Length (A) of H-bonds formed by water molecules with occupancies, B-factors (A^2) and symmetry codes
 
Water Wat_occ Wat_bf Atom Residue Distance  occ     bf               symm

Wat1     1.00  4.39  NH1 ARG17    2.875     1.00   3.88               x,y,z
                     O ASP43:A    2.883     0.52   3.64             x-1,y,z
                     O ASP43:B    2.9       0.48   3.18             x-1,y,z
                     O HOH5       2.717     0.92   5.21               x,y,z
                     O HOH7       2.759     1.00   6.82             x-1,y,z
Wat2     0.93  4.16  O LEU18      2.79      1.00   2.10               x,y,z
                     N VAL8:A     3.061     0.45   2.12             x-1,y,z
                     N VAL8:B     3.081     0.40   2.51             x-1,y,z
                     N VAL8:C     2.982     0.15   2.12             x-1,y,z
                     O HOH11:A    2.753     0.66   5.43             x-1,y,z
                     O HOH20      2.85      0.80   9.19     -x-1,y+1/2,-z-1
Wat3     1.00 10.35  O PRO5       2.914     1.00   3.97               x,y,z
                     O ASP43:B    3.279     0.48   3.18               x,y,z
                     N ALA45      2.929     1.00   1.94               x,y,z
                     OD1 ASN46    3.241     1.00   9.82               x,y,z
                     O HOH38      2.809     0.64  13.77               x,y,z
Wat4     1.00  5.36  O ALA24      2.859     1.00   2.21               x,y,z
                     O SER11      2.854     1.00   2.05             x,y-1,z
                     O HOH14      2.717     1.00  10.08             x,y-1,z
Wat5     0.92  5.21  O GLY20      2.789     1.00   4.44               x,y,z
                     OH TYR44     3.371     1.00   4.88             x-1,y,z
                     O HOH8:A     2.843     0.63   4.50             x-1,y,z
                     O HOH8:B     3.158     0.37  25.91             x-1,y,z
Wat6     0.80  5.58  OG1 THR21    2.875     1.00   2.33               x,y,z
                     OG1 THR28    2.84      1.00   3.47     -x-1,y+1/2,-z-1
                     O HOH51      2.791     0.74  29.48   -x-1,y+1/2-1,-z-1
                     O HOH52      2.945     0.26  22.35   -x-1,y+1/2-1,-z-1
Wat7     1.00  6.82  OD2 ASP43:A  3.277     0.52  15.19               x,y,z
                     OD2 ASP43:B  2.844     0.48   4.36               x,y,z
                     N GLU23      3.006     1.00   1.40             x+1,y,z
                     O HOH27      3.369     0.82  12.22               x,y,z
                     O HOH16:A    3.011     0.41   5.83             x+1,y,z
                     O HOH16:B    3.108     0.53  11.77             x+1,y,z
                     O HOH29:B    2.921     0.35  16.93             x+1,y,z
Wat8:A   0.63  4.50  O GLY31      2.807     1.00   3.21               x,y,z
                     OH TYR44     2.704     1.00   4.88               x,y,z
                     O HOH8:B     0.463     0.37  25.91               x,y,z
                     O HOH71      2.691     1.00  60.46     -x,y+1/2-1,-z-1
Wat8:B   0.37 25.91  O GLY31      2.556     1.00   3.21               x,y,z
                     OH TYR44     3.125     1.00   4.88               x,y,z
                     O HOH71      2.588     1.00  60.46     -x,y+1/2-1,-z-1
Wat9     0.96 12.48  N GLY37:A    3.008     0.48   6.54         -x,y+0.5,-z
                     N GLY37:B    2.85      0.52   4.30         -x,y+0.5,-z
                     O CYS40      2.771     1.00   6.54               x,y,z
                     O HOH33:A    2.718     0.25  10.55               x,y,z
                     O HOH33:B    3.007     0.71  13.48               x,y,z
Wat10    0.86  7.24  O ASN14      2.796     1.00   2.75               x,y,z
                     O HOH23      2.785     0.68   9.88               x,y,z
                     O HOH25      2.807     0.70  10.36               x,y,z
                     O HOH36      2.85      0.78  17.00               x,y,z
Wat11:A  0.66  5.43  N ILE7:A     3.049     0.64   1.63               x,y,z
                     N ILE7:B     3.012     0.36   1.73               x,y,z
                     O HOH11:B    0.909     0.34  16.18               x,y,z
                     O HOH21      2.766     0.66   8.48             x,y+1,z
                     O HOH25      2.742     0.70  10.36             x+1,y,z
Wat11:B  0.34 16.18  N ILE7:A     2.942     0.64   1.63               x,y,z
                     N ILE7:B     2.935     0.36   1.73               x,y,z
                     O HOH21      3.053     0.66   8.48             x,y+1,z
                     O HOH25      2.761     0.70  10.36             x+1,y,z
Wat12    0.75  6.69  OG SER11     2.809     1.00   5.53               x,y,z
                     N ILE34      3.088     1.00   2.65             x,y+1,z
                     O HOH14      2.791     1.00  10.08               x,y,z
                     O HOH18:A    2.808     0.61   8.79             x,y+1,z
                     O HOH18:B    2.605     0.39  12.51             x,y+1,z
Wat13    1.00  9.32  N ALA38      3.21      1.00   4.61               x,y,z
                     N THR39:A    3.005     0.64   3.56               x,y,z
                     N THR39:B    3.057     0.36   6.91               x,y,z
                     O THR39:B    3.318     0.36   6.22               x,y,z
                     O ALA45      3.184     1.00   3.51       -x,y+1/2-1,-z
                     O HOH26:A    2.829     0.59   4.23       -x,y+1/2-1,-z
                     O HOH26:B    2.751     0.41  17.61       -x,y+1/2-1,-z
                     O HOH33:A    3.271     0.25  10.55       -x,y+1/2-1,-z
                     O HOH73      3.317     1.00  38.73       -x,y+1/2-1,-z
Wat14    1.00 10.08  ND2 ASN14    2.767     1.00   5.99               x,y,z
Wat15    0.74  7.64  NH1 ARG10:A  2.895     0.52   4.55               x,y,z
                     NH1 ARG10:B  2.809     0.48  10.64               x,y,z
                     OD1 ASN14    2.694     1.00   7.42               x,y,z
                     O HOH57:B    2.937     0.27  11.12               x,y,z
                     O HOH57:C    2.767     0.42  16.41               x,y,z
Wat16:A  0.41  5.83  OG PRO22:C   2.241     0.33  11.73               x,y,z
                     N GLU23      3.295     1.00   1.40               x,y,z
                     N ALA24      2.89      1.00   1.39               x,y,z
                     O HOH16:B    0.753     0.53  11.77               x,y,z
                     O HOH29:B    3.366     0.35  16.93               x,y,z
                     O HOH23      2.879     0.68   9.88             x,y-1,z
Wat16:B  0.53 11.77  OG PRO22:C   2.973     0.33  11.73               x,y,z
                     N ALA24      2.977     1.00   1.39               x,y,z
                     O HOH29:A    3.396     0.51   9.67               x,y,z
                     O HOH29:B    2.798     0.35  16.93               x,y,z
                     O HOH23      2.643     0.68   9.88             x,y-1,z
Wat17    0.85 12.03  OG SER11     2.724     1.00   5.53               x,y,z
                     O CYS32      2.802     1.00   3.13             x,y+1,z
                     O HOH69      2.684     0.40  26.10               x,y,z
Wat18:A  0.61  8.79  O ILE34      2.951     1.00   5.37               x,y,z
                     O HOH18:B    1.617     0.39  12.51               x,y,z
                     O HOH44:A    3.063     0.32  16.56               x,y,z
                     O HOH32:A    2.676     0.47  17.06       -x,y+1/2-1,-z
                     O HOH32:B    2.779     0.53  27.10       -x,y+1/2-1,-z
Wat18:B  0.39 12.51  O ILE7:A     3.307     0.64   3.96             x,y-1,z
                     O ILE7:B     3.258     0.36   2.01             x,y-1,z
                     O HOH32:A    3.063     0.47  17.06       -x,y+1/2-1,-z
                     O HOH32:B    3.338     0.53  27.10       -x,y+1/2-1,-z
Wat19    0.67  7.06  ND2 ASN12    3.185     1.00   8.83               x,y,z
                     O THR30      2.997     1.00   5.41               x,y,z
                     O HOH48      3.392     1.00  40.43               x,y,z
                     O HOH35      2.803     0.85  18.43             x+1,y,z
Wat20    0.80  9.19  OH TYR29:B   2.588     0.23  14.70               x,y,z
                     OH TYR29:C   2.82      0.41   8.06               x,y,z
                     O HOH71      3.028     1.00  60.46               x,y,z
                     O HOH27      2.881     0.82  12.22       -x,y+1/2,-z-1
Wat21    0.66  8.48  O HOH27      2.785     0.82  12.22               x,y,z
                     O HOH34      2.767     0.74  14.91               x,y,z
Wat22:A  0.39  9.25  O PRO5       2.844     1.00   3.97               x,y,z
                     O HOH22:B    1.023     0.29  10.35               x,y,z
                     O HOH25      2.66      0.70  10.36             x+1,y,z
                     O HOH30:B    2.868     0.43  19.13             x+1,y,z
Wat22:B  0.29 10.35  O PRO5       2.667     1.00   3.97               x,y,z
                     O ARG17      2.991     1.00   2.67             x+1,y,z
                     O HOH25      2.353     0.70  10.36             x+1,y,z
Wat24    0.65  9.68  O ILE34      2.835     1.00   5.37               x,y,z
                     ND2 ASN14    2.999     1.00   5.99             x,y-1,z
                     O HOH44:A    2.805     0.32  16.56               x,y,z
                     O HOH44:B    2.933     0.68  40.76               x,y,z
Wat25    0.70 10.36  O ARG17      3.2       1.00   2.67               x,y,z
Wat26:A  0.59  4.23  O TYR44      2.855     1.00   3.12               x,y,z
                     O ALA45      3.243     1.00   3.51               x,y,z
                     N ASN46      3.312     1.00   2.05               x,y,z
                     O ASN46      2.802     1.00   3.14               x,y,z
                     O HOH26:B    0.636     0.41  17.61               x,y,z
                     O HOH31      3.187     1.00  26.58               x,y,z
Wat26:B  0.41 17.61  O ASN46      2.809     1.00   3.14               x,y,z
                     O HOH31      2.666     1.00  26.58               x,y,z
Wat27    0.82 12.22  OH TYR44     2.82      1.00   4.88               x,y,z
Wat29:A  0.51  9.67  OE2 GLU23    2.576     1.00   8.28               x,y,z
                     OD2 ASP43:A  2.96      0.52  15.19             x-1,y,z
                     OD2 ASP43:B  2.865     0.48   4.36             x-1,y,z
                     O HOH29:B    0.92      0.35  16.93               x,y,z
Wat29:B  0.35 16.93  OE2 GLU23    3.003     1.00   8.28               x,y,z
                     OD2 ASP43:A  2.527     0.52  15.19             x-1,y,z
                     OD2 ASP43:B  2.341     0.48   4.36             x-1,y,z
Wat30:A  0.57 10.95  NE ARG17     2.912     1.00   2.34               x,y,z
                     NH2 ARG17    3.284     1.00   3.66               x,y,z
                     OE1 GLU23    2.695     1.00  10.92               x,y,z
                     O HOH30:B    2.168     0.43  19.13               x,y,z
                     O HOH57:A    3.152     0.31  14.03               x,y,z
                     O HOH57:B    2.922     0.27  11.12               x,y,z
                     O HOH57:C    2.78      0.42  16.41               x,y,z
                     O HOH38      3.337     0.64  13.77             x-1,y,z
Wat30:B  0.43 19.13  NE ARG17     2.932     1.00   2.34               x,y,z
                     O HOH36      2.676     0.78  17.00               x,y,z
                     O HOH57:C    3.247     0.42  16.41               x,y,z
                     O HOH38      3.17      0.64  13.77             x-1,y,z
Wat31    1.00 26.58  O THR2:A     3.139     0.66   3.96               x,y,z
                     O THR2:B     3.01      0.34   3.72               x,y,z
                     NH2 ARG10:B  3.321     0.48   8.36               x,y,z
                     SG CYS40     3.384     1.00   4.45               x,y,z
                     O HOH73      2.927     1.00  38.73               x,y,z
Wat32:A  0.47 17.06  OTX ASN46    2.744     1.00   5.16       -x,y+1/2-1,-z
                     O HOH32:B    0.397     0.53  27.10               x,y,z
                     O HOH44:A    3.041     0.32  16.56         -x,y+0.5,-z
Wat32:B  0.53 27.10  OTX ASN46    2.749     1.00   5.16       -x,y+1/2-1,-z
                     O HOH44:A    2.755     0.32  16.56         -x,y+0.5,-z
Wat33:A  0.25 10.55  N CYS40      3.15      1.00   3.87               x,y,z
                     O HOH33:B    0.781     0.71  13.48               x,y,z
                     O HOH73      2.354     1.00  38.73               x,y,z
Wat33:B  0.71 13.48  O ALA38      2.952     1.00  10.27               x,y,z
                     N CYS40      2.871     1.00   3.87               x,y,z
                     O HOH73      2.787     1.00  38.73               x,y,z
Wat34    0.74 14.91  OD2 ASP43:A  2.572     0.52  15.19               x,y,z
                     OD2 ASP43:B  2.811     0.48   4.36               x,y,z
                     O HOH39      2.734     0.72  36.57               x,y,z
Wat35    0.85 18.43  O PRO19:A    2.763     0.67   5.51               x,y,z
                     O PRO19:B    2.873     0.33  12.99               x,y,z
                     O THR28      2.997     1.00   5.17     -x-1,y+1/2,-z-1
Wat36    0.78 17.00  OD1 ASN14    2.884     1.00   7.42               x,y,z
Wat37    0.85 20.57  N GLY42      2.872     1.00   5.61               x,y,z
Wat38    0.64 13.77  O GLY42      2.895     1.00   6.75               x,y,z
                     NH2 ARG17    3.155     1.00   3.66             x+1,y,z
Wat39    0.72 36.57  OD1 ASP43:A  2.744     0.52   8.13               x,y,z
                     OD2 ASP43:A  3.246     0.52  15.19               x,y,z
                     OD1 ASP43:B  2.772     0.48   4.59               x,y,z
Wat40    0.77 22.17  N THR1:A     2.803     0.71   6.12               x,y,z
                     OE2 GLU23    2.753     1.00   8.28               x,y,z
                     O HOH53:A    3.38      0.65  31.03               x,y,z
                     O HOH53:B    2.949     0.35  16.62               x,y,z
Wat41    0.55 15.20  O PRO19:A    2.89      0.67   5.51               x,y,z
                     O PRO19:B    3.094     0.33  12.99               x,y,z
                     O THR30      2.823     1.00   5.41             x-1,y,z
                     O HOH52      2.881     0.26  22.35   -x-1,y+1/2-1,-z-1
Wat42    0.74 22.53  OG1 THR1:B   2.65      0.29  12.81               x,y,z
                     N THR2:A     2.934     0.66   2.79               x,y,z
                     OG1 THR2:A   3.223     0.66   6.56               x,y,z
                     N THR2:B     2.978     0.34   4.97               x,y,z
                     O HOH53:B    3.116     0.35  16.62               x,y,z
                     O HOH57:A    2.688     0.31  14.03               x,y,z
Wat44:A  0.32 16.56  O ILE34      2.828     1.00   5.37               x,y,z
                     O HOH44:B    1.936     0.68  40.76               x,y,z
Wat44:B  0.68 40.76  NE ARG10:B   3.346     0.48   1.90             x,y-1,z
Wat45    1.00 42.26  O HOH48      2.387     1.00  40.43               x,y,z
                     O HOH71      2.93      1.00  60.46               x,y,z
                     O HOH69      3.16      0.40  26.10     -x,y+1/2-1,-z-1
Wat46:A  0.65 22.17  OH TYR29:A   2.028     0.36  26.83               x,y,z
                     OH TYR29:B   3.048     0.23  14.70               x,y,z
                     OH TYR29:C   2.951     0.41   8.06               x,y,z
                     N PRO22:A    2.798     0.31   1.86     -x-1,y+1/2,-z-1
                     N PRO22:B    2.873     0.36   0.62     -x-1,y+1/2,-z-1
                     N PRO22:C    2.916     0.33   1.23     -x-1,y+1/2,-z-1
                     O HOH81      2.664     1.00  46.80               x,y,z
Wat46:B  0.35 23.35  O ASN12      3.015     1.00   2.23               x,y,z
                     OH TYR29:A   3.126     0.36  26.83               x,y,z
                     O HOH51      3.084     0.74  29.48               x,y,z
                     O HOH81      1.385     1.00  46.80               x,y,z
Wat47    0.79 38.46  N THR1:A     2.84      0.71   6.12               x,y,z
                     OG1 THR1:A   3.059     0.71   8.59               x,y,z
                     N THR1:B     2.77      0.29   6.30               x,y,z
                     O PRO36      3.392     0.93   8.74               x,y,z
Wat48    1.00 40.43  O TYR29:A    3.043     0.36   4.93               x,y,z
                     O TYR29:B    3.176     0.23   4.14               x,y,z
                     O TYR29:C    2.924     0.41   3.44               x,y,z
Wat49:A  0.43 20.69  OD1 ASN12    2.815     1.00   9.83               x,y,z
                     O HOH49:B    2.191     0.29  23.20               x,y,z
                     O HOH52      2.797     0.26  22.35               x,y,z
Wat49:B  0.29 23.20  OD1 ASN12    3.09      1.00   9.83               x,y,z
                     O HOH69      2.914     0.40  26.10               x,y,z
Wat50    1.00 43.41  ND2 ASN46    3.033     1.00   7.75               x,y,z
Wat51    0.74 29.48  OD1 ASN12    2.848     1.00   9.83               x,y,z
                     O HOH52      3.181     0.26  22.35               x,y,z
                     O HOH81      2.169     1.00  46.80               x,y,z
Wat52    0.26 22.35  O PRO19:A    3.067     0.67   5.51     -x-1,y+1/2,-z-1
                     O PRO19:B    3.223     0.33  12.99     -x-1,y+1/2,-z-1
Wat53:A  0.65 31.03  OE1 GLU23    2.732     1.00  10.92               x,y,z
                     O HOH53:B    1.2       0.35  16.62               x,y,z
Wat53:B  0.35 16.62  OE1 GLU23    2.625     1.00  10.92               x,y,z
                     O HOH57:A    2.452     0.31  14.03               x,y,z
Wat56    0.48 22.80  O PRO36      2.833     0.93   8.74               x,y,z
Wat57:A  0.31 14.03  OG1 THR2:A   2.699     0.66   6.56               x,y,z
                     OG1 THR2:B   2.431     0.34   9.82               x,y,z
                     OE1 GLU23    2.934     1.00  10.92               x,y,z
                     O HOH57:B    1.756     0.27  11.12               x,y,z
                     O HOH57:C    2.719     0.42  16.41               x,y,z
Wat57:B  0.27 11.12  OG1 THR2:A   2.92      0.66   6.56               x,y,z
                     OG1 THR2:B   3.3       0.34   9.82               x,y,z
                     O HOH57:C    1.398     0.42  16.41               x,y,z
Wat71    1.00 60.46  OH TYR29:B   3.305     0.23  14.70               x,y,z
Wat73    1.00 38.73  O THR39:A    2.688     0.64   6.60         -x,y+0.5,-z
                     O THR39:B    2.855     0.36   6.22         -x,y+0.5,-z
Wat81    1.00 46.80  OH TYR29:A   2.887     0.36  26.83               x,y,z

