Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
	#0 1dug_A.cif

H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
ILE 3.A N      ILE 58.A O     no hydrogen  2.720  N/A
LEU 4.A N      GLU 28.A O     no hydrogen  2.847  N/A
GLY 5.A N      TYR 56.A O     no hydrogen  2.854  N/A
TYR 6.A N      HIS 30.A O     no hydrogen  3.135  N/A
LYS 8.A N      TYR 32.A O     no hydrogen  2.803  N/A
LYS 10.A N     PRO 201.A O    no hydrogen  2.983  N/A
LYS 10.A NZ    ASP 159.A OD2  no hydrogen  2.682  N/A
LYS 10.A NZ    TYR 197.A OH   no hydrogen  3.022  N/A
LYS 10.A NZ    ALA 199.A O    no hydrogen  3.105  N/A
GLY 11.A N     LEU 202.A O    no hydrogen  2.876  N/A
LEU 12.A N     TYR 6.A OH     no hydrogen  3.262  N/A
GLN 14.A N     LYS 10.A O     no hydrogen  3.173  N/A
ARG 17.A N     VAL 13.A O     no hydrogen  3.045  N/A
ARG 17.A NE    GLU 29.A OE2   no hydrogen  2.704  N/A
ARG 17.A NH1   ILE 9.A O      no hydrogen  2.780  N/A
ARG 17.A NH1   GLN 14.A OE1   no hydrogen  3.119  N/A
ARG 17.A NH2   TRP 7.A O      no hydrogen  3.374  N/A
ARG 17.A NH2   ILE 9.A O      no hydrogen  3.324  N/A
LEU 18.A N     GLN 14.A O     no hydrogen  2.971  N/A
LEU 19.A N     PRO 15.A O     no hydrogen  2.947  N/A
LEU 20.A N     THR 16.A O     no hydrogen  3.002  N/A
GLU 21.A N     ARG 17.A O     no hydrogen  3.061  N/A
TYR 22.A N     LEU 18.A O     no hydrogen  2.937  N/A
LEU 23.A N     LEU 19.A O     no hydrogen  2.961  N/A
GLU 24.A N     GLU 21.A O     no hydrogen  3.052  N/A
GLU 25.A N     LEU 20.A O     no hydrogen  3.088  N/A
TYR 27.A OH    GLU 21.A OE2   no hydrogen  2.738  N/A
GLU 28.A N     PRO 2.A O      no hydrogen  2.899  N/A
HIS 30.A N     LEU 4.A O      no hydrogen  3.004  N/A
TYR 32.A N     TYR 6.A O      no hydrogen  2.972  N/A
TYR 32.A OH    TYR 56.A OH    no hydrogen  2.904  N/A
GLU 33.A N     GLU 36.A OE1   no hydrogen  2.700  N/A
ARG 34.A NH2   ASP 213.A OD1  no hydrogen  3.133  N/A
ARG 34.A NH2   ASP 213.A OD2  no hydrogen  3.019  N/A
GLU 36.A N     GLU 33.A O     no hydrogen  2.920  N/A
LYS 39.A NZ    GLU 36.A OE2   no hydrogen  2.476  N/A
TRP 40.A N     GLU 36.A O     no hydrogen  3.153  N/A
ARG 41.A N     GLY 37.A O     no hydrogen  3.010  N/A
ARG 41.A NE    ASP 38.A OD1   no hydrogen  3.481  N/A
ARG 41.A NH2   ASP 38.A OD2   no hydrogen  3.282  N/A
ASN 42.A N     ASP 38.A O     no hydrogen  2.910  N/A
LYS 43.A N     TRP 40.A O     no hydrogen  2.958  N/A
LYS 44.A N     TRP 40.A O     no hydrogen  2.680  N/A
GLU 46.A N     LYS 43.A O     no hydrogen  2.711  N/A
LEU 54.A N     ASN 53.A OD1   no hydrogen  2.745  N/A
TYR 56.A N     GLY 5.A O      no hydrogen  3.060  N/A
TYR 56.A OH    TYR 32.A OH    no hydrogen  2.904  N/A
TYR 57.A N     LEU 64.A O     no hydrogen  2.838  N/A
TYR 57.A OH    GLU 25.A OE2   no hydrogen  3.359  N/A
ILE 58.A N     ILE 3.A O      no hydrogen  2.891  N/A
ASP 59.A N     VAL 62.A O     no hydrogen  3.009  N/A
ASP 61.A N     ASP 59.A OD1   no hydrogen  2.436  N/A
VAL 62.A N     ASP 59.A OD1   no hydrogen  2.676  N/A
LEU 64.A N     TYR 57.A O     no hydrogen  2.782  N/A
THR 65.A OG1   PHE 51.A O     no hydrogen  2.703  N/A
ILE 70.A N     GLN 66.A O     no hydrogen  3.051  N/A
ILE 71.A N     SER 67.A O     no hydrogen  3.043  N/A
ARG 72.A N     MET 68.A O     no hydrogen  3.007  N/A
ARG 72.A NE    GLU 95.A OE1   no hydrogen  3.212  N/A
ARG 72.A NE    GLU 95.A OE2   no hydrogen  3.259  N/A
ARG 72.A NH2   GLU 95.A OE2   no hydrogen  2.550  N/A
TYR 73.A N     ALA 69.A O     no hydrogen  2.867  N/A
ILE 74.A N     ILE 70.A O     no hydrogen  3.061  N/A
ALA 75.A N     ILE 71.A O     no hydrogen  2.985  N/A
ASP 76.A N     ARG 72.A O     no hydrogen  2.652  N/A
LYS 77.A N     TYR 73.A O     no hydrogen  2.956  N/A
HIS 78.A N     ALA 75.A O     no hydrogen  2.988  N/A
HIS 78.A NE2   GLU 25.A OE1   no hydrogen  3.035  N/A
ASN 79.A N     ASP 76.A O     no hydrogen  3.094  N/A
MET 80.A N     ALA 75.A O     no hydrogen  2.935  N/A
GLY 83.A N     GLU 87.A OE2   no hydrogen  2.935  N/A
ARG 88.A N     CYS 84.A O     no hydrogen  2.847  N/A
ARG 88.A NH1   GLY 82.A O     no hydrogen  3.092  N/A
ALA 89.A N     PRO 85.A O     no hydrogen  2.860  N/A
GLU 90.A N     LYS 86.A O     no hydrogen  3.053  N/A
ILE 91.A N     GLU 87.A O     no hydrogen  3.072  N/A
SER 92.A N     ARG 88.A O     no hydrogen  3.032  N/A
SER 92.A OG    ARG 88.A O     no hydrogen  3.241  N/A
MET 93.A N     ALA 89.A O     no hydrogen  2.767  N/A
LEU 94.A N     GLU 90.A O     no hydrogen  2.944  N/A
GLU 95.A N     ILE 91.A O     no hydrogen  2.873  N/A
GLY 96.A N     SER 92.A O     no hydrogen  2.927  N/A
ALA 97.A N     MET 93.A O     no hydrogen  2.898  N/A
VAL 98.A N     LEU 94.A O     no hydrogen  2.994  N/A
LEU 99.A N     GLU 95.A O     no hydrogen  3.116  N/A
ASP 100.A N    GLY 96.A O     no hydrogen  3.086  N/A
ILE 101.A N    VAL 98.A O     no hydrogen  3.025  N/A
ARG 102.A N    VAL 98.A O     no hydrogen  2.952  N/A
ARG 102.A NE   ASP 156.A OD2  no hydrogen  3.076  N/A
ARG 102.A NH1  ARG 102.A O    no hydrogen  3.104  N/A
ARG 102.A NH1  GLN 203.A OE1  no hydrogen  2.853  N/A
ARG 102.A NH2  GLN 203.A OE1  no hydrogen  3.057  N/A
TYR 103.A N    LEU 99.A O     no hydrogen  2.735  N/A
VAL 105.A N    ILE 101.A O    no hydrogen  3.142  N/A
SER 106.A N    ARG 102.A O    no hydrogen  3.205  N/A
SER 106.A OG   ARG 102.A O    no hydrogen  3.430  N/A
SER 106.A OG   GLN 203.A OE1  no hydrogen  3.385  N/A
ARG 107.A N    TYR 103.A O    no hydrogen  2.797  N/A
ILE 108.A N    VAL 105.A O    no hydrogen  3.064  N/A
ALA 109.A N    VAL 105.A O    no hydrogen  2.939  N/A
SER 111.A N    ILE 108.A O    no hydrogen  3.209  N/A
ASP 113.A N    SER 111.A OG   no hydrogen  3.114  N/A
PHE 114.A N    SER 111.A O    no hydrogen  3.161  N/A
THR 116.A N    ASP 113.A O    no hydrogen  2.980  N/A
THR 116.A OG1  ASP 113.A O    no hydrogen  2.775  N/A
LEU 117.A N    ASP 113.A O    no hydrogen  2.920  N/A
LYS 118.A N    PHE 114.A O    no hydrogen  2.809  N/A
LYS 118.A NZ   GLU 115.A OE1  no hydrogen  3.196  N/A
VAL 119.A N    THR 116.A O    no hydrogen  2.979  N/A
PHE 121.A N    LEU 117.A O    no hydrogen  3.510  N/A
LEU 122.A N    LYS 118.A O    no hydrogen  2.765  N/A
SER 123.A N    VAL 119.A O    no hydrogen  3.062  N/A
SER 123.A N    ASP 120.A O    no hydrogen  3.246  N/A
LYS 124.A N    ASP 120.A O    no hydrogen  3.300  N/A
LYS 124.A N    PHE 121.A O    no hydrogen  3.161  N/A
LYS 124.A NZ   ASP 120.A OD1  no hydrogen  3.200  N/A
LEU 125.A N    PHE 121.A O    no hydrogen  2.914  N/A
MET 128.A N    LYS 124.A O    no hydrogen  3.444  N/A
LEU 129.A N    LEU 125.A O    no hydrogen  2.867  N/A
LYS 130.A N    PRO 126.A O    no hydrogen  2.873  N/A
LYS 130.A NZ   ASP 134.A OD2  no hydrogen  2.984  N/A
MET 131.A N    GLU 127.A O    no hydrogen  3.378  N/A
MET 131.A N    MET 128.A O    no hydrogen  3.237  N/A
GLU 133.A N    LEU 129.A O    no hydrogen  2.942  N/A
ASP 134.A N    LYS 130.A O    no hydrogen  2.875  N/A
ARG 135.A N    MET 131.A O    no hydrogen  3.063  N/A
ARG 135.A NE   LEU 142.A O    no hydrogen  2.761  N/A
ARG 135.A NH2  LEU 142.A O    no hydrogen  3.069  N/A
LEU 136.A N    PHE 132.A O    no hydrogen  2.977  N/A
CYS 137.A N    ASP 134.A O    no hydrogen  3.011  N/A
LYS 139.A N    LEU 136.A O    no hydrogen  3.113  N/A
LYS 139.A NZ   ARG 135.A O    no hydrogen  3.352  N/A
TYR 141.A N    GLY 144.A O    no hydrogen  2.897  N/A
LEU 142.A N    ASP 151.A OD1  no hydrogen  2.886  N/A
ASN 143.A ND2  GLU 87.A OE1   no hydrogen  3.050  N/A
GLY 144.A N    TYR 141.A O    no hydrogen  2.982  N/A
THR 148.A N    ASP 151.A OD2  no hydrogen  2.924  N/A
THR 148.A OG1  ASP 151.A OD2  no hydrogen  3.544  N/A
HIS 149.A NE2  GLU 95.A OE1   no hydrogen  2.755  N/A
ASP 151.A N    THR 148.A O    no hydrogen  3.042  N/A
PHE 152.A N    HIS 149.A O    no hydrogen  3.033  N/A
MET 153.A N    HIS 149.A O    no hydrogen  3.162  N/A
LEU 154.A N    PRO 150.A O    no hydrogen  2.802  N/A
TYR 155.A N    ASP 151.A O    no hydrogen  2.929  N/A
TYR 155.A OH   GLU 183.A OE2  no hydrogen  2.636  N/A
ASP 156.A N    PHE 152.A O    no hydrogen  3.086  N/A
ALA 157.A N    MET 153.A O    no hydrogen  2.936  N/A
LEU 158.A N    LEU 154.A O    no hydrogen  2.858  N/A
ASP 159.A N    TYR 155.A O    no hydrogen  2.931  N/A
VAL 160.A N    ASP 156.A O    no hydrogen  3.006  N/A
VAL 161.A N    ALA 157.A O    no hydrogen  2.879  N/A
LEU 162.A N    LEU 158.A O    no hydrogen  3.031  N/A
TYR 163.A N    VAL 160.A O    no hydrogen  3.075  N/A
ASP 165.A N    VAL 161.A O    no hydrogen  2.754  N/A
MET 167.A N    ASP 165.A OD2  no hydrogen  3.154  N/A
CYS 168.A N    ASP 165.A O    no hydrogen  2.892  N/A
CYS 168.A SG   ASP 165.A O    no hydrogen  3.228  N/A
ASP 170.A N    MET 167.A O    no hydrogen  3.041  N/A
PHE 172.A N    LEU 169.A O    no hydrogen  2.947  N/A
LYS 174.A N    GLU 133.A OE2  no hydrogen  2.815  N/A
LEU 175.A N    GLU 133.A OE1  no hydrogen  2.988  N/A
VAL 176.A N    PHE 172.A O    no hydrogen  3.108  N/A
CYS 177.A N    PRO 173.A O    no hydrogen  2.918  N/A
PHE 178.A N    LYS 174.A O    no hydrogen  2.699  N/A
LYS 179.A N    LEU 175.A O    no hydrogen  2.901  N/A
LYS 179.A NZ   GLU 183.A OE2  no hydrogen  2.676  N/A
LYS 180.A N    VAL 176.A O    no hydrogen  3.101  N/A
ARG 181.A N    CYS 177.A O    no hydrogen  2.931  N/A
ILE 182.A N    PHE 178.A O    no hydrogen  3.005  N/A
GLU 183.A N    LYS 179.A O    no hydrogen  3.158  N/A
ALA 184.A N    ARG 181.A O    no hydrogen  3.118  N/A
ILE 185.A N    ILE 182.A O    no hydrogen  3.099  N/A
ILE 188.A N    ILE 185.A O    no hydrogen  2.888  N/A
ASP 189.A N    ILE 185.A O    no hydrogen  2.873  N/A
LYS 190.A N    PRO 186.A O    no hydrogen  3.045  N/A
TYR 191.A N    GLN 187.A O    no hydrogen  3.118  N/A
LEU 192.A N    ILE 188.A O    no hydrogen  2.827  N/A
LYS 193.A N    ASP 189.A O    no hydrogen  3.173  N/A
LYS 193.A N    LYS 190.A O    no hydrogen  3.235  N/A
SER 194.A N    TYR 191.A O    no hydrogen  2.920  N/A
SER 194.A OG   TYR 191.A O    no hydrogen  2.638  N/A
LYS 196.A N    SER 194.A OG   no hydrogen  3.426  N/A
TRP 200.A NE1  GLY 211.A O    no hydrogen  2.829  N/A
LEU 202.A N    GLY 210.A O    no hydrogen  2.939  N/A
GLN 203.A N    GLY 210.A O    no hydrogen  2.982  N/A
GLN 203.A NE2  SER 106.A OG   no hydrogen  3.153  N/A
GLY 204.A N    TYR 110.A OH   no hydrogen  2.789  N/A
GLN 206.A N    GLN 206.A OE1  no hydrogen  2.617  N/A
ALA 207.A N    GLY 204.A O    no hydrogen  2.921  N/A
THR 208.A N    ALA 109.A O    no hydrogen  2.790  N/A
THR 208.A OG1  SER 111.A O    no hydrogen  2.861  N/A
PHE 209.A N    ALA 109.A O    no hydrogen  3.057  N/A
GLY 212.A N    TRP 205.A O    no hydrogen  2.848  N/A
ASP 219.A N    LYS 217.A O    no hydrogen  2.614  N/A
HIS 224.A ND1  GLU 183.A OE1  no hydrogen  2.620  N/A
GLY 226.A N    LEU 192.A O    no hydrogen  2.388  N/A
LYS 229.A NZ   TYR 163.A OH   no hydrogen  3.474  N/A