Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4whs_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A N ARG 229.A O no hydrogen 2.786 N/A ARG 7.A NE GLU 234.A OE2 no hydrogen 2.909 N/A ARG 7.A NH1 ASP 4.A OD1 no hydrogen 2.771 N/A ARG 7.A NH1 ASP 4.A OD2 no hydrogen 3.393 N/A ARG 7.A NH1 SER 6.A O no hydrogen 2.804 N/A ARG 7.A NH2 ASP 4.A OD2 no hydrogen 3.082 N/A ARG 7.A NH2 GLU 234.A OE1 no hydrogen 2.932 N/A PHE 8.A N GLN 41.A OE1 no hydrogen 2.878 N/A VAL 9.A N GLY 227.A O no hydrogen 2.870 N/A ARG 11.A NH2 LYS 172.A O no hydrogen 3.139 N/A ASN 14.A N ASP 12.A OD1 no hydrogen 2.965 N/A TRP 15.A N ASP 12.A O no hydrogen 3.035 N/A HIS 16.A N ASP 12.A O no hydrogen 3.195 N/A THR 21.A N SER 27.A OG no hydrogen 3.122 N/A THR 21.A OG1 THR 21.A O no hydrogen 2.730 N/A THR 21.A OG1 SER 27.A OG no hydrogen 3.374 N/A TYR 24.A N THR 21.A O no hydrogen 2.879 N/A LYS 25.A N ASN 150.A OD1 no hydrogen 2.989 N/A LYS 25.A NZ ASN 150.A O no hydrogen 2.944 N/A SER 27.A N TYR 24.A O no hydrogen 2.963 N/A SER 27.A OG THR 21.A O no hydrogen 2.883 N/A SER 27.A OG THR 21.A OG1 no hydrogen 3.374 N/A SER 27.A OG TYR 24.A O no hydrogen 2.843 N/A ILE 28.A N LYS 25.A O no hydrogen 3.060 N/A ARG 30.A N SER 27.A O no hydrogen 3.325 N/A SER 31.A OG SER 27.A O no hydrogen 2.731 N/A SER 31.A OG ILE 28.A O no hydrogen 3.232 N/A ARG 33.A NH1 SER 31.A OG no hydrogen 2.783 N/A ARG 33.A NH2 ILE 28.A O no hydrogen 2.987 N/A GLN 41.A NE2 PHE 8.A O no hydrogen 2.878 N/A SER 42.A N GLU 45.A OE1 no hydrogen 2.889 N/A SER 42.A OG GLU 45.A OE1 no hydrogen 2.632 N/A SER 44.A N SER 42.A OG no hydrogen 3.104 N/A GLU 45.A N SER 42.A O no hydrogen 2.945 N/A THR 46.A N SER 42.A O no hydrogen 3.024 N/A THR 46.A OG1 ASP 4.A OD1 no hydrogen 2.703 N/A THR 46.A OG1 SER 42.A O no hydrogen 3.256 N/A THR 47.A OG1 ILE 43.A O no hydrogen 2.670 N/A ASN 50.A ND2 ASN 94.A O no hydrogen 3.381 N/A SER 52.A N ASN 50.A OD1 no hydrogen 3.036 N/A SER 52.A OG ASN 50.A OD1 no hydrogen 2.784 N/A LEU 54.A N PHE 51.A O no hydrogen 3.052 N/A GLY 57.A N ASP 60.A OD2 no hydrogen 2.933 N/A ASP 60.A N GLY 57.A O no hydrogen 3.138 N/A ASP 62.A N HIS 59.A O no hydrogen 2.909 N/A LEU 63.A N ARG 139.A O no hydrogen 2.790 N/A LEU 64.A N.A ASP 62.A OD1 no hydrogen 3.131 N/A LEU 64.A N.B ASP 62.A OD1 no hydrogen 3.127 N/A LEU 65.A N ASP 62.A O no hydrogen 3.112 N/A ASN 66.A N ASP 62.A O no hydrogen 3.000 N/A ASN 66.A ND2 HIS 59.A O no hydrogen 3.328 N/A ASN 66.A ND2 ASP 60.A O no hydrogen 3.586 N/A ASN 66.A ND2 VAL 126.A O.A no hydrogen 2.926 N/A ASN 66.A ND2 VAL 126.A O.B no hydrogen 3.026 N/A ASN 69.A ND2 PHE 67.A O no hydrogen 3.366 N/A ASN 69.A ND2 PRO 121.A O no hydrogen 3.127 N/A ILE 74.A N ASP 120.A OD2 no hydrogen 2.852 N/A ARG 77.A NE ASP 215.A O no hydrogen 3.235 N/A ARG 77.A NE ASP 215.A OD1 no hydrogen 3.182 N/A ARG 77.A NH2 ASP 215.A OD1 no hydrogen 2.838 N/A ILE 78.A N THR 140.A O no hydrogen 2.909 N/A ILE 79.A N LEU 217.A O no hydrogen 2.873 N/A VAL 80.A N PHE 138.A O no hydrogen 2.870 N/A ALA 81.A N TYR 219.A O no hydrogen 3.079 N/A GLY 82.A N TYR 136.A O no hydrogen 3.232 N/A ARG 83.A N ASP 222.A OD1 no hydrogen 2.923 N/A ARG 83.A NE ASP 133.A O no hydrogen 2.828 N/A ARG 83.A NH2 ASP 133.A O no hydrogen 3.086 N/A VAL 84.A N GLY 134.A O no hydrogen 2.805 N/A VAL 85.A N ILE 223.A O no hydrogen 2.960 N/A ASP 86.A N LYS 90.A O no hydrogen 2.815 N/A TYR 88.A N ASP 86.A OD1 no hydrogen 2.956 N/A GLY 89.A N ASP 86.A O no hydrogen 2.802 N/A LYS 90.A N ASP 86.A OD1 no hydrogen 3.098 N/A VAL 92.A N VAL 84.A O no hydrogen 2.867 N/A ASN 94.A N THR 130.A O no hydrogen 2.973 N/A THR 95.A N THR 130.A OG1 no hydrogen 2.909 N/A THR 95.A OG1 SER 165.A OG no hydrogen 3.261 N/A LEU 96.A N SER 165.A OG no hydrogen 3.097 N/A GLU 98.A N GLY 163.A O no hydrogen 2.863 N/A MET 99.A N GLY 127.A O no hydrogen 2.930 N/A TRP 100.A N HIS 161.A O no hydrogen 3.019 N/A GLN 101.A N GLY 125.A O no hydrogen 2.944 N/A GLN 101.A NE2 ALA 102.A O no hydrogen 2.996 N/A GLN 101.A NE2 ILE 141.A O no hydrogen 2.886 N/A ASN 103.A N ARG 107.A O no hydrogen 2.902 N/A ASN 103.A ND2 PRO 118.A O no hydrogen 2.970 N/A GLY 105.A N ASN 103.A OD1 no hydrogen 2.914 N/A GLY 106.A N ASN 103.A O no hydrogen 3.018 N/A ARG 107.A N ASN 103.A OD1 no hydrogen 3.131 N/A ARG 107.A NE TYR 108.A O no hydrogen 3.390 N/A ARG 107.A NH1 ALA 117.A O no hydrogen 2.907 N/A TYR 108.A N ASP 113.A OD2 no hydrogen 2.829 N/A TYR 108.A OH TYR 146.A OH.B no hydrogen 2.766 N/A TYR 108.A OH HIS 161.A NE2 no hydrogen 3.282 N/A ARG 109.A NE PHE 123.A O no hydrogen 2.932 N/A ARG 109.A NH2 ASP 120.A O no hydrogen 2.899 N/A ARG 109.A NH2 PHE 123.A O no hydrogen 3.360 N/A ASN 112.A N HIS 110.A ND1 no hydrogen 3.043 N/A ASP 113.A N HIS 110.A O no hydrogen 3.105 N/A TYR 115.A N ASP 113.A OD1 no hydrogen 2.920 N/A ASN 122.A N ASP 120.A OD1 no hydrogen 2.937 N/A PHE 123.A N ASP 120.A O no hydrogen 3.029 N/A GLY 127.A N MET 99.A O no hydrogen 2.989 N/A ARG 128.A N ASP 60.A O no hydrogen 2.964 N/A ARG 128.A NE ASP 60.A OD2 no hydrogen 2.858 N/A ARG 128.A NH1 ASP 60.A OD2 no hydrogen 3.035 N/A THR 130.A N THR 95.A O no hydrogen 2.871 N/A THR 130.A OG1 VAL 92.A O no hydrogen 2.762 N/A ASP 131.A N TYR 135.A O no hydrogen 2.836 N/A ASP 133.A N ASP 131.A OD1 no hydrogen 2.868 N/A GLY 134.A N ASP 131.A O no hydrogen 2.997 N/A TYR 135.A N ASP 131.A OD1 no hydrogen 2.944 N/A TYR 136.A N GLY 82.A O no hydrogen 2.921 N/A TYR 136.A OH PHE 221.A O no hydrogen 2.712 N/A PHE 138.A N VAL 80.A O no hydrogen 2.811 N/A ARG 139.A N HIS 61.A O no hydrogen 3.043 N/A ARG 139.A NE ASP 62.A OD1 no hydrogen 3.033 N/A ARG 139.A NH1 ASP 62.A OD1 no hydrogen 3.468 N/A ARG 139.A NH1 ASP 62.A OD2 no hydrogen 2.780 N/A THR 140.A N ILE 78.A O no hydrogen 2.821 N/A THR 140.A OG1 GLN 101.A OE1 no hydrogen 2.689 N/A THR 140.A OG1 ILE 141.A O no hydrogen 3.387 N/A LYS 142.A N GLU 76.A O no hydrogen 2.890 N/A GLY 144.A N ASN 103.A O no hydrogen 2.999 N/A TYR 146.A N.A ARG 156.A O no hydrogen 3.295 N/A TYR 146.A OH.A ASP 113.A OD1 no hydrogen 2.700 N/A TYR 146.A OH.B TYR 108.A OH no hydrogen 2.766 N/A TYR 146.A OH.B HIS 159.A NE2 no hydrogen 3.073 N/A TRP 148.A N ASP 154.A O no hydrogen 3.130 N/A ASN 150.A N TRP 148.A O no hydrogen 2.895 N/A ASN 150.A ND2 ASP 23.A O no hydrogen 2.875 N/A ASN 150.A ND2 ASP 154.A OD2 no hydrogen 2.900 N/A GLY 151.A N ASP 154.A OD2 no hydrogen 2.833 N/A TRP 155.A NE1 ASN 153.A OD1 no hydrogen 2.941 N/A ARG 156.A N TYR 146.A O.A no hydrogen 2.794 N/A ARG 156.A N TYR 146.A O.B no hydrogen 2.705 N/A ARG 156.A NH1 GLN 176.A OE1 no hydrogen 2.831 N/A ARG 156.A NH2 GLN 176.A OE1 no hydrogen 3.166 N/A ARG 156.A NH2 TYR 178.A OH no hydrogen 2.856 N/A ALA 158.A N ASP 182.A OD2 no hydrogen 3.174 N/A HIS 159.A ND1 PRO 157.A O no hydrogen 2.780 N/A HIS 159.A NE2 HIS 161.A NE2 no hydrogen 3.115 N/A ILE 160.A N LEU 177.A O no hydrogen 3.024 N/A HIS 161.A N TRP 100.A O no hydrogen 2.867 N/A PHE 162.A N THR 175.A O no hydrogen 2.957 N/A GLY 163.A N GLU 98.A O no hydrogen 2.830 N/A ILE 164.A N LEU 173.A O no hydrogen 2.893 N/A SER 165.A N LEU 96.A O no hydrogen 3.064 N/A SER 165.A OG THR 95.A OG1 no hydrogen 3.261 N/A SER 168.A N THR 171.A OG1 no hydrogen 3.166 N/A ILE 169.A N THR 47.A O no hydrogen 2.970 N/A ALA 170.A N GLU 45.A O no hydrogen 3.335 N/A THR 171.A N SER 168.A O no hydrogen 3.010 N/A THR 171.A OG1 SER 165.A O no hydrogen 3.054 N/A THR 171.A OG1 SER 168.A O no hydrogen 2.853 N/A LEU 173.A N ILE 164.A O no hydrogen 2.998 N/A THR 175.A N PHE 162.A O no hydrogen 2.882 N/A GLN 176.A N THR 175.A OG1 no hydrogen 2.779 N/A LEU 177.A N ILE 160.A O no hydrogen 2.849 N/A TYR 178.A N LEU 202.A O no hydrogen 2.887 N/A TYR 178.A OH GLN 176.A OE1 no hydrogen 3.201 N/A GLU 180.A N ALA 204.A O no hydrogen 2.963 N/A ASP 182.A N PHE 179.A O no hydrogen 3.087 N/A LEU 184.A N ASP 182.A OD1 no hydrogen 2.932 N/A ILE 185.A N ASP 182.A O no hydrogen 3.133 N/A LYS 191.A N.A CYS 187.A O no hydrogen 2.896 N/A LYS 191.A N.B CYS 187.A O no hydrogen 2.897 N/A LYS 191.A NZ.A PRO 186.A O no hydrogen 3.007 N/A SER 192.A N ILE 189.A O no hydrogen 3.133 N/A SER 192.A OG ILE 189.A O no hydrogen 2.616 N/A ILE 193.A N VAL 190.A O no hydrogen 3.093 N/A ALA 198.A N ASN 195.A O no hydrogen 2.937 N/A VAL 199.A N ASN 195.A O no hydrogen 3.289 N/A GLN 200.A N PRO 196.A O no hydrogen 3.159 N/A GLN 201.A N ALA 198.A O no hydrogen 3.025 N/A LEU 202.A N VAL 199.A O no hydrogen 2.938 N/A ILE 203.A N GLN 200.A O no hydrogen 3.161 N/A ALA 204.A N TYR 178.A O no hydrogen 2.767 N/A LYS 205.A N ARG 220.A O no hydrogen 3.052 N/A LEU 206.A N GLU 180.A OE2 no hydrogen 2.869 N/A ASP 207.A N ALA 218.A O no hydrogen 2.802 N/A ASN 209.A ND2 ASP 207.A OD1 no hydrogen 2.987 N/A ASN 210.A N ASP 207.A O no hydrogen 3.080 N/A ALA 211.A N MET 208.A O no hydrogen 3.181 N/A ASN 212.A N CYS 216.A O no hydrogen 2.935 N/A CYS 216.A N ASN 212.A O no hydrogen 2.969 N/A CYS 216.A SG LEU 217.A O no hydrogen 3.799 N/A LEU 217.A N ARG 77.A O no hydrogen 2.979 N/A TYR 219.A N ILE 79.A O no hydrogen 2.831 N/A ARG 220.A N LYS 205.A O no hydrogen 2.846 N/A ARG 220.A NE ASP 207.A OD2 no hydrogen 2.806 N/A ARG 220.A NH1 ASP 207.A OD2 no hydrogen 3.086 N/A PHE 221.A N ALA 81.A O no hydrogen 2.883 N/A ILE 223.A N ARG 83.A O no hydrogen 2.923 N/A LEU 225.A N VAL 85.A O no hydrogen 2.846 N/A ARG 226.A NE VAL 9.A O no hydrogen 2.780 N/A ARG 226.A NH1 ALA 170.A O no hydrogen 2.975 N/A ARG 226.A NH2 PHE 8.A O no hydrogen 3.320 N/A ARG 226.A NH2 VAL 9.A O no hydrogen 3.061 N/A GLY 227.A N GLN 87.A OE1 no hydrogen 2.962 N/A GLN 228.A N ASP 86.A OD2 no hydrogen 3.050 N/A GLN 228.A NE2 SER 6.A OG no hydrogen 2.827 N/A ARG 229.A N ARG 7.A O no hydrogen 2.880 N/A ARG 229.A NH1 LYS 230.A O no hydrogen 2.958 N/A HIS 232.A ND1 HIS 232.A O no hydrogen 2.881 N/A CYS 236.A SG.A GLU 234.A O no hydrogen 3.830 N/A CYS 236.A SG.B GLU 234.A O no hydrogen 3.747 N/A