Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4otr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N VAL 68.A O no hydrogen 2.805 N/A LYS 5.A N ASP 3.A OD2 no hydrogen 2.941 N/A ASP 6.A N ASP 3.A O no hydrogen 2.918 N/A LEU 7.A N PRO 4.A O no hydrogen 3.123 N/A THR 8.A N LYS 25.A O no hydrogen 2.946 N/A LEU 10.A N TYR 23.A O no hydrogen 3.017 N/A LYS 11.A N TYR 23.A O no hydrogen 3.285 N/A LYS 11.A NZ TYR 81.A OH no hydrogen 3.232 N/A LEU 13.A N VAL 21.A O no hydrogen 2.749 N/A GLY 16.A N GLY 19.A O no hydrogen 3.037 N/A GLN 17.A NE2 ASP 153.A OD2 no hydrogen 3.479 N/A GLY 19.A N GLY 16.A O no hydrogen 3.162 N/A VAL 21.A N GLY 14.A O no hydrogen 2.894 N/A LYS 22.A N ILE 34.A O no hydrogen 2.866 N/A TYR 23.A N LYS 11.A O no hydrogen 2.815 N/A TYR 23.A OH ASP 31.A OD1 no hydrogen 2.463 N/A GLY 24.A N VAL 32.A O no hydrogen 2.937 N/A LYS 25.A N THR 8.A O no hydrogen 3.105 N/A LYS 25.A NZ GLN 29.A O no hydrogen 3.230 N/A LYS 25.A NZ ASP 31.A OD1 no hydrogen 3.058 N/A TRP 26.A N TYR 30.A O no hydrogen 2.769 N/A ARG 27.A N ASP 6.A O no hydrogen 2.762 N/A GLN 29.A N TRP 26.A O no hydrogen 3.300 N/A TYR 30.A N TRP 26.A O no hydrogen 3.162 N/A VAL 32.A N GLY 24.A O no hydrogen 2.879 N/A ALA 33.A N THR 79.A O no hydrogen 3.031 N/A ILE 34.A N LYS 22.A O no hydrogen 2.675 N/A LYS 35.A N ILE 77.A O no hydrogen 2.847 N/A LYS 35.A NZ ASP 144.A OD2 no hydrogen 2.791 N/A MET 36.A N VAL 20.A O no hydrogen 2.972 N/A ILE 37.A N ILE 75.A O no hydrogen 3.064 N/A LYS 38.A N PHE 18.A O no hydrogen 2.757 N/A SER 41.A N LYS 38.A O no hydrogen 3.050 N/A SER 41.A OG LYS 38.A O no hydrogen 2.662 N/A SER 43.A N TYR 150.A O no hydrogen 2.790 N/A SER 43.A OG GLU 46.A OE1 no hydrogen 2.806 N/A PHE 47.A N SER 43.A O no hydrogen 3.028 N/A ILE 48.A N GLU 44.A O no hydrogen 2.758 N/A GLU 49.A N ASP 45.A O no hydrogen 2.905 N/A GLU 50.A N GLU 46.A O no hydrogen 3.129 N/A GLU 50.A N PHE 47.A O no hydrogen 3.030 N/A ALA 51.A N ILE 48.A O no hydrogen 3.427 N/A LYS 52.A NZ ASN 56.A OD1 no hydrogen 3.342 N/A MET 55.A N ALA 51.A O no hydrogen 2.874 N/A MET 55.A N LYS 52.A O no hydrogen 2.908 N/A ASN 56.A N LYS 52.A O no hydrogen 3.228 N/A ASN 56.A N VAL 53.A O no hydrogen 3.140 N/A LEU 57.A N MET 54.A O no hydrogen 3.190 N/A SER 58.A N TYR 116.A OH no hydrogen 2.966 N/A SER 58.A OG GLN 64.A OE1 no hydrogen 2.905 N/A LYS 61.A N HIS 59.A ND1 no hydrogen 3.069 N/A LYS 61.A NZ ASP 109.A OD2 no hydrogen 2.926 N/A LYS 61.A NZ GLU 112.A OE2 no hydrogen 2.471 N/A LEU 62.A N HIS 59.A O no hydrogen 2.987 N/A VAL 63.A N VAL 142.A O no hydrogen 2.833 N/A GLN 64.A N GLU 80.A OE2 no hydrogen 3.030 N/A GLN 64.A NE2 LEU 65.A O no hydrogen 3.089 N/A TYR 66.A N ILE 78.A O no hydrogen 2.786 N/A GLY 67.A N ILE 78.A O no hydrogen 3.235 N/A CYS 69.A N PHE 76.A O no hydrogen 3.061 N/A CYS 69.A SG ILE 2.A O no hydrogen 3.268 N/A THR 70.A N GLU 1.A OE1 no hydrogen 2.714 N/A THR 70.A OG1 GLU 1.A OE1 no hydrogen 3.059 N/A THR 70.A OG1 GLU 1.A OE2 no hydrogen 2.731 N/A GLN 72.A NE2 PRO 74.A O no hydrogen 2.848 N/A ARG 73.A NH1 THR 70.A O no hydrogen 2.908 N/A ARG 73.A NH1 GLN 72.A O no hydrogen 2.968 N/A PHE 76.A N CYS 69.A O no hydrogen 3.032 N/A ILE 77.A N LYS 35.A O no hydrogen 3.099 N/A ILE 78.A N GLY 67.A O no hydrogen 2.793 N/A THR 79.A N ALA 33.A O no hydrogen 2.929 N/A THR 79.A OG1 GLU 80.A O no hydrogen 3.001 N/A GLU 80.A N GLN 64.A O no hydrogen 2.864 N/A ASN 84.A N VAL 134.A O no hydrogen 2.834 N/A ASN 84.A ND2 ASN 135.A O no hydrogen 2.721 N/A GLY 85.A N MET 82.A O no hydrogen 3.170 N/A CYS 86.A SG ASN 89.A OD1 no hydrogen 3.243 N/A CYS 86.A SG ARG 130.A O no hydrogen 4.004 N/A LEU 87.A N CYS 132.A O no hydrogen 2.864 N/A LEU 88.A N ALA 129.A O no hydrogen 3.279 N/A TYR 90.A N CYS 86.A O no hydrogen 3.044 N/A LEU 91.A N LEU 87.A O no hydrogen 2.819 N/A ARG 92.A N LEU 88.A O no hydrogen 3.302 N/A ARG 92.A N ASN 89.A O no hydrogen 3.090 N/A ARG 92.A NE GLY 199.A O no hydrogen 2.678 N/A ARG 92.A NH2 GLY 199.A O no hydrogen 2.806 N/A GLU 93.A N TYR 90.A O no hydrogen 3.232 N/A ARG 95.A NH2 GLU 93.A OE2 no hydrogen 3.180 N/A HIS 96.A N GLU 93.A O no hydrogen 3.258 N/A HIS 96.A NE2 GLU 93.A OE1 no hydrogen 2.763 N/A ALA 97.A N ALA 94.A O no hydrogen 3.058 N/A GLN 99.A N GLN 102.A OE1 no hydrogen 2.758 N/A GLN 102.A N GLN 99.A O no hydrogen 3.032 N/A LEU 103.A N GLN 99.A O no hydrogen 3.226 N/A LEU 104.A N THR 100.A O no hydrogen 2.956 N/A GLU 105.A N GLN 101.A O no hydrogen 3.050 N/A MET 106.A N GLN 102.A O no hydrogen 3.082 N/A CYS 107.A N LEU 103.A O no hydrogen 3.171 N/A CYS 107.A SG LEU 103.A O no hydrogen 3.518 N/A LYS 108.A N LEU 104.A O no hydrogen 2.813 N/A LYS 108.A NZ GLU 112.A OE1 no hydrogen 2.778 N/A ASP 109.A N GLU 105.A O no hydrogen 2.788 N/A VAL 110.A N MET 106.A O no hydrogen 3.250 N/A CYS 111.A N CYS 107.A O no hydrogen 2.867 N/A CYS 111.A SG PHE 249.A O no hydrogen 3.379 N/A GLU 112.A N LYS 108.A O no hydrogen 2.909 N/A ALA 113.A N ASP 109.A O no hydrogen 3.197 N/A MET 114.A N VAL 110.A O no hydrogen 2.927 N/A GLU 115.A N CYS 111.A O no hydrogen 2.685 N/A TYR 116.A N GLU 112.A O no hydrogen 3.076 N/A LEU 117.A N ALA 113.A O no hydrogen 3.013 N/A GLU 118.A N MET 114.A O no hydrogen 2.795 N/A SER 119.A N GLU 115.A O no hydrogen 2.984 N/A SER 119.A OG TYR 116.A O no hydrogen 2.591 N/A LYS 120.A N TYR 116.A O no hydrogen 3.189 N/A LYS 120.A N LEU 117.A O no hydrogen 3.068 N/A GLN 121.A N GLU 118.A O no hydrogen 2.715 N/A PHE 122.A N LEU 117.A O no hydrogen 2.959 N/A HIS 124.A N ASP 184.A OD2 no hydrogen 2.769 N/A HIS 124.A NE2 SER 143.A O no hydrogen 2.827 N/A ARG 125.A N ASP 184.A OD1 no hydrogen 3.017 N/A ASP 126.A N HIS 124.A ND1 no hydrogen 3.015 N/A ALA 129.A N GLU 194.A OE2 no hydrogen 2.938 N/A ARG 130.A NH2 ASP 126.A OD1 no hydrogen 2.927 N/A ASN 131.A N ALA 128.A O no hydrogen 2.886 N/A ASN 131.A ND2 ASP 126.A O no hydrogen 2.741 N/A CYS 132.A N ALA 129.A O no hydrogen 3.237 N/A CYS 132.A SG ALA 128.A O no hydrogen 3.468 N/A LEU 133.A N LYS 141.A O no hydrogen 2.855 N/A VAL 134.A N GLY 85.A O no hydrogen 2.530 N/A ASN 135.A N VAL 139.A O no hydrogen 2.847 N/A GLN 137.A N ASN 135.A OD1 no hydrogen 2.791 N/A GLY 138.A N ASN 135.A O no hydrogen 3.128 N/A VAL 139.A N ASN 135.A OD1 no hydrogen 2.966 N/A VAL 140.A N ASP 109.A OD1 no hydrogen 3.002 N/A LYS 141.A N LEU 133.A O no hydrogen 2.824 N/A LYS 141.A NZ GLU 60.A O no hydrogen 2.987 N/A LYS 141.A NZ GLU 80.A OE1 no hydrogen 2.526 N/A VAL 142.A N LYS 61.A O no hydrogen 2.877 N/A SER 143.A N ASN 131.A O no hydrogen 2.924 N/A SER 143.A OG ASP 144.A OD1 no hydrogen 2.971 N/A GLY 146.A N HIS 124.A O no hydrogen 3.346 N/A LEU 147.A N ASP 144.A O no hydrogen 3.338 N/A ARG 149.A NE GLY 146.A O no hydrogen 2.847 N/A ARG 149.A NH2 GLY 146.A O no hydrogen 3.107 N/A TYR 150.A N LEU 147.A O no hydrogen 3.138 N/A TYR 150.A OH GLU 50.A OE1 no hydrogen 2.682 N/A VAL 151.A N SER 148.A O no hydrogen 3.300 N/A LEU 152.A N SER 41.A O no hydrogen 3.097 N/A GLU 155.A N ASP 153.A OD1 no hydrogen 3.005 N/A TYR 156.A N ASP 153.A O no hydrogen 3.014 N/A TYR 156.A OH ASP 126.A OD2 no hydrogen 2.645 N/A THR 157.A N ASP 153.A O no hydrogen 3.125 N/A THR 157.A OG1 ASP 153.A O no hydrogen 3.471 N/A SER 158.A N ASP 154.A O no hydrogen 2.931 N/A VAL 160.A N SER 158.A OG no hydrogen 3.107 N/A GLY 161.A N SER 158.A O no hydrogen 2.765 N/A SER 162.A N GLU 155.A OE1 no hydrogen 2.871 N/A SER 162.A OG GLU 155.A OE1 no hydrogen 3.240 N/A LYS 163.A N GLU 155.A O no hydrogen 2.750 N/A LYS 163.A NZ ASP 153.A OD2 no hydrogen 3.037 N/A PHE 164.A N GLY 161.A O no hydrogen 3.236 N/A VAL 166.A N PHE 164.A O no hydrogen 2.724 N/A ARG 167.A NE ASN 208.A OD1 no hydrogen 2.915 N/A ARG 167.A NH1 PHE 206.A O no hydrogen 2.740 N/A ARG 167.A NH2 PRO 202.A O no hydrogen 2.956 N/A ARG 167.A NH2 TYR 203.A O no hydrogen 2.805 N/A ARG 167.A NH2 PHE 206.A O no hydrogen 3.020 N/A TRP 168.A N PRO 165.A O no hydrogen 3.161 N/A TRP 168.A NE1 GLU 194.A OE2 no hydrogen 2.756 N/A SER 169.A N VAL 166.A O no hydrogen 3.150 N/A SER 169.A OG PRO 165.A O no hydrogen 2.659 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.728 N/A VAL 173.A N PRO 170.A O no hydrogen 3.046 N/A LEU 174.A N PRO 170.A O no hydrogen 3.209 N/A MET 175.A N PRO 171.A O no hydrogen 2.821 N/A TYR 176.A N GLU 172.A O no hydrogen 2.979 N/A SER 177.A N VAL 173.A O no hydrogen 2.952 N/A LYS 178.A N GLU 172.A O no hydrogen 3.015 N/A SER 180.A N SER 183.A OG no hydrogen 2.969 N/A LYS 182.A NZ ARG 246.A O no hydrogen 2.999 N/A LYS 182.A NZ PRO 247.A O no hydrogen 3.158 N/A SER 183.A N SER 180.A O no hydrogen 2.989 N/A SER 183.A OG SER 180.A O no hydrogen 2.674 N/A ASP 184.A N SER 180.A O no hydrogen 3.448 N/A ILE 185.A N SER 181.A O no hydrogen 3.049 N/A TRP 186.A N LYS 182.A O no hydrogen 3.177 N/A ALA 187.A N SER 183.A O no hydrogen 3.097 N/A PHE 188.A N ASP 184.A O no hydrogen 2.860 N/A GLY 189.A N ILE 185.A O no hydrogen 3.029 N/A VAL 190.A N TRP 186.A O no hydrogen 3.177 N/A LEU 191.A N ALA 187.A O no hydrogen 2.794 N/A MET 192.A N PHE 188.A O no hydrogen 2.922 N/A TRP 193.A N GLY 189.A O no hydrogen 3.082 N/A TRP 193.A NE1 TYR 222.A O no hydrogen 2.876 N/A GLU 194.A N VAL 190.A O no hydrogen 2.880 N/A ILE 195.A N LEU 191.A O no hydrogen 3.029 N/A TYR 196.A N MET 192.A O no hydrogen 2.990 N/A SER 197.A N TRP 193.A O no hydrogen 2.923 N/A SER 197.A OG TRP 193.A O no hydrogen 2.847 N/A SER 197.A OG GLU 194.A O no hydrogen 3.482 N/A LEU 198.A N ILE 195.A O no hydrogen 3.052 N/A GLY 199.A N GLU 194.A O no hydrogen 2.778 N/A LYS 200.A NZ GLU 204.A OE1 no hydrogen 3.339 N/A LYS 200.A NZ TYR 222.A OH no hydrogen 3.444 N/A PHE 206.A N TYR 203.A O no hydrogen 2.925 N/A THR 207.A N GLU 210.A OE2 no hydrogen 3.094 N/A GLU 210.A N THR 207.A OG1 no hydrogen 2.988 N/A THR 211.A N THR 207.A O no hydrogen 2.885 N/A THR 211.A OG1 THR 207.A O no hydrogen 2.753 N/A ALA 212.A N ASN 208.A O no hydrogen 3.059 N/A GLU 213.A N SER 209.A O no hydrogen 3.295 N/A HIS 214.A N GLU 210.A O no hydrogen 2.886 N/A ILE 215.A N THR 211.A O no hydrogen 3.017 N/A ALA 216.A N ALA 212.A O no hydrogen 3.151 N/A GLN 217.A N GLU 213.A O no hydrogen 2.990 N/A GLY 218.A N ILE 215.A O no hydrogen 3.194 N/A LEU 219.A N HIS 214.A O no hydrogen 3.160 N/A ARG 220.A NE TRP 239.A O no hydrogen 2.871 N/A ARG 220.A NH1 ILE 215.A O no hydrogen 2.968 N/A ARG 220.A NH1 LEU 219.A O no hydrogen 2.819 N/A ARG 220.A NH2 TRP 239.A O no hydrogen 2.968 N/A TYR 222.A OH GLU 204.A OE1 no hydrogen 3.245 N/A ARG 223.A NH1 HIS 225.A O no hydrogen 3.309 N/A ARG 223.A NH1 ALA 227.A O no hydrogen 2.839 N/A ALA 227.A N PRO 224.A O no hydrogen 2.902 N/A SER 228.A OG GLU 263.A OE1 no hydrogen 2.521 N/A SER 228.A OG GLU 263.A OE2 no hydrogen 3.468 N/A VAL 231.A N SER 228.A OG no hydrogen 3.192 N/A TYR 232.A N SER 228.A O no hydrogen 2.763 N/A TYR 232.A OH LEU 221.A O no hydrogen 2.612 N/A THR 233.A N ALA 229.A O no hydrogen 2.838 N/A THR 233.A OG1 ALA 229.A O no hydrogen 3.106 N/A ILE 234.A N ALA 230.A O no hydrogen 3.195 N/A MET 235.A N VAL 231.A O no hydrogen 3.168 N/A TYR 236.A N TYR 232.A O no hydrogen 2.915 N/A SER 237.A N THR 233.A O no hydrogen 2.994 N/A SER 237.A OG ILE 234.A O no hydrogen 2.591 N/A CYS 238.A N MET 235.A O no hydrogen 2.978 N/A CYS 238.A SG ILE 234.A O no hydrogen 3.692 N/A TRP 239.A N TYR 236.A O no hydrogen 2.966 N/A LYS 242.A N HIS 240.A ND1 no hydrogen 2.980 N/A GLU 245.A N LYS 242.A O no hydrogen 2.926 N/A ARG 246.A N ALA 243.A O no hydrogen 3.062 N/A ARG 246.A NE HIS 240.A O no hydrogen 2.721 N/A ARG 246.A NH1 GLU 172.A OE2 no hydrogen 2.729 N/A ARG 246.A NH1 LYS 182.A O no hydrogen 3.001 N/A ARG 246.A NH2 GLU 172.A OE1 no hydrogen 2.961 N/A ARG 246.A NH2 GLU 172.A OE2 no hydrogen 3.449 N/A ARG 246.A NH2 HIS 240.A O no hydrogen 3.010 N/A ARG 246.A NH2 GLU 241.A O no hydrogen 3.491 N/A PHE 249.A N GLU 118.A OE2 no hydrogen 2.909 N/A ILE 251.A N THR 248.A OG1 no hydrogen 3.048 N/A LEU 252.A N THR 248.A O no hydrogen 2.906 N/A LEU 253.A N PHE 249.A O no hydrogen 2.888 N/A SER 254.A N LYS 250.A O no hydrogen 3.233 N/A SER 254.A OG ILE 251.A O no hydrogen 2.979 N/A ASN 255.A N ILE 251.A O no hydrogen 2.962 N/A ILE 256.A N LEU 252.A O no hydrogen 2.863 N/A LEU 257.A N LEU 253.A O no hydrogen 2.973 N/A ASP 258.A N SER 254.A O no hydrogen 2.984 N/A VAL 259.A N ASN 255.A O no hydrogen 3.072 N/A MET 260.A N ILE 256.A O no hydrogen 2.913 N/A ASP 261.A N LEU 257.A O no hydrogen 3.113 N/A GLU 262.A N ASP 258.A O no hydrogen 2.890 N/A GLU 262.A N VAL 259.A O no hydrogen 3.042 N/A GLU 263.A N VAL 259.A O no hydrogen 2.739 N/A