Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jgx_L.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N GLU 6.A OE1 no hydrogen 2.948 N/A GLU 6.A N LEU 3.A O no hydrogen 2.760 N/A LYS 8.A NZ PHE 5.A O no hydrogen 3.185 N/A TYR 9.A N GLU 6.A O no hydrogen 2.873 N/A ARG 10.A N ARG 7.A O no hydrogen 3.059 N/A ARG 10.A NE GLU 6.A OE2 no hydrogen 3.057 N/A ARG 10.A NH2 GLU 6.A OE2 no hydrogen 2.779 N/A VAL 11.A N TYR 9.A O no hydrogen 2.875 N/A GLY 13.A N ASP 23.A OD2 no hydrogen 3.201 N/A THR 15.A OG1 GLY 19.A O no hydrogen 2.665 N/A LEU 16.A N GLU 106.A OE2 no hydrogen 2.361 N/A LEU 21.A N GLY 18.A O no hydrogen 2.926 N/A ASP 23.A N ASN 20.A O no hydrogen 3.442 N/A VAL 26.A N PHE 29.A O no hydrogen 2.908 N/A PHE 29.A N VAL 26.A O no hydrogen 3.065 N/A TYR 30.A OH ASP 23.A OD1 no hydrogen 2.844 N/A VAL 31.A N PHE 24.A O no hydrogen 3.158 N/A GLY 32.A N PHE 22.A O no hydrogen 2.880 N/A GLY 35.A N GLY 32.A O no hydrogen 3.025 N/A VAL 36.A N GLY 32.A O no hydrogen 3.396 N/A ALA 37.A N PHE 33.A O no hydrogen 3.010 N/A THR 38.A N PHE 34.A O no hydrogen 3.040 N/A PHE 39.A N GLY 35.A O no hydrogen 3.102 N/A PHE 40.A N VAL 36.A O no hydrogen 3.018 N/A PHE 41.A N ALA 37.A O no hydrogen 3.298 N/A ALA 42.A N THR 38.A O no hydrogen 2.862 N/A ALA 43.A N PHE 39.A O no hydrogen 2.756 N/A LEU 44.A N PHE 40.A O no hydrogen 2.870 N/A GLY 45.A N PHE 41.A O no hydrogen 2.927 N/A ILE 46.A N ALA 42.A O no hydrogen 2.866 N/A ILE 47.A N ALA 43.A O no hydrogen 3.110 N/A LEU 48.A N LEU 44.A O no hydrogen 3.061 N/A ILE 49.A N GLY 45.A O no hydrogen 3.155 N/A ALA 50.A N ILE 46.A O no hydrogen 2.887 N/A TRP 51.A N ILE 47.A O no hydrogen 2.841 N/A SER 52.A N LEU 48.A O no hydrogen 2.873 N/A ALA 53.A N ALA 50.A O no hydrogen 2.801 N/A VAL 54.A N ALA 50.A O no hydrogen 3.151 N/A LEU 55.A N TRP 51.A O no hydrogen 3.361 N/A GLN 56.A N ALA 53.A O no hydrogen 3.225 N/A GLN 56.A NE2 LEU 63.A O no hydrogen 3.154 N/A GLY 57.A N ALA 53.A O no hydrogen 3.189 N/A GLY 57.A N VAL 54.A O no hydrogen 2.943 N/A THR 58.A N ALA 53.A O no hydrogen 3.416 N/A LEU 63.A N ASN 60.A O no hydrogen 2.586 N/A ILE 64.A N ASN 60.A O no hydrogen 2.684 N/A SER 65.A N GLN 56.A OE1 no hydrogen 2.969 N/A SER 65.A OG THR 152.A OG1 no hydrogen 3.163 N/A VAL 66.A N TYR 148.A O no hydrogen 2.961 N/A TYR 73.A N ALA 70.A O no hydrogen 2.801 N/A GLY 74.A N LEU 71.A O no hydrogen 3.453 N/A GLY 76.A N TYR 73.A O no hydrogen 3.024 N/A ALA 78.A N GLN 87.A OE1 no hydrogen 3.060 N/A LYS 82.A N PRO 79.A O no hydrogen 2.593 N/A GLY 84.A N PRO 79.A O no hydrogen 2.894 N/A LEU 85.A N LEU 80.A O no hydrogen 3.172 N/A GLN 87.A N GLY 83.A O no hydrogen 3.275 N/A GLN 87.A NE2 GLY 76.A O no hydrogen 3.316 N/A ILE 88.A N GLY 84.A O no hydrogen 3.023 N/A ILE 89.A N LEU 85.A O no hydrogen 2.759 N/A THR 90.A N TRP 86.A O no hydrogen 2.859 N/A THR 90.A OG1 TRP 86.A O no hydrogen 2.717 N/A THR 90.A OG1 TYR 148.A OH no hydrogen 2.619 N/A ILE 91.A N GLN 87.A O no hydrogen 3.189 N/A CYS 92.A N ILE 88.A O no hydrogen 3.044 N/A CYS 92.A SG ILE 88.A O no hydrogen 3.711 N/A ALA 93.A N ILE 89.A O no hydrogen 2.791 N/A THR 94.A N THR 90.A O no hydrogen 2.891 N/A THR 94.A OG1 THR 90.A O no hydrogen 3.365 N/A GLY 95.A N ILE 91.A O no hydrogen 2.722 N/A ALA 96.A N CYS 92.A O no hydrogen 2.828 N/A PHE 97.A N ALA 93.A O no hydrogen 2.850 N/A VAL 98.A N THR 94.A O no hydrogen 3.053 N/A SER 99.A N GLY 95.A O no hydrogen 3.275 N/A SER 99.A OG GLY 95.A O no hydrogen 2.814 N/A TRP 100.A N ALA 96.A O no hydrogen 3.081 N/A ALA 101.A N PHE 97.A O no hydrogen 3.326 N/A LEU 102.A N VAL 98.A O no hydrogen 2.972 N/A ARG 103.A N SER 99.A O no hydrogen 2.769 N/A ARG 103.A NE TYR 30.A O no hydrogen 2.923 N/A ARG 103.A NH2 TYR 30.A O no hydrogen 2.879 N/A GLU 104.A N TRP 100.A O no hydrogen 3.146 N/A GLU 104.A N ALA 101.A O no hydrogen 2.742 N/A VAL 105.A N ALA 101.A O no hydrogen 3.173 N/A GLU 106.A N LEU 102.A O no hydrogen 3.383 N/A ILE 107.A N ARG 103.A O no hydrogen 3.146 N/A CYS 108.A N GLU 104.A O no hydrogen 2.798 N/A CYS 108.A SG GLU 104.A O no hydrogen 3.363 N/A CYS 108.A SG GLY 114.A O no hydrogen 3.151 N/A ARG 109.A N VAL 105.A O no hydrogen 3.029 N/A ARG 109.A NE GLY 14.A O no hydrogen 2.739 N/A ARG 109.A NH2 THR 15.A O no hydrogen 3.367 N/A LYS 110.A N GLU 106.A O no hydrogen 3.037 N/A LYS 110.A NZ VAL 11.A O no hydrogen 2.922 N/A LYS 110.A NZ GLY 13.A O no hydrogen 2.359 N/A LYS 110.A NZ ASP 23.A OD1 no hydrogen 2.995 N/A LYS 110.A NZ ASP 23.A OD2 no hydrogen 3.546 N/A LEU 111.A N ILE 107.A O no hydrogen 3.324 N/A ILE 113.A N CYS 108.A O no hydrogen 3.306 N/A PHE 119.A N TYR 115.A O no hydrogen 3.256 N/A ALA 120.A N HIS 116.A O no hydrogen 2.965 N/A PHE 121.A N ILE 117.A O no hydrogen 3.067 N/A ALA 122.A N PRO 118.A O no hydrogen 2.994 N/A PHE 123.A N ALA 120.A O no hydrogen 2.988 N/A ALA 124.A N PHE 121.A O no hydrogen 2.553 N/A ILE 125.A N PHE 121.A O no hydrogen 3.209 N/A LEU 126.A N ALA 122.A O no hydrogen 3.158 N/A ALA 127.A N PHE 123.A O no hydrogen 3.266 N/A TYR 128.A N ALA 124.A O no hydrogen 3.076 N/A TYR 128.A OH TYR 148.A OH no hydrogen 2.879 N/A LEU 129.A N ILE 125.A O no hydrogen 2.978 N/A THR 130.A N LEU 126.A O no hydrogen 3.070 N/A THR 130.A N ALA 127.A O no hydrogen 3.157 N/A THR 130.A OG1 LEU 126.A O no hydrogen 2.787 N/A LEU 131.A N ALA 127.A O no hydrogen 3.254 N/A VAL 132.A N TYR 128.A O no hydrogen 3.061 N/A LEU 133.A N LEU 129.A O no hydrogen 2.974 N/A PHE 134.A N LEU 129.A O no hydrogen 2.837 N/A ARG 135.A N THR 130.A O no hydrogen 2.942 N/A ARG 135.A NE THR 251.A O no hydrogen 2.960 N/A ARG 135.A NH2 THR 251.A O no hydrogen 2.916 N/A VAL 137.A N LEU 133.A O no hydrogen 2.950 N/A MET 138.A N PHE 134.A O no hydrogen 3.081 N/A MET 139.A N ARG 135.A O no hydrogen 3.026 N/A MET 139.A N PRO 136.A O no hydrogen 2.987 N/A GLY 140.A N VAL 137.A O no hydrogen 3.439 N/A ALA 141.A N PRO 136.A O no hydrogen 3.101 N/A TRP 142.A N GLY 74.A O no hydrogen 2.953 N/A TRP 142.A NE1 LEU 75.A O no hydrogen 2.685 N/A TYR 144.A N ALA 141.A O no hydrogen 3.204 N/A ALA 145.A N TRP 142.A O no hydrogen 3.069 N/A TYR 148.A N VAL 66.A O no hydrogen 3.276 N/A TYR 148.A OH THR 90.A OG1 no hydrogen 2.619 N/A TRP 151.A NE1 GLN 62.A OE1 no hydrogen 2.648 N/A THR 152.A OG1 SER 65.A OG no hydrogen 3.163 N/A HIS 153.A N GLY 149.A O no hydrogen 3.057 N/A HIS 153.A ND1 ILE 150.A O no hydrogen 2.522 N/A LEU 154.A N TRP 151.A O no hydrogen 2.794 N/A ASP 155.A N TRP 151.A O no hydrogen 3.034 N/A ASP 155.A N THR 152.A O no hydrogen 3.255 N/A TRP 156.A N THR 152.A O no hydrogen 3.250 N/A TRP 156.A NE1 TYR 144.A O no hydrogen 3.280 N/A VAL 157.A N HIS 153.A O no hydrogen 3.274 N/A SER 158.A N LEU 154.A O no hydrogen 3.150 N/A ASN 159.A N ASP 155.A O no hydrogen 2.947 N/A THR 160.A N TRP 156.A O no hydrogen 2.927 N/A THR 160.A OG1 TRP 156.A O no hydrogen 2.740 N/A GLY 161.A N VAL 157.A O no hydrogen 2.778 N/A TYR 162.A N SER 158.A O no hydrogen 3.083 N/A THR 163.A N ASN 159.A O no hydrogen 2.908 N/A THR 163.A OG1 ASN 159.A O no hydrogen 2.809 N/A TYR 164.A N GLY 161.A O no hydrogen 3.012 N/A GLY 165.A N TYR 162.A O no hydrogen 3.147 N/A ASN 166.A ND2 HIS 168.A ND1 no hydrogen 3.277 N/A HIS 168.A N ASN 166.A OD1 no hydrogen 3.029 N/A TYR 169.A N ASN 166.A O no hydrogen 3.108 N/A ASN 170.A N PHE 167.A O no hydrogen 2.733 N/A ASN 170.A ND2 CYS 247.A O no hydrogen 2.893 N/A ALA 172.A N ASN 170.A OD1 no hydrogen 3.088 N/A HIS 173.A N ASN 170.A O no hydrogen 2.983 N/A MET 174.A N ASN 170.A O no hydrogen 3.105 N/A ILE 175.A N PRO 171.A O no hydrogen 3.169 N/A ALA 176.A N ALA 172.A O no hydrogen 3.011 N/A ILE 177.A N HIS 173.A O no hydrogen 2.929 N/A SER 178.A N MET 174.A O no hydrogen 2.965 N/A SER 178.A OG MET 174.A O no hydrogen 3.195 N/A PHE 179.A N ILE 175.A O no hydrogen 3.091 N/A PHE 180.A N ALA 176.A O no hydrogen 3.124 N/A PHE 181.A N ILE 177.A O no hydrogen 2.926 N/A THR 182.A N SER 178.A O no hydrogen 2.880 N/A THR 182.A OG1 SER 178.A O no hydrogen 3.080 N/A ASN 183.A N PHE 179.A O no hydrogen 2.778 N/A ALA 184.A N PHE 180.A O no hydrogen 3.236 N/A LEU 185.A N PHE 181.A O no hydrogen 3.058 N/A ALA 186.A N THR 182.A O no hydrogen 2.751 N/A LEU 187.A N ASN 183.A O no hydrogen 2.757 N/A ALA 188.A N ALA 184.A O no hydrogen 2.867 N/A LEU 189.A N LEU 185.A O no hydrogen 3.046 N/A HIS 190.A N ALA 186.A O no hydrogen 2.828 N/A GLY 191.A N LEU 187.A O no hydrogen 2.991 N/A ALA 192.A N ALA 188.A O no hydrogen 2.927 N/A LEU 193.A N LEU 189.A O no hydrogen 2.688 N/A VAL 194.A N HIS 190.A O no hydrogen 3.252 N/A LEU 195.A N GLY 191.A O no hydrogen 3.318 N/A SER 196.A N ALA 192.A O no hydrogen 3.107 N/A SER 196.A OG ALA 192.A O no hydrogen 3.166 N/A SER 196.A OG LEU 193.A O no hydrogen 2.876 N/A ALA 197.A N VAL 194.A O no hydrogen 3.322 N/A ALA 198.A N VAL 194.A O no hydrogen 2.909 N/A ASN 199.A N LEU 195.A O no hydrogen 2.730 N/A ASN 199.A ND2 LEU 195.A O no hydrogen 3.299 N/A LYS 204.A N GLU 201.A O no hydrogen 3.033 N/A LYS 204.A NZ GLU 201.A OE1 no hydrogen 3.182 N/A ARG 207.A N ALA 197.A O no hydrogen 2.986 N/A ARG 207.A NE GLU 205.A O no hydrogen 3.052 N/A ARG 207.A NH2 GLU 205.A O no hydrogen 2.803 N/A THR 208.A N HIS 211.A ND1 no hydrogen 3.219 N/A THR 208.A OG1 HIS 211.A ND1 no hydrogen 3.015 N/A ASP 210.A N THR 208.A OG1 no hydrogen 3.275 N/A HIS 211.A ND1 THR 208.A OG1 no hydrogen 3.015 N/A GLU 212.A N THR 208.A O no hydrogen 3.103 N/A ASP 213.A N PRO 209.A O no hydrogen 2.869 N/A THR 214.A N ASP 210.A O no hydrogen 2.818 N/A THR 214.A OG1 ASP 210.A O no hydrogen 2.870 N/A PHE 215.A N HIS 211.A O no hydrogen 2.771 N/A PHE 216.A N GLU 212.A O no hydrogen 3.329 N/A ARG 217.A N ASP 213.A O no hydrogen 3.060 N/A ASP 218.A N THR 214.A O no hydrogen 2.887 N/A LEU 219.A N PHE 215.A O no hydrogen 2.977 N/A VAL 220.A N PHE 216.A O no hydrogen 2.722 N/A GLY 221.A N ARG 217.A O no hydrogen 2.681 N/A SER 223.A OG ASP 213.A OD1 no hydrogen 2.383 N/A ILE 229.A N GLY 225.A O no hydrogen 2.869 N/A HIS 230.A N LEU 227.A O no hydrogen 3.240 N/A HIS 230.A ND1 THR 226.A O no hydrogen 2.616 N/A ARG 231.A N LEU 227.A O no hydrogen 3.145 N/A LEU 232.A N GLY 228.A O no hydrogen 2.660 N/A GLY 233.A N ILE 229.A O no hydrogen 2.876 N/A LEU 234.A N HIS 230.A O no hydrogen 3.261 N/A LEU 235.A N ARG 231.A O no hydrogen 3.011 N/A LEU 236.A N LEU 232.A O no hydrogen 2.742 N/A SER 237.A N GLY 233.A O no hydrogen 3.223 N/A SER 237.A OG ASN 183.A OD1 no hydrogen 2.865 N/A SER 237.A OG GLY 233.A O no hydrogen 3.418 N/A LEU 238.A N LEU 234.A O no hydrogen 3.077 N/A SER 239.A N LEU 235.A O no hydrogen 2.989 N/A SER 239.A OG LEU 235.A O no hydrogen 2.660 N/A ALA 240.A N LEU 236.A O no hydrogen 2.895 N/A VAL 241.A N SER 237.A O no hydrogen 3.088 N/A PHE 242.A N LEU 238.A O no hydrogen 2.848 N/A PHE 243.A N SER 239.A O no hydrogen 3.001 N/A SER 244.A N ALA 240.A O no hydrogen 3.130 N/A SER 244.A N VAL 241.A O no hydrogen 3.071 N/A SER 244.A OG ALA 240.A O no hydrogen 2.790 N/A ALA 245.A N VAL 241.A O no hydrogen 3.023 N/A LEU 246.A N PHE 242.A O no hydrogen 3.035 N/A CYS 247.A N PHE 243.A O no hydrogen 2.966 N/A CYS 247.A SG SER 244.A O no hydrogen 3.154 N/A MET 248.A N SER 244.A O no hydrogen 3.320 N/A ILE 249.A N ALA 245.A O no hydrogen 2.947 N/A ILE 250.A N LEU 246.A O no hydrogen 3.465 N/A THR 251.A N MET 248.A O no hydrogen 3.120 N/A THR 251.A OG1 CYS 247.A O no hydrogen 2.928 N/A GLY 252.A N TRP 255.A O no hydrogen 2.865 N/A THR 253.A OG1 ILE 249.A O no hydrogen 2.579 N/A ILE 254.A N ILE 250.A O no hydrogen 3.304 N/A TRP 259.A N TYR 164.A O no hydrogen 3.075 N/A TRP 259.A NE1 THR 251.A OG1 no hydrogen 3.009 N/A ASP 261.A N GLN 258.A O no hydrogen 3.157 N/A TRP 263.A N VAL 260.A O no hydrogen 3.415 N/A TRP 263.A NE1 TYR 169.A O no hydrogen 2.977 N/A GLN 264.A N ASP 261.A O no hydrogen 2.819 N/A LYS 268.A N GLN 264.A O no hydrogen 2.685 N/A LEU 269.A N TRP 266.A O no hydrogen 3.253 N/A TRP 272.A NE1 TRP 266.A O no hydrogen 3.013 N/A ALA 273.A N LEU 269.A O no hydrogen 2.598 N/A ILE 275.A N TRP 272.A O no hydrogen 2.933 N/A GLY 277.A N GLY 281.A OXT no hydrogen 3.142 N/A