Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ri1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 7.A N ASP 4.A O no hydrogen 3.081 N/A GLU 8.A N ASP 4.A O no hydrogen 3.075 N/A GLU 8.A N PRO 5.A O no hydrogen 3.352 N/A PHE 9.A N ALA 86.A O no hydrogen 2.822 N/A ARG 11.A NE GLN 89.A O no hydrogen 3.209 N/A ARG 11.A NH1 PRO 92.A O no hydrogen 2.850 N/A ARG 11.A NH2 GLN 89.A O no hydrogen 3.339 N/A ARG 11.A NH2 PRO 92.A O no hydrogen 2.773 N/A LYS 13.A N PRO 10.A O no hydrogen 3.162 N/A LEU 14.A N ARG 11.A O no hydrogen 3.296 N/A THR 15.A N GLU 32.A O no hydrogen 2.861 N/A GLY 17.A N MET 30.A O no hydrogen 2.662 N/A LEU 20.A N VAL 28.A O no hydrogen 2.716 N/A GLN 27.A N MET 51.A O no hydrogen 3.013 N/A VAL 29.A N VAL 49.A O no hydrogen 2.852 N/A MET 30.A N LYS 18.A O no hydrogen 2.793 N/A ALA 31.A N VAL 47.A O no hydrogen 2.933 N/A GLU 32.A N THR 15.A O no hydrogen 2.995 N/A ALA 33.A N VAL 45.A O no hydrogen 2.796 N/A VAL 34.A N LYS 13.A O no hydrogen 2.837 N/A GLY 35.A N GLU 43.A O no hydrogen 3.052 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 3.331 N/A LYS 40.A N ASP 37.A O no hydrogen 2.804 N/A GLU 43.A N LYS 40.A O no hydrogen 3.226 N/A VAL 45.A N ALA 33.A O no hydrogen 2.803 N/A THR 46.A OG1 GLU 32.A OE1 no hydrogen 3.565 N/A THR 46.A OG1 GLU 32.A OE2 no hydrogen 2.706 N/A VAL 47.A N ALA 31.A O no hydrogen 2.764 N/A ALA 48.A N VAL 97.A O no hydrogen 2.921 N/A VAL 49.A N VAL 29.A O no hydrogen 2.763 N/A LYS 50.A N VAL 95.A O no hydrogen 2.880 N/A LYS 50.A NZ GLU 67.A OE1 no hydrogen 2.712 N/A MET 51.A N GLN 27.A O no hydrogen 2.775 N/A LYS 53.A NZ GLY 23.A O no hydrogen 3.057 N/A LYS 53.A NZ CYS 24.A O no hydrogen 3.126 N/A ALA 56.A N LYS 53.A O no hydrogen 3.182 N/A THR 57.A N ASP 60.A OD2 no hydrogen 2.985 N/A ASP 60.A N THR 57.A OG1 no hydrogen 3.084 N/A LEU 61.A N THR 57.A O no hydrogen 3.353 N/A SER 62.A N GLU 58.A O no hydrogen 3.211 N/A SER 62.A OG LYS 59.A O no hydrogen 3.315 N/A ASP 63.A N LYS 59.A O no hydrogen 2.844 N/A LEU 64.A N ASP 60.A O no hydrogen 2.961 N/A VAL 65.A N LEU 61.A O no hydrogen 2.948 N/A SER 66.A N SER 62.A O no hydrogen 3.066 N/A SER 66.A OG SER 62.A O no hydrogen 3.082 N/A GLU 67.A N ASP 63.A O no hydrogen 2.854 N/A MET 68.A N LEU 64.A O no hydrogen 3.048 N/A GLU 69.A N VAL 65.A O no hydrogen 2.906 N/A MET 70.A N SER 66.A O no hydrogen 2.877 N/A MET 71.A N GLU 67.A O no hydrogen 2.990 N/A LYS 72.A N MET 68.A O no hydrogen 2.970 N/A LYS 72.A NZ ASP 4.A OD1 no hydrogen 2.721 N/A LYS 72.A NZ GLU 69.A OE2 no hydrogen 2.739 N/A MET 73.A N GLU 69.A O no hydrogen 3.324 N/A MET 73.A N MET 70.A O no hydrogen 3.155 N/A ASN 79.A N HIS 77.A ND1 no hydrogen 3.059 N/A ASN 79.A ND2 MET 160.A O no hydrogen 3.057 N/A ILE 80.A N HIS 77.A O no hydrogen 3.245 N/A ILE 81.A N ILE 162.A O no hydrogen 2.840 N/A ASN 82.A N GLU 98.A OE1 no hydrogen 3.248 N/A ASN 82.A ND2 HIS 77.A O no hydrogen 2.831 N/A LEU 84.A N ILE 96.A O no hydrogen 2.807 N/A GLY 85.A N ILE 96.A O no hydrogen 3.249 N/A ALA 86.A N TRP 7.A O no hydrogen 2.933 N/A CYS 87.A N TYR 94.A O no hydrogen 2.884 N/A CYS 87.A SG PHE 9.A O no hydrogen 3.336 N/A THR 88.A N GLU 8.A OE1 no hydrogen 2.909 N/A THR 88.A OG1 GLU 8.A OE2 no hydrogen 2.718 N/A GLN 89.A NE2 LEU 1.A O no hydrogen 2.599 N/A GLN 89.A NE2 THR 88.A OG1 no hydrogen 3.160 N/A TYR 94.A N CYS 87.A O no hydrogen 3.013 N/A VAL 95.A N LYS 50.A O no hydrogen 2.878 N/A ILE 96.A N GLY 85.A O no hydrogen 2.843 N/A VAL 97.A N ALA 48.A O no hydrogen 2.741 N/A GLU 98.A N ASN 82.A O no hydrogen 3.129 N/A SER 101.A OG GLU 156.A OE2 no hydrogen 2.777 N/A LYS 102.A N VAL 154.A O no hydrogen 3.024 N/A LYS 102.A NZ GLU 156.A O no hydrogen 3.335 N/A LYS 102.A NZ ASN 158.A OD1 no hydrogen 2.960 N/A GLY 103.A N ALA 100.A O no hydrogen 3.464 N/A ASN 104.A ND2 GLU 107.A OE2 no hydrogen 3.098 N/A LEU 105.A N VAL 152.A O no hydrogen 2.739 N/A ARG 106.A N ALA 149.A O no hydrogen 3.360 N/A ARG 106.A NE GLU 107.A OE1 no hydrogen 3.509 N/A ARG 106.A NH2 GLU 107.A OE1 no hydrogen 3.274 N/A GLU 107.A N ASN 104.A OD1 no hydrogen 2.994 N/A TYR 108.A N ASN 104.A O no hydrogen 2.971 N/A TYR 108.A OH ASN 158.A OD1 no hydrogen 3.315 N/A LEU 109.A N LEU 105.A O no hydrogen 2.881 N/A ARG 110.A N ARG 106.A O no hydrogen 2.989 N/A ARG 110.A NE GLY 220.A O no hydrogen 2.710 N/A ARG 110.A NH2 GLY 220.A O no hydrogen 3.278 N/A ALA 111.A N GLU 107.A O no hydrogen 2.956 N/A ARG 112.A N LEU 109.A O no hydrogen 3.143 N/A ARG 112.A NH1 TYR 108.A O no hydrogen 3.232 N/A ARG 113.A NE LEU 219.A O no hydrogen 2.842 N/A ARG 113.A NH2 THR 218.A O no hydrogen 2.950 N/A ARG 113.A NH2 LEU 219.A O no hydrogen 3.359 N/A THR 119.A N ASP 122.A OD2 no hydrogen 2.897 N/A ASP 122.A N THR 119.A OG1 no hydrogen 3.168 N/A LEU 123.A N THR 119.A O no hydrogen 3.168 N/A VAL 124.A N PHE 120.A O no hydrogen 3.045 N/A SER 125.A N LYS 121.A O no hydrogen 2.882 N/A CYS 126.A N ASP 122.A O no hydrogen 3.019 N/A THR 127.A N LEU 123.A O no hydrogen 3.058 N/A THR 127.A OG1 LEU 123.A O no hydrogen 2.726 N/A TYR 128.A N VAL 124.A O no hydrogen 2.771 N/A GLN 129.A N SER 125.A O no hydrogen 2.898 N/A GLN 129.A NE2 SER 125.A O no hydrogen 3.461 N/A GLN 129.A NE2 SER 125.A OG no hydrogen 3.401 N/A LEU 130.A N CYS 126.A O no hydrogen 3.260 N/A ALA 131.A N THR 127.A O no hydrogen 2.961 N/A ARG 132.A N TYR 128.A O no hydrogen 2.977 N/A GLY 133.A N GLN 129.A O no hydrogen 3.121 N/A MET 134.A N LEU 130.A O no hydrogen 2.915 N/A GLU 135.A N ALA 131.A O no hydrogen 2.794 N/A TYR 136.A N ARG 132.A O no hydrogen 2.957 N/A LEU 137.A N GLY 133.A O no hydrogen 2.845 N/A ALA 138.A N MET 134.A O no hydrogen 2.971 N/A SER 139.A N GLU 135.A O no hydrogen 3.069 N/A SER 139.A OG TYR 136.A O no hydrogen 2.554 N/A GLN 140.A N TYR 136.A O no hydrogen 3.021 N/A GLN 140.A N LEU 137.A O no hydrogen 3.084 N/A GLN 140.A NE2 MET 73.A O no hydrogen 3.646 N/A LYS 141.A N ALA 138.A O no hydrogen 3.039 N/A CYS 142.A N LEU 137.A O no hydrogen 3.085 N/A CYS 142.A SG ARG 169.A O no hydrogen 3.983 N/A ILE 143.A N ARG 169.A O no hydrogen 2.952 N/A HIS 144.A N ASP 205.A OD1 no hydrogen 2.793 N/A HIS 144.A NE2 ALA 163.A O no hydrogen 2.847 N/A ARG 145.A N ASP 205.A OD2 no hydrogen 2.924 N/A ARG 145.A NH1 LEU 167.A O no hydrogen 2.858 N/A ARG 145.A NH2 ASN 182.A OD1 no hydrogen 2.789 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.165 N/A ALA 149.A N GLU 215.A OE2 no hydrogen 2.960 N/A ARG 150.A NH2 ASP 146.A OD2 no hydrogen 3.480 N/A ASN 151.A N ALA 148.A O no hydrogen 2.874 N/A VAL 152.A N ALA 149.A O no hydrogen 3.230 N/A LEU 153.A N LYS 161.A O no hydrogen 2.764 N/A VAL 154.A N GLY 103.A O no hydrogen 2.957 N/A THR 155.A N VAL 159.A O no hydrogen 3.106 N/A ASN 158.A N THR 155.A O no hydrogen 2.976 N/A VAL 159.A N THR 155.A OG1 no hydrogen 3.096 N/A MET 160.A N GLN 129.A OE1 no hydrogen 2.864 N/A LYS 161.A N LEU 153.A O no hydrogen 2.778 N/A LYS 161.A NZ LYS 78.A O no hydrogen 3.007 N/A LYS 161.A NZ ILE 80.A O no hydrogen 3.123 N/A LYS 161.A NZ GLU 98.A OE1 no hydrogen 2.753 N/A ILE 162.A N ASN 79.A O no hydrogen 2.919 N/A ALA 163.A N ASN 151.A O no hydrogen 2.843 N/A ARG 169.A N ILE 143.A O no hydrogen 2.941 N/A ARG 169.A NH1 GLY 166.A O no hydrogen 3.300 N/A ARG 169.A NH1 ALA 168.A O no hydrogen 2.956 N/A ILE 171.A N LYS 141.A O no hydrogen 2.885 N/A ASN 172.A N ASP 170.A OD1 no hydrogen 2.904 N/A ASN 173.A N ASP 170.A O no hydrogen 2.818 N/A TYR 177.A N ARG 198.A O no hydrogen 3.035 N/A LYS 178.A N ASP 175.A O no hydrogen 3.432 N/A THR 181.A N LYS 178.A O no hydrogen 2.949 N/A THR 181.A OG1 ASP 175.A O no hydrogen 2.479 N/A THR 181.A OG1 LYS 178.A O no hydrogen 3.476 N/A ASN 182.A ND2 ALA 194.A O no hydrogen 2.874 N/A ASN 182.A ND2 VAL 199.A O no hydrogen 3.119 N/A GLY 183.A N THR 180.A O no hydrogen 3.114 N/A LEU 185.A N ASN 182.A O no hydrogen 3.436 N/A LYS 188.A NZ PRO 223.A O no hydrogen 3.161 N/A LYS 188.A NZ TYR 224.A O no hydrogen 2.990 N/A LYS 188.A NZ ILE 227.A O no hydrogen 2.700 N/A TRP 189.A N PRO 186.A O no hydrogen 3.228 N/A TRP 189.A NE1 GLU 215.A OE2 no hydrogen 2.749 N/A MET 190.A N VAL 187.A O no hydrogen 3.311 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.863 N/A ALA 194.A N ALA 191.A O no hydrogen 3.061 N/A LEU 195.A N PRO 192.A O no hydrogen 3.183 N/A PHE 196.A N PRO 192.A O no hydrogen 2.791 N/A ASP 197.A N GLU 193.A O no hydrogen 2.802 N/A ARG 198.A NH1 THR 181.A O no hydrogen 3.019 N/A TYR 200.A OH ASP 205.A OD2 no hydrogen 2.528 N/A THR 201.A N SER 204.A OG no hydrogen 3.197 N/A SER 204.A N THR 201.A O no hydrogen 3.037 N/A SER 204.A OG GLU 193.A OE2 no hydrogen 2.958 N/A VAL 206.A N HIS 202.A O no hydrogen 3.125 N/A TRP 207.A N GLN 203.A O no hydrogen 3.369 N/A SER 208.A N SER 204.A O no hydrogen 3.402 N/A SER 208.A OG TRP 189.A O no hydrogen 2.654 N/A SER 208.A OG SER 204.A O no hydrogen 3.550 N/A PHE 209.A N ASP 205.A O no hydrogen 2.888 N/A GLY 210.A N VAL 206.A O no hydrogen 3.042 N/A VAL 211.A N TRP 207.A O no hydrogen 3.288 N/A LEU 212.A N SER 208.A O no hydrogen 2.916 N/A MET 213.A N PHE 209.A O no hydrogen 2.859 N/A TRP 214.A N GLY 210.A O no hydrogen 3.173 N/A TRP 214.A NE1 ASP 243.A O no hydrogen 3.130 N/A GLU 215.A N VAL 211.A O no hydrogen 3.033 N/A ILE 216.A N LEU 212.A O no hydrogen 3.000 N/A PHE 217.A N MET 213.A O no hydrogen 3.048 N/A THR 218.A N TRP 214.A O no hydrogen 2.981 N/A THR 218.A OG1 TRP 214.A O no hydrogen 2.805 N/A THR 218.A OG1 GLU 215.A O no hydrogen 3.249 N/A LEU 219.A N ILE 216.A O no hydrogen 3.023 N/A GLY 220.A N GLU 215.A O no hydrogen 2.795 N/A GLY 221.A N THR 218.A OG1 no hydrogen 3.033 N/A ILE 227.A N TYR 224.A O no hydrogen 3.045 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.796 N/A GLU 231.A N PRO 228.A O no hydrogen 3.148 N/A LEU 232.A N VAL 229.A O no hydrogen 3.315 N/A LEU 235.A N GLU 231.A O no hydrogen 3.381 N/A LEU 236.A N LEU 232.A O no hydrogen 2.840 N/A LYS 237.A N PHE 233.A O no hydrogen 3.018 N/A GLU 238.A N LYS 234.A O no hydrogen 3.125 N/A GLY 239.A N LEU 236.A O no hydrogen 2.919 N/A HIS 240.A N LEU 235.A O no hydrogen 2.872 N/A ARG 241.A NE TRP 260.A O no hydrogen 2.842 N/A ARG 241.A NH1 LEU 236.A O no hydrogen 3.361 N/A ARG 241.A NH1 HIS 240.A O no hydrogen 2.828 N/A ARG 241.A NH2 TRP 260.A O no hydrogen 3.037 N/A LYS 244.A NZ PRO 245.A O no hydrogen 3.317 N/A LYS 244.A NZ CYS 248.A O no hydrogen 2.559 N/A CYS 248.A SG THR 249.A O no hydrogen 3.338 N/A LEU 252.A N THR 249.A OG1 no hydrogen 3.125 N/A TYR 253.A N THR 249.A O no hydrogen 3.061 N/A TYR 253.A OH MET 242.A O no hydrogen 2.661 N/A MET 254.A N ASN 250.A O no hydrogen 2.821 N/A MET 255.A N GLU 251.A O no hydrogen 3.059 N/A MET 256.A N LEU 252.A O no hydrogen 3.129 N/A ARG 257.A N TYR 253.A O no hydrogen 2.960 N/A ARG 257.A NH1 TYR 253.A OH no hydrogen 2.757 N/A ASP 258.A N MET 254.A O no hydrogen 2.916 N/A CYS 259.A N MET 255.A O no hydrogen 3.033 N/A CYS 259.A SG MET 255.A O no hydrogen 3.423 N/A TRP 260.A N MET 256.A O no hydrogen 3.072 N/A TRP 260.A N ARG 257.A O no hydrogen 3.053 N/A HIS 261.A N ASP 258.A O no hydrogen 3.117 N/A GLN 266.A N VAL 263.A O no hydrogen 2.907 N/A ARG 267.A N PRO 264.A O no hydrogen 3.016 N/A ARG 267.A NE HIS 261.A O no hydrogen 2.812 N/A ARG 267.A NH1 GLU 193.A OE2 no hydrogen 2.799 N/A ARG 267.A NH1 GLN 203.A O no hydrogen 2.751 N/A ARG 267.A NH2 GLU 193.A OE1 no hydrogen 2.748 N/A ARG 267.A NH2 GLU 193.A OE2 no hydrogen 3.526 N/A ARG 267.A NH2 HIS 261.A O no hydrogen 3.337 N/A ARG 267.A NH2 ALA 262.A O no hydrogen 3.480 N/A THR 269.A N GLN 272.A OE1 no hydrogen 3.105 N/A LYS 271.A NZ GLU 275.A OE2 no hydrogen 2.797 N/A GLN 272.A N THR 269.A OG1 no hydrogen 3.263 N/A LEU 273.A N THR 269.A O no hydrogen 3.033 N/A VAL 274.A N PHE 270.A O no hydrogen 2.883 N/A GLU 275.A N LYS 271.A O no hydrogen 3.123 N/A ASP 276.A N GLN 272.A O no hydrogen 2.916 N/A LEU 277.A N LEU 273.A O no hydrogen 2.865 N/A ASP 278.A N VAL 274.A O no hydrogen 2.794 N/A ARG 279.A N GLU 275.A O no hydrogen 3.172 N/A ARG 279.A NH1 ASP 276.A OD1 no hydrogen 3.435 N/A ILE 280.A N ASP 276.A O no hydrogen 3.047 N/A LEU 281.A N LEU 277.A O no hydrogen 2.854 N/A THR 282.A N ASP 278.A O no hydrogen 2.920 N/A THR 282.A OG1 ASP 278.A O no hydrogen 2.709 N/A THR 282.A OG1 ASP 278.A OD1 no hydrogen 3.392 N/A LEU 283.A N ARG 279.A O no hydrogen 3.130 N/A THR 284.A N ILE 280.A O no hydrogen 2.929 N/A THR 284.A OG1 ILE 280.A O no hydrogen 2.748 N/A THR 285.A N LEU 281.A O no hydrogen 2.848 N/A