Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ecr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N GLN 33.A O no hydrogen 2.640 N/A ARG 5.A N ASP 55.A OD2 no hydrogen 2.962 N/A ARG 5.A NE ASP 55.A OD2 no hydrogen 3.201 N/A ARG 5.A NH1 ASN 52.A O no hydrogen 2.540 N/A ARG 5.A NH2 ASN 52.A O no hydrogen 3.151 N/A ARG 5.A NH2 ASP 55.A OD1 no hydrogen 2.600 N/A VAL 6.A N GLU 35.A O no hydrogen 2.730 N/A GLY 7.A N LEU 56.A O no hydrogen 2.943 N/A THR 8.A N ILE 37.A O no hydrogen 2.822 N/A THR 8.A OG1 ARG 9.A O no hydrogen 3.254 N/A THR 8.A OG1 ALA 14.A O no hydrogen 3.546 N/A THR 8.A OG1 THR 18.A OG1 no hydrogen 2.860 N/A ARG 15.A N SER 11.A O no hydrogen 3.057 N/A ILE 16.A N GLN 12.A O no hydrogen 2.900 N/A GLN 17.A N LEU 13.A O no hydrogen 2.910 N/A GLN 17.A NE2 SER 60.A OG no hydrogen 3.013 N/A THR 18.A N ALA 14.A O no hydrogen 2.937 N/A THR 18.A OG1 THR 8.A OG1 no hydrogen 2.860 N/A THR 18.A OG1 ALA 14.A O no hydrogen 2.870 N/A ASP 19.A N ARG 15.A O no hydrogen 3.019 N/A SER 20.A N ILE 16.A O no hydrogen 3.036 N/A SER 20.A OG GLN 17.A O no hydrogen 2.721 N/A VAL 21.A N GLN 17.A O no hydrogen 3.213 N/A VAL 22.A N THR 18.A O no hydrogen 2.937 N/A ALA 23.A N ASP 19.A O no hydrogen 2.910 N/A THR 24.A N SER 20.A O no hydrogen 3.183 N/A THR 24.A OG1 SER 20.A O no hydrogen 2.824 N/A LEU 25.A N VAL 21.A O no hydrogen 2.852 N/A LYS 26.A N VAL 22.A O no hydrogen 2.909 N/A LYS 26.A NZ PRO 30.A O no hydrogen 3.136 N/A ALA 27.A N ALA 23.A O no hydrogen 3.097 N/A SER 28.A N THR 24.A O no hydrogen 3.288 N/A SER 28.A OG THR 24.A O no hydrogen 2.877 N/A TYR 29.A N LEU 25.A O no hydrogen 2.725 N/A TYR 29.A OH LEU 198.A O no hydrogen 2.829 N/A LEU 32.A N TYR 29.A O no hydrogen 3.098 N/A GLN 33.A N ARG 2.A O no hydrogen 3.228 N/A GLU 35.A N ILE 4.A O no hydrogen 2.795 N/A ILE 37.A N VAL 6.A O no hydrogen 2.748 N/A MET 39.A N THR 8.A O no hydrogen 2.808 N/A GLU 44.A N PHE 41.A O no hydrogen 3.033 N/A GLU 46.A N THR 42.A O no hydrogen 3.027 N/A HIS 47.A N LYS 43.A O no hydrogen 3.351 N/A ALA 48.A N GLU 44.A O no hydrogen 3.150 N/A LEU 49.A N LEU 45.A O no hydrogen 2.975 N/A GLU 50.A N GLU 46.A O no hydrogen 2.733 N/A LYS 51.A N HIS 47.A O no hydrogen 2.810 N/A ASN 52.A N LEU 49.A O no hydrogen 3.026 N/A GLU 53.A N ALA 48.A O no hydrogen 2.750 N/A VAL 54.A N ALA 48.A O no hydrogen 3.297 N/A ASP 55.A N ARG 5.A O no hydrogen 2.677 N/A LEU 56.A N ARG 5.A O no hydrogen 3.284 N/A VAL 57.A N GLU 187.A O no hydrogen 2.986 N/A HIS 59.A N GLY 185.A O no hydrogen 2.857 N/A SER 60.A OG GLN 17.A OE1 no hydrogen 3.332 N/A LEU 61.A N ALA 183.A O no hydrogen 2.808 N/A LYS 62.A NZ GLN 181.A OE1 no hydrogen 2.762 N/A ASP 63.A N SER 60.A O no hydrogen 3.035 N/A LEU 64.A N LEU 61.A O no hydrogen 2.960 N/A PHE 72.A N PRO 69.A O no hydrogen 3.222 N/A THR 73.A N VAL 188.A O no hydrogen 3.046 N/A THR 73.A OG1 GLN 276.A OE1 no hydrogen 2.416 N/A THR 73.A OG1 GLY 279.A O no hydrogen 3.131 N/A THR 73.A OG1 THR 281.A OG1 no hydrogen 2.697 N/A ILE 74.A N GLY 279.A O no hydrogen 2.763 N/A GLY 75.A N VAL 186.A O no hydrogen 2.768 N/A ILE 77.A N HIS 203.A ND1 no hydrogen 3.171 N/A CYS 78.A N LEU 184.A O no hydrogen 3.151 N/A ARG 80.A N THR 207.A OG1 no hydrogen 3.032 N/A ARG 80.A NE GLN 181.A O no hydrogen 2.769 N/A ARG 80.A NH1 GLU 214.A OE2 no hydrogen 2.738 N/A ARG 80.A NH2 GLN 181.A O no hydrogen 3.057 N/A ARG 80.A NH2 GLU 214.A OE1 no hydrogen 2.803 N/A ARG 80.A NH2 GLU 214.A OE2 no hydrogen 3.296 N/A GLU 81.A N GLY 182.A O no hydrogen 2.923 N/A HIS 84.A N ASN 82.A OD1 no hydrogen 2.917 N/A HIS 84.A ND1 ASN 82.A OD1 no hydrogen 2.594 N/A ALA 86.A N LEU 152.A O no hydrogen 2.658 N/A VAL 87.A N GLN 168.A O no hydrogen 2.705 N/A VAL 88.A N ILE 150.A O no hydrogen 2.964 N/A HIS 90.A N SER 148.A O no hydrogen 2.873 N/A HIS 90.A NE2 GLN 144.A O no hydrogen 3.003 N/A PHE 93.A N HIS 90.A O no hydrogen 2.797 N/A LYS 96.A N PHE 93.A O no hydrogen 2.991 N/A THR 97.A N THR 100.A OG1 no hydrogen 2.494 N/A THR 97.A OG1 GLU 99.A OE1 no hydrogen 3.115 N/A THR 97.A OG1 THR 100.A OG1 no hydrogen 3.281 N/A LEU 98.A N GLN 168.A OE1 no hydrogen 2.879 N/A GLU 99.A N GLU 99.A OE1 no hydrogen 2.625 N/A THR 100.A N THR 97.A O no hydrogen 2.898 N/A THR 100.A N THR 97.A OG1 no hydrogen 3.001 N/A THR 100.A OG1 THR 97.A O no hydrogen 2.955 N/A THR 100.A OG1 THR 97.A OG1 no hydrogen 3.281 N/A LEU 101.A N THR 97.A O no hydrogen 2.884 N/A LEU 101.A N LEU 98.A O no hydrogen 3.293 N/A LYS 104.A N HIS 124.A O no hydrogen 2.662 N/A SER 105.A N PRO 102.A O no hydrogen 3.076 N/A SER 105.A OG PRO 102.A O no hydrogen 2.720 N/A VAL 107.A N GLU 126.A O no hydrogen 2.630 N/A GLY 108.A N ALA 149.A O no hydrogen 2.851 N/A THR 109.A N ARG 128.A O no hydrogen 2.898 N/A SER 110.A OG ILE 130.A O no hydrogen 2.588 N/A SER 111.A N THR 109.A OG1 no hydrogen 3.161 N/A ARG 113.A NH1 ASP 85.A OD2 no hydrogen 2.573 N/A ARG 113.A NH1 MET 176.A O no hydrogen 2.807 N/A ARG 113.A NH2 ASP 85.A OD1 no hydrogen 3.413 N/A ARG 113.A NH2 ASP 85.A OD2 no hydrogen 3.331 N/A ARG 114.A N SER 111.A OG no hydrogen 3.278 N/A ARG 114.A NH2 ASP 85.A OD1 no hydrogen 3.169 N/A ALA 115.A N SER 111.A O no hydrogen 2.854 N/A ALA 116.A N LEU 112.A O no hydrogen 2.889 N/A GLN 117.A N ARG 113.A O no hydrogen 3.448 N/A GLN 117.A NE2 ARG 113.A O no hydrogen 3.100 N/A GLN 117.A NE2 MET 176.A O no hydrogen 3.067 N/A LEU 118.A N ARG 114.A O no hydrogen 2.884 N/A GLN 119.A N ALA 115.A O no hydrogen 2.909 N/A ARG 120.A N ALA 116.A O no hydrogen 3.359 N/A ARG 120.A NE GLY 249.A O no hydrogen 2.605 N/A ARG 120.A NH2 GLY 249.A O no hydrogen 3.345 N/A ARG 120.A NH2 SER 250.A O no hydrogen 2.580 N/A LYS 121.A N GLN 117.A O no hydrogen 3.163 N/A PHE 122.A N LEU 118.A O no hydrogen 2.734 N/A LEU 125.A N PHE 122.A O no hydrogen 3.246 N/A GLU 126.A N SER 105.A O no hydrogen 2.819 N/A ARG 128.A N VAL 107.A O no hydrogen 2.936 N/A ARG 128.A NH1 GLU 146.A OE1 no hydrogen 3.508 N/A ILE 130.A N SER 110.A OG no hydrogen 3.007 N/A THR 136.A N ASN 133.A OD1 no hydrogen 2.812 N/A THR 136.A OG1 ASN 133.A OD1 no hydrogen 3.333 N/A ARG 137.A N ASN 133.A O no hydrogen 2.892 N/A ARG 137.A NE GLY 132.A O no hydrogen 3.065 N/A LEU 138.A N LEU 134.A O no hydrogen 3.108 N/A ARG 139.A N ASN 135.A O no hydrogen 3.153 N/A LYS 140.A N THR 136.A O no hydrogen 3.022 N/A LEU 141.A N ARG 137.A O no hydrogen 3.063 N/A ASP 142.A N LEU 138.A O no hydrogen 3.154 N/A GLU 143.A N ARG 139.A O no hydrogen 2.788 N/A GLN 144.A N LYS 140.A O no hydrogen 3.234 N/A SER 148.A N VAL 106.A O no hydrogen 2.839 N/A ILE 150.A N VAL 88.A O no hydrogen 2.920 N/A ILE 151.A N GLY 108.A O no hydrogen 3.100 N/A LEU 152.A N ALA 86.A O no hydrogen 2.953 N/A THR 154.A N HIS 84.A O no hydrogen 2.920 N/A THR 154.A OG1 HIS 84.A O no hydrogen 2.685 N/A GLY 156.A N ALA 153.A O no hydrogen 3.320 N/A LEU 157.A N ALA 153.A O no hydrogen 3.464 N/A GLN 158.A N THR 154.A O no hydrogen 3.081 N/A ARG 159.A N ALA 155.A O no hydrogen 3.086 N/A ARG 159.A NH2 GLY 182.A O no hydrogen 3.069 N/A MET 160.A N GLY 156.A O no hydrogen 3.076 N/A GLY 161.A N GLN 158.A O no hydrogen 2.994 N/A TRP 162.A N LEU 157.A O no hydrogen 2.765 N/A ARG 165.A N TRP 162.A O no hydrogen 2.910 N/A ARG 165.A NH1 ASP 142.A OD2 no hydrogen 2.996 N/A ARG 165.A NH2 ASP 142.A OD1 no hydrogen 2.888 N/A VAL 166.A N HIS 163.A O no hydrogen 3.049 N/A GLY 167.A N VAL 87.A O no hydrogen 2.828 N/A GLN 168.A N VAL 87.A O no hydrogen 3.184 N/A GLN 168.A NE2 GLU 99.A OE1 no hydrogen 3.308 N/A LEU 170.A N ASP 85.A O no hydrogen 2.940 N/A GLU 174.A N HIS 171.A O no hydrogen 2.888 N/A CYS 175.A N HIS 171.A O no hydrogen 2.847 N/A CYS 175.A SG ASP 85.A OD2 no hydrogen 3.137 N/A CYS 175.A SG MET 176.A O no hydrogen 3.991 N/A MET 176.A N GLN 117.A OE1 no hydrogen 2.793 N/A GLY 180.A N GLU 214.A OE1 no hydrogen 2.819 N/A GLN 181.A N ALA 178.A O no hydrogen 3.134 N/A GLN 181.A NE2 PRO 83.A O no hydrogen 2.627 N/A GLN 181.A NE2 ASP 85.A OD1 no hydrogen 2.498 N/A ALA 183.A N GLY 180.A O no hydrogen 3.177 N/A GLY 185.A N HIS 59.A O no hydrogen 2.931 N/A VAL 186.A N ALA 76.A O no hydrogen 2.948 N/A GLU 187.A N VAL 57.A O no hydrogen 2.812 N/A VAL 188.A N THR 73.A O no hydrogen 2.905 N/A ARG 189.A NH1 LEU 49.A O no hydrogen 2.910 N/A ARG 189.A NH1 VAL 54.A O no hydrogen 2.893 N/A ARG 189.A NH2 ASP 55.A OD1 no hydrogen 3.218 N/A ARG 189.A NH2 ASP 192.A OD2 no hydrogen 2.738 N/A ALA 190.A N GLY 71.A O no hydrogen 3.091 N/A ASP 192.A N ARG 189.A O no hydrogen 3.252 N/A ILE 195.A N ASP 192.A OD1 no hydrogen 3.222 N/A LEU 196.A N ASP 192.A O no hydrogen 3.124 N/A ASP 197.A N GLN 193.A O no hydrogen 2.868 N/A LEU 198.A N ASP 194.A O no hydrogen 2.920 N/A VAL 199.A N ILE 195.A O no hydrogen 2.935 N/A GLY 200.A N LEU 196.A O no hydrogen 3.014 N/A GLY 200.A N ASP 197.A O no hydrogen 3.250 N/A VAL 201.A N LEU 198.A O no hydrogen 3.458 N/A LEU 202.A N VAL 199.A O no hydrogen 2.741 N/A HIS 203.A N GLY 200.A O no hydrogen 3.295 N/A HIS 203.A NE2 THR 281.A O no hydrogen 3.038 N/A ASP 204.A N ILE 77.A O no hydrogen 2.888 N/A THR 207.A N ASP 204.A OD2 no hydrogen 3.144 N/A THR 207.A OG1 ASP 204.A OD2 no hydrogen 2.620 N/A LEU 208.A N ASP 204.A O no hydrogen 2.703 N/A LEU 209.A N PRO 205.A O no hydrogen 2.986 N/A ARG 210.A N GLU 206.A O no hydrogen 3.061 N/A ARG 210.A NE THR 231.A OG1 no hydrogen 2.920 N/A ARG 210.A NH2 TYR 177.A OH no hydrogen 3.139 N/A CYS 211.A N THR 207.A O no hydrogen 2.994 N/A CYS 211.A SG THR 207.A O no hydrogen 3.194 N/A ILE 212.A N LEU 208.A O no hydrogen 2.968 N/A ALA 213.A N LEU 209.A O no hydrogen 2.938 N/A GLU 214.A N ARG 210.A O no hydrogen 2.950 N/A ARG 215.A N CYS 211.A O no hydrogen 2.957 N/A ALA 216.A N ILE 212.A O no hydrogen 2.921 N/A PHE 217.A N ALA 213.A O no hydrogen 2.969 N/A LEU 218.A N GLU 214.A O no hydrogen 3.101 N/A ARG 219.A N ARG 215.A O no hydrogen 2.894 N/A HIS 220.A N ALA 216.A O no hydrogen 3.020 N/A HIS 220.A NE2 ASN 302.A OD1 no hydrogen 2.637 N/A LEU 221.A N PHE 217.A O no hydrogen 3.213 N/A GLU 222.A N ARG 219.A O no hydrogen 3.089 N/A CYS 223.A SG LYS 62.A O no hydrogen 3.152 N/A ALA 228.A N GLY 243.A O no hydrogen 3.122 N/A VAL 229.A N TYR 177.A O no hydrogen 2.960 N/A HIS 230.A N THR 241.A O no hydrogen 2.740 N/A THR 231.A N TYR 177.A OH no hydrogen 3.030 N/A THR 231.A OG1 GLU 214.A OE2 no hydrogen 2.508 N/A ALA 232.A N TYR 239.A O no hydrogen 3.175 N/A LYS 234.A N GLN 237.A O no hydrogen 2.851 N/A GLN 237.A N LYS 234.A O no hydrogen 3.008 N/A GLN 237.A NE2 THR 260.A OG1 no hydrogen 2.689 N/A LEU 238.A N ALA 259.A O no hydrogen 2.928 N/A TYR 239.A N ALA 232.A O no hydrogen 2.796 N/A LEU 240.A N MET 257.A O no hydrogen 2.837 N/A THR 241.A N HIS 230.A O no hydrogen 2.867 N/A THR 241.A OG1 THR 256.A OG1 no hydrogen 2.716 N/A GLY 242.A N GLU 255.A O no hydrogen 2.955 N/A GLY 243.A N ALA 228.A O no hydrogen 2.950 N/A VAL 244.A N ILE 253.A O no hydrogen 2.867 N/A TRP 245.A N PRO 226.A O no hydrogen 3.230 N/A SER 246.A N ASP 251.A O no hydrogen 2.930 N/A SER 246.A OG ASP 248.A OD1 no hydrogen 2.842 N/A SER 246.A OG ASP 251.A O no hydrogen 3.545 N/A GLY 249.A N SER 246.A O no hydrogen 2.692 N/A SER 250.A N ASP 248.A OD1 no hydrogen 2.805 N/A SER 250.A OG ASP 248.A OD1 no hydrogen 2.606 N/A SER 250.A OG ASP 248.A OD2 no hydrogen 3.458 N/A ASP 251.A N SER 246.A OG no hydrogen 2.928 N/A SER 252.A OG VAL 244.A O no hydrogen 3.547 N/A ILE 253.A N VAL 244.A O no hydrogen 2.933 N/A GLN 254.A NE2 SER 252.A OG no hydrogen 3.004 N/A GLU 255.A N GLY 242.A O no hydrogen 2.991 N/A THR 256.A OG1 THR 241.A OG1 no hydrogen 2.716 N/A MET 257.A N LEU 240.A O no hydrogen 2.917 N/A GLN 258.A NE2 GLN 237.A OE1 no hydrogen 2.577 N/A ALA 259.A N LEU 238.A O no hydrogen 3.096 N/A ILE 261.A N GLY 236.A O no hydrogen 3.081 N/A GLU 268.A N ASN 284.A O no hydrogen 3.167 N/A ASP 274.A N PRO 271.A O no hydrogen 3.511 N/A LEU 277.A N ILE 280.A O no hydrogen 2.888 N/A ILE 280.A N LEU 277.A O no hydrogen 2.801 N/A THR 281.A N ILE 74.A O no hydrogen 2.763 N/A THR 281.A OG1 THR 73.A OG1 no hydrogen 2.697 N/A ASN 284.A N ASN 284.A OD1 no hydrogen 2.665 N/A ASN 284.A ND2 GLY 200.A O no hydrogen 2.961 N/A ILE 285.A N ALA 282.A O no hydrogen 3.163 N/A ARG 287.A NH1 PRO 275.A O no hydrogen 2.850 N/A ARG 287.A NH2 PRO 275.A O no hydrogen 2.698 N/A GLN 290.A NE2 ALA 282.A O no hydrogen 3.562 N/A LEU 291.A N ARG 287.A O no hydrogen 2.933 N/A ALA 292.A N GLY 288.A O no hydrogen 2.971 N/A ALA 293.A N PRO 289.A O no hydrogen 2.968 N/A GLN 294.A N GLN 290.A O no hydrogen 3.001 N/A ASN 295.A N LEU 291.A O no hydrogen 2.825 N/A LEU 296.A N ALA 292.A O no hydrogen 2.869 N/A GLY 297.A N ALA 293.A O no hydrogen 3.164 N/A ILE 298.A N GLN 294.A O no hydrogen 2.995 N/A SER 299.A N ASN 295.A O no hydrogen 2.859 N/A SER 299.A OG ASN 295.A O no hydrogen 2.868 N/A LEU 300.A N LEU 296.A O no hydrogen 3.104 N/A ALA 301.A N GLY 297.A O no hydrogen 3.092 N/A ASN 302.A N ILE 298.A O no hydrogen 2.991 N/A LEU 303.A N SER 299.A O no hydrogen 3.072 N/A LEU 304.A N LEU 300.A O no hydrogen 3.026 N/A LEU 305.A N ALA 301.A O no hydrogen 2.816 N/A SER 306.A N ASN 302.A O no hydrogen 2.855 N/A SER 306.A OG LEU 303.A O no hydrogen 2.922 N/A LYS 307.A N LEU 304.A O no hydrogen 3.011 N/A LYS 307.A NZ GLU 255.A OE2 no hydrogen 3.204 N/A GLY 308.A N LEU 305.A O no hydrogen 3.059 N/A ALA 309.A N LEU 304.A O no hydrogen 3.059 N/A ASN 311.A N GLY 308.A O no hydrogen 3.182 N/A LEU 313.A N ALA 309.A O no hydrogen 3.118 N/A ASP 314.A N LYS 310.A O no hydrogen 2.902 N/A VAL 315.A N ASN 311.A O no hydrogen 3.353 N/A ALA 316.A N LEU 313.A O no hydrogen 3.143 N/A