Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ocg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A N VAL 17.A O no hydrogen 2.889 N/A TYR 6.A OH TYR 21.A O no hydrogen 2.680 N/A GLN 8.A N TRP 15.A O no hydrogen 3.003 N/A LEU 10.A N THR 13.A O no hydrogen 2.783 N/A THR 13.A N LEU 10.A O no hydrogen 3.191 N/A TRP 15.A N GLN 8.A O no hydrogen 2.809 N/A GLU 16.A N TYR 100.A OH no hydrogen 3.050 N/A VAL 17.A N TYR 6.A O no hydrogen 3.236 N/A GLU 19.A N THR 4.A O no hydrogen 2.965 N/A ARG 20.A NE ASP 40.A OD2 no hydrogen 3.020 N/A ARG 20.A NH2 ASP 40.A OD1 no hydrogen 2.753 N/A ARG 20.A NH2 ASP 40.A OD2 no hydrogen 2.822 N/A TYR 21.A N PRO 18.A O no hydrogen 3.199 N/A TYR 21.A OH ASP 85.A OD2 no hydrogen 2.443 N/A GLN 22.A N PHE 39.A O no hydrogen 2.951 N/A GLN 22.A NE2 GLU 19.A O no hydrogen 2.466 N/A SER 25.A N ALA 37.A O no hydrogen 2.865 N/A SER 25.A OG ASN 23.A O no hydrogen 3.451 N/A SER 25.A OG ALA 37.A O no hydrogen 3.544 N/A VAL 27.A N VAL 35.A O no hydrogen 2.977 N/A VAL 35.A N GLY 28.A O no hydrogen 2.964 N/A CYS 36.A N VAL 49.A O no hydrogen 2.797 N/A ALA 37.A N SER 25.A O no hydrogen 2.712 N/A ALA 38.A N VAL 47.A O no hydrogen 2.756 N/A PHE 39.A N GLN 22.A O no hydrogen 2.880 N/A ASP 40.A N LEU 45.A O no hydrogen 2.659 N/A THR 41.A N ARG 20.A O no hydrogen 2.577 N/A THR 43.A OG1 ASP 40.A OD1 no hydrogen 2.951 N/A GLY 44.A N ASP 40.A O no hydrogen 2.758 N/A LEU 45.A N THR 43.A OG1 no hydrogen 3.413 N/A VAL 47.A N ALA 38.A O no hydrogen 2.708 N/A ALA 48.A N THR 103.A O no hydrogen 2.894 N/A VAL 49.A N CYS 36.A O no hydrogen 2.726 N/A LYS 50.A N LEU 101.A O no hydrogen 2.745 N/A LYS 50.A NZ GLU 68.A OE1 no hydrogen 2.620 N/A LYS 50.A NZ GLU 68.A OE2 no hydrogen 3.555 N/A LYS 51.A N SER 34.A O no hydrogen 3.199 N/A LYS 51.A NZ ILE 14.A O no hydrogen 2.609 N/A LEU 52.A N VAL 99.A O no hydrogen 3.044 N/A SER 53.A N TYR 32.A O no hydrogen 3.109 N/A GLN 57.A N ARG 54.A O no hydrogen 3.432 N/A HIS 61.A N SER 58.A OG no hydrogen 3.202 N/A HIS 61.A ND1 ARG 54.A O no hydrogen 2.799 N/A ALA 62.A N SER 58.A O no hydrogen 2.964 N/A LYS 63.A N ILE 59.A O no hydrogen 3.374 N/A LYS 63.A NZ GLU 312.A O no hydrogen 2.763 N/A ARG 64.A N ILE 60.A O no hydrogen 3.156 N/A THR 65.A N HIS 61.A O no hydrogen 2.816 N/A THR 65.A OG1 PRO 55.A O no hydrogen 3.055 N/A THR 65.A OG1 HIS 61.A O no hydrogen 2.706 N/A TYR 66.A N ALA 62.A O no hydrogen 3.362 N/A ARG 67.A N LYS 63.A O no hydrogen 2.914 N/A ARG 67.A NE GLU 312.A OE1 no hydrogen 2.763 N/A ARG 67.A NE GLU 312.A OE2 no hydrogen 3.312 N/A ARG 67.A NH2 GLU 312.A OE2 no hydrogen 2.780 N/A GLU 68.A N ARG 64.A O no hydrogen 2.980 N/A LEU 69.A N THR 65.A O no hydrogen 3.150 N/A ARG 70.A N TYR 66.A O no hydrogen 2.878 N/A LEU 71.A N ARG 67.A O no hydrogen 2.905 N/A LEU 72.A N GLU 68.A O no hydrogen 3.007 N/A LYS 73.A N LEU 69.A O no hydrogen 3.002 N/A LYS 73.A NZ GLU 328.A O no hydrogen 2.821 N/A LYS 73.A NZ GLU 328.A OE2 no hydrogen 2.729 N/A LYS 73.A NZ SER 331.A OG no hydrogen 2.969 N/A HIS 74.A N ARG 70.A O no hydrogen 3.136 N/A HIS 74.A NE2 PRO 306.A O no hydrogen 3.167 N/A MET 75.A N LEU 71.A O no hydrogen 3.261 N/A LYS 76.A N TYR 137.A OH no hydrogen 2.815 N/A ASN 79.A N HIS 77.A ND1 no hydrogen 2.935 N/A ASN 79.A ND2 LEU 161.A O no hydrogen 3.296 N/A VAL 80.A N HIS 77.A O no hydrogen 3.282 N/A ILE 81.A N ILE 163.A O no hydrogen 2.922 N/A LEU 84.A N VAL 102.A O no hydrogen 2.787 N/A ASP 85.A N VAL 102.A O no hydrogen 3.305 N/A PHE 87.A N TYR 100.A O no hydrogen 3.055 N/A THR 88.A OG1 ASP 98.A O no hydrogen 2.708 N/A ARG 91.A N GLU 95.A OE2 no hydrogen 2.765 N/A ARG 91.A NE ARG 91.A O no hydrogen 2.566 N/A PHE 96.A N LEU 93.A O no hydrogen 3.425 N/A TYR 100.A N PHE 87.A O no hydrogen 2.928 N/A LEU 101.A N LYS 50.A O no hydrogen 2.872 N/A VAL 102.A N ASP 85.A O no hydrogen 2.806 N/A THR 103.A N ALA 48.A O no hydrogen 3.043 N/A THR 103.A OG1 HIS 104.A O no hydrogen 3.026 N/A GLY 107.A N VAL 155.A O no hydrogen 2.992 N/A ALA 108.A N VAL 155.A O no hydrogen 3.119 N/A LEU 110.A N PRO 150.A O no hydrogen 2.969 N/A LEU 110.A N LEU 153.A O no hydrogen 3.063 N/A ASN 111.A N ASP 109.A OD2 no hydrogen 3.028 N/A ASN 112.A N ASP 109.A OD2 no hydrogen 3.247 N/A VAL 114.A N LEU 110.A O no hydrogen 3.522 N/A LYS 115.A N ASN 111.A O no hydrogen 3.325 N/A LYS 115.A N ASN 112.A O no hydrogen 3.340 N/A CYS 116.A N ASN 112.A O no hydrogen 3.385 N/A CYS 116.A SG ASN 112.A O no hydrogen 3.360 N/A CYS 116.A SG ILE 113.A O no hydrogen 3.550 N/A VAL 124.A N THR 120.A O no hydrogen 3.063 N/A GLN 125.A N ASP 121.A O no hydrogen 2.924 N/A GLN 125.A NE2 ASP 121.A OD2 no hydrogen 2.823 N/A PHE 126.A N ASP 122.A O no hydrogen 3.043 N/A LEU 127.A N HIS 123.A O no hydrogen 3.125 N/A ILE 128.A N VAL 124.A O no hydrogen 2.831 N/A TYR 129.A N GLN 125.A O no hydrogen 2.801 N/A TYR 129.A OH GLU 301.A OE2 no hydrogen 2.776 N/A GLN 130.A N PHE 126.A O no hydrogen 3.116 N/A GLN 130.A NE2 PHE 126.A O no hydrogen 3.076 N/A GLN 130.A NE2 CYS 159.A O no hydrogen 2.893 N/A ILE 131.A N LEU 127.A O no hydrogen 3.069 N/A LEU 132.A N ILE 128.A O no hydrogen 2.957 N/A ARG 133.A N TYR 129.A O no hydrogen 2.873 N/A ARG 133.A NE ASP 300.A O no hydrogen 2.751 N/A ARG 133.A NH1 GLU 78.A OE2 no hydrogen 3.261 N/A ARG 133.A NH1 ASN 79.A OD1 no hydrogen 3.086 N/A ARG 133.A NH2 GLU 78.A OE2 no hydrogen 3.000 N/A ARG 133.A NH2 ASP 300.A O no hydrogen 3.296 N/A GLY 134.A N GLN 130.A O no hydrogen 3.016 N/A LEU 135.A N ILE 131.A O no hydrogen 2.892 N/A LYS 136.A N LEU 132.A O no hydrogen 2.972 N/A LYS 136.A NZ GLU 301.A O no hydrogen 2.778 N/A TYR 137.A N ARG 133.A O no hydrogen 3.492 N/A ILE 138.A N GLY 134.A O no hydrogen 2.923 N/A HIS 139.A N LEU 135.A O no hydrogen 2.688 N/A HIS 139.A NE2 ASP 189.A OD2 no hydrogen 2.710 N/A SER 140.A N LYS 136.A O no hydrogen 2.913 N/A SER 140.A OG LYS 136.A O no hydrogen 3.485 N/A SER 140.A OG TYR 137.A O no hydrogen 2.773 N/A ALA 141.A N ILE 138.A O no hydrogen 3.044 N/A ASP 142.A N HIS 139.A O no hydrogen 3.077 N/A HIS 145.A N ASP 189.A OD2 no hydrogen 2.766 N/A ARG 146.A N ASP 189.A OD1 no hydrogen 2.891 N/A ARG 146.A NE TYR 184.A OH no hydrogen 3.093 N/A ASP 147.A N HIS 145.A ND1 no hydrogen 3.068 N/A LYS 149.A N ASN 152.A OD1 no hydrogen 3.161 N/A LYS 149.A NZ SER 151.A OG no hydrogen 3.247 N/A ASN 152.A N LYS 149.A O no hydrogen 3.106 N/A ASN 152.A ND2 ASP 147.A O no hydrogen 2.864 N/A ALA 154.A N LYS 162.A O no hydrogen 2.918 N/A VAL 155.A N ALA 108.A O no hydrogen 2.695 N/A ASN 156.A N GLU 160.A O no hydrogen 2.894 N/A CYS 159.A SG HIS 123.A NE2 no hydrogen 3.855 N/A CYS 159.A SG ASP 158.A O no hydrogen 2.779 N/A LEU 161.A N GLN 130.A OE1 no hydrogen 2.878 N/A LYS 162.A N ALA 154.A O no hydrogen 2.698 N/A LYS 162.A NZ GLU 78.A O no hydrogen 2.699 N/A ILE 163.A N ASN 79.A O no hydrogen 2.885 N/A LEU 164.A N ASN 152.A O no hydrogen 2.637 N/A THR 169.A OG1 ASP 147.A OD1 no hydrogen 2.705 N/A THR 169.A OG1 ASP 147.A OD2 no hydrogen 3.334 N/A TRP 171.A NE1 GLY 209.A O no hydrogen 3.111 N/A TYR 172.A OH GLU 199.A OE1 no hydrogen 2.599 N/A ARG 173.A NH2 ARG 146.A O no hydrogen 2.790 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.647 N/A ILE 177.A N ALA 174.A O no hydrogen 3.151 N/A MET 178.A N PRO 175.A O no hydrogen 3.155 N/A LEU 179.A N PRO 175.A O no hydrogen 3.203 N/A HIS 183.A N TRP 181.A O no hydrogen 2.541 N/A ASN 185.A ND2 SER 277.A O no hydrogen 3.019 N/A GLN 186.A NE2 HIS 139.A O no hydrogen 2.831 N/A THR 187.A N ASN 185.A OD1 no hydrogen 3.059 N/A THR 187.A OG1 ASN 185.A OD1 no hydrogen 2.516 N/A THR 187.A OG1 SER 277.A O no hydrogen 3.272 N/A ASP 189.A N GLN 186.A O no hydrogen 3.047 N/A TRP 191.A N THR 187.A O no hydrogen 2.994 N/A SER 192.A OG TYR 172.A O no hydrogen 2.690 N/A SER 192.A OG VAL 188.A O no hydrogen 3.392 N/A VAL 193.A N ASP 189.A O no hydrogen 3.014 N/A GLY 194.A N ILE 190.A O no hydrogen 2.999 N/A CYS 195.A N TRP 191.A O no hydrogen 3.084 N/A CYS 195.A SG TRP 191.A O no hydrogen 3.334 N/A ILE 196.A N SER 192.A O no hydrogen 2.927 N/A MET 197.A N VAL 193.A O no hydrogen 2.801 N/A ALA 198.A N GLY 194.A O no hydrogen 2.996 N/A GLU 199.A N CYS 195.A O no hydrogen 3.252 N/A LEU 200.A N ILE 196.A O no hydrogen 2.855 N/A LEU 201.A N MET 197.A O no hydrogen 3.065 N/A THR 202.A N ALA 198.A O no hydrogen 3.008 N/A THR 202.A OG1 ALA 198.A O no hydrogen 3.287 N/A GLY 203.A N GLU 199.A O no hydrogen 2.817 N/A ARG 204.A N THR 202.A OG1 no hydrogen 3.181 N/A GLY 209.A N PHE 207.A O no hydrogen 3.022 N/A GLY 209.A N GLN 215.A OE1 no hydrogen 2.876 N/A THR 210.A N ASP 214.A OD2 no hydrogen 2.893 N/A THR 210.A OG1 ASP 214.A OD2 no hydrogen 3.456 N/A ILE 213.A N ASP 211.A OD1 no hydrogen 3.164 N/A ASP 214.A N ASP 211.A OD1 no hydrogen 2.949 N/A GLN 215.A N ASP 211.A O no hydrogen 2.851 N/A GLN 215.A NE2 TRP 171.A O no hydrogen 3.588 N/A GLN 215.A NE2 PHE 207.A O no hydrogen 2.976 N/A LYS 217.A N ILE 213.A O no hydrogen 3.113 N/A LEU 218.A N ASP 214.A O no hydrogen 3.034 N/A ILE 219.A N GLN 215.A O no hydrogen 3.055 N/A LEU 220.A N LEU 216.A O no hydrogen 3.033 N/A ARG 221.A N LYS 217.A O no hydrogen 3.186 N/A LEU 222.A N ILE 219.A O no hydrogen 3.250 N/A VAL 223.A N ILE 219.A O no hydrogen 3.006 N/A GLY 224.A N LEU 220.A O no hydrogen 2.798 N/A THR 225.A N MET 249.A O no hydrogen 2.940 N/A LEU 231.A N GLY 227.A O no hydrogen 3.029 N/A LYS 232.A N ALA 228.A O no hydrogen 3.207 N/A LYS 232.A NZ ALA 228.A O no hydrogen 2.947 N/A LYS 233.A N LEU 230.A O no hydrogen 2.995 N/A LYS 233.A NZ ASP 276.A OD1 no hydrogen 2.768 N/A ILE 234.A N LEU 231.A O no hydrogen 3.285 N/A ARG 240.A N SER 236.A O no hydrogen 2.943 N/A ARG 240.A NE ILE 234.A O no hydrogen 2.700 N/A ARG 240.A NH2 SER 235.A O no hydrogen 3.002 N/A ASN 241.A N GLU 237.A O no hydrogen 2.781 N/A TYR 242.A N SER 238.A O no hydrogen 2.984 N/A ILE 243.A N ALA 239.A O no hydrogen 3.019 N/A GLN 244.A N ARG 240.A O no hydrogen 3.003 N/A SER 245.A N TYR 242.A O no hydrogen 3.248 N/A SER 245.A OG TYR 242.A O no hydrogen 2.614 N/A LEU 246.A N ILE 243.A O no hydrogen 3.430 N/A LYS 251.A NZ MET 252.A O no hydrogen 3.013 N/A LYS 251.A NZ GLU 270.A OE2 no hydrogen 3.002 N/A MET 252.A N LEU 222.A O no hydrogen 2.904 N/A PHE 254.A N GLU 270.A OE2 no hydrogen 3.048 N/A ASN 256.A N ASN 253.A O no hydrogen 3.223 N/A VAL 257.A N PHE 254.A O no hydrogen 3.322 N/A PHE 258.A N PHE 254.A O no hydrogen 2.807 N/A ALA 261.A N PHE 258.A O no hydrogen 3.325 N/A ASN 262.A ND2 ASP 121.A OD2 no hydrogen 2.975 N/A LEU 264.A N ASN 262.A OD1 no hydrogen 2.899 N/A ALA 265.A N ASN 262.A O no hydrogen 2.910 N/A VAL 266.A N ASN 262.A O no hydrogen 3.213 N/A ASP 267.A N PRO 263.A O no hydrogen 3.028 N/A LEU 268.A N LEU 264.A O no hydrogen 3.200 N/A LEU 269.A N ALA 265.A O no hydrogen 2.861 N/A GLU 270.A N VAL 266.A O no hydrogen 2.979 N/A LYS 271.A N ASP 267.A O no hydrogen 3.209 N/A LYS 271.A NZ ASP 267.A OD1 no hydrogen 2.755 N/A LYS 271.A NZ ASP 267.A OD2 no hydrogen 3.119 N/A MET 272.A N LEU 268.A O no hydrogen 3.127 N/A MET 272.A N LEU 269.A O no hydrogen 3.235 N/A LEU 273.A N LEU 269.A O no hydrogen 2.927 N/A ASP 278.A N ASP 276.A OD2 no hydrogen 3.457 N/A LYS 279.A N ASP 276.A O no hydrogen 2.753 N/A ARG 280.A N ASP 276.A O no hydrogen 3.118 N/A ARG 280.A NE VAL 274.A O no hydrogen 2.939 N/A ARG 280.A NH1 GLU 176.A OE2 no hydrogen 2.832 N/A ARG 280.A NH1 THR 187.A O no hydrogen 3.173 N/A ARG 280.A NH2 GLU 176.A OE1 no hydrogen 3.203 N/A ARG 280.A NH2 VAL 274.A O no hydrogen 2.968 N/A ILE 281.A N LYS 271.A O no hydrogen 3.222 N/A THR 282.A N GLN 285.A OE1 no hydrogen 3.364 N/A GLN 285.A N THR 282.A OG1 no hydrogen 3.304 N/A ALA 286.A N THR 282.A O no hydrogen 2.874 N/A LEU 287.A N ALA 283.A O no hydrogen 3.003 N/A ALA 288.A N GLN 285.A O no hydrogen 3.035 N/A HIS 289.A N ALA 286.A O no hydrogen 3.215 N/A HIS 289.A NE2 ASP 267.A OD2 no hydrogen 2.588 N/A TYR 291.A N HIS 289.A ND1 no hydrogen 3.110 N/A TYR 291.A OH ASP 121.A OD1 no hydrogen 2.762 N/A PHE 292.A N HIS 289.A O no hydrogen 3.339 N/A ALA 293.A N ALA 290.A O no hydrogen 2.835 N/A TYR 295.A N PHE 292.A O no hydrogen 2.866 N/A TYR 295.A OH ASP 122.A OD1 no hydrogen 2.728 N/A HIS 296.A N PHE 292.A O no hydrogen 2.662 N/A HIS 296.A ND1 GLU 301.A OE2 no hydrogen 2.690 N/A ASP 297.A N GLU 301.A OE2 no hydrogen 3.268 N/A ASP 299.A N ASP 297.A OD1 no hydrogen 3.013 N/A ASP 300.A N ASP 297.A O no hydrogen 2.862 N/A ALA 304.A N SER 140.A OG no hydrogen 2.786 N/A SER 310.A N ASP 308.A OD1 no hydrogen 3.125 N/A SER 310.A OG ASP 308.A OD1 no hydrogen 2.856 N/A SER 310.A OG ASP 308.A OD2 no hydrogen 3.476 N/A GLU 312.A N GLN 309.A O no hydrogen 3.163 N/A SER 313.A N SER 310.A O no hydrogen 2.808 N/A ARG 314.A N PHE 311.A O no hydrogen 3.083 N/A LEU 317.A N GLU 320.A OE1 no hydrogen 2.800 N/A GLU 320.A N LEU 317.A O no hydrogen 2.812 N/A TRP 321.A N LEU 317.A O no hydrogen 3.089 N/A LYS 322.A N ILE 318.A O no hydrogen 2.900 N/A LYS 322.A NZ PHE 96.A O no hydrogen 2.816 N/A LYS 322.A NZ ASN 97.A OD1 no hydrogen 3.146 N/A SER 323.A N ASP 319.A O no hydrogen 3.030 N/A LEU 324.A N GLU 320.A O no hydrogen 2.932 N/A THR 325.A N TRP 321.A O no hydrogen 2.853 N/A THR 325.A OG1 TRP 321.A O no hydrogen 2.843 N/A TYR 326.A N LYS 322.A O no hydrogen 2.783 N/A ASP 327.A N SER 323.A O no hydrogen 2.971 N/A VAL 329.A N THR 325.A O no hydrogen 3.059 N/A VAL 329.A N TYR 326.A O no hydrogen 3.246 N/A ILE 330.A N TYR 326.A O no hydrogen 3.110 N/A SER 331.A N ASP 327.A O no hydrogen 3.068 N/A SER 331.A OG ASP 327.A O no hydrogen 2.913 N/A PHE 332.A N VAL 329.A O no hydrogen 3.381 N/A