Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a0b_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N GLY 1.A O no hydrogen 2.462 N/A ILE 5.A N GLY 1.A O no hydrogen 3.274 N/A ILE 5.A N TRP 2.A O no hydrogen 2.927 N/A LEU 6.A N TRP 2.A O no hydrogen 3.137 N/A ASP 7.A N PHE 3.A O no hydrogen 3.121 N/A ASP 8.A N ASP 4.A O no hydrogen 2.636 N/A TRP 9.A N ILE 5.A O no hydrogen 3.099 N/A LEU 10.A N LEU 6.A O no hydrogen 3.061 N/A LYS 11.A NZ ASP 8.A O no hydrogen 3.338 N/A LYS 11.A NZ ASP 8.A OD2 no hydrogen 3.183 N/A ARG 12.A N LEU 10.A O no hydrogen 2.576 N/A TRP 20.A N GLU 119.A OE2 no hydrogen 2.697 N/A SER 21.A N GLU 119.A OE1 no hydrogen 2.982 N/A SER 21.A N GLU 119.A OE2 no hydrogen 3.230 N/A ILE 23.A N TRP 20.A O no hydrogen 2.843 N/A LEU 24.A N SER 21.A O no hydrogen 2.758 N/A LEU 25.A N SER 21.A O no hydrogen 2.727 N/A CYS 28.A SG LEU 24.A O no hydrogen 3.482 N/A ALA 29.A N LEU 25.A O no hydrogen 2.927 N/A TYR 30.A N PRO 27.A O no hydrogen 2.670 N/A LEU 31.A N PRO 27.A O no hydrogen 3.168 N/A ALA 32.A N CYS 28.A O no hydrogen 3.149 N/A GLY 34.A N TYR 30.A O no hydrogen 2.446 N/A GLY 35.A N LEU 31.A O no hydrogen 2.503 N/A TRP 36.A N ALA 32.A O no hydrogen 2.913 N/A LEU 37.A N LEU 33.A O no hydrogen 3.454 N/A THR 38.A N GLY 34.A O no hydrogen 2.990 N/A THR 38.A OG1 GLY 34.A O no hydrogen 3.489 N/A GLY 39.A N GLY 35.A O no hydrogen 2.935 N/A THR 40.A N TRP 36.A O no hydrogen 2.624 N/A THR 40.A OG1 TRP 36.A O no hydrogen 2.382 N/A THR 41.A N LEU 37.A O no hydrogen 3.132 N/A THR 41.A OG1 LEU 37.A O no hydrogen 3.548 N/A PHE 42.A N GLY 39.A O no hydrogen 3.230 N/A VAL 43.A N GLY 39.A O no hydrogen 3.091 N/A THR 44.A OG1 GLU 57.A OE1 no hydrogen 2.687 N/A THR 44.A OG1 GLU 57.A OE2 no hydrogen 2.981 N/A SER 45.A OG SER 53.A OG no hydrogen 2.542 N/A TRP 46.A N THR 44.A OG1 no hydrogen 3.158 N/A THR 48.A N SER 45.A O no hydrogen 2.633 N/A THR 48.A OG1 SER 45.A O no hydrogen 2.525 N/A HIS 49.A N SER 45.A O no hydrogen 2.888 N/A SER 53.A N GLU 57.A OE2 no hydrogen 2.483 N/A SER 53.A OG SER 45.A OG no hydrogen 2.542 N/A SER 54.A N VAL 43.A O no hydrogen 2.918 N/A LEU 56.A N SER 54.A OG no hydrogen 2.861 N/A GLY 58.A N TYR 55.A O no hydrogen 3.158 N/A CYS 59.A SG ALA 52.A O no hydrogen 3.129 N/A CYS 59.A SG THR 63.A O no hydrogen 3.222 N/A CYS 59.A SG THR 63.A OG1 no hydrogen 3.574 N/A ASN 60.A N THR 63.A OG1 no hydrogen 2.543 N/A THR 63.A OG1 ASN 60.A O no hydrogen 3.039 N/A VAL 64.A N PHE 61.A O no hydrogen 3.426 N/A VAL 66.A N PHE 161.A O no hydrogen 3.015 N/A SER 67.A N SER 45.A OG no hydrogen 3.119 N/A THR 68.A N SER 160.A OG no hydrogen 2.880 N/A THR 68.A OG1 PHE 156.A O no hydrogen 2.548 N/A MET 73.A N ALA 70.A O no hydrogen 2.793 N/A GLN 86.A N GLY 82.A O no hydrogen 2.637 N/A ARG 91.A N ASP 88.A OD1 no hydrogen 3.315 N/A TRP 92.A N ASP 88.A O no hydrogen 2.704 N/A TRP 92.A NE1 LEU 78.A O no hydrogen 2.928 N/A CYS 93.A N THR 90.A O no hydrogen 3.209 N/A GLN 94.A N THR 90.A O no hydrogen 3.111 N/A LEU 95.A N ARG 91.A O no hydrogen 2.684 N/A GLY 96.A N CYS 93.A O no hydrogen 3.283 N/A TRP 99.A N GLY 96.A O no hydrogen 2.796 N/A TRP 99.A NE1 PRO 159.A O no hydrogen 3.155 N/A THR 100.A OG1 LEU 77.A O no hydrogen 3.247 N/A THR 100.A OG1 GLY 97.A O no hydrogen 3.106 N/A PHE 101.A N GLY 97.A O no hydrogen 3.464 N/A ILE 102.A N LEU 98.A O no hydrogen 2.529 N/A ALA 103.A N TRP 99.A O no hydrogen 2.867 N/A LEU 104.A N THR 100.A O no hydrogen 2.765 N/A HIS 105.A N PHE 101.A O no hydrogen 2.998 N/A GLY 106.A N ILE 102.A O no hydrogen 2.863 N/A ALA 107.A N ALA 103.A O no hydrogen 2.717 N/A PHE 108.A N LEU 104.A O no hydrogen 2.926 N/A GLY 109.A N HIS 105.A O no hydrogen 2.700 N/A LEU 110.A N GLY 106.A O no hydrogen 2.814 N/A ILE 111.A N ALA 107.A O no hydrogen 3.041 N/A GLY 112.A N PHE 108.A O no hydrogen 2.773 N/A PHE 113.A N GLY 109.A O no hydrogen 2.655 N/A MET 114.A N LEU 110.A O no hydrogen 3.134 N/A MET 114.A N ILE 111.A O no hydrogen 2.742 N/A LEU 115.A N ILE 111.A O no hydrogen 2.983 N/A ARG 116.A N PHE 113.A O no hydrogen 2.838 N/A GLN 117.A N MET 114.A O no hydrogen 3.068 N/A PHE 118.A N MET 114.A O no hydrogen 3.359 N/A GLU 119.A N LEU 115.A O no hydrogen 3.038 N/A ALA 121.A N GLN 117.A O no hydrogen 2.980 N/A ARG 122.A N GLU 119.A O no hydrogen 2.775 N/A ARG 122.A NE ARG 122.A O no hydrogen 2.656 N/A LEU 123.A N GLU 119.A O no hydrogen 3.004 N/A VAL 124.A N ILE 120.A O no hydrogen 2.814 N/A VAL 126.A N ALA 121.A O no hydrogen 2.521 N/A ILE 132.A N PRO 128.A O no hydrogen 2.965 N/A ALA 133.A N TYR 129.A O no hydrogen 3.218 N/A PHE 134.A N ALA 131.A O no hydrogen 2.890 N/A SER 135.A N ILE 132.A O no hydrogen 2.973 N/A SER 135.A OG ILE 132.A O no hydrogen 3.241 N/A ILE 138.A N PHE 134.A O no hydrogen 3.007 N/A ALA 139.A N SER 135.A O no hydrogen 2.928 N/A VAL 140.A N ALA 136.A O no hydrogen 3.228 N/A PHE 141.A N PRO 137.A O no hydrogen 3.021 N/A VAL 142.A N ILE 138.A O no hydrogen 2.869 N/A SER 143.A N ALA 139.A O no hydrogen 2.734 N/A SER 143.A OG ALA 139.A O no hydrogen 3.325 N/A SER 143.A OG ALA 271.A O no hydrogen 2.980 N/A VAL 144.A N VAL 140.A O no hydrogen 3.028 N/A LEU 146.A N VAL 142.A O no hydrogen 3.292 N/A ILE 147.A N VAL 142.A O no hydrogen 3.377 N/A TYR 148.A N SER 143.A O no hydrogen 3.271 N/A TYR 148.A OH HIS 177.A NE2 no hydrogen 3.028 N/A LEU 150.A N LEU 146.A O no hydrogen 2.936 N/A GLY 151.A N ILE 147.A O no hydrogen 2.933 N/A GLN 152.A N PRO 149.A O no hydrogen 2.724 N/A SER 154.A OG GLY 74.A O no hydrogen 3.453 N/A TRP 155.A N GLY 74.A O no hydrogen 2.709 N/A PHE 156.A N SER 154.A OG no hydrogen 2.582 N/A ALA 158.A N TRP 155.A O no hydrogen 2.903 N/A ALA 164.A N LEU 62.A O no hydrogen 3.072 N/A ILE 166.A N VAL 163.A O no hydrogen 2.487 N/A PHE 167.A N VAL 163.A O no hydrogen 2.827 N/A ARG 168.A N ALA 164.A O no hydrogen 2.967 N/A PHE 169.A N ALA 165.A O no hydrogen 3.388 N/A LEU 170.A N ILE 166.A O no hydrogen 2.898 N/A LEU 171.A N PHE 167.A O no hydrogen 3.365 N/A PHE 172.A N ARG 168.A O no hydrogen 2.848 N/A PHE 173.A N PHE 169.A O no hydrogen 3.077 N/A GLN 174.A N LEU 170.A O no hydrogen 3.003 N/A GLN 174.A NE2 ASN 178.A OD1 no hydrogen 3.083 N/A GLY 175.A N LEU 171.A O no hydrogen 2.813 N/A HIS 177.A N PHE 173.A O no hydrogen 3.102 N/A HIS 177.A NE2 TYR 148.A OH no hydrogen 3.028 N/A ASN 178.A N GLY 175.A O no hydrogen 3.077 N/A ASN 178.A ND2 TYR 284.A O no hydrogen 3.586 N/A TRP 179.A N PHE 173.A O no hydrogen 3.264 N/A LEU 181.A N ASN 178.A O no hydrogen 3.206 N/A ASN 182.A N TRP 179.A O no hydrogen 2.782 N/A PHE 184.A N ASN 182.A OD1 no hydrogen 2.603 N/A MET 186.A N ASN 182.A O no hydrogen 3.060 N/A MET 187.A N PHE 184.A O no hydrogen 2.364 N/A GLY 188.A N PHE 184.A O no hydrogen 3.039 N/A VAL 189.A N HIS 185.A O no hydrogen 2.945 N/A GLY 191.A N MET 187.A O no hydrogen 2.652 N/A VAL 192.A N GLY 188.A O no hydrogen 2.840 N/A LEU 193.A N VAL 189.A O no hydrogen 2.927 N/A GLY 194.A N ALA 190.A O no hydrogen 3.054 N/A GLY 195.A N GLY 191.A O no hydrogen 2.820 N/A ALA 196.A N LEU 193.A O no hydrogen 2.589 N/A LEU 197.A N LEU 193.A O no hydrogen 2.752 N/A LEU 198.A N GLY 194.A O no hydrogen 2.474 N/A CYS 199.A N GLY 195.A O no hydrogen 2.913 N/A ALA 200.A N ALA 196.A O no hydrogen 3.053 N/A ALA 200.A N LEU 197.A O no hydrogen 3.037 N/A ILE 201.A N LEU 197.A O no hydrogen 2.448 N/A HIS 202.A N LEU 198.A O no hydrogen 2.831 N/A ALA 204.A N ALA 200.A O no hydrogen 3.020 N/A VAL 206.A N HIS 202.A O no hydrogen 2.807 N/A VAL 206.A N GLY 203.A O no hydrogen 2.975 N/A GLU 207.A N GLY 203.A O no hydrogen 3.225 N/A THR 209.A N VAL 206.A O no hydrogen 2.687 N/A PHE 211.A N THR 231.A O no hydrogen 3.047 N/A ALA 222.A N THR 219.A O no hydrogen 3.150 N/A MET 234.A N GLU 230.A OE2 no hydrogen 3.412 N/A THR 236.A OG1 SER 233.A O no hydrogen 2.808 N/A ALA 237.A N SER 233.A O no hydrogen 3.206 N/A ASN 238.A ND2 PHE 249.A O no hydrogen 3.279 N/A ARG 239.A N VAL 235.A O no hydrogen 3.353 N/A PHE 240.A N ALA 237.A O no hydrogen 2.770 N/A TRP 241.A N ASN 238.A O no hydrogen 2.851 N/A SER 242.A N ASN 238.A O no hydrogen 3.028 N/A SER 242.A OG ASN 238.A O no hydrogen 2.890 N/A SER 242.A OG ASN 238.A OD1 no hydrogen 3.355 N/A ILE 244.A N TRP 241.A O no hydrogen 2.787 N/A TRP 254.A N ASN 251.A O no hydrogen 3.275 N/A TRP 254.A N ASN 251.A OD1 no hydrogen 2.478 N/A LEU 255.A N ASN 251.A O no hydrogen 3.476 N/A PHE 257.A N TRP 254.A O no hydrogen 2.524 N/A PHE 258.A N TRP 254.A O no hydrogen 2.540 N/A VAL 262.A N PHE 258.A O no hydrogen 3.371 N/A VAL 264.A N LEU 260.A O no hydrogen 3.311 N/A THR 265.A N PHE 261.A O no hydrogen 2.608 N/A GLY 266.A N VAL 262.A O no hydrogen 3.039 N/A LEU 267.A N PRO 263.A O no hydrogen 2.732 N/A TRP 268.A N THR 265.A O no hydrogen 2.647 N/A MET 269.A N THR 265.A O no hydrogen 3.220 N/A SER 270.A N GLY 266.A O no hydrogen 3.408 N/A SER 270.A OG LEU 267.A O no hydrogen 2.736 N/A ILE 272.A N TRP 268.A O no hydrogen 3.269 N/A ILE 272.A N MET 269.A O no hydrogen 2.538 N/A VAL 274.A N SER 270.A O no hydrogen 2.875 N/A VAL 275.A N ILE 272.A O no hydrogen 2.399 N/A GLY 276.A N ILE 272.A O no hydrogen 3.198 N/A LEU 277.A N VAL 274.A O no hydrogen 2.998 N/A ALA 278.A N VAL 275.A O no hydrogen 2.781 N/A ASN 280.A N LEU 277.A O no hydrogen 2.837 N/A ARG 282.A N ASN 280.A O no hydrogen 2.544 N/A ARG 282.A NH1 ASN 280.A O no hydrogen 3.403 N/A ARG 282.A NH1 ASN 280.A OD1 no hydrogen 2.470 N/A PHE 286.A N TYR 303.A OH no hydrogen 2.780 N/A GLN 289.A N PHE 286.A O no hydrogen 2.290 N/A ILE 291.A N ILE 287.A O no hydrogen 3.284 N/A ALA 293.A N GLN 289.A O no hydrogen 2.784 N/A ALA 293.A N GLU 290.A O no hydrogen 3.194 N/A ALA 294.A N GLU 290.A O no hydrogen 2.667 N/A ASP 296.A N ALA 293.A O no hydrogen 2.947 N/A PHE 299.A N ASP 296.A O no hydrogen 2.988 N/A THR 301.A OG1 GLN 289.A OE1 no hydrogen 3.213 N/A TYR 303.A OH GLU 290.A OE2 no hydrogen 2.887 N/A THR 304.A OG1 THR 301.A O no hydrogen 3.256 N/A LYS 305.A N THR 301.A O no hydrogen 3.180 N/A ASN 306.A N PHE 302.A O no hydrogen 2.877 N/A LEU 307.A N TYR 303.A O no hydrogen 2.827 N/A LEU 308.A N THR 304.A O no hydrogen 2.784 N/A LEU 308.A N LYS 305.A O no hydrogen 2.791 N/A LEU 309.A N LYS 305.A O no hydrogen 3.132 N/A ASN 310.A N ASN 306.A O no hydrogen 3.322 N/A ASN 310.A N ASN 310.A OD1 no hydrogen 2.486 N/A ASN 310.A ND2 GLY 175.A O no hydrogen 3.261 N/A GLY 312.A N LEU 308.A O no hydrogen 3.207 N/A ILE 313.A N LEU 309.A O no hydrogen 2.765 N/A ARG 314.A N GLU 311.A O no hydrogen 3.140 N/A ARG 314.A NH1 TYR 284.A OH no hydrogen 3.231 N/A ALA 315.A N GLU 311.A O no hydrogen 2.750 N/A TRP 316.A N GLY 312.A O no hydrogen 3.365 N/A TRP 316.A NE1 PRO 335.A O no hydrogen 3.102 N/A GLN 320.A N MET 317.A O no hydrogen 3.063 N/A ASP 321.A N ALA 318.A O no hydrogen 2.942 N/A GLN 322.A N ALA 318.A O no hydrogen 2.425 N/A GLU 325.A N GLN 322.A O no hydrogen 3.105 N/A ARG 336.A NE LEU 340.A O no hydrogen 3.190 N/A ARG 336.A NE LEU 340.A OXT no hydrogen 2.924 N/A ARG 336.A NH2 LEU 340.A O no hydrogen 2.720 N/A