Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a0h_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 7.A N PHE 3.A O no hydrogen 2.852 N/A ASP 8.A N ASP 4.A O no hydrogen 2.447 N/A TRP 9.A N ILE 5.A O no hydrogen 2.983 N/A LEU 10.A N LEU 6.A O no hydrogen 3.118 N/A LYS 11.A N ASP 7.A O no hydrogen 2.836 N/A ARG 12.A N TRP 9.A O no hydrogen 3.064 N/A ARG 14.A NE ARG 12.A O no hydrogen 2.602 N/A TRP 20.A N GLU 119.A OE1 no hydrogen 2.860 N/A SER 21.A N GLU 119.A OE2 no hydrogen 2.915 N/A SER 21.A OG GLU 119.A OE2 no hydrogen 2.913 N/A GLY 22.A N SER 21.A OG no hydrogen 2.715 N/A ILE 23.A N GLY 19.A O no hydrogen 3.266 N/A LEU 24.A N SER 21.A O no hydrogen 2.605 N/A LEU 25.A N SER 21.A O no hydrogen 3.357 N/A PHE 26.A N GLY 22.A O no hydrogen 2.825 N/A CYS 28.A N LEU 24.A O no hydrogen 3.306 N/A CYS 28.A SG LEU 24.A O no hydrogen 2.898 N/A ALA 29.A N LEU 25.A O no hydrogen 2.717 N/A TYR 30.A N PHE 26.A O no hydrogen 2.892 N/A LEU 31.A N PRO 27.A O no hydrogen 3.074 N/A ALA 32.A N CYS 28.A O no hydrogen 2.895 N/A LEU 33.A N ALA 29.A O no hydrogen 3.151 N/A GLY 34.A N TYR 30.A O no hydrogen 2.890 N/A GLY 35.A N LEU 31.A O no hydrogen 2.289 N/A TRP 36.A N ALA 32.A O no hydrogen 2.996 N/A LEU 37.A N LEU 33.A O no hydrogen 2.994 N/A THR 38.A N GLY 34.A O no hydrogen 2.742 N/A THR 38.A OG1 GLY 34.A O no hydrogen 2.974 N/A THR 38.A OG1 GLY 35.A O no hydrogen 3.303 N/A THR 40.A N TRP 36.A O no hydrogen 3.258 N/A THR 40.A OG1 LEU 37.A O no hydrogen 2.702 N/A THR 41.A N LEU 37.A O no hydrogen 3.148 N/A THR 41.A OG1 LEU 37.A O no hydrogen 2.551 N/A THR 41.A OG1 THR 38.A O no hydrogen 3.097 N/A PHE 42.A N THR 38.A O no hydrogen 2.741 N/A VAL 43.A N THR 38.A O no hydrogen 3.413 N/A THR 44.A OG1 GLU 57.A OE1 no hydrogen 2.758 N/A THR 44.A OG1 GLU 57.A OE2 no hydrogen 2.660 N/A SER 45.A OG LEU 51.A O no hydrogen 2.648 N/A TRP 46.A N THR 44.A OG1 no hydrogen 3.196 N/A THR 48.A N SER 45.A O no hydrogen 3.454 N/A THR 48.A OG1 SER 45.A O no hydrogen 3.058 N/A THR 48.A OG1 HIS 49.A ND1 no hydrogen 2.823 N/A THR 48.A OG1 THR 68.A O no hydrogen 3.310 N/A HIS 49.A N SER 45.A O no hydrogen 3.289 N/A HIS 49.A ND1 THR 48.A OG1 no hydrogen 2.823 N/A GLY 50.A N TRP 46.A O no hydrogen 2.589 N/A SER 53.A N GLU 57.A OE2 no hydrogen 2.809 N/A SER 53.A OG VAL 43.A O no hydrogen 3.487 N/A SER 54.A OG THR 40.A O no hydrogen 3.209 N/A TYR 55.A N THR 40.A O no hydrogen 2.627 N/A LEU 56.A N THR 41.A O no hydrogen 3.114 N/A LEU 56.A N SER 54.A OG no hydrogen 3.182 N/A GLU 57.A N SER 54.A O no hydrogen 2.616 N/A GLY 58.A N SER 54.A O no hydrogen 2.987 N/A GLY 58.A N TYR 55.A O no hydrogen 2.472 N/A CYS 59.A N SER 54.A O no hydrogen 3.109 N/A CYS 59.A SG ALA 52.A O no hydrogen 2.723 N/A CYS 59.A SG SER 54.A O no hydrogen 3.609 N/A THR 63.A N ASN 60.A O no hydrogen 3.129 N/A VAL 64.A N ASN 60.A O no hydrogen 2.819 N/A VAL 66.A N PHE 161.A O no hydrogen 3.088 N/A THR 68.A OG1 PHE 156.A O no hydrogen 2.595 N/A ASN 71.A ND2 HIS 324.A NE2 no hydrogen 2.793 N/A MET 73.A N ALA 70.A O no hydrogen 2.965 N/A LEU 78.A N SER 76.A OG no hydrogen 2.755 N/A LEU 79.A N GLU 84.A OE2 no hydrogen 3.154 N/A GLY 82.A N LEU 79.A O no hydrogen 2.905 N/A GLN 86.A N GLY 82.A O no hydrogen 2.671 N/A THR 90.A OG1 ASP 88.A OD1 no hydrogen 2.921 N/A TRP 92.A N ASP 88.A O no hydrogen 2.774 N/A LEU 95.A N ARG 91.A O no hydrogen 2.512 N/A THR 100.A OG1 LEU 77.A O no hydrogen 2.918 N/A THR 100.A OG1 LEU 78.A O no hydrogen 3.519 N/A THR 100.A OG1 GLY 97.A O no hydrogen 2.775 N/A PHE 101.A N GLY 97.A O no hydrogen 3.270 N/A ILE 102.A N LEU 98.A O no hydrogen 2.573 N/A ALA 103.A N TRP 99.A O no hydrogen 2.648 N/A LEU 104.A N THR 100.A O no hydrogen 2.626 N/A HIS 105.A N PHE 101.A O no hydrogen 2.718 N/A GLY 106.A N ILE 102.A O no hydrogen 2.802 N/A ALA 107.A N ALA 103.A O no hydrogen 2.610 N/A PHE 108.A N LEU 104.A O no hydrogen 3.296 N/A PHE 108.A N HIS 105.A O no hydrogen 2.980 N/A GLY 109.A N HIS 105.A O no hydrogen 3.147 N/A LEU 110.A N GLY 106.A O no hydrogen 3.260 N/A ILE 111.A N ALA 107.A O no hydrogen 3.468 N/A GLY 112.A N PHE 108.A O no hydrogen 2.504 N/A PHE 113.A N GLY 109.A O no hydrogen 2.594 N/A MET 114.A N LEU 110.A O no hydrogen 2.764 N/A LEU 115.A N ILE 111.A O no hydrogen 3.106 N/A ARG 116.A N GLY 112.A O no hydrogen 3.016 N/A GLN 117.A N PHE 113.A O no hydrogen 2.991 N/A PHE 118.A N MET 114.A O no hydrogen 3.038 N/A PHE 118.A N LEU 115.A O no hydrogen 2.447 N/A GLU 119.A N LEU 115.A O no hydrogen 2.775 N/A ILE 120.A N ARG 116.A O no hydrogen 2.908 N/A ALA 121.A N GLN 117.A O no hydrogen 3.279 N/A ARG 122.A N PHE 118.A O no hydrogen 2.674 N/A ARG 122.A NE ARG 122.A O no hydrogen 2.828 N/A LEU 123.A N GLU 119.A O no hydrogen 3.064 N/A VAL 124.A N ALA 121.A O no hydrogen 3.314 N/A VAL 126.A N ALA 121.A O no hydrogen 3.285 N/A ALA 131.A N PRO 128.A O no hydrogen 2.388 N/A ALA 133.A N TYR 129.A O no hydrogen 2.966 N/A PHE 134.A N ASN 130.A O no hydrogen 3.088 N/A SER 135.A N ILE 132.A O no hydrogen 2.586 N/A ALA 136.A N ALA 133.A O no hydrogen 2.852 N/A ALA 139.A N SER 135.A O no hydrogen 2.889 N/A PHE 141.A N PRO 137.A O no hydrogen 2.558 N/A VAL 142.A N ILE 138.A O no hydrogen 2.581 N/A SER 143.A N ALA 139.A O no hydrogen 2.953 N/A SER 143.A OG ALA 139.A O no hydrogen 2.772 N/A SER 143.A OG VAL 140.A O no hydrogen 2.705 N/A VAL 144.A N VAL 140.A O no hydrogen 2.695 N/A PHE 145.A N PHE 141.A O no hydrogen 3.089 N/A PHE 145.A N VAL 142.A O no hydrogen 3.411 N/A LEU 146.A N VAL 142.A O no hydrogen 2.775 N/A ILE 147.A N VAL 142.A O no hydrogen 2.874 N/A TYR 148.A N SER 143.A O no hydrogen 2.581 N/A TYR 148.A OH HIS 177.A NE2 no hydrogen 3.298 N/A LEU 150.A N LEU 146.A O no hydrogen 2.729 N/A GLY 151.A N ILE 147.A O no hydrogen 2.803 N/A GLY 151.A N TYR 148.A O no hydrogen 2.875 N/A GLN 152.A N TYR 148.A O no hydrogen 2.992 N/A GLN 152.A N PRO 149.A O no hydrogen 2.866 N/A GLN 152.A NE2 LEU 277.A O no hydrogen 2.854 N/A SER 153.A OG ASN 71.A OD1 no hydrogen 3.092 N/A SER 154.A OG PRO 69.A O no hydrogen 3.454 N/A SER 154.A OG ALA 70.A O no hydrogen 3.402 N/A SER 154.A OG GLY 74.A O no hydrogen 3.250 N/A TRP 155.A N GLY 74.A O no hydrogen 2.607 N/A TRP 155.A NE1 HIS 75.A O no hydrogen 2.451 N/A PHE 156.A N SER 154.A OG no hydrogen 2.897 N/A ALA 158.A N TRP 155.A O no hydrogen 3.003 N/A PHE 167.A N ALA 164.A O no hydrogen 2.520 N/A ARG 168.A N ALA 164.A O no hydrogen 2.952 N/A LEU 170.A N PHE 167.A O no hydrogen 2.776 N/A PHE 172.A N ARG 168.A O no hydrogen 3.033 N/A PHE 173.A N LEU 170.A O no hydrogen 2.287 N/A GLN 174.A N LEU 170.A O no hydrogen 3.367 N/A GLY 175.A N LEU 171.A O no hydrogen 2.471 N/A PHE 176.A N PHE 172.A O no hydrogen 2.884 N/A HIS 177.A N PHE 173.A O no hydrogen 2.479 N/A HIS 177.A NE2 TYR 148.A OH no hydrogen 3.298 N/A ASN 178.A N PHE 173.A O no hydrogen 2.502 N/A THR 180.A OG1 GLN 174.A OE1 no hydrogen 2.933 N/A THR 180.A OG1 ASN 178.A OD1 no hydrogen 3.240 N/A LEU 181.A N ASN 178.A O no hydrogen 3.332 N/A HIS 185.A N ASN 182.A OD1 no hydrogen 3.254 N/A MET 186.A N ASN 182.A O no hydrogen 3.100 N/A MET 187.A N PRO 183.A O no hydrogen 3.255 N/A GLY 188.A N PHE 184.A O no hydrogen 3.165 N/A VAL 189.A N HIS 185.A O no hydrogen 3.078 N/A VAL 189.A N MET 186.A O no hydrogen 2.699 N/A ALA 190.A N MET 186.A O no hydrogen 2.662 N/A GLY 191.A N MET 187.A O no hydrogen 2.734 N/A VAL 192.A N GLY 188.A O no hydrogen 3.480 N/A LEU 193.A N VAL 189.A O no hydrogen 2.974 N/A GLY 194.A N ALA 190.A O no hydrogen 2.990 N/A GLY 195.A N GLY 191.A O no hydrogen 2.558 N/A ALA 196.A N VAL 192.A O no hydrogen 2.788 N/A LEU 197.A N LEU 193.A O no hydrogen 3.351 N/A LEU 198.A N GLY 194.A O no hydrogen 3.213 N/A CYS 199.A N GLY 195.A O no hydrogen 2.633 N/A ALA 200.A N ALA 196.A O no hydrogen 2.689 N/A ILE 201.A N LEU 197.A O no hydrogen 2.741 N/A HIS 202.A N LEU 198.A O no hydrogen 3.147 N/A GLY 203.A N CYS 199.A O no hydrogen 3.052 N/A ALA 204.A N ALA 200.A O no hydrogen 3.324 N/A THR 205.A N ILE 201.A O no hydrogen 2.473 N/A VAL 206.A N HIS 202.A O no hydrogen 2.945 N/A GLU 207.A N GLY 203.A O no hydrogen 3.302 N/A ASN 208.A N ALA 204.A O no hydrogen 3.109 N/A THR 209.A N THR 205.A O no hydrogen 3.451 N/A THR 209.A OG1 THR 205.A O no hydrogen 3.473 N/A PHE 211.A N THR 231.A O no hydrogen 2.935 N/A ARG 221.A N SER 218.A O no hydrogen 2.954 N/A GLN 227.A NE2 THR 226.A O no hydrogen 3.060 N/A SER 233.A OG THR 236.A OG1 no hydrogen 3.115 N/A MET 234.A N GLU 230.A OE2 no hydrogen 2.923 N/A THR 236.A N SER 233.A OG no hydrogen 3.378 N/A ALA 237.A N MET 234.A O no hydrogen 3.343 N/A PHE 240.A N ALA 237.A O no hydrogen 2.406 N/A TRP 241.A NE1 THR 205.A OG1 no hydrogen 3.025 N/A SER 242.A N ASN 238.A O no hydrogen 2.708 N/A SER 242.A OG ASN 238.A O no hydrogen 2.782 N/A GLN 243.A N PHE 240.A O no hydrogen 2.994 N/A ILE 244.A N PHE 240.A O no hydrogen 2.867 N/A PHE 245.A N TRP 241.A O no hydrogen 2.572 N/A GLY 246.A N TRP 241.A O no hydrogen 2.794 N/A SER 250.A N ALA 248.A O no hydrogen 2.675 N/A SER 250.A OG ALA 248.A O no hydrogen 3.498 N/A LYS 252.A NZ GLU 230.A OE1 no hydrogen 3.527 N/A TRP 254.A N ASN 251.A OD1 no hydrogen 2.466 N/A HIS 256.A N LYS 252.A O no hydrogen 2.891 N/A PHE 257.A N TRP 254.A O no hydrogen 2.731 N/A PHE 258.A N TRP 254.A O no hydrogen 2.445 N/A MET 259.A N LEU 255.A O no hydrogen 3.278 N/A LEU 260.A N PHE 257.A O no hydrogen 2.379 N/A PHE 261.A N PHE 257.A O no hydrogen 3.180 N/A VAL 262.A N PHE 258.A O no hydrogen 3.174 N/A THR 265.A N PHE 261.A O no hydrogen 3.033 N/A GLY 266.A N VAL 262.A O no hydrogen 3.337 N/A LEU 267.A N PRO 263.A O no hydrogen 3.234 N/A TRP 268.A N VAL 264.A O no hydrogen 3.228 N/A TRP 268.A NE1 SER 135.A OG no hydrogen 2.442 N/A MET 269.A N THR 265.A O no hydrogen 3.077 N/A SER 270.A N LEU 267.A O no hydrogen 2.661 N/A SER 270.A OG GLY 266.A O no hydrogen 2.510 N/A SER 270.A OG LEU 267.A O no hydrogen 2.584 N/A ALA 271.A N LEU 267.A O no hydrogen 2.756 N/A ILE 272.A N TRP 268.A O no hydrogen 2.690 N/A GLY 273.A N MET 269.A O no hydrogen 3.273 N/A VAL 274.A N SER 270.A O no hydrogen 2.863 N/A VAL 275.A N ALA 271.A O no hydrogen 3.106 N/A GLY 276.A N ILE 272.A O no hydrogen 3.104 N/A LEU 277.A N GLY 273.A O no hydrogen 3.327 N/A ALA 278.A N VAL 274.A O no hydrogen 2.918 N/A ALA 278.A N VAL 275.A O no hydrogen 2.790 N/A LEU 279.A N GLY 276.A O no hydrogen 2.811 N/A ASN 280.A N LEU 277.A O no hydrogen 3.075 N/A LEU 281.A N GLY 276.A O no hydrogen 3.136 N/A ARG 282.A NH1 HIS 177.A ND1 no hydrogen 3.229 N/A SER 283.A OG LEU 181.A O no hydrogen 3.532 N/A PHE 286.A N ASP 285.A OD1 no hydrogen 2.268 N/A ILE 287.A N ASP 285.A OD1 no hydrogen 3.442 N/A GLN 289.A N PHE 286.A O no hydrogen 3.058 N/A GLN 289.A NE2 THR 301.A OG1 no hydrogen 3.416 N/A GLU 290.A N PHE 286.A O no hydrogen 3.480 N/A ILE 291.A N ILE 287.A O no hydrogen 3.019 N/A ARG 292.A N GLN 289.A O no hydrogen 2.711 N/A ALA 293.A N GLU 290.A O no hydrogen 2.975 N/A ALA 294.A N GLU 290.A O no hydrogen 3.277 N/A PHE 299.A N ASP 296.A O no hydrogen 2.826 N/A TYR 303.A OH ASP 285.A O no hydrogen 2.568 N/A THR 304.A N THR 301.A OG1 no hydrogen 3.342 N/A LYS 305.A N THR 301.A O no hydrogen 3.058 N/A ASN 306.A N PHE 302.A O no hydrogen 2.445 N/A LEU 307.A N TYR 303.A O no hydrogen 2.705 N/A LEU 308.A N THR 304.A O no hydrogen 2.816 N/A LEU 309.A N ASN 306.A O no hydrogen 2.562 N/A ASN 310.A N ASN 306.A O no hydrogen 3.399 N/A GLU 311.A N LEU 307.A O no hydrogen 3.244 N/A GLY 312.A N LEU 308.A O no hydrogen 3.226 N/A GLY 312.A N LEU 309.A O no hydrogen 2.669 N/A ILE 313.A N LEU 309.A O no hydrogen 3.049 N/A ARG 314.A N ASN 310.A O no hydrogen 3.027 N/A TRP 316.A N GLY 312.A O no hydrogen 3.111 N/A MET 317.A N ILE 313.A O no hydrogen 3.424 N/A ALA 318.A N ARG 314.A O no hydrogen 3.233 N/A GLN 320.A N MET 317.A O no hydrogen 2.721 N/A ASP 321.A N MET 317.A O no hydrogen 2.804 N/A GLN 322.A N ALA 318.A O no hydrogen 2.820 N/A GLU 325.A N GLN 322.A O no hydrogen 3.361 N/A ASN 326.A N PRO 323.A O no hydrogen 2.953 N/A ARG 336.A NE LEU 340.A O no hydrogen 3.155 N/A ARG 336.A NH2 LEU 340.A O no hydrogen 2.735 N/A