Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1v1a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N LYS 49.A O no hydrogen 2.852 N/A VAL 4.A N LYS 49.A O no hydrogen 3.064 N/A VAL 5.A N PHE 128.A O no hydrogen 3.017 N/A THR 6.A N GLY 51.A O no hydrogen 2.520 N/A THR 6.A OG1 GLU 36.A O no hydrogen 3.368 N/A THR 6.A OG1 GLY 51.A O no hydrogen 3.315 N/A VAL 12.A N GLY 87.A O no hydrogen 3.223 N/A ALA 13.A N TYR 31.A O no hydrogen 2.804 N/A LEU 14.A N TYR 89.A O no hydrogen 2.897 N/A VAL 15.A N GLU 29.A O no hydrogen 2.793 N/A GLY 20.A N TYR 93.A O no hydrogen 3.077 N/A LEU 22.A N GLU 92.A OE2 no hydrogen 3.169 N/A GLY 24.A N HIS 21.A O no hydrogen 3.186 N/A LYS 25.A N LEU 22.A O no hydrogen 2.712 N/A LYS 25.A NZ GLU 18.A O no hydrogen 3.170 N/A LYS 25.A NZ GLU 18.A OE2 no hydrogen 3.241 N/A LYS 25.A NZ PRO 19.A O no hydrogen 2.889 N/A ARG 26.A NE GLY 24.A O no hydrogen 3.168 N/A ARG 26.A NE LYS 25.A O no hydrogen 3.120 N/A GLU 29.A N VAL 15.A O no hydrogen 2.654 N/A TYR 31.A N ALA 13.A O no hydrogen 2.867 N/A TYR 31.A OH GLU 29.A OE2 no hydrogen 3.019 N/A GLY 33.A N LEU 11.A O no hydrogen 2.720 N/A ASN 38.A N GLY 34.A O no hydrogen 2.711 N/A ASN 38.A ND2 ASP 251.A OD2 no hydrogen 2.834 N/A VAL 39.A N ALA 35.A O no hydrogen 3.012 N/A ALA 40.A N GLU 36.A O no hydrogen 2.882 N/A VAL 41.A N VAL 37.A O no hydrogen 2.872 N/A ALA 42.A N ASN 38.A O no hydrogen 3.109 N/A LEU 43.A N VAL 39.A O no hydrogen 3.063 N/A ALA 44.A N ALA 40.A O no hydrogen 2.918 N/A ARG 45.A N VAL 41.A O no hydrogen 2.733 N/A ARG 45.A NE GLU 72.A OE2 no hydrogen 3.252 N/A ARG 45.A NH1 GLU 289.A O no hydrogen 3.180 N/A ARG 45.A NH1 ALA 291.A O no hydrogen 3.004 N/A ARG 45.A NH2 GLU 72.A OE1 no hydrogen 3.183 N/A LEU 46.A N ALA 42.A O no hydrogen 3.080 N/A LEU 46.A N LEU 43.A O no hydrogen 2.874 N/A GLY 47.A N ALA 44.A O no hydrogen 3.444 N/A VAL 48.A N LEU 43.A O no hydrogen 3.207 N/A LYS 49.A N GLU 3.A OE1 no hydrogen 2.779 N/A GLY 51.A N VAL 4.A O no hydrogen 2.900 N/A PHE 52.A N ASP 75.A O no hydrogen 3.109 N/A VAL 53.A N THR 6.A O no hydrogen 2.866 N/A ARG 55.A NH2 HIS 78.A O no hydrogen 3.516 N/A ARG 55.A NH2 ALA 117.A O no hydrogen 3.102 N/A GLU 58.A N GLY 84.A O no hydrogen 2.932 N/A GLY 62.A N ASP 59.A OD2 no hydrogen 2.892 N/A ALA 63.A N ASP 59.A O no hydrogen 3.160 N/A MET 64.A N GLU 60.A O no hydrogen 3.083 N/A VAL 65.A N LEU 61.A O no hydrogen 2.810 N/A GLU 66.A N GLY 62.A O no hydrogen 2.844 N/A GLU 67.A N ALA 63.A O no hydrogen 2.734 N/A ARG 68.A N MET 64.A O no hydrogen 3.075 N/A ARG 68.A NH1 GLU 72.A OE1 no hydrogen 2.737 N/A LEU 69.A N VAL 65.A O no hydrogen 2.976 N/A ARG 70.A N GLU 66.A O no hydrogen 2.975 N/A ALA 71.A N GLU 67.A O no hydrogen 2.940 N/A GLU 72.A N ARG 68.A O no hydrogen 2.964 N/A GLY 73.A N LEU 69.A O no hydrogen 2.973 N/A VAL 74.A N LEU 69.A O no hydrogen 3.208 N/A ASP 75.A N VAL 50.A O no hydrogen 3.101 N/A THR 77.A OG1 ASP 75.A OD1 no hydrogen 2.798 N/A THR 77.A OG1 ASP 75.A OD2 no hydrogen 2.820 N/A PHE 79.A N LEU 76.A O no hydrogen 2.621 N/A ARG 80.A N GLY 54.A O no hydrogen 3.160 N/A ARG 80.A NH1 THR 77.A O no hydrogen 3.491 N/A ALA 82.A N VAL 56.A O no hydrogen 2.878 N/A THR 86.A N ASP 59.A OD1 no hydrogen 2.967 N/A THR 86.A OG1 ASP 59.A OD1 no hydrogen 3.503 N/A THR 86.A OG1 ASP 59.A OD2 no hydrogen 2.652 N/A LEU 88.A N TYR 104.A O no hydrogen 2.856 N/A TYR 89.A N VAL 12.A O no hydrogen 2.821 N/A TYR 89.A OH ASP 287.A OD2 no hydrogen 2.693 N/A LEU 90.A N PHE 102.A O no hydrogen 2.927 N/A ARG 91.A NH1 ASP 287.A OD1 no hydrogen 2.605 N/A ARG 91.A NH2 GLY 286.A O no hydrogen 3.197 N/A GLU 92.A N ARG 100.A O no hydrogen 2.806 N/A TYR 93.A OH PRO 16.A O no hydrogen 2.704 N/A GLY 97.A N LEU 94.A O no hydrogen 2.736 N/A GLY 99.A N GLN 98.A OE1 no hydrogen 3.367 N/A PHE 102.A N LEU 90.A O no hydrogen 3.252 N/A TYR 104.A N LEU 88.A O no hydrogen 2.883 N/A ARG 105.A NE GLU 9.A OE1 no hydrogen 2.579 N/A ARG 105.A NH2 GLU 9.A OE1 no hydrogen 2.433 N/A SER 108.A N ARG 105.A O no hydrogen 2.938 N/A SER 108.A OG GLU 9.A OE2 no hydrogen 2.638 N/A SER 108.A OG ARG 105.A O no hydrogen 2.723 N/A ALA 109.A N PHE 85.A O no hydrogen 2.796 N/A SER 111.A N SER 108.A OG no hydrogen 3.378 N/A ASP 121.A N ASP 119.A OD1 no hydrogen 3.051 N/A TYR 122.A N ASP 119.A O no hydrogen 2.890 N/A TYR 122.A OH ASP 75.A OD2 no hydrogen 2.513 N/A LEU 123.A N PRO 120.A O no hydrogen 2.738 N/A GLU 124.A N ASP 121.A O no hydrogen 3.169 N/A VAL 126.A N LEU 123.A O no hydrogen 3.009 N/A ARG 127.A NH2 ALA 261.A O no hydrogen 3.544 N/A PHE 128.A N GLU 3.A O no hydrogen 2.982 N/A LEU 129.A N ARG 159.A O no hydrogen 2.649 N/A HIS 130.A N VAL 5.A O no hydrogen 2.813 N/A LEU 131.A N SER 161.A O no hydrogen 2.783 N/A SER 132.A OG ASP 163.A O no hydrogen 3.371 N/A GLY 133.A N ASP 163.A O no hydrogen 2.699 N/A ILE 134.A N SER 132.A OG no hydrogen 3.390 N/A THR 135.A N SER 132.A O no hydrogen 2.999 N/A THR 135.A OG1 SER 132.A O no hydrogen 3.289 N/A ALA 137.A N ILE 134.A O no hydrogen 3.047 N/A LEU 138.A N THR 135.A O no hydrogen 3.132 N/A SER 139.A OG SER 111.A O no hydrogen 3.107 N/A SER 139.A OG GLU 141.A OE2 no hydrogen 3.160 N/A ALA 142.A N SER 139.A OG no hydrogen 3.134 N/A ARG 143.A N SER 139.A O no hydrogen 2.624 N/A ARG 143.A NE PRO 136.A O no hydrogen 3.280 N/A ALA 144.A N PRO 140.A O no hydrogen 3.091 N/A PHE 145.A N GLU 141.A O no hydrogen 3.318 N/A SER 146.A N ALA 142.A O no hydrogen 3.039 N/A SER 146.A OG ALA 142.A O no hydrogen 2.922 N/A LEU 147.A N ARG 143.A O no hydrogen 3.401 N/A TRP 148.A N ALA 144.A O no hydrogen 2.814 N/A ALA 149.A N PHE 145.A O no hydrogen 2.586 N/A MET 150.A N SER 146.A O no hydrogen 3.169 N/A GLU 151.A N LEU 147.A O no hydrogen 3.137 N/A GLU 152.A N TRP 148.A O no hydrogen 2.918 N/A GLU 152.A N ALA 149.A O no hydrogen 3.183 N/A ALA 153.A N ALA 149.A O no hydrogen 3.093 N/A LYS 154.A N MET 150.A O no hydrogen 2.716 N/A ARG 155.A N GLU 151.A O no hydrogen 3.059 N/A ARG 155.A NE GLU 152.A OE1 no hydrogen 3.456 N/A ARG 155.A NE GLU 152.A OE2 no hydrogen 3.344 N/A ARG 155.A NH1 GLU 152.A OE2 no hydrogen 2.863 N/A ARG 156.A N ALA 153.A O no hydrogen 2.746 N/A ARG 156.A NE GLU 152.A O no hydrogen 3.385 N/A ARG 156.A NH2 GLU 152.A O no hydrogen 3.080 N/A ARG 156.A NH2 GLU 152.A OE1 no hydrogen 3.285 N/A GLY 157.A N LYS 154.A O no hydrogen 2.974 N/A VAL 158.A N ALA 153.A O no hydrogen 2.732 N/A ARG 159.A N ARG 127.A O no hydrogen 3.102 N/A ARG 159.A NH2 GLU 215.A OE2 no hydrogen 3.371 N/A VAL 160.A N ASP 188.A OD1 no hydrogen 3.236 N/A SER 161.A N LEU 129.A O no hydrogen 2.827 N/A SER 161.A OG HIS 130.A ND1 no hydrogen 3.330 N/A LEU 162.A N LEU 189.A O no hydrogen 3.148 N/A ASP 163.A N LEU 131.A O no hydrogen 3.263 N/A VAL 164.A N PHE 191.A O no hydrogen 3.346 N/A ASN 165.A N ASP 163.A OD2 no hydrogen 2.989 N/A ASN 165.A ND2 SER 132.A OG no hydrogen 3.230 N/A ASN 165.A ND2 ASP 251.A OD1 no hydrogen 3.417 N/A TYR 166.A OH TRP 171.A O no hydrogen 2.641 N/A ARG 167.A NH1 ASN 165.A OD1 no hydrogen 3.192 N/A ARG 167.A NH1 TYR 166.A O no hydrogen 3.388 N/A ARG 167.A NH2 ASN 165.A OD1 no hydrogen 2.924 N/A LEU 170.A N ARG 167.A O no hydrogen 2.971 N/A TRP 171.A N ARG 167.A O no hydrogen 3.365 N/A SER 172.A N GLU 175.A OE2 no hydrogen 2.745 N/A SER 172.A OG GLU 174.A OE1 no hydrogen 2.776 N/A GLU 175.A N SER 172.A OG no hydrogen 2.941 N/A ALA 176.A N SER 172.A O no hydrogen 2.780 N/A ARG 177.A N PRO 173.A O no hydrogen 2.497 N/A ARG 177.A NE LEU 200.A O no hydrogen 2.759 N/A GLY 178.A N GLU 174.A O no hydrogen 2.707 N/A PHE 179.A N GLU 175.A O no hydrogen 3.455 N/A LEU 180.A N ALA 176.A O no hydrogen 2.906 N/A GLU 181.A N ARG 177.A O no hydrogen 2.881 N/A ARG 182.A N GLY 178.A O no hydrogen 3.358 N/A ARG 182.A NH1 ARG 182.A O no hydrogen 3.311 N/A ALA 183.A N PHE 179.A O no hydrogen 2.919 N/A LEU 184.A N LEU 180.A O no hydrogen 2.822 N/A GLY 186.A N ALA 183.A O no hydrogen 2.728 N/A VAL 187.A N LEU 184.A O no hydrogen 2.930 N/A ASP 188.A N VAL 160.A O no hydrogen 3.133 N/A LEU 190.A N GLU 215.A O no hydrogen 2.856 N/A PHE 191.A N LEU 162.A O no hydrogen 3.068 N/A LEU 192.A N VAL 217.A O no hydrogen 2.878 N/A GLU 194.A N LYS 219.A O no hydrogen 3.072 N/A ALA 197.A N SER 193.A O no hydrogen 3.320 N/A GLU 198.A N GLU 194.A O no hydrogen 2.927 N/A LEU 199.A N GLU 195.A O no hydrogen 2.624 N/A PHE 201.A N ALA 197.A O no hydrogen 2.501 N/A ARG 203.A N PHE 201.A O no hydrogen 2.556 N/A ALA 207.A N ARG 203.A O no hydrogen 3.246 N/A LEU 208.A N VAL 204.A O no hydrogen 3.019 N/A ARG 209.A N GLU 205.A O no hydrogen 3.172 N/A ALA 210.A N GLU 206.A O no hydrogen 3.070 N/A LEU 211.A N ALA 207.A O no hydrogen 2.887 N/A SER 212.A OG LEU 208.A O no hydrogen 3.207 N/A SER 212.A OG ARG 209.A O no hydrogen 2.952 N/A ALA 213.A N LEU 211.A O no hydrogen 2.918 N/A GLU 215.A N ASP 188.A O no hydrogen 2.872 N/A VAL 216.A N PHE 228.A O no hydrogen 3.489 N/A VAL 217.A N LEU 190.A O no hydrogen 2.594 N/A LEU 218.A N TRP 226.A O no hydrogen 2.875 N/A LYS 219.A N LEU 192.A O no hydrogen 2.565 N/A LYS 219.A NZ ASP 163.A OD1 no hydrogen 3.554 N/A ARG 220.A N GLY 224.A O no hydrogen 3.200 N/A LYS 223.A N ARG 220.A O no hydrogen 2.978 N/A LYS 223.A NZ GLU 194.A OE1 no hydrogen 3.433 N/A LYS 223.A NZ GLU 194.A OE2 no hydrogen 3.170 N/A GLY 224.A N GLY 221.A O no hydrogen 3.226 N/A TRP 226.A N LEU 218.A O no hydrogen 3.164 N/A TRP 226.A NE1 GLU 235.A OE2 no hydrogen 2.635 N/A ALA 227.A N VAL 234.A O no hydrogen 2.622 N/A PHE 228.A N VAL 216.A O no hydrogen 2.846 N/A ARG 232.A N VAL 229.A O no hydrogen 3.053 N/A ARG 232.A NH2 GLU 268.A OE1 no hydrogen 2.754 N/A VAL 234.A N ALA 227.A O no hydrogen 2.903 N/A GLY 236.A N ALA 225.A O no hydrogen 2.752 N/A ASP 245.A N ALA 282.A O no hydrogen 3.045 N/A ALA 249.A N PRO 246.A O no hydrogen 2.851 N/A ALA 252.A N GLY 248.A O no hydrogen 3.311 N/A PHE 253.A N ALA 249.A O no hydrogen 3.098 N/A ALA 254.A N GLY 250.A O no hydrogen 2.814 N/A ALA 255.A N ASP 251.A O no hydrogen 2.980 N/A GLY 256.A N ALA 252.A O no hydrogen 3.064 N/A TYR 257.A N PHE 253.A O no hydrogen 2.998 N/A TYR 257.A OH GLU 215.A OE1 no hydrogen 2.860 N/A LEU 258.A N ALA 254.A O no hydrogen 2.857 N/A ALA 259.A N ALA 255.A O no hydrogen 2.898 N/A GLY 260.A N GLY 256.A O no hydrogen 3.071 N/A ALA 261.A N TYR 257.A O no hydrogen 2.889 N/A VAL 262.A N LEU 258.A O no hydrogen 2.661 N/A TRP 263.A N ALA 259.A O no hydrogen 2.720 N/A GLY 264.A N ALA 261.A O no hydrogen 2.402 N/A LEU 265.A N GLY 260.A O no hydrogen 3.132 N/A GLU 268.A N GLU 268.A OE2 no hydrogen 2.570 N/A GLU 269.A N PRO 266.A O no hydrogen 3.106 N/A ARG 270.A N PRO 266.A O no hydrogen 3.139 N/A ARG 270.A NE LEU 265.A O no hydrogen 2.942 N/A ARG 270.A NH1 TYR 257.A OH no hydrogen 3.477 N/A ARG 270.A NH2 LEU 265.A O no hydrogen 2.949 N/A LEU 271.A N VAL 267.A O no hydrogen 3.104 N/A LEU 273.A N GLU 269.A O no hydrogen 2.797 N/A ALA 274.A N ARG 270.A O no hydrogen 2.667 N/A ASN 275.A N LEU 271.A O no hydrogen 2.839 N/A LEU 276.A N ARG 272.A O no hydrogen 2.763 N/A LEU 277.A N LEU 273.A O no hydrogen 3.023 N/A GLY 278.A N ALA 274.A O no hydrogen 3.165 N/A ALA 279.A N ASN 275.A O no hydrogen 3.164 N/A SER 280.A N LEU 276.A O no hydrogen 3.031 N/A SER 280.A OG GLY 290.A O no hydrogen 2.708 N/A VAL 281.A N LEU 277.A O no hydrogen 3.083 N/A ALA 282.A N GLY 278.A O no hydrogen 2.912 N/A ALA 283.A N ALA 279.A O no hydrogen 2.887 N/A SER 284.A N VAL 281.A O no hydrogen 2.614 N/A SER 284.A OG SER 280.A O no hydrogen 2.761 N/A ARG 285.A NH1 GLU 29.A OE1 no hydrogen 3.084 N/A HIS 288.A ND1 ASN 38.A OD1 no hydrogen 2.884 N/A ALA 291.A N HIS 288.A O no hydrogen 3.178 N/A TYR 293.A N ASP 296.A OD1 no hydrogen 3.156 N/A ARG 294.A N ARG 45.A O no hydrogen 2.976 N/A ASP 296.A N TYR 293.A O no hydrogen 2.875 N/A LEU 297.A N TYR 293.A O no hydrogen 3.383 N/A LEU 297.A N ARG 294.A O no hydrogen 2.928 N/A VAL 299.A N ASP 296.A O no hydrogen 3.006 N/A LEU 300.A N ASP 296.A O no hydrogen 3.086 N/A LYS 302.A N VAL 299.A O no hydrogen 3.210 N/A