Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a1n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 64.A OD2 no hydrogen 3.201 N/A ILE 2.A N ASN 27.A O no hydrogen 2.682 N/A LEU 3.A N ALA 65.A O no hydrogen 2.915 N/A VAL 4.A N ILE 29.A O no hydrogen 2.786 N/A THR 5.A N PHE 67.A O no hydrogen 2.927 N/A SER 7.A N SER 31.A O no hydrogen 2.833 N/A SER 7.A OG SER 31.A O no hydrogen 2.832 N/A SER 8.A N ASP 32.A OD2 no hydrogen 2.835 N/A SER 8.A OG VAL 34.A O no hydrogen 2.603 N/A GLY 9.A N GLY 6.A O no hydrogen 3.483 N/A THR 13.A N GLY 9.A O no hydrogen 2.747 N/A GLU 14.A N ILE 11.A O no hydrogen 3.186 N/A LEU 15.A N ILE 11.A O no hydrogen 2.697 N/A VAL 16.A N GLY 12.A O no hydrogen 3.103 N/A TYR 18.A N GLU 14.A O no hydrogen 3.329 N/A LEU 19.A N LEU 15.A O no hydrogen 2.809 N/A ALA 20.A N VAL 16.A O no hydrogen 2.845 N/A GLU 21.A N PRO 17.A O no hydrogen 2.936 N/A LYS 22.A N TYR 18.A O no hydrogen 3.161 N/A LYS 22.A N LEU 19.A O no hydrogen 3.100 N/A LYS 22.A NZ GLU 222.A OE1 no hydrogen 3.383 N/A LYS 22.A NZ GLU 222.A OE2 no hydrogen 2.933 N/A TYR 23.A N LEU 19.A O no hydrogen 2.845 N/A TYR 23.A OH GLU 222.A OE2 no hydrogen 2.627 N/A GLY 24.A N ALA 20.A O no hydrogen 2.605 N/A ASN 27.A N GLY 24.A O no hydrogen 2.949 N/A ASN 27.A ND2 TYR 23.A O no hydrogen 2.812 N/A VAL 28.A N LYS 25.A O no hydrogen 3.422 N/A ILE 29.A N ILE 2.A O no hydrogen 2.722 N/A ALA 30.A N LYS 42.A O no hydrogen 2.841 N/A SER 31.A OG VAL 4.A O no hydrogen 2.884 N/A ASP 32.A N ILE 44.A O no hydrogen 3.389 N/A ILE 33.A N ASP 32.A OD1 no hydrogen 2.718 N/A VAL 34.A N ASP 32.A OD1 no hydrogen 3.126 N/A THR 38.A OG1 ARG 36.A O no hydrogen 3.209 N/A ILE 44.A N ALA 30.A O no hydrogen 2.923 N/A LEU 46.A N ASP 32.A O no hydrogen 2.934 N/A ASP 47.A N GLU 53.A OE2 no hydrogen 2.764 N/A SER 49.A N ASP 47.A OD1 no hydrogen 2.936 N/A SER 49.A OG ASP 47.A OD1 no hydrogen 2.671 N/A SER 49.A OG ASP 47.A OD2 no hydrogen 2.830 N/A ASN 50.A N ASP 47.A O no hydrogen 2.932 N/A ARG 51.A NE ASP 55.A OD1 no hydrogen 2.875 N/A GLU 53.A N ASN 50.A OD1 no hydrogen 2.600 N/A ILE 54.A N ASN 50.A O no hydrogen 3.411 N/A ASP 55.A N ARG 51.A O no hydrogen 3.134 N/A ARG 56.A N ASP 52.A O no hydrogen 3.114 N/A ALA 57.A N GLU 53.A O no hydrogen 3.096 N/A VAL 58.A N ILE 54.A O no hydrogen 2.926 N/A GLU 59.A N ASP 55.A O no hydrogen 2.883 N/A LYS 60.A N ARG 56.A O no hydrogen 2.978 N/A TYR 61.A N ALA 57.A O no hydrogen 3.156 N/A SER 62.A N GLU 59.A O no hydrogen 3.245 N/A ILE 63.A N VAL 58.A O no hydrogen 3.176 N/A ASP 64.A N MET 1.A O no hydrogen 2.861 N/A ALA 65.A N MET 1.A O no hydrogen 3.240 N/A ILE 66.A N LYS 106.A O no hydrogen 2.870 N/A PHE 67.A N LEU 3.A O no hydrogen 2.926 N/A HIS 68.A N VAL 108.A O no hydrogen 2.922 N/A LEU 69.A N THR 5.A O no hydrogen 3.043 N/A ILE 72.A N ASN 88.A OD1 no hydrogen 2.734 N/A SER 74.A OG THR 178.A OG1 no hydrogen 2.642 N/A GLY 77.A N LEU 73.A O no hydrogen 2.696 N/A GLU 78.A N SER 74.A O no hydrogen 3.157 N/A GLU 78.A N ALA 75.A O no hydrogen 2.992 N/A LYS 79.A N LYS 76.A O no hydrogen 3.141 N/A ASP 80.A N LYS 76.A O no hydrogen 3.192 N/A LEU 83.A N ASP 80.A OD1 no hydrogen 3.297 N/A ALA 84.A N ASP 80.A O no hydrogen 3.047 N/A TYR 85.A N PRO 81.A O no hydrogen 2.760 N/A LYS 86.A N ALA 82.A O no hydrogen 3.114 N/A VAL 87.A N LEU 83.A O no hydrogen 3.048 N/A ASN 88.A N ALA 84.A O no hydrogen 2.945 N/A ASN 88.A ND2 ILE 72.A O no hydrogen 2.935 N/A ASN 88.A ND2 THR 140.A OG1 no hydrogen 3.199 N/A MET 89.A N TYR 85.A O no hydrogen 3.010 N/A THR 92.A N ASN 88.A O no hydrogen 3.161 N/A THR 92.A OG1 HIS 68.A NE2 no hydrogen 3.319 N/A THR 92.A OG1 ASN 88.A O no hydrogen 2.536 N/A TYR 93.A N MET 89.A O no hydrogen 3.077 N/A ASN 94.A N ASN 90.A O no hydrogen 2.861 N/A ILE 95.A N GLY 91.A O no hydrogen 3.140 N/A LEU 96.A N THR 92.A O no hydrogen 3.030 N/A GLU 97.A N TYR 93.A O no hydrogen 2.919 N/A ALA 98.A N ASN 94.A O no hydrogen 2.916 N/A ALA 99.A N ILE 95.A O no hydrogen 2.787 N/A LYS 100.A N LEU 96.A O no hydrogen 2.903 N/A LYS 100.A NZ GLU 97.A OE1 no hydrogen 3.538 N/A LYS 100.A NZ GLN 101.A OE1 no hydrogen 3.362 N/A GLN 101.A N GLU 97.A O no hydrogen 2.746 N/A HIS 102.A N ALA 98.A O no hydrogen 3.032 N/A HIS 102.A NE2 ASP 55.A OD1 no hydrogen 2.951 N/A GLU 105.A N ASP 64.A O no hydrogen 2.991 N/A LYS 106.A N ASP 64.A O no hydrogen 3.255 N/A LYS 106.A NZ TYR 221.A O no hydrogen 2.918 N/A VAL 107.A N ASP 158.A O no hydrogen 3.105 N/A VAL 108.A N ILE 66.A O no hydrogen 2.626 N/A ILE 109.A N ARG 160.A O no hydrogen 2.871 N/A SER 111.A N LEU 162.A O no hydrogen 2.614 N/A SER 111.A OG GLU 145.A OE2 no hydrogen 2.595 N/A THR 112.A N SER 111.A OG no hydrogen 2.640 N/A ILE 113.A N TYR 164.A O no hydrogen 3.193 N/A GLY 114.A N THR 112.A OG1 no hydrogen 2.873 N/A VAL 115.A N THR 112.A O no hydrogen 3.122 N/A PHE 116.A N ILE 113.A O no hydrogen 3.028 N/A GLY 117.A N THR 120.A OG1 no hydrogen 3.038 N/A GLU 119.A N GLU 119.A OE2 no hydrogen 2.646 N/A THR 120.A N GLY 117.A O no hydrogen 2.804 N/A THR 120.A OG1 GLY 117.A O no hydrogen 3.142 N/A THR 120.A OG1 ILE 130.A O no hydrogen 2.672 N/A LYS 124.A N SER 276.A OG no hydrogen 2.895 N/A VAL 125.A N SER 276.A O no hydrogen 3.198 N/A SER 127.A N GLU 281.A OE1 no hydrogen 3.167 N/A SER 127.A OG GLY 233.A O no hydrogen 3.369 N/A SER 127.A OG GLU 281.A OE1 no hydrogen 3.110 N/A ILE 130.A N THR 129.A OG1 no hydrogen 2.597 N/A ARG 132.A NE GLU 119.A OE1 no hydrogen 3.305 N/A ARG 132.A NH2 GLU 119.A OE1 no hydrogen 2.973 N/A ARG 134.A NH1 GLU 119.A OE1 no hydrogen 3.295 N/A ARG 134.A NH1 GLU 119.A OE2 no hydrogen 3.014 N/A ARG 134.A NH1 ARG 132.A O no hydrogen 2.608 N/A ARG 134.A NH2 GLU 119.A OE1 no hydrogen 2.487 N/A MET 136.A N GLU 78.A OE1 no hydrogen 2.956 N/A GLY 138.A N THR 135.A OG1 no hydrogen 2.961 N/A VAL 139.A N THR 135.A O no hydrogen 2.992 N/A THR 140.A N MET 136.A O no hydrogen 2.973 N/A THR 140.A OG1 MET 136.A O no hydrogen 3.548 N/A THR 140.A OG1 TYR 137.A O no hydrogen 2.804 N/A LYS 141.A N TYR 137.A O no hydrogen 2.994 N/A LYS 141.A NZ PRO 110.A O no hydrogen 3.088 N/A ILE 142.A N GLY 138.A O no hydrogen 3.021 N/A ALA 143.A N VAL 139.A O no hydrogen 2.997 N/A ALA 144.A N THR 140.A O no hydrogen 2.940 N/A GLU 145.A N LYS 141.A O no hydrogen 3.104 N/A LEU 146.A N ILE 142.A O no hydrogen 3.034 N/A LEU 147.A N ALA 143.A O no hydrogen 2.734 N/A GLY 148.A N ALA 144.A O no hydrogen 2.783 N/A GLN 149.A N GLU 145.A O no hydrogen 2.800 N/A GLN 149.A NE2 GLU 153.A OE1 no hydrogen 2.942 N/A TYR 150.A N LEU 146.A O no hydrogen 2.824 N/A TYR 151.A N LEU 147.A O no hydrogen 2.807 N/A TYR 151.A OH GLU 97.A OE2 no hydrogen 2.561 N/A TYR 152.A N GLY 148.A O no hydrogen 3.280 N/A GLU 153.A N GLN 149.A O no hydrogen 3.047 N/A LYS 154.A N TYR 150.A O no hydrogen 2.758 N/A PHE 155.A N TYR 151.A O no hydrogen 3.025 N/A GLY 156.A N TYR 152.A O no hydrogen 2.643 N/A LEU 157.A N TYR 151.A O no hydrogen 3.304 N/A ARG 160.A N VAL 107.A O no hydrogen 3.101 N/A ARG 160.A NE ASP 158.A OD1 no hydrogen 2.908 N/A ARG 160.A NH1 LEU 220.A O no hydrogen 2.840 N/A ARG 160.A NH1 ALA 223.A O no hydrogen 3.039 N/A ARG 160.A NH2 ASP 158.A OD1 no hydrogen 3.569 N/A ARG 160.A NH2 ASP 158.A OD2 no hydrogen 2.718 N/A SER 161.A N ARG 231.A O no hydrogen 3.302 N/A SER 161.A OG ASN 232.A OD1 no hydrogen 2.858 N/A ARG 163.A N TYR 234.A O no hydrogen 2.603 N/A ARG 163.A NE GLU 145.A OE1 no hydrogen 3.202 N/A ARG 163.A NE GLU 145.A OE2 no hydrogen 2.755 N/A ARG 163.A NH1 SER 127.A O no hydrogen 2.744 N/A ARG 163.A NH1 ASN 235.A OD1 no hydrogen 3.286 N/A ARG 163.A NH2 GLU 145.A OE1 no hydrogen 2.681 N/A TYR 164.A N SER 111.A O no hydrogen 3.151 N/A TYR 164.A OH ALA 213.A O no hydrogen 2.668 N/A GLY 166.A N PRO 206.A O no hydrogen 2.999 N/A ILE 168.A N MET 208.A O no hydrogen 2.877 N/A SER 169.A OG GLN 10.A OE1 no hydrogen 3.163 N/A SER 169.A OG ALA 172.A O no hydrogen 3.311 N/A ALA 172.A N GLU 14.A OE2 no hydrogen 3.217 N/A THR 175.A N ASP 180.A OD2 no hydrogen 3.260 N/A GLY 177.A N ASP 180.A OD2 no hydrogen 2.404 N/A THR 178.A OG1 SER 74.A OG no hydrogen 2.642 N/A TYR 181.A N TYR 198.A OH no hydrogen 2.760 N/A ALA 182.A N THR 179.A O no hydrogen 3.329 N/A VAL 183.A N ASP 180.A O no hydrogen 2.930 N/A GLU 184.A N ASP 180.A O no hydrogen 3.019 N/A ILE 185.A N TYR 181.A O no hydrogen 2.953 N/A PHE 186.A N VAL 183.A O no hydrogen 3.048 N/A TYR 187.A N GLU 184.A O no hydrogen 3.055 N/A TYR 188.A N GLU 184.A O no hydrogen 3.404 N/A ALA 189.A N ILE 185.A O no hydrogen 2.888 N/A VAL 190.A N PHE 186.A O no hydrogen 3.018 N/A LYS 191.A N TYR 187.A O no hydrogen 3.275 N/A ARG 192.A N ALA 189.A O no hydrogen 2.853 N/A ARG 192.A NE GLU 256.A OE2 no hydrogen 2.718 N/A ARG 192.A NH1 VAL 190.A O no hydrogen 2.945 N/A GLU 193.A N TYR 188.A O no hydrogen 2.801 N/A LYS 194.A NZ GLU 260.A OE1 no hydrogen 3.194 N/A TYR 195.A N GLU 258.A O no hydrogen 2.928 N/A TYR 195.A OH GLU 184.A OE1 no hydrogen 2.925 N/A CYS 197.A N GLU 260.A O no hydrogen 2.786 N/A CYS 197.A SG LEU 199.A O no hydrogen 3.482 N/A TYR 198.A OH THR 178.A O no hydrogen 2.802 N/A ALA 200.A N ASP 267.A OD1 no hydrogen 2.762 N/A ARG 203.A N ALA 200.A O no hydrogen 3.022 N/A ARG 203.A NE ASP 267.A OD1 no hydrogen 2.652 N/A ARG 203.A NH2 ASP 267.A OD1 no hydrogen 3.375 N/A ARG 203.A NH2 ASP 267.A OD2 no hydrogen 2.638 N/A LEU 205.A N PHE 241.A O no hydrogen 3.093 N/A MET 207.A N TYR 239.A O no hydrogen 2.728 N/A MET 208.A N GLY 166.A O no hydrogen 2.957 N/A TYR 209.A OH ASP 300.A OD1 no hydrogen 2.431 N/A MET 210.A N ILE 168.A O no hydrogen 2.706 N/A ASP 212.A N TYR 209.A O no hydrogen 2.865 N/A ALA 213.A N TYR 209.A O no hydrogen 3.080 N/A LEU 214.A N MET 210.A O no hydrogen 2.838 N/A LYS 215.A N PRO 211.A O no hydrogen 3.158 N/A ALA 216.A N ASP 212.A O no hydrogen 2.986 N/A LEU 217.A N ALA 213.A O no hydrogen 3.167 N/A VAL 218.A N LEU 214.A O no hydrogen 3.060 N/A ASP 219.A N LYS 215.A O no hydrogen 2.756 N/A LEU 220.A N ALA 216.A O no hydrogen 2.964 N/A TYR 221.A N LEU 217.A O no hydrogen 3.063 N/A GLU 222.A N VAL 218.A O no hydrogen 2.943 N/A ALA 223.A N LEU 220.A O no hydrogen 3.259 N/A ARG 225.A NH1 GLU 105.A OE1 no hydrogen 3.311 N/A ARG 225.A NH2 GLU 105.A OE1 no hydrogen 2.743 N/A LYS 227.A N ASP 224.A O no hydrogen 3.305 N/A LEU 228.A N ARG 225.A O no hydrogen 3.252 N/A VAL 229.A N LYS 227.A O no hydrogen 2.947 N/A LEU 230.A N GLU 285.A OE1 no hydrogen 2.911 N/A ARG 231.A N TYR 234.A OH no hydrogen 2.978 N/A ARG 231.A NH1 ASP 158.A OD1 no hydrogen 2.763 N/A ARG 231.A NH1 VAL 159.A O no hydrogen 3.053 N/A ASN 232.A N LEU 230.A O no hydrogen 2.663 N/A ASN 232.A ND2 GLN 149.A OE1 no hydrogen 2.841 N/A ASN 232.A ND2 VAL 159.A O no hydrogen 3.108 N/A GLY 233.A N SER 161.A O no hydrogen 3.142 N/A GLY 233.A N SER 161.A OG no hydrogen 2.995 N/A TYR 234.A N SER 161.A O no hydrogen 3.253 N/A TYR 234.A OH GLU 285.A OE1 no hydrogen 2.441 N/A ASN 235.A N SER 127.A OG no hydrogen 3.000 N/A ASN 235.A ND2 VAL 125.A O no hydrogen 2.686 N/A THR 237.A OG1 MET 207.A O no hydrogen 3.521 N/A ALA 238.A N MET 207.A O no hydrogen 3.062 N/A TYR 239.A N MET 207.A O no hydrogen 3.155 N/A THR 240.A OG1 LEU 205.A O no hydrogen 3.492 N/A THR 240.A OG1 GLU 275.A O no hydrogen 2.580 N/A PHE 241.A N LEU 205.A O no hydrogen 3.120 N/A THR 242.A N GLU 245.A OE1 no hydrogen 3.116 N/A THR 242.A OG1 PRO 201.A O no hydrogen 3.364 N/A THR 242.A OG1 SER 244.A OG no hydrogen 3.142 N/A SER 244.A N PRO 201.A O no hydrogen 3.249 N/A SER 244.A OG PRO 201.A O no hydrogen 3.098 N/A SER 244.A OG THR 242.A OG1 no hydrogen 3.142 N/A GLU 245.A N THR 242.A OG1 no hydrogen 3.111 N/A LEU 246.A N THR 242.A O no hydrogen 3.005 N/A TYR 247.A N PRO 243.A O no hydrogen 2.902 N/A TYR 247.A OH PHE 257.A O no hydrogen 3.366 N/A SER 248.A N SER 244.A O no hydrogen 3.030 N/A LYS 249.A N GLU 245.A O no hydrogen 3.051 N/A ILE 250.A N LEU 246.A O no hydrogen 2.907 N/A LYS 251.A N TYR 247.A O no hydrogen 2.742 N/A LYS 251.A NZ PRO 255.A O no hydrogen 3.391 N/A GLU 252.A N SER 248.A O no hydrogen 3.021 N/A GLU 252.A N LYS 249.A O no hydrogen 3.230 N/A ARG 253.A N ILE 250.A O no hydrogen 2.844 N/A ARG 253.A NE LYS 249.A O no hydrogen 3.038 N/A ARG 253.A NH1 ASP 299.A OD1 no hydrogen 3.103 N/A ARG 253.A NH1 ASP 299.A OD2 no hydrogen 3.146 N/A ARG 253.A NH2 LYS 249.A O no hydrogen 2.702 N/A ILE 254.A N ILE 250.A O no hydrogen 2.899 N/A GLU 260.A N TYR 195.A O no hydrogen 2.975 N/A LYS 262.A N CYS 197.A O no hydrogen 2.852 N/A LYS 262.A NZ GLU 260.A OE2 no hydrogen 3.001 N/A GLU 263.A N GLU 263.A OE1 no hydrogen 2.742 N/A ASP 264.A N TYR 198.A O no hydrogen 3.241 N/A ARG 266.A N ASP 264.A OD1 no hydrogen 2.772 N/A ARG 266.A NE ASP 264.A OD1 no hydrogen 3.407 N/A ARG 266.A NE ASP 264.A OD2 no hydrogen 3.251 N/A ARG 266.A NH1 GLY 177.A O no hydrogen 3.193 N/A ARG 266.A NH2 ASP 264.A OD2 no hydrogen 2.866 N/A ASP 267.A N ASP 264.A O no hydrogen 3.058 N/A LYS 268.A NZ ASP 264.A O no hydrogen 3.141 N/A ILE 269.A N PHE 265.A O no hydrogen 3.209 N/A ALA 270.A N ARG 266.A O no hydrogen 2.992 N/A ALA 271.A N ASP 267.A O no hydrogen 2.951 N/A THR 272.A N ILE 269.A O no hydrogen 2.924 N/A THR 272.A OG1 ILE 269.A O no hydrogen 2.729 N/A TRP 273.A N ALA 270.A O no hydrogen 3.001 N/A GLU 275.A N LYS 122.A O no hydrogen 2.725 N/A SER 276.A N LYS 122.A O no hydrogen 3.164 N/A ASP 278.A N VAL 125.A O no hydrogen 2.867 N/A SER 280.A N ASP 278.A OD1 no hydrogen 3.074 N/A SER 280.A OG ASP 278.A OD1 no hydrogen 2.677 N/A SER 283.A N SER 279.A O no hydrogen 3.284 N/A SER 283.A OG PHE 288.A O no hydrogen 2.642 N/A ASN 284.A N SER 280.A O no hydrogen 2.835 N/A GLU 285.A N GLU 281.A O no hydrogen 2.812 N/A TRP 286.A N ALA 282.A O no hydrogen 2.974 N/A GLY 287.A N SER 283.A O no hydrogen 3.025 N/A PHE 288.A N ALA 282.A O no hydrogen 3.301 N/A GLU 291.A N ASP 212.A OD1 no hydrogen 2.709 N/A GLU 291.A N ASP 212.A OD2 no hydrogen 3.347 N/A TYR 292.A N ASP 212.A OD2 no hydrogen 2.916 N/A ARG 296.A N ASP 293.A OD1 no hydrogen 3.049 N/A ARG 296.A NH1 ASP 293.A OD1 no hydrogen 3.288 N/A THR 297.A N ASP 293.A O no hydrogen 3.093 N/A ILE 298.A N LEU 294.A O no hydrogen 2.953 N/A ASP 299.A N ASP 295.A O no hydrogen 2.964 N/A ASP 300.A N ARG 296.A O no hydrogen 2.979 N/A MET 301.A N THR 297.A O no hydrogen 2.860 N/A ILE 302.A N ILE 298.A O no hydrogen 2.943 N/A ASP 303.A N ASP 299.A O no hydrogen 3.115 N/A HIS 304.A N ASP 300.A O no hydrogen 2.942 N/A ILE 305.A N MET 301.A O no hydrogen 2.716 N/A SER 306.A N ILE 302.A O no hydrogen 2.830 N/A SER 306.A OG ILE 302.A O no hydrogen 2.708 N/A GLU 307.A N ASP 303.A O no hydrogen 3.268 N/A LYS 308.A N HIS 304.A O no hydrogen 2.894 N/A LYS 308.A NZ TYR 170.A O no hydrogen 2.823 N/A LYS 308.A NZ LYS 171.A O no hydrogen 3.254 N/A LYS 308.A NZ GLU 173.A OE1 no hydrogen 3.130 N/A LYS 308.A NZ TYR 187.A OH no hydrogen 3.025 N/A LEU 309.A N ILE 305.A O no hydrogen 2.945 N/A GLY 310.A N GLU 307.A O no hydrogen 3.198 N/A ILE 311.A N SER 306.A O no hydrogen 2.821 N/A