Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2it1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 28.A OD1 no hydrogen 3.209 N/A MET 1.A N ASP 28.A OD2 no hydrogen 2.907 N/A GLU 3.A N ASP 63.A OD1 no hydrogen 2.953 N/A ILE 4.A N ILE 26.A O no hydrogen 2.886 N/A LYS 5.A N TYR 61.A O no hydrogen 3.009 N/A LYS 5.A NZ GLU 3.A OE1 no hydrogen 3.279 N/A LYS 5.A NZ ASP 63.A O no hydrogen 3.533 N/A LEU 6.A N LEU 24.A O no hydrogen 2.764 N/A GLU 7.A N LYS 59.A O no hydrogen 2.975 N/A ASN 8.A N ASN 23.A OD1 no hydrogen 2.962 N/A ILE 9.A N ILE 22.A O no hydrogen 3.014 N/A VAL 10.A N SER 57.A O no hydrogen 2.917 N/A LYS 11.A N LEU 19.A O no hydrogen 2.812 N/A LYS 12.A N THR 56.A OG1 no hydrogen 2.740 N/A ASN 15.A N ASN 15.A OD1 no hydrogen 2.482 N/A ALA 18.A N LYS 11.A O no hydrogen 2.773 N/A LEU 19.A N LYS 11.A O no hydrogen 3.134 N/A ASN 20.A N GLY 210.A O no hydrogen 2.636 N/A ASN 21.A ND2 ASN 8.A OD1 no hydrogen 2.599 N/A ILE 22.A N ILE 9.A O no hydrogen 2.812 N/A ASN 23.A ND2 ASN 8.A OD1 no hydrogen 3.224 N/A LEU 24.A N LEU 6.A O no hydrogen 3.109 N/A ILE 26.A N ILE 4.A O no hydrogen 2.657 N/A LYS 27.A N GLU 30.A OE1 no hydrogen 3.101 N/A GLY 29.A N THR 186.A OG1 no hydrogen 2.943 N/A GLU 30.A N LYS 27.A O no hydrogen 2.902 N/A PHE 31.A N ASP 202.A OD2 no hydrogen 2.902 N/A MET 32.A N THR 187.A O no hydrogen 2.906 N/A ALA 33.A N ARG 203.A O no hydrogen 3.003 N/A LEU 34.A N TYR 189.A O no hydrogen 2.721 N/A LEU 35.A N ALA 205.A O no hydrogen 2.943 N/A GLY 36.A N THR 191.A O no hydrogen 3.311 N/A SER 40.A N PRO 37.A O no hydrogen 3.166 N/A SER 40.A OG PRO 37.A O no hydrogen 2.811 N/A LYS 42.A NZ GLY 36.A O no hydrogen 3.384 N/A LYS 42.A NZ PRO 37.A O no hydrogen 2.683 N/A SER 43.A OG ASP 158.A OD1 no hydrogen 2.584 N/A SER 43.A OG ASP 158.A OD2 no hydrogen 3.388 N/A LEU 45.A N GLY 41.A O no hydrogen 2.854 N/A LEU 46.A N LYS 42.A O no hydrogen 3.281 N/A TYR 47.A N SER 43.A O no hydrogen 2.868 N/A THR 48.A N THR 44.A O no hydrogen 2.891 N/A THR 48.A OG1 THR 44.A O no hydrogen 2.656 N/A ILE 49.A N LEU 45.A O no hydrogen 2.962 N/A ALA 50.A N LEU 46.A O no hydrogen 2.893 N/A GLY 51.A N TYR 47.A O no hydrogen 2.999 N/A TYR 53.A N TYR 47.A O no hydrogen 3.251 N/A THR 56.A N VAL 10.A O no hydrogen 2.839 N/A THR 56.A OG1 LYS 12.A O no hydrogen 3.313 N/A SER 57.A N VAL 10.A O no hydrogen 3.449 N/A LYS 59.A N GLU 7.A O no hydrogen 3.086 N/A LYS 59.A NZ TYR 61.A OH no hydrogen 3.491 N/A ILE 60.A N THR 68.A OG1 no hydrogen 2.693 N/A TYR 61.A N LYS 5.A O no hydrogen 2.928 N/A PHE 62.A N LYS 65.A O no hydrogen 2.898 N/A ASP 63.A N GLU 3.A O no hydrogen 2.658 N/A LYS 65.A N PHE 62.A O no hydrogen 3.012 N/A VAL 67.A N ILE 60.A O no hydrogen 2.953 N/A THR 68.A N ASP 66.A OD1 no hydrogen 2.855 N/A THR 68.A OG1 ILE 60.A O no hydrogen 3.483 N/A THR 68.A OG1 ASP 66.A OD1 no hydrogen 2.563 N/A LEU 70.A N VAL 67.A O no hydrogen 3.099 N/A ASP 74.A N PRO 71.A O no hydrogen 3.057 N/A ARG 75.A N PRO 72.A O no hydrogen 3.189 N/A ARG 75.A NE LEU 70.A O no hydrogen 3.036 N/A ARG 75.A NH1 THR 48.A O no hydrogen 3.161 N/A ARG 75.A NH1 ILE 49.A O no hydrogen 2.860 N/A ARG 75.A NH2 LEU 70.A O no hydrogen 3.210 N/A ASN 76.A ND2 GLU 151.A O no hydrogen 3.354 N/A GLY 78.A N VAL 154.A O no hydrogen 2.867 N/A VAL 80.A N LEU 156.A O no hydrogen 2.985 N/A GLN 82.A NE2 SER 162.A OG no hydrogen 3.256 N/A TRP 84.A NE1 PRO 160.A O no hydrogen 2.950 N/A TYR 87.A N ASN 95.A OD1 no hydrogen 2.915 N/A MET 90.A N TYR 87.A O no hydrogen 3.183 N/A VAL 92.A N ARG 129.A O no hydrogen 2.741 N/A TYR 93.A N LEU 127.A O no hydrogen 2.999 N/A TYR 93.A OH ASP 111.A OD1 no hydrogen 2.313 N/A LYS 94.A N THR 91.A OG1 no hydrogen 3.109 N/A LYS 94.A NZ GLU 101.A OE1 no hydrogen 2.560 N/A LYS 94.A NZ GLU 101.A OE2 no hydrogen 3.521 N/A ASN 95.A N THR 91.A O no hydrogen 2.948 N/A ASN 95.A ND2 TYR 87.A O no hydrogen 3.129 N/A ASN 95.A ND2 THR 91.A O no hydrogen 2.962 N/A ILE 96.A N VAL 92.A O no hydrogen 3.112 N/A ALA 97.A N TYR 93.A O no hydrogen 2.848 N/A PHE 98.A N LYS 94.A O no hydrogen 2.758 N/A GLU 101.A N ALA 97.A O no hydrogen 2.858 N/A LEU 102.A N PHE 98.A O no hydrogen 2.845 N/A ARG 103.A N PRO 99.A O no hydrogen 3.354 N/A LYS 104.A N GLU 101.A O no hydrogen 3.044 N/A ALA 105.A N LEU 100.A O no hydrogen 3.031 N/A ARG 107.A NH1 GLU 101.A OE2 no hydrogen 3.239 N/A ARG 107.A NH2 TYR 93.A OH no hydrogen 2.977 N/A ARG 107.A NH2 GLU 101.A OE2 no hydrogen 2.646 N/A ILE 110.A N PRO 106.A O no hydrogen 3.100 N/A ASP 111.A N ARG 107.A O no hydrogen 2.853 N/A LYS 112.A N GLU 108.A O no hydrogen 3.159 N/A LYS 113.A N GLU 109.A O no hydrogen 2.886 N/A LYS 113.A NZ VAL 149.A O no hydrogen 3.074 N/A LYS 113.A NZ GLU 151.A OE1 no hydrogen 3.537 N/A VAL 114.A N ILE 110.A O no hydrogen 3.010 N/A ARG 115.A N ASP 111.A O no hydrogen 3.062 N/A GLU 116.A N LYS 112.A O no hydrogen 3.080 N/A VAL 117.A N LYS 113.A O no hydrogen 2.984 N/A ALA 118.A N VAL 114.A O no hydrogen 2.914 N/A LYS 119.A N ARG 115.A O no hydrogen 3.444 N/A MET 120.A N GLU 116.A O no hydrogen 3.257 N/A LEU 121.A N VAL 117.A O no hydrogen 2.996 N/A HIS 122.A N LYS 119.A O no hydrogen 3.132 N/A ILE 123.A N ALA 118.A O no hydrogen 2.801 N/A LEU 126.A N ILE 123.A O no hydrogen 2.731 N/A ARG 129.A N LEU 126.A O no hydrogen 2.857 N/A TYR 130.A N GLN 133.A OE1 no hydrogen 2.851 N/A GLN 133.A N TYR 130.A O no hydrogen 2.811 N/A LEU 134.A N PRO 131.A O no hydrogen 2.904 N/A SER 135.A N GLN 138.A OE1 no hydrogen 2.842 N/A SER 135.A OG GLN 138.A OE1 no hydrogen 3.356 N/A GLN 138.A N SER 135.A OG no hydrogen 2.922 N/A GLN 139.A N SER 135.A O no hydrogen 2.682 N/A GLN 140.A N GLY 136.A O no hydrogen 2.940 N/A GLN 140.A NE2 GLN 140.A O no hydrogen 3.188 N/A ARG 141.A N GLY 137.A O no hydrogen 3.240 N/A ARG 141.A NE LEU 121.A O no hydrogen 2.961 N/A ARG 141.A NH2 HIS 122.A O no hydrogen 3.239 N/A VAL 142.A N GLN 138.A O no hydrogen 3.155 N/A ALA 143.A N GLN 139.A O no hydrogen 2.989 N/A ILE 144.A N GLN 140.A O no hydrogen 3.042 N/A ALA 145.A N ARG 141.A O no hydrogen 2.941 N/A ARG 146.A N VAL 142.A O no hydrogen 2.824 N/A ARG 146.A NH1 ALA 85.A O no hydrogen 3.066 N/A ALA 147.A N ALA 143.A O no hydrogen 3.210 N/A LEU 148.A N ALA 145.A O no hydrogen 3.072 N/A GLU 151.A N LEU 148.A O no hydrogen 2.773 N/A GLU 153.A N ASN 76.A O no hydrogen 2.808 N/A LEU 155.A N THR 186.A O no hydrogen 2.830 N/A LEU 156.A N GLY 78.A O no hydrogen 2.704 N/A LEU 157.A N VAL 188.A O no hydrogen 2.889 N/A ASP 158.A N VAL 80.A O no hydrogen 3.095 N/A GLU 159.A N VAL 190.A O no hydrogen 2.844 N/A SER 162.A N GLU 159.A O no hydrogen 3.390 N/A ASN 163.A ND2 TRP 84.A O no hydrogen 3.029 N/A LEU 164.A N LEU 161.A O no hydrogen 2.935 N/A LEU 167.A N ASP 165.A OD1 no hydrogen 2.871 N/A LEU 168.A N ASP 165.A OD1 no hydrogen 2.920 N/A ARG 169.A N ASP 165.A O no hydrogen 3.046 N/A ARG 169.A NE LEU 161.A O no hydrogen 3.222 N/A ARG 169.A NH2 GLU 159.A OE1 no hydrogen 3.033 N/A LEU 170.A N LEU 167.A O no hydrogen 3.015 N/A VAL 172.A N LEU 168.A O no hydrogen 3.008 N/A ARG 173.A N ARG 169.A O no hydrogen 3.020 N/A ALA 174.A N GLU 171.A O no hydrogen 3.125 N/A GLU 175.A N GLU 171.A O no hydrogen 3.255 N/A LEU 176.A N VAL 172.A O no hydrogen 2.916 N/A LYS 177.A N ARG 173.A O no hydrogen 3.257 N/A LYS 177.A NZ MET 200.A O no hydrogen 2.599 N/A ARG 178.A N ALA 174.A O no hydrogen 3.234 N/A LEU 179.A N GLU 175.A O no hydrogen 3.141 N/A GLN 180.A N LEU 176.A O no hydrogen 3.063 N/A GLN 180.A NE2 GLY 29.A O no hydrogen 2.825 N/A GLN 180.A NE2 ILE 185.A O no hydrogen 2.773 N/A LYS 181.A N LYS 177.A O no hydrogen 3.097 N/A GLU 182.A N ARG 178.A O no hydrogen 3.063 N/A LEU 183.A N LEU 179.A O no hydrogen 3.061 N/A GLY 184.A N LYS 181.A O no hydrogen 3.060 N/A THR 186.A OG1 VAL 2.A O no hydrogen 2.552 N/A THR 187.A N GLU 30.A O no hydrogen 2.895 N/A THR 187.A OG1 ILE 185.A O no hydrogen 2.909 N/A VAL 188.A N LEU 155.A O no hydrogen 2.833 N/A TYR 189.A N MET 32.A O no hydrogen 2.837 N/A TYR 189.A OH GLU 196.A OE1 no hydrogen 2.762 N/A VAL 190.A N LEU 157.A O no hydrogen 2.827 N/A THR 191.A N LEU 34.A O no hydrogen 2.998 N/A THR 191.A OG1 GLU 159.A OE1 no hydrogen 2.973 N/A HIS 192.A N GLU 159.A OE2 no hydrogen 3.042 N/A ASP 193.A N THR 191.A OG1 no hydrogen 2.767 N/A GLU 196.A N ASP 193.A OD1 no hydrogen 3.119 N/A ALA 197.A N ASP 193.A O no hydrogen 3.005 N/A LEU 198.A N GLN 194.A O no hydrogen 2.983 N/A ALA 199.A N ALA 195.A O no hydrogen 3.034 N/A MET 200.A N GLU 196.A O no hydrogen 3.016 N/A ALA 201.A N ALA 197.A O no hydrogen 2.968 N/A ASP 202.A N PHE 31.A O no hydrogen 2.939 N/A ARG 203.A N PHE 31.A O no hydrogen 3.468 N/A ARG 203.A NE GLU 30.A OE1 no hydrogen 3.390 N/A ARG 203.A NE GLU 30.A OE2 no hydrogen 2.943 N/A ARG 203.A NH2 LYS 25.A O no hydrogen 2.725 N/A ARG 203.A NH2 GLU 30.A OE1 no hydrogen 3.037 N/A ILE 204.A N GLY 216.A O no hydrogen 2.707 N/A ALA 205.A N ALA 33.A O no hydrogen 2.863 N/A VAL 206.A N GLN 214.A O no hydrogen 2.900 N/A ILE 207.A N LEU 35.A O no hydrogen 2.695 N/A ARG 208.A N GLU 211.A O no hydrogen 2.834 N/A GLY 210.A N SER 40.A O no hydrogen 2.749 N/A GLU 211.A N ARG 208.A O no hydrogen 2.997 N/A LEU 213.A N VAL 206.A O no hydrogen 2.927 N/A GLN 214.A NE2 GLU 220.A O no hydrogen 3.657 N/A GLN 214.A NE2 LYS 224.A O no hydrogen 3.087 N/A GLY 216.A N ILE 204.A O no hydrogen 3.073 N/A THR 217.A N GLU 220.A OE1 no hydrogen 2.930 N/A THR 217.A OG1 GLU 220.A OE1 no hydrogen 3.365 N/A GLU 220.A N THR 217.A OG1 no hydrogen 3.263 N/A VAL 221.A N THR 217.A O no hydrogen 3.063 N/A TYR 222.A N PRO 218.A O no hydrogen 2.992 N/A TYR 222.A OH HIS 284.A NE2 no hydrogen 2.591 N/A TYR 223.A N ASP 219.A O no hydrogen 2.828 N/A LYS 224.A N GLU 220.A O no hydrogen 2.850 N/A LYS 226.A N GLN 214.A OE1 no hydrogen 3.009 N/A LYS 226.A NZ LEU 213.A O no hydrogen 2.871 N/A LYS 228.A N GLU 354.A O no hydrogen 2.936 N/A GLY 231.A N TYR 227.A O no hydrogen 3.356 N/A GLY 232.A N LYS 228.A O no hydrogen 2.863 N/A PHE 233.A N VAL 230.A O no hydrogen 3.346 N/A GLY 235.A N GLN 194.A OE1 no hydrogen 2.867 N/A MET 239.A N GLY 231.A O no hydrogen 3.365 N/A ASN 240.A N PHE 281.A O no hydrogen 2.784 N/A ASN 240.A ND2 PHE 281.A O no hydrogen 3.136 N/A ASN 240.A ND2 LYS 322.A O no hydrogen 2.811 N/A VAL 242.A N ILE 279.A O no hydrogen 2.989 N/A ALA 244.A N VAL 277.A O no hydrogen 2.889 N/A LYS 245.A N VAL 252.A O no hydrogen 2.901 N/A VAL 246.A N THR 275.A O no hydrogen 2.673 N/A GLU 247.A N LYS 250.A O no hydrogen 2.982 N/A LYS 250.A N GLU 247.A O no hydrogen 3.012 N/A LEU 251.A N LEU 259.A O no hydrogen 2.717 N/A VAL 252.A N LYS 245.A O no hydrogen 2.787 N/A ILE 253.A N SER 257.A O no hydrogen 2.771 N/A THR 254.A N SER 257.A O no hydrogen 2.888 N/A SER 257.A N THR 254.A O no hydrogen 3.092 N/A SER 257.A OG VAL 297.A O no hydrogen 3.292 N/A LEU 259.A N LEU 251.A O no hydrogen 2.856 N/A GLN 264.A N GLN 264.A OE1 no hydrogen 2.668 N/A TYR 265.A N PRO 262.A O no hydrogen 2.714 N/A VAL 266.A N LYS 263.A O no hydrogen 3.330 N/A VAL 269.A N TYR 265.A O no hydrogen 2.797 N/A LYS 270.A N VAL 266.A O no hydrogen 3.020 N/A GLU 271.A N GLU 267.A O no hydrogen 2.895 N/A THR 272.A N ILE 268.A O no hydrogen 2.924 N/A THR 272.A OG1 ILE 268.A O no hydrogen 2.734 N/A THR 272.A OG1 VAL 269.A O no hydrogen 3.168 N/A ILE 274.A N THR 272.A OG1 no hydrogen 3.395 N/A VAL 277.A N ALA 244.A O no hydrogen 3.001 N/A ILE 278.A N PHE 349.A O no hydrogen 2.873 N/A ILE 279.A N VAL 242.A O no hydrogen 2.832 N/A GLY 280.A N VAL 347.A O no hydrogen 2.717 N/A PHE 281.A N ASN 240.A O no hydrogen 3.108 N/A ARG 282.A NH1 LEU 234.A O no hydrogen 2.900 N/A ARG 282.A NH2 TYR 222.A O no hydrogen 3.067 N/A HIS 284.A ND1 ASP 285.A OD1 no hydrogen 2.864 N/A HIS 284.A NE2 TYR 222.A OH no hydrogen 2.591 N/A ASP 285.A N ARG 282.A O no hydrogen 2.967 N/A GLU 287.A N LYS 340.A O no hydrogen 2.860 N/A VAL 289.A N THR 338.A O no hydrogen 2.958 N/A LYS 290.A NZ HIS 330.A O no hydrogen 3.180 N/A GLY 291.A N LYS 336.A O no hydrogen 2.830 N/A GLY 293.A N THR 338.A OG1 no hydrogen 2.710 N/A ILE 296.A N ILE 339.A O no hydrogen 3.222 N/A VAL 297.A N SER 257.A OG no hydrogen 2.892 N/A GLY 298.A N VAL 337.A O no hydrogen 2.941 N/A GLU 299.A N SER 315.A O no hydrogen 3.098 N/A VAL 300.A N GLU 335.A O no hydrogen 2.665 N/A TYR 301.A N THR 313.A O no hydrogen 2.810 N/A SER 302.A N THR 313.A O no hydrogen 3.282 N/A GLU 304.A N ILE 311.A O no hydrogen 3.002 N/A LEU 306.A N GLU 309.A O no hydrogen 2.972 N/A GLU 309.A N LEU 306.A O no hydrogen 3.115 N/A GLN 310.A N ALA 325.A O no hydrogen 3.015 N/A GLN 310.A NE2 PRO 326.A O no hydrogen 2.785 N/A GLN 310.A NE2 GLU 329.A O no hydrogen 2.650 N/A ILE 311.A N GLU 304.A O no hydrogen 2.746 N/A VAL 312.A N VAL 323.A O no hydrogen 2.894 N/A THR 313.A N SER 302.A O no hydrogen 2.809 N/A VAL 314.A N VAL 321.A O no hydrogen 2.659 N/A SER 315.A N GLU 299.A O no hydrogen 2.999 N/A SER 315.A OG GLU 299.A O no hydrogen 3.348 N/A VAL 316.A N SER 319.A O no hydrogen 2.729 N/A SER 319.A N VAL 316.A O no hydrogen 2.773 N/A SER 319.A OG VAL 316.A O no hydrogen 2.597 N/A VAL 321.A N VAL 314.A O no hydrogen 2.834 N/A LYS 322.A N ASN 240.A OD1 no hydrogen 2.936 N/A VAL 323.A N VAL 312.A O no hydrogen 2.981 N/A PHE 324.A N PRO 283.A O no hydrogen 3.293 N/A ALA 325.A N GLN 310.A O no hydrogen 2.959 N/A GLU 329.A N PRO 326.A O no hydrogen 3.368 N/A SER 332.A N GLU 335.A OE1 no hydrogen 3.036 N/A SER 332.A OG GLU 335.A OE1 no hydrogen 3.089 N/A GLY 334.A N VAL 300.A O no hydrogen 2.579 N/A GLU 335.A N SER 332.A O no hydrogen 3.125 N/A VAL 337.A N GLY 298.A O no hydrogen 2.983 N/A THR 338.A N VAL 289.A O no hydrogen 2.749 N/A THR 338.A OG1 GLY 291.A O no hydrogen 2.737 N/A ILE 339.A N ILE 296.A O no hydrogen 2.680 N/A LYS 340.A N GLU 287.A O no hydrogen 2.748 N/A LYS 340.A NZ GLU 287.A OE1 no hydrogen 3.309 N/A LEU 345.A N LYS 342.A O no hydrogen 2.898 N/A LEU 346.A N GLU 343.A O no hydrogen 3.109 N/A VAL 347.A N GLY 280.A O no hydrogen 2.953 N/A PHE 349.A N ILE 278.A O no hydrogen 2.939 N/A ASP 350.A N LYS 355.A O no hydrogen 2.924 N/A LYS 351.A N GLU 276.A O no hydrogen 3.051 N/A THR 353.A N ASP 350.A OD2 no hydrogen 2.760 N/A THR 353.A OG1 ASP 350.A OD2 no hydrogen 2.626 N/A GLU 354.A N ASP 350.A O no hydrogen 2.614 N/A LYS 355.A NZ ALA 356.A O no hydrogen 2.761 N/A ALA 356.A N LYS 226.A O no hydrogen 2.801 N/A LEU 357.A N LEU 348.A O no hydrogen 2.759 N/A