Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3it1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N LYS 285.A O no hydrogen 2.877 N/A ILE 4.A N LEU 283.A O no hydrogen 2.797 N/A PHE 5.A N LEU 283.A O no hydrogen 3.432 N/A VAL 6.A N LYS 247.A O no hydrogen 3.032 N/A SER 7.A N MET 281.A O no hydrogen 2.886 N/A SER 7.A OG THR 249.A OG1 no hydrogen 2.840 N/A MET 8.A N THR 249.A O no hydrogen 2.853 N/A ILE 9.A N LEU 279.A O no hydrogen 2.871 N/A THR 10.A N TYR 251.A O no hydrogen 3.179 N/A THR 10.A OG1 TYR 250.A OH no hydrogen 2.832 N/A ARG 11.A N SER 277.A O no hydrogen 2.803 N/A HIS 12.A N GLY 253.A O no hydrogen 2.984 N/A HIS 12.A ND1 GLY 13.A O no hydrogen 2.816 N/A GLY 13.A N SER 83.A OG no hydrogen 3.110 N/A ASP 14.A N GLN 42.A OE1 no hydrogen 2.849 N/A ARG 15.A NH1 ASP 179.A OD1 no hydrogen 2.786 N/A ARG 15.A NH1 ASP 179.A OD2 no hydrogen 3.331 N/A ARG 15.A NH2 ALA 16.A O no hydrogen 3.081 N/A ARG 15.A NH2 ASP 179.A OD2 no hydrogen 2.847 N/A ALA 16.A N GLU 34.A O no hydrogen 2.983 N/A GLU 22.A N ASN 166.A OD1 no hydrogen 2.717 N/A ASN 23.A N LEU 164.A O no hydrogen 2.914 N/A ASN 23.A ND2 ILE 163.A O no hydrogen 2.903 N/A ALA 24.A N ILE 21.A O no hydrogen 3.151 N/A TYR 26.A OH PRO 190.A O no hydrogen 2.704 N/A SER 33.A N PRO 17.A O no hydrogen 2.802 N/A SER 33.A OG LEU 32.A O no hydrogen 2.551 N/A GLU 34.A N GLU 31.A O no hydrogen 3.072 N/A THR 36.A N ASP 14.A O no hydrogen 2.957 N/A THR 36.A OG1 ASP 14.A O no hydrogen 3.173 N/A THR 36.A OG1 ASP 14.A OD1 no hydrogen 2.639 N/A GLY 39.A N THR 36.A OG1 no hydrogen 3.047 N/A MET 40.A N THR 36.A O no hydrogen 2.992 N/A ASN 41.A N PRO 37.A O no hydrogen 2.977 N/A GLN 42.A N ILE 38.A O no hydrogen 2.875 N/A GLU 43.A N GLY 39.A O no hydrogen 3.148 N/A TYR 44.A N MET 40.A O no hydrogen 2.855 N/A ASN 45.A N ASN 41.A O no hydrogen 2.880 N/A ASN 45.A ND2 ASN 41.A O no hydrogen 3.029 N/A ASN 45.A ND2 ASN 41.A OD1 no hydrogen 3.193 N/A LEU 46.A N GLN 42.A O no hydrogen 2.991 N/A GLY 47.A N GLU 43.A O no hydrogen 2.865 N/A LEU 48.A N TYR 44.A O no hydrogen 2.987 N/A GLN 49.A N ASN 45.A O no hydrogen 3.045 N/A LEU 50.A N LEU 46.A O no hydrogen 2.835 N/A ARG 51.A N GLY 47.A O no hydrogen 2.924 N/A ARG 51.A NH1 GLU 63.A O no hydrogen 2.953 N/A ARG 51.A NH2 GLU 63.A O no hydrogen 3.135 N/A ARG 51.A NH2 LEU 91.A O no hydrogen 2.824 N/A LYS 52.A N LEU 48.A O no hydrogen 3.090 N/A ARG 53.A N GLN 49.A O no hydrogen 3.051 N/A ARG 53.A NE TYR 54.A OH no hydrogen 3.287 N/A ARG 53.A NE GLU 282.A OE2 no hydrogen 3.309 N/A ARG 53.A NH2 GLU 282.A OE2 no hydrogen 2.950 N/A TYR 54.A N LEU 50.A O no hydrogen 2.808 N/A TYR 54.A OH GLU 282.A OE2 no hydrogen 2.514 N/A ILE 55.A N ARG 51.A O no hydrogen 2.987 N/A ASP 56.A N ARG 51.A O no hydrogen 2.900 N/A LYS 57.A N LYS 52.A O no hydrogen 2.965 N/A PHE 58.A N ARG 53.A O no hydrogen 2.934 N/A LEU 61.A N TYR 54.A O no hydrogen 3.091 N/A HIS 64.A ND1 THR 96.A O no hydrogen 3.315 N/A TYR 65.A OH ILE 70.A O no hydrogen 3.328 N/A SER 69.A N VAL 66.A O no hydrogen 3.003 N/A SER 69.A OG VAL 66.A O no hydrogen 2.667 N/A ILE 70.A N TYR 65.A OH no hydrogen 3.368 N/A TYR 71.A N MET 248.A O no hydrogen 2.968 N/A LEU 73.A N TYR 250.A O no hydrogen 2.869 N/A SER 74.A N MET 116.A O no hydrogen 2.851 N/A SER 74.A OG SER 75.A O no hydrogen 2.993 N/A SER 75.A N SER 252.A O no hydrogen 3.232 N/A SER 75.A OG THR 80.A OG1 no hydrogen 2.758 N/A SER 75.A OG HIS 254.A NE2 no hydrogen 2.682 N/A HIS 76.A ND1 LEU 118.A O no hydrogen 2.941 N/A THR 77.A N SER 75.A O no hydrogen 2.893 N/A THR 77.A OG1 THR 80.A OG1 no hydrogen 2.751 N/A ASN 78.A ND2 GLU 34.A OE1 no hydrogen 3.445 N/A ASN 78.A ND2 GLU 34.A OE2 no hydrogen 2.970 N/A THR 80.A N THR 77.A OG1 no hydrogen 3.070 N/A THR 80.A OG1 SER 74.A OG no hydrogen 2.868 N/A THR 80.A OG1 SER 75.A O no hydrogen 3.083 N/A THR 80.A OG1 SER 75.A OG no hydrogen 2.758 N/A THR 80.A OG1 THR 77.A O no hydrogen 3.234 N/A THR 80.A OG1 THR 77.A OG1 no hydrogen 2.751 N/A VAL 81.A N THR 77.A O no hydrogen 3.128 N/A VAL 82.A N ASN 78.A O no hydrogen 2.804 N/A SER 83.A N ARG 79.A O no hydrogen 2.914 N/A SER 83.A OG ARG 79.A O no hydrogen 2.716 N/A ALA 84.A N THR 80.A O no hydrogen 3.004 N/A GLN 85.A N VAL 81.A O no hydrogen 2.908 N/A SER 86.A N VAL 82.A O no hydrogen 2.883 N/A SER 86.A OG VAL 82.A O no hydrogen 2.776 N/A LEU 87.A N SER 83.A O no hydrogen 2.878 N/A LEU 88.A N ALA 84.A O no hydrogen 2.872 N/A MET 89.A N GLN 85.A O no hydrogen 2.961 N/A GLY 90.A N LEU 87.A O no hydrogen 2.778 N/A LEU 91.A N LEU 87.A O no hydrogen 2.857 N/A TYR 92.A N LEU 88.A O no hydrogen 2.873 N/A TYR 92.A OH PRO 62.A O no hydrogen 2.689 N/A GLY 95.A N ASP 108.A O no hydrogen 2.939 N/A GLY 95.A N ARG 109.A O no hydrogen 3.167 N/A THR 96.A N PRO 93.A O no hydrogen 3.009 N/A THR 96.A OG1 PRO 93.A O no hydrogen 2.723 N/A GLY 97.A N ARG 109.A O no hydrogen 2.805 N/A ILE 100.A N ASP 103.A O no hydrogen 2.655 N/A ASP 103.A N ILE 100.A O no hydrogen 3.312 N/A ALA 105.A N PRO 98.A O no hydrogen 2.985 N/A ARG 109.A N ILE 106.A O no hydrogen 2.770 N/A ARG 109.A NE GLY 97.A O no hydrogen 2.680 N/A ARG 109.A NH1 GLY 97.A O no hydrogen 2.971 N/A GLN 111.A NE2 PRO 112.A O no hydrogen 2.920 N/A MET 116.A N VAL 72.A O no hydrogen 3.006 N/A THR 117.A OG1 LEU 118.A O no hydrogen 3.490 N/A LEU 118.A N SER 74.A O no hydrogen 2.878 N/A SER 119.A OG ASP 121.A OD1 no hydrogen 2.934 N/A SER 122.A N SER 119.A O no hydrogen 3.102 N/A ARG 123.A NH2 GLN 131.A OE1 no hydrogen 2.937 N/A LEU 124.A N SER 122.A OG no hydrogen 3.091 N/A TYR 132.A N PRO 128.A O no hydrogen 2.871 N/A TYR 132.A OH GLN 214.A OE1 no hydrogen 2.627 N/A LEU 133.A N TYR 129.A O no hydrogen 2.868 N/A ALA 134.A N GLU 130.A O no hydrogen 3.012 N/A VAL 135.A N GLN 131.A O no hydrogen 3.030 N/A LEU 136.A N TYR 132.A O no hydrogen 3.018 N/A LYS 137.A N LEU 133.A O no hydrogen 2.869 N/A LYS 138.A N ALA 134.A O no hydrogen 3.029 N/A LYS 138.A NZ TYR 139.A OH no hydrogen 3.406 N/A TYR 139.A N VAL 135.A O no hydrogen 2.845 N/A VAL 140.A N LEU 136.A O no hydrogen 2.779 N/A TYR 141.A N LEU 136.A O no hydrogen 2.783 N/A SER 143.A N VAL 140.A O no hydrogen 2.979 N/A SER 143.A OG VAL 140.A O no hydrogen 2.818 N/A GLU 145.A N GLU 145.A OE1 no hydrogen 2.625 N/A TRP 146.A N SER 143.A OG no hydrogen 3.400 N/A GLN 147.A N SER 143.A O no hydrogen 2.925 N/A ASN 148.A N PRO 144.A O no hydrogen 2.827 N/A LYS 149.A N GLU 145.A O no hydrogen 3.094 N/A LYS 149.A NZ GLU 152.A OE1 no hydrogen 3.028 N/A THR 150.A N TRP 146.A O no hydrogen 2.897 N/A THR 150.A OG1 TRP 146.A O no hydrogen 2.885 N/A LYS 151.A N GLN 147.A O no hydrogen 2.973 N/A GLU 152.A N ASN 148.A O no hydrogen 3.193 N/A ALA 153.A N LYS 149.A O no hydrogen 3.046 N/A ALA 154.A N THR 150.A O no hydrogen 2.749 N/A ASN 156.A N ALA 153.A O no hydrogen 2.929 N/A PHE 157.A N ALA 154.A O no hydrogen 3.044 N/A LYS 159.A NZ ASP 199.A OD1 no hydrogen 3.210 N/A LYS 159.A NZ ASP 199.A OD2 no hydrogen 3.562 N/A TRP 160.A N ASN 156.A O no hydrogen 2.961 N/A TRP 160.A NE1 ASP 199.A OD1 no hydrogen 3.157 N/A GLN 161.A N PHE 157.A O no hydrogen 2.814 N/A GLN 162.A N ALA 158.A O no hydrogen 2.934 N/A ILE 163.A N LYS 159.A O no hydrogen 2.851 N/A LEU 164.A N TRP 160.A O no hydrogen 2.847 N/A GLY 165.A N GLN 161.A O no hydrogen 2.877 N/A ASN 166.A ND2 ASN 20.A O no hydrogen 2.963 N/A ARG 167.A NE ASP 173.A OD2 no hydrogen 2.749 N/A ARG 167.A NH2 ASP 173.A OD1 no hydrogen 2.743 N/A ILE 168.A N GLN 161.A OE1 no hydrogen 2.871 N/A SER 169.A N ASP 173.A OD2 no hydrogen 2.823 N/A SER 169.A OG ASP 173.A OD2 no hydrogen 2.975 N/A ASP 173.A N ASN 172.A OD1 no hydrogen 2.802 N/A VAL 174.A N GLY 170.A O no hydrogen 3.203 N/A ILE 175.A N LEU 171.A O no hydrogen 2.838 N/A THR 176.A N ASN 172.A O no hydrogen 3.014 N/A THR 176.A OG1 ASN 172.A O no hydrogen 3.090 N/A VAL 177.A N ASP 173.A O no hydrogen 3.037 N/A GLY 178.A N VAL 174.A O no hydrogen 2.691 N/A ASP 179.A N ILE 175.A O no hydrogen 3.181 N/A LEU 181.A N VAL 177.A O no hydrogen 3.157 N/A ILE 182.A N GLY 178.A O no hydrogen 2.944 N/A VAL 183.A N ASP 179.A O no hydrogen 2.991 N/A ALA 184.A N VAL 180.A O no hydrogen 2.874 N/A GLN 185.A N LEU 181.A O no hydrogen 2.903 N/A ALA 186.A N ILE 182.A O no hydrogen 2.879 N/A HIS 187.A N VAL 183.A O no hydrogen 2.928 N/A HIS 187.A N ALA 184.A O no hydrogen 3.188 N/A HIS 187.A ND1 VAL 183.A O no hydrogen 3.168 N/A GLY 188.A N GLN 185.A O no hydrogen 3.076 N/A LYS 189.A N ALA 184.A O no hydrogen 2.835 N/A LYS 189.A NZ SER 27.A O no hydrogen 2.843 N/A LEU 195.A N PRO 192.A O no hydrogen 3.098 N/A GLN 197.A NE2 GLN 197.A O no hydrogen 3.430 N/A GLN 197.A NE2 ASP 201.A OD1 no hydrogen 3.000 N/A ASP 199.A N SER 196.A OG no hydrogen 2.967 N/A ALA 200.A N SER 196.A O no hydrogen 2.902 N/A ASP 201.A N GLN 197.A O no hydrogen 2.796 N/A GLN 202.A N GLU 198.A O no hydrogen 3.028 N/A ILE 203.A N ASP 199.A O no hydrogen 2.981 N/A ILE 204.A N ALA 200.A O no hydrogen 2.892 N/A ALA 205.A N ASP 201.A O no hydrogen 2.834 N/A LEU 206.A N GLN 202.A O no hydrogen 2.903 N/A THR 207.A N ILE 203.A O no hydrogen 2.950 N/A THR 207.A OG1 VAL 174.A O no hydrogen 3.469 N/A THR 207.A OG1 ILE 203.A O no hydrogen 2.813 N/A ASP 208.A N ILE 204.A O no hydrogen 2.974 N/A TRP 209.A N ALA 205.A O no hydrogen 3.017 N/A GLY 210.A N LEU 206.A O no hydrogen 2.808 N/A LEU 211.A N THR 207.A O no hydrogen 3.053 N/A ALA 212.A N ASP 208.A O no hydrogen 3.187 N/A GLN 213.A N TRP 209.A O no hydrogen 2.809 N/A GLN 214.A N GLY 210.A O no hydrogen 3.293 N/A PHE 215.A N ALA 212.A O no hydrogen 3.090 N/A LYS 216.A N GLN 213.A O no hydrogen 3.075 N/A GLN 218.A NE2 THR 264.A O no hydrogen 2.863 N/A VAL 220.A N SER 217.A OG no hydrogen 3.110 N/A SER 221.A N SER 217.A O no hydrogen 2.988 N/A SER 221.A OG PHE 215.A O no hydrogen 2.949 N/A SER 221.A OG SER 217.A O no hydrogen 3.107 N/A TYR 222.A N GLN 218.A O no hydrogen 2.805 N/A TYR 222.A OH ASN 325.A OD1 no hydrogen 2.667 N/A ILE 223.A N LYS 219.A O no hydrogen 2.930 N/A MET 224.A N VAL 220.A O no hydrogen 3.198 N/A GLY 225.A N SER 221.A O no hydrogen 2.594 N/A GLY 226.A N TYR 222.A O no hydrogen 2.767 N/A THR 229.A N GLY 225.A O no hydrogen 2.927 N/A THR 229.A OG1 GLY 225.A O no hydrogen 2.726 N/A ASN 230.A N GLY 226.A O no hydrogen 2.919 N/A ASN 230.A ND2 GLY 226.A O no hydrogen 2.893 N/A ASN 230.A ND2 ASN 325.A OD1 no hydrogen 2.919 N/A ARG 231.A N LYS 227.A O no hydrogen 3.033 N/A MET 232.A N LEU 228.A O no hydrogen 2.943 N/A ILE 233.A N THR 229.A O no hydrogen 3.152 N/A GLU 234.A N ASN 230.A O no hydrogen 2.847 N/A ASP 235.A N ARG 231.A O no hydrogen 2.815 N/A LEU 236.A N MET 232.A O no hydrogen 3.149 N/A ASN 237.A N ILE 233.A O no hydrogen 2.987 N/A ASN 237.A ND2 ASN 318.A OD1 no hydrogen 2.804 N/A ASN 238.A N GLU 234.A O no hydrogen 2.824 N/A ALA 239.A N ASP 235.A O no hydrogen 3.155 N/A ALA 239.A N LEU 236.A O no hydrogen 3.165 N/A VAL 240.A N ASN 237.A O no hydrogen 3.044 N/A ASN 241.A N ASN 237.A O no hydrogen 2.878 N/A ASN 241.A ND2 ASN 238.A OD1 no hydrogen 3.122 N/A LYS 243.A N ASN 241.A OD1 no hydrogen 2.741 N/A SER 244.A N ASN 238.A O no hydrogen 3.123 N/A TYR 246.A N SER 244.A OG no hydrogen 3.195 N/A LYS 247.A N SER 69.A O no hydrogen 2.756 N/A MET 248.A N SER 69.A O no hydrogen 3.335 N/A THR 249.A N VAL 6.A O no hydrogen 3.089 N/A THR 249.A OG1 SER 7.A OG no hydrogen 2.840 N/A THR 249.A OG1 ASP 235.A OD2 no hydrogen 2.755 N/A TYR 250.A N TYR 71.A O no hydrogen 2.738 N/A TYR 250.A OH THR 10.A OG1 no hydrogen 2.832 N/A TYR 251.A N MET 8.A O no hydrogen 2.776 N/A TYR 251.A OH ASP 235.A OD2 no hydrogen 2.552 N/A SER 252.A N LEU 73.A O no hydrogen 2.809 N/A SER 252.A OG THR 80.A O no hydrogen 2.646 N/A GLY 253.A N THR 10.A O no hydrogen 2.855 N/A HIS 254.A N THR 257.A OG1 no hydrogen 2.890 N/A HIS 254.A NE2 SER 75.A OG no hydrogen 2.682 N/A THR 257.A OG1 ILE 125.A O no hydrogen 2.754 N/A THR 257.A OG1 HIS 254.A O no hydrogen 3.407 N/A LEU 258.A N HIS 254.A O no hydrogen 3.374 N/A LEU 259.A N ASP 255.A O no hydrogen 2.932 N/A GLU 260.A N LEU 256.A O no hydrogen 2.760 N/A VAL 261.A N THR 257.A O no hydrogen 3.183 N/A MET 262.A N LEU 258.A O no hydrogen 3.043 N/A GLY 263.A N LEU 259.A O no hydrogen 2.818 N/A THR 264.A N GLU 260.A O no hydrogen 2.818 N/A THR 264.A OG1 GLU 260.A O no hydrogen 2.739 N/A LEU 265.A N VAL 261.A O no hydrogen 3.010 N/A GLY 266.A N GLY 263.A O no hydrogen 3.176 N/A VAL 267.A N MET 262.A O no hydrogen 2.934 N/A ALA 272.A N ASP 208.A OD1 no hydrogen 2.781 N/A ALA 276.A N HIS 12.A O no hydrogen 3.078 N/A SER 277.A N GLY 274.A O no hydrogen 3.208 N/A SER 277.A OG GLY 274.A O no hydrogen 2.891 N/A ASN 278.A N ASN 297.A OD1 no hydrogen 2.888 N/A ASN 278.A ND2 GLU 280.A OE1 no hydrogen 3.434 N/A ASN 278.A ND2 GLU 280.A OE2 no hydrogen 2.587 N/A LEU 279.A N ILE 9.A O no hydrogen 2.844 N/A GLU 280.A N ARG 295.A O no hydrogen 2.792 N/A MET 281.A N SER 7.A O no hydrogen 2.734 N/A GLU 282.A N LYS 293.A O no hydrogen 2.853 N/A LEU 283.A N PHE 5.A O no hydrogen 2.832 N/A TYR 284.A N THR 291.A O no hydrogen 2.776 N/A TYR 284.A OH GLU 282.A OE1 no hydrogen 2.626 N/A LYS 285.A N LYS 2.A O no hydrogen 2.810 N/A LYS 285.A NZ TYR 290.A OH no hydrogen 3.480 N/A ASP 286.A N ILE 289.A O no hydrogen 2.851 N/A ILE 289.A N ASP 286.A O no hydrogen 3.034 N/A THR 291.A N TYR 284.A O no hydrogen 2.924 N/A VAL 292.A N CYS 312.A O no hydrogen 2.718 N/A LYS 293.A N GLU 282.A O no hydrogen 3.006 N/A LYS 293.A NZ ASN 309.A O no hydrogen 3.330 N/A ARG 295.A N GLU 280.A O no hydrogen 2.833 N/A TYR 296.A N LYS 299.A O no hydrogen 2.876 N/A ASN 297.A N ASN 278.A O no hydrogen 2.924 N/A ASN 297.A ND2 SER 277.A OG no hydrogen 3.080 N/A LYS 299.A N TYR 296.A O no hydrogen 3.156 N/A TYR 300.A OH GLU 282.A OE1 no hydrogen 2.834 N/A VAL 301.A N LEU 294.A O no hydrogen 2.686 N/A MET 306.A N LEU 303.A O no hydrogen 2.954 N/A ASP 307.A N SER 311.A O no hydrogen 2.878 N/A ASN 309.A N ASP 307.A OD1 no hydrogen 2.864 N/A ASN 310.A N ASP 307.A O no hydrogen 3.007 N/A SER 311.A N ASP 307.A OD1 no hydrogen 3.107 N/A SER 311.A OG ASP 307.A OD1 no hydrogen 2.943 N/A SER 311.A OG ASP 307.A OD2 no hydrogen 3.151 N/A CYS 312.A N VAL 292.A O no hydrogen 3.253 N/A CYS 312.A SG SER 313.A O no hydrogen 3.629 N/A LEU 314.A N TYR 290.A O no hydrogen 3.063 N/A ALA 316.A N SER 313.A OG no hydrogen 2.805 N/A LEU 317.A N SER 313.A O no hydrogen 3.009 N/A ASN 318.A N LEU 314.A O no hydrogen 2.884 N/A ASN 318.A ND2 ASN 237.A OD1 no hydrogen 2.999 N/A LYS 319.A N ASP 315.A O no hydrogen 2.968 N/A TYR 320.A N ALA 316.A O no hydrogen 2.855 N/A TYR 320.A OH LEU 265.A O no hydrogen 2.557 N/A MET 321.A N LEU 317.A O no hydrogen 2.828 N/A GLN 322.A N ASN 318.A O no hydrogen 2.827 N/A SER 323.A N LYS 319.A O no hydrogen 3.020 N/A SER 323.A OG TYR 320.A O no hydrogen 2.665 N/A ILE 324.A N TYR 320.A O no hydrogen 3.163 N/A ASN 325.A N MET 321.A O no hydrogen 2.893 N/A ASN 325.A ND2 ASN 230.A OD1 no hydrogen 2.823 N/A GLU 326.A N GLN 322.A O no hydrogen 2.904 N/A LYS 327.A N SER 323.A O no hydrogen 2.687 N/A LYS 327.A NZ GLN 218.A OE1 no hydrogen 3.150 N/A PHE 328.A N ILE 324.A O no hydrogen 2.951 N/A PHE 328.A N ASN 325.A O no hydrogen 2.997 N/A