Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1o0r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A N ILE 46.A O no hydrogen 3.165 N/A SER 7.A OG ARG 77.A O no hydrogen 2.527 N/A LEU 9.A N SER 7.A OG no hydrogen 3.147 N/A LEU 10.A N SER 7.A O no hydrogen 3.452 N/A VAL 11.A N ASP 129.A OD2 no hydrogen 2.671 N/A GLY 12.A N ASP 129.A OD1 no hydrogen 2.724 N/A MET 14.A N MET 127.A O no hydrogen 2.849 N/A GLU 17.A N TYR 70.A OH no hydrogen 2.851 N/A ASN 19.A ND2 GLU 17.A OE2 no hydrogen 2.558 N/A ILE 20.A N GLU 17.A OE1 no hydrogen 2.808 N/A LEU 26.A N ASP 23.A O no hydrogen 2.625 N/A LEU 26.A N ASP 23.A OD1 no hydrogen 2.768 N/A VAL 27.A N ASP 23.A O no hydrogen 2.968 N/A GLU 28.A N LEU 24.A O no hydrogen 2.825 N/A GLN 29.A N LYS 25.A O no hydrogen 3.007 N/A GLN 30.A N LEU 26.A O no hydrogen 2.640 N/A ASN 31.A N VAL 27.A O no hydrogen 2.880 N/A ASN 31.A N GLU 28.A O no hydrogen 3.160 N/A ASN 31.A ND2 VAL 27.A O no hydrogen 2.929 N/A VAL 34.A N ASN 31.A O no hydrogen 3.260 N/A LYS 35.A N ARG 39.A O no hydrogen 2.491 N/A GLY 37.A N TYR 257.A O no hydrogen 2.657 N/A GLY 38.A N PRO 258.A O no hydrogen 3.236 N/A ARG 39.A N LYS 35.A O no hydrogen 2.931 N/A ARG 39.A NH1 ASP 81.A OD1 no hydrogen 2.824 N/A ARG 39.A NH1 TYR 82.A O no hydrogen 2.694 N/A ARG 39.A NH2 ASP 81.A OD1 no hydrogen 3.275 N/A TYR 40.A N TYR 82.A O no hydrogen 3.066 N/A THR 41.A OG1 ASP 81.A OD1 no hydrogen 2.978 N/A ASP 44.A N ASP 44.A OD2 no hydrogen 2.433 N/A CYS 45.A SG GLN 79.A OE1 no hydrogen 3.853 N/A ILE 46.A N THR 1.A O no hydrogen 2.682 N/A SER 47.A OG HIS 49.A O no hydrogen 3.145 N/A SER 47.A OG GLN 79.A O no hydrogen 3.517 N/A HIS 49.A N SER 47.A OG no hydrogen 2.996 N/A LYS 50.A N ASN 115.A OD1 no hydrogen 3.082 N/A LYS 50.A NZ ASP 113.A O no hydrogen 3.017 N/A LYS 50.A NZ ASP 113.A OD2 no hydrogen 2.468 N/A VAL 51.A N ASP 81.A O no hydrogen 2.767 N/A ALA 52.A N CYS 116.A O no hydrogen 2.973 N/A ILE 53.A N GLY 83.A O no hydrogen 2.722 N/A ILE 54.A N VAL 118.A O no hydrogen 2.708 N/A ILE 55.A N TYR 85.A O no hydrogen 2.845 N/A PHE 57.A N ILE 87.A O no hydrogen 2.705 N/A ARG 58.A NH1 SER 93.A O no hydrogen 3.419 N/A ARG 58.A NH2 SER 93.A O no hydrogen 2.594 N/A ARG 60.A NH1 ASP 219.A OD1 no hydrogen 2.988 N/A ARG 60.A NH2 ASP 123.A OD1 no hydrogen 3.203 N/A LEU 64.A N ARG 60.A O no hydrogen 2.884 N/A LYS 65.A N GLN 61.A O no hydrogen 2.917 N/A TYR 66.A N GLU 62.A O no hydrogen 3.443 N/A TYR 66.A OH ILE 20.A O no hydrogen 2.674 N/A TRP 67.A N HIS 63.A O no hydrogen 2.905 N/A LEU 68.A N LEU 64.A O no hydrogen 2.984 N/A TYR 69.A N LYS 65.A O no hydrogen 3.091 N/A TYR 70.A N TYR 66.A O no hydrogen 3.055 N/A TYR 70.A OH GLU 17.A O no hydrogen 2.459 N/A LEU 71.A N TRP 67.A O no hydrogen 2.820 N/A HIS 72.A N LEU 68.A O no hydrogen 3.270 N/A HIS 72.A ND1 TYR 82.A OH no hydrogen 2.990 N/A HIS 72.A NE2 LEU 259.A O no hydrogen 2.887 N/A LEU 75.A N LEU 71.A O no hydrogen 2.610 N/A GLN 76.A N HIS 72.A O no hydrogen 3.166 N/A ARG 77.A N PRO 73.A O no hydrogen 3.141 N/A ARG 77.A NE ASP 129.A OD2 no hydrogen 3.193 N/A GLN 78.A N ILE 74.A O no hydrogen 2.936 N/A GLN 78.A NE2 ASP 129.A O no hydrogen 3.004 N/A GLN 78.A NE2 ASN 131.A O no hydrogen 3.094 N/A GLN 79.A N GLN 76.A O no hydrogen 2.894 N/A ASP 81.A N HIS 49.A O no hydrogen 3.155 N/A TYR 82.A N TYR 40.A O no hydrogen 2.954 N/A TYR 82.A OH HIS 72.A ND1 no hydrogen 2.990 N/A GLY 83.A N VAL 51.A O no hydrogen 2.866 N/A TYR 85.A N ILE 53.A O no hydrogen 2.795 N/A TYR 85.A OH ASP 111.A OD2 no hydrogen 2.696 N/A TYR 85.A OH TYR 114.A OH no hydrogen 2.664 N/A VAL 86.A N THR 261.A O no hydrogen 2.748 N/A ILE 87.A N ILE 55.A O no hydrogen 2.987 N/A ASN 88.A N ILE 263.A O no hydrogen 3.003 N/A GLN 89.A N PHE 57.A O no hydrogen 2.854 N/A GLN 89.A NE2 MET 94.A O no hydrogen 3.021 N/A ALA 90.A N VAL 265.A O no hydrogen 2.696 N/A PHE 95.A N LYS 221.A O no hydrogen 2.808 N/A ASN 96.A N GLN 89.A OE1 no hydrogen 3.071 N/A ARG 97.A NH1 GLU 186.A OE1 no hydrogen 2.705 N/A LYS 99.A NZ THR 248.A O no hydrogen 3.506 N/A LYS 99.A NZ ILE 267.A O no hydrogen 2.543 N/A LEU 100.A N ASN 96.A O no hydrogen 3.208 N/A LEU 101.A N ARG 97.A O no hydrogen 3.025 N/A ASN 102.A N ALA 98.A O no hydrogen 3.115 N/A ASN 102.A ND2 PHE 176.A O no hydrogen 2.927 N/A ASN 102.A ND2 ASN 178.A OD1 no hydrogen 2.753 N/A VAL 103.A N LYS 99.A O no hydrogen 3.033 N/A GLY 104.A N LEU 100.A O no hydrogen 2.882 N/A PHE 105.A N LEU 101.A O no hydrogen 3.033 N/A LYS 106.A N ASN 102.A O no hydrogen 2.986 N/A LYS 106.A NZ LEU 244.A O no hydrogen 3.090 N/A GLU 107.A N VAL 103.A O no hydrogen 2.778 N/A ALA 108.A N GLY 104.A O no hydrogen 2.811 N/A LEU 109.A N PHE 105.A O no hydrogen 3.281 N/A LYS 110.A N GLU 107.A O no hydrogen 3.218 N/A LYS 110.A NZ GLU 107.A OE1 no hydrogen 2.740 N/A ASP 111.A N ALA 108.A O no hydrogen 2.823 N/A TYR 112.A N ALA 108.A O no hydrogen 3.254 N/A TYR 112.A OH ASP 81.A OD2 no hydrogen 2.599 N/A TYR 114.A N TYR 112.A O no hydrogen 2.877 N/A TYR 114.A OH TYR 85.A OH no hydrogen 2.664 N/A ASN 115.A N LYS 50.A O no hydrogen 2.986 N/A ASN 115.A ND2 PRO 48.A O no hydrogen 3.222 N/A CYS 116.A N LYS 50.A O no hydrogen 3.004 N/A PHE 117.A N LEU 165.A O no hydrogen 3.024 N/A VAL 118.A N ALA 52.A O no hydrogen 2.864 N/A PHE 119.A N SER 163.A O no hydrogen 2.698 N/A SER 120.A N ILE 54.A O no hydrogen 2.884 N/A SER 120.A OG ASP 121.A O no hydrogen 2.788 N/A ASP 121.A N GLY 161.A O no hydrogen 3.064 N/A ILE 125.A N ARG 212.A O no hydrogen 2.967 N/A MET 127.A N LYS 210.A O no hydrogen 2.770 N/A ASP 129.A N GLY 12.A O no hydrogen 3.105 N/A HIS 130.A N ASN 128.A OD1 no hydrogen 2.816 N/A ASN 131.A N ASN 128.A O no hydrogen 3.063 N/A ASN 131.A ND2 ILE 142.A O no hydrogen 3.038 N/A THR 132.A OG1 HIS 130.A O no hydrogen 3.394 N/A TYR 133.A N GLN 78.A OE1 no hydrogen 2.972 N/A ARG 134.A NH2 CYS 135.A O no hydrogen 2.842 N/A ARG 140.A N ALA 164.A O no hydrogen 2.910 N/A ARG 140.A NH2 SER 202.A OG no hydrogen 2.897 N/A HIS 141.A N SER 202.A O no hydrogen 2.969 N/A HIS 141.A NE2 GLY 160.A O no hydrogen 2.943 N/A ILE 142.A N VAL 162.A O no hydrogen 3.017 N/A SER 143.A N VAL 162.A O no hydrogen 3.418 N/A VAL 144.A N ILE 142.A O no hydrogen 2.883 N/A ALA 145.A N GLY 209.A O no hydrogen 3.279 N/A ASP 147.A N THR 211.A O no hydrogen 3.023 N/A PHE 149.A N MET 146.A O no hydrogen 2.971 N/A GLY 150.A N ASP 147.A O no hydrogen 3.058 N/A PHE 151.A N MET 146.A O no hydrogen 2.708 N/A TYR 155.A OH ASP 188.A OD1 no hydrogen 2.394 N/A GLN 157.A N GLN 157.A OE1 no hydrogen 2.932 N/A TYR 158.A N TYR 155.A O no hydrogen 2.794 N/A VAL 162.A N SER 143.A OG no hydrogen 2.720 N/A SER 163.A N PHE 119.A O no hydrogen 2.923 N/A ALA 164.A N ARG 140.A O no hydrogen 2.898 N/A LEU 165.A N PHE 117.A O no hydrogen 2.928 N/A SER 166.A N GLN 169.A OE1 no hydrogen 2.959 N/A LYS 167.A N ASN 115.A O no hydrogen 2.833 N/A GLN 169.A N SER 166.A OG no hydrogen 3.095 N/A GLN 169.A NE2 PHE 136.A O no hydrogen 3.055 N/A PHE 170.A N SER 166.A O no hydrogen 2.929 N/A LEU 171.A N LYS 167.A O no hydrogen 3.027 N/A SER 172.A N GLN 168.A O no hydrogen 2.999 N/A SER 172.A OG GLN 168.A O no hydrogen 3.463 N/A SER 172.A OG GLN 169.A O no hydrogen 2.761 N/A ILE 173.A N PHE 170.A O no hydrogen 3.297 N/A ASN 174.A N LEU 171.A O no hydrogen 3.020 N/A ASN 174.A ND2 MET 239.A O no hydrogen 2.889 N/A ASN 174.A ND2 ASN 245.A OD1 no hydrogen 3.103 N/A GLY 175.A N PHE 170.A O no hydrogen 3.020 N/A PHE 176.A N ASN 102.A OD1 no hydrogen 2.927 N/A ASN 178.A N ASP 242.A OD1 no hydrogen 2.839 N/A ASN 178.A N ASP 242.A OD2 no hydrogen 3.015 N/A ASN 178.A ND2 ASP 242.A OD1 no hydrogen 3.228 N/A ASN 178.A ND2 GLY 243.A O no hydrogen 2.801 N/A ASN 179.A N ASP 242.A OD2 no hydrogen 3.046 N/A TYR 180.A OH ASP 189.A OD1 no hydrogen 2.556 N/A GLY 182.A N PHE 95.A O no hydrogen 2.911 N/A TRP 183.A N GLU 223.A O no hydrogen 2.886 N/A GLU 186.A N GLU 186.A OE2 no hydrogen 2.875 N/A ASP 188.A N ASP 187.A OD2 no hydrogen 2.887 N/A ASP 189.A N GLY 185.A O no hydrogen 2.881 N/A ILE 190.A N GLU 186.A O no hydrogen 2.872 N/A TYR 191.A N ASP 187.A O no hydrogen 2.927 N/A ASN 192.A N ASP 188.A O no hydrogen 2.983 N/A ASN 192.A ND2 THR 235.A OG1 no hydrogen 2.946 N/A ARG 193.A N ASP 189.A O no hydrogen 3.062 N/A ARG 193.A NE ASP 189.A OD2 no hydrogen 2.897 N/A ARG 193.A NH1 ASP 242.A O no hydrogen 2.500 N/A ARG 193.A NH2 ILE 173.A O no hydrogen 3.249 N/A ARG 193.A NH2 GLY 175.A O no hydrogen 2.887 N/A ARG 193.A NH2 ASP 242.A O no hydrogen 3.007 N/A LEU 194.A N ILE 190.A O no hydrogen 3.026 N/A ALA 195.A N TYR 191.A O no hydrogen 2.996 N/A PHE 196.A N ASN 192.A O no hydrogen 2.727 N/A ARG 197.A N ARG 193.A O no hydrogen 2.993 N/A ARG 197.A N LEU 194.A O no hydrogen 2.925 N/A GLY 198.A N ALA 195.A O no hydrogen 2.953 N/A MET 199.A N LEU 194.A O no hydrogen 3.002 N/A SER 200.A N GLN 138.A OE1 no hydrogen 2.700 N/A SER 202.A N PRO 139.A O no hydrogen 2.838 N/A ARG 203.A NE HIS 141.A ND1 no hydrogen 2.862 N/A ARG 203.A NH1 VAL 156.A O no hydrogen 3.280 N/A ARG 203.A NH2 HIS 141.A ND1 no hydrogen 3.451 N/A ARG 203.A NH2 VAL 156.A O no hydrogen 3.060 N/A ARG 203.A NH2 TYR 158.A O no hydrogen 2.705 N/A GLY 209.A N ASN 205.A O no hydrogen 3.050 N/A LYS 210.A NZ VAL 207.A O no hydrogen 3.234 N/A THR 211.A N ALA 145.A O no hydrogen 3.209 N/A ARG 212.A N ILE 125.A O no hydrogen 2.968 N/A MET 213.A N ASP 147.A OD2 no hydrogen 2.821 N/A ILE 214.A N ASP 123.A O no hydrogen 2.889 N/A HIS 216.A ND1 SER 217.A O no hydrogen 2.890 N/A ASN 222.A N ASP 219.A O no hydrogen 3.154 N/A ASN 225.A N TRP 183.A O no hydrogen 2.829 N/A GLN 227.A N ASN 225.A OD1 no hydrogen 2.640 N/A ARG 228.A N ASN 225.A O no hydrogen 3.000 N/A ARG 228.A NH1 ASN 225.A O no hydrogen 3.011 N/A ARG 231.A N GLN 227.A O no hydrogen 3.053 N/A ARG 231.A NE GLN 227.A OE1 no hydrogen 3.213 N/A ARG 231.A NH1 GLN 227.A OE1 no hydrogen 3.114 N/A ILE 232.A N ARG 228.A O no hydrogen 2.868 N/A ALA 233.A N PHE 229.A O no hydrogen 3.220 N/A HIS 234.A N ARG 231.A O no hydrogen 3.026 N/A HIS 234.A ND1 ASP 230.A O no hydrogen 2.946 N/A THR 235.A N ILE 232.A O no hydrogen 3.493 N/A THR 235.A OG1 ASP 189.A OD1 no hydrogen 2.888 N/A THR 235.A OG1 ILE 232.A O no hydrogen 3.343 N/A THR 238.A N HIS 234.A O no hydrogen 3.033 N/A THR 238.A OG1 HIS 234.A O no hydrogen 3.245 N/A THR 238.A OG1 THR 235.A O no hydrogen 3.512 N/A MET 239.A N THR 235.A O no hydrogen 2.756 N/A SER 241.A N THR 238.A O no hydrogen 2.828 N/A ASP 242.A N THR 238.A O no hydrogen 2.908 N/A GLY 243.A N SER 246.A OG no hydrogen 3.221 N/A LEU 244.A N ASN 174.A O no hydrogen 2.970 N/A ASN 245.A N ASN 174.A OD1 no hydrogen 2.829 N/A ASN 245.A ND2 LEU 240.A O no hydrogen 2.676 N/A SER 246.A N GLY 243.A O no hydrogen 2.950 N/A SER 246.A OG SER 241.A O no hydrogen 3.162 N/A SER 246.A OG GLY 243.A O no hydrogen 3.300 N/A LEU 247.A N LEU 244.A O no hydrogen 3.306 N/A TYR 249.A OH GLU 107.A OE1 no hydrogen 2.464 N/A MET 250.A N ASP 266.A O no hydrogen 3.028 N/A LEU 252.A N THR 264.A O no hydrogen 2.945 N/A GLN 255.A N LYS 262.A O no hydrogen 2.918 N/A ARG 256.A NH2 ASP 111.A OD1 no hydrogen 2.733 N/A TYR 257.A N TYR 260.A O no hydrogen 3.027 N/A TYR 257.A OH GLN 255.A OE1 no hydrogen 2.632 N/A THR 261.A N ILE 84.A O no hydrogen 2.820 N/A THR 261.A OG1 GLY 37.A O no hydrogen 3.530 N/A LYS 262.A N GLN 255.A O no hydrogen 2.802 N/A ILE 263.A N VAL 86.A O no hydrogen 2.953 N/A THR 264.A N GLU 253.A O no hydrogen 2.960 N/A VAL 265.A N ASN 88.A O no hydrogen 2.836 N/A ASP 266.A N MET 250.A O no hydrogen 2.943 N/A GLY 268.A N ASP 266.A OD1 no hydrogen 2.995 N/A SER 271.A OG THR 269.A O no hydrogen 3.439 N/A SER 271.A OG PRO 270.A O no hydrogen 2.480 N/A