Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1mml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG THR 1.A O no hydrogen 3.538 N/A ASP 5.A N THR 1.A O no hydrogen 2.684 N/A ALA 9.A N PHE 6.A O no hydrogen 2.948 N/A TRP 10.A NE1 TRP 2.A O no hydrogen 2.974 N/A ALA 11.A N ALA 231.A O no hydrogen 2.857 N/A GLU 12.A N GLU 12.A OE1 no hydrogen 2.895 N/A THR 13.A N TRP 10.A O no hydrogen 3.275 N/A THR 13.A OG1 PRO 7.A O no hydrogen 2.351 N/A THR 13.A OG1 TRP 10.A O no hydrogen 3.520 N/A GLY 14.A N TRP 10.A O no hydrogen 2.754 N/A LEU 18.A N GLY 228.A O no hydrogen 2.868 N/A ALA 19.A N CYS 134.A O no hydrogen 2.764 N/A VAL 20.A N LEU 227.A O no hydrogen 3.024 N/A ARG 21.A NE ASP 183.A OD1 no hydrogen 3.449 N/A GLN 22.A N ALA 19.A O no hydrogen 3.309 N/A GLN 22.A NE2 ASP 183.A OD1 no hydrogen 2.909 N/A GLN 22.A NE2 ASP 183.A OD2 no hydrogen 3.214 N/A LEU 25.A N ARG 136.A O no hydrogen 2.784 N/A ILE 27.A N SER 141.A OG no hydrogen 2.869 N/A LYS 30.A N ARG 98.A O no hydrogen 2.859 N/A LYS 30.A NZ LYS 97.A O no hydrogen 2.572 N/A SER 33.A N LYS 30.A O no hydrogen 3.026 N/A SER 33.A OG ARG 98.A O no hydrogen 2.938 N/A ILE 38.A N ASN 72.A O no hydrogen 2.900 N/A GLN 40.A NE2 TYR 41.A O no hydrogen 2.918 N/A GLN 40.A NE2 LEU 75.A O no hydrogen 3.151 N/A SER 44.A OG GLU 46.A OE2 no hydrogen 2.995 N/A ARG 48.A N SER 44.A O no hydrogen 3.037 N/A LEU 49.A N GLN 45.A O no hydrogen 3.262 N/A GLY 50.A N GLU 46.A O no hydrogen 3.191 N/A ILE 51.A N ALA 47.A O no hydrogen 2.937 N/A LYS 52.A N ARG 48.A O no hydrogen 3.006 N/A HIS 54.A N ILE 51.A O no hydrogen 2.913 N/A ILE 55.A N ILE 51.A O no hydrogen 3.310 N/A GLN 56.A N LYS 52.A O no hydrogen 2.768 N/A GLN 56.A NE2 ASP 60.A OD2 no hydrogen 2.669 N/A ARG 57.A N PRO 53.A O no hydrogen 3.221 N/A LEU 58.A N HIS 54.A O no hydrogen 3.020 N/A LEU 59.A N ILE 55.A O no hydrogen 3.056 N/A ASP 60.A N GLN 56.A O no hydrogen 2.939 N/A GLN 61.A N ARG 57.A O no hydrogen 3.034 N/A GLY 62.A N LEU 59.A O no hydrogen 3.033 N/A ILE 63.A N LEU 58.A O no hydrogen 2.879 N/A LEU 64.A N LEU 58.A O no hydrogen 3.410 N/A VAL 65.A N THR 161.A O no hydrogen 2.832 N/A CYS 67.A N GLN 159.A O no hydrogen 3.081 N/A SER 69.A N GLN 159.A OE1 no hydrogen 2.866 N/A SER 69.A OG TRP 71.A O no hydrogen 3.516 N/A SER 69.A OG PRO 143.A O no hydrogen 2.695 N/A TRP 71.A N SER 69.A OG no hydrogen 3.088 N/A ASN 72.A N VAL 36.A O no hydrogen 2.931 N/A ASN 72.A ND2 ILE 38.A O no hydrogen 3.038 N/A THR 73.A N ALA 146.A O no hydrogen 3.187 N/A LEU 75.A N GLN 40.A OE1 no hydrogen 2.930 N/A LEU 76.A N VAL 89.A O no hydrogen 2.834 N/A VAL 78.A N ARG 87.A O no hydrogen 2.621 N/A LYS 80.A NZ LYS 79.A O no hydrogen 3.153 N/A THR 83.A N GLU 46.A O no hydrogen 2.689 N/A ASP 85.A N ASP 85.A OD1 no hydrogen 2.432 N/A ARG 87.A N VAL 78.A O no hydrogen 3.017 N/A VAL 89.A N LEU 76.A O no hydrogen 2.965 N/A GLN 90.A NE2 THR 73.A OG1 no hydrogen 2.805 N/A GLN 90.A NE2 PHE 145.A O no hydrogen 2.860 N/A ASP 91.A N PRO 74.A O no hydrogen 2.938 N/A ARG 93.A N ASP 91.A OD1 no hydrogen 3.176 N/A ASN 96.A N LEU 92.A O no hydrogen 2.811 N/A ASN 96.A ND2 GLY 168.A O no hydrogen 3.176 N/A LYS 97.A N ARG 93.A O no hydrogen 3.130 N/A LYS 97.A NZ GLU 94.A OE1 no hydrogen 3.178 N/A ARG 98.A N VAL 95.A O no hydrogen 2.909 N/A ARG 98.A NH1 GLU 94.A O no hydrogen 2.804 N/A ARG 98.A NH1 GLU 94.A OE1 no hydrogen 2.743 N/A GLU 100.A N PRO 28.A O no hydrogen 3.054 N/A ASP 101.A N GLU 100.A OE1 no hydrogen 2.914 N/A THR 105.A N GLU 178.A OE2 no hydrogen 2.728 N/A THR 105.A OG1 GLU 178.A OE1 no hydrogen 2.645 N/A VAL 106.A N GLU 178.A OE2 no hydrogen 3.465 N/A TYR 110.A N ASN 108.A OD1 no hydrogen 2.918 N/A ASN 111.A N ASN 108.A OD1 no hydrogen 3.185 N/A LEU 112.A N ASN 108.A O no hydrogen 3.158 N/A LEU 113.A N PRO 109.A O no hydrogen 2.928 N/A SER 114.A N TYR 110.A O no hydrogen 3.116 N/A GLY 115.A N LEU 112.A O no hydrogen 3.042 N/A LEU 116.A N LEU 113.A O no hydrogen 3.449 N/A SER 119.A OG HIS 120.A ND1 no hydrogen 2.961 N/A HIS 120.A N PRO 117.A O no hydrogen 3.203 N/A HIS 120.A ND1 SER 119.A OG no hydrogen 2.961 N/A HIS 120.A NE2 ASP 193.A O no hydrogen 2.923 N/A GLN 121.A NE2 PRO 118.A O no hydrogen 3.334 N/A TRP 122.A N ALA 207.A O no hydrogen 3.091 N/A TYR 123.A N GLN 240.A O no hydrogen 2.754 N/A TYR 123.A OH HIS 120.A O no hydrogen 3.413 N/A THR 124.A N LEU 205.A O no hydrogen 2.958 N/A THR 124.A OG1 THR 217.A OG1 no hydrogen 2.728 N/A VAL 125.A N GLN 237.A O no hydrogen 2.715 N/A LEU 126.A N LEU 203.A O no hydrogen 3.076 N/A LEU 128.A N ASP 201.A O no hydrogen 2.906 N/A LYS 129.A N ARG 230.A O no hydrogen 2.932 N/A LYS 129.A NZ ASP 130.A OD1 no hydrogen 3.137 N/A LYS 129.A NZ ASP 130.A OD2 no hydrogen 2.992 N/A CYS 134.A N ALA 131.A O no hydrogen 3.080 N/A CYS 134.A SG ASP 130.A O no hydrogen 3.951 N/A CYS 134.A SG GLY 228.A O no hydrogen 3.921 N/A LEU 135.A N PHE 132.A O no hydrogen 3.139 N/A ARG 136.A NH2 GLN 22.A O no hydrogen 2.853 N/A LEU 137.A N THR 163.A O no hydrogen 2.917 N/A HIS 138.A N LEU 25.A O no hydrogen 2.667 N/A SER 141.A N HIS 138.A O no hydrogen 2.785 N/A GLN 142.A N HIS 138.A O no hydrogen 3.129 N/A GLN 142.A NE2 LEU 137.A O no hydrogen 3.067 N/A LEU 144.A N SER 141.A O no hydrogen 3.338 N/A PHE 145.A N GLN 142.A O no hydrogen 3.219 N/A ALA 146.A N PRO 143.A O no hydrogen 3.389 N/A PHE 147.A N LEU 160.A O no hydrogen 2.915 N/A TRP 149.A N GLY 158.A O no hydrogen 2.738 N/A ARG 150.A NH1 GLY 158.A O no hydrogen 2.324 N/A ASP 151.A N ILE 156.A O no hydrogen 2.615 N/A MET 154.A N ASP 151.A OD1 no hydrogen 3.398 N/A GLY 155.A N ASP 151.A O no hydrogen 2.761 N/A GLY 155.A N PRO 152.A O no hydrogen 3.002 N/A ILE 156.A N ASP 151.A O no hydrogen 3.168 N/A GLY 158.A N TRP 149.A O no hydrogen 3.162 N/A GLN 159.A NE2 SER 69.A O no hydrogen 3.299 N/A GLN 159.A NE2 TRP 71.A O no hydrogen 2.888 N/A GLN 159.A NE2 ASN 72.A OD1 no hydrogen 3.018 N/A LEU 160.A N PHE 147.A O no hydrogen 2.777 N/A THR 161.A N VAL 65.A O no hydrogen 2.810 N/A THR 161.A OG1 GLN 142.A O no hydrogen 2.563 N/A TRP 162.A NE1 GLN 90.A OE1 no hydrogen 2.760 N/A THR 163.A N ILE 63.A O no hydrogen 2.804 N/A THR 163.A OG1 GLY 62.A O no hydrogen 2.625 N/A THR 163.A OG1 ILE 63.A O no hydrogen 3.357 N/A ARG 164.A NE PHE 133.A O no hydrogen 2.790 N/A ARG 164.A NH1 THR 163.A OG1 no hydrogen 3.395 N/A LEU 165.A N LEU 135.A O no hydrogen 3.070 N/A LYS 170.A N ASN 96.A OD1 no hydrogen 3.006 N/A LYS 170.A NZ ASN 96.A O no hydrogen 2.976 N/A LYS 170.A NZ VAL 99.A O no hydrogen 3.129 N/A LYS 170.A NZ ASP 101.A OD1 no hydrogen 3.479 N/A ASN 171.A ND2 GLU 100.A O no hydrogen 2.846 N/A SER 172.A N PHE 169.A O no hydrogen 3.118 N/A SER 172.A OG PRO 166.A O no hydrogen 2.805 N/A SER 172.A OG PHE 169.A O no hydrogen 3.537 N/A LEU 175.A N ASN 171.A O no hydrogen 2.871 N/A PHE 176.A N SER 172.A O no hydrogen 2.859 N/A ASP 177.A N PRO 173.A O no hydrogen 2.908 N/A GLU 178.A N THR 174.A O no hydrogen 2.896 N/A ALA 179.A N LEU 175.A O no hydrogen 3.148 N/A LEU 180.A N PHE 176.A O no hydrogen 2.953 N/A HIS 181.A N ASP 177.A O no hydrogen 2.943 N/A ARG 182.A N GLU 178.A O no hydrogen 3.222 N/A ARG 182.A NH2 GLN 22.A OE1 no hydrogen 3.302 N/A ASP 183.A N ALA 179.A O no hydrogen 2.935 N/A LEU 184.A N LEU 180.A O no hydrogen 2.900 N/A ALA 185.A N ARG 182.A O no hydrogen 3.272 N/A ARG 188.A N LEU 184.A O no hydrogen 2.986 N/A ARG 188.A NH1 HIS 181.A O no hydrogen 3.080 N/A ARG 188.A NH2 HIS 181.A O no hydrogen 2.925 N/A ILE 189.A N ALA 185.A O no hydrogen 2.964 N/A GLN 190.A N ASP 186.A O no hydrogen 2.988 N/A HIS 191.A N PHE 187.A O no hydrogen 3.059 N/A HIS 191.A N ARG 188.A O no hydrogen 3.412 N/A LEU 194.A N HIS 191.A O no hydrogen 3.102 N/A ILE 195.A N ALA 206.A O no hydrogen 3.079 N/A LEU 197.A N LEU 204.A O no hydrogen 2.653 N/A GLN 198.A NE2 ASP 177.A OD1 no hydrogen 3.239 N/A TYR 199.A N ASP 202.A O no hydrogen 2.865 N/A VAL 200.A N ASP 177.A OD1 no hydrogen 2.821 N/A ASP 202.A N TYR 199.A O no hydrogen 3.081 N/A LEU 203.A N LEU 126.A O no hydrogen 2.837 N/A LEU 204.A N LEU 197.A O no hydrogen 2.765 N/A LEU 205.A N THR 124.A O no hydrogen 2.880 N/A ALA 206.A N ILE 195.A O no hydrogen 2.797 N/A ALA 207.A N TRP 122.A O no hydrogen 2.766 N/A ASP 212.A N SER 209.A OG no hydrogen 3.162 N/A CYS 213.A N SER 209.A O no hydrogen 2.900 N/A CYS 213.A SG THR 124.A OG1 no hydrogen 3.698 N/A GLN 214.A N GLU 210.A O no hydrogen 2.949 N/A GLN 215.A N LEU 211.A O no hydrogen 3.082 N/A GLY 216.A N ASP 212.A O no hydrogen 2.896 N/A THR 217.A N CYS 213.A O no hydrogen 2.794 N/A THR 217.A OG1 THR 124.A OG1 no hydrogen 2.728 N/A THR 217.A OG1 CYS 213.A O no hydrogen 2.792 N/A ARG 218.A N GLN 214.A O no hydrogen 2.982 N/A ALA 219.A N GLN 215.A O no hydrogen 2.941 N/A LEU 220.A N GLY 216.A O no hydrogen 2.872 N/A LEU 221.A N THR 217.A O no hydrogen 2.857 N/A GLN 222.A N ARG 218.A O no hydrogen 2.920 N/A THR 223.A N ALA 219.A O no hydrogen 2.900 N/A THR 223.A OG1 ALA 219.A O no hydrogen 2.839 N/A LEU 224.A N LEU 220.A O no hydrogen 2.808 N/A GLY 225.A N LEU 221.A O no hydrogen 2.978 N/A ASN 226.A N GLN 222.A O no hydrogen 3.140 N/A LEU 227.A N THR 223.A O no hydrogen 2.930 N/A GLY 228.A N LEU 224.A O no hydrogen 3.119 N/A GLY 228.A N GLY 225.A O no hydrogen 3.223 N/A TYR 229.A N LEU 224.A O no hydrogen 3.039 N/A TYR 229.A OH ASP 183.A OD2 no hydrogen 2.755 N/A ARG 230.A NE GLY 14.A O no hydrogen 2.930 N/A ARG 230.A NH1 GLY 225.A O no hydrogen 3.410 N/A ARG 230.A NH1 TYR 229.A O no hydrogen 2.955 N/A ARG 230.A NH2 GLY 14.A O no hydrogen 3.383 N/A ALA 231.A N ALA 9.A O no hydrogen 2.708 N/A SER 232.A N ASP 127.A O no hydrogen 2.879 N/A ALA 233.A N GLU 12.A OE1 no hydrogen 2.842 N/A LYS 234.A N GLU 12.A OE2 no hydrogen 3.188 N/A LYS 235.A N SER 232.A O no hydrogen 3.156 N/A GLN 237.A N VAL 125.A O no hydrogen 2.833 N/A GLN 237.A NE2 LYS 244.A O no hydrogen 3.036 N/A CYS 239.A N THR 124.A OG1 no hydrogen 2.957 N/A GLN 240.A N TYR 123.A O no hydrogen 2.789 N/A LYS 241.A NZ GLN 121.A OE1 no hydrogen 3.048 N/A VAL 243.A N LEU 250.A O no hydrogen 3.068 N/A LYS 244.A N GLN 237.A OE1 no hydrogen 3.046 N/A TYR 245.A N TYR 248.A O no hydrogen 2.801 N/A TYR 245.A OH ASP 202.A O no hydrogen 3.277 N/A TYR 248.A N TYR 245.A O no hydrogen 2.900 N/A LEU 250.A N VAL 243.A O no hydrogen 2.782 N/A LYS 251.A NZ GLN 242.A OE1 no hydrogen 2.505 N/A