Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rig_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 7.A N ARG 244.A O no hydrogen 3.004 N/A SER 9.A N SER 7.A OG no hydrogen 2.796 N/A ASP 12.A N SER 9.A OG no hydrogen 3.021 N/A PHE 13.A N SER 9.A O no hydrogen 3.024 N/A ARG 14.A N MET 10.A O no hydrogen 2.770 N/A ARG 14.A NH1 ALA 258.A O no hydrogen 2.894 N/A ARG 14.A NH1 ALA 260.A O no hydrogen 2.658 N/A ARG 14.A NH2 ALA 260.A O no hydrogen 3.038 N/A LYS 15.A N ALA 11.A O no hydrogen 2.964 N/A PHE 16.A N ASP 12.A O no hydrogen 3.382 N/A PHE 17.A N PHE 13.A O no hydrogen 3.004 N/A ALA 18.A N ARG 14.A O no hydrogen 2.882 N/A LYS 19.A N PHE 16.A O no hydrogen 2.999 N/A ALA 20.A N PHE 16.A O no hydrogen 2.979 N/A LYS 21.A N ASP 201.A OD2 no hydrogen 2.803 N/A HIS 22.A N ASP 201.A OD1 no hydrogen 2.893 N/A ILE 23.A N ARG 92.A O no hydrogen 2.737 N/A VAL 24.A N LEU 202.A O no hydrogen 2.933 N/A ILE 25.A N VAL 94.A O no hydrogen 2.716 N/A ILE 26.A N LEU 204.A O no hydrogen 2.796 N/A SER 27.A N ILE 96.A O no hydrogen 3.042 N/A SER 27.A OG THR 97.A OG1 no hydrogen 3.061 N/A SER 27.A OG HIS 104.A NE2 no hydrogen 2.778 N/A GLY 28.A N VAL 206.A O no hydrogen 2.926 N/A GLY 30.A N GLY 207.A O no hydrogen 3.185 N/A TYR 34.A OH GLN 39.A OE1 no hydrogen 2.754 N/A TRP 35.A N TRP 38.A O no hydrogen 3.072 N/A TRP 35.A NE1 GLY 146.A O no hydrogen 2.858 N/A ARG 36.A N PRO 148.A O no hydrogen 2.755 N/A ARG 36.A NE ALA 147.A O no hydrogen 2.900 N/A ARG 36.A NH1 GLU 58.A OE1 no hydrogen 3.180 N/A ARG 36.A NH2 GLU 58.A OE2 no hydrogen 2.939 N/A ARG 36.A NH2 ALA 147.A O no hydrogen 3.156 N/A TRP 38.A N TRP 35.A O no hydrogen 3.035 N/A ALA 40.A N GLY 33.A O no hydrogen 2.741 N/A ASP 42.A N GLN 39.A O no hydrogen 2.956 N/A LEU 43.A N ALA 40.A O no hydrogen 2.994 N/A ALA 44.A N ALA 40.A O no hydrogen 3.078 N/A ALA 48.A N THR 45.A OG1 no hydrogen 3.259 N/A PHE 49.A N THR 45.A O no hydrogen 3.162 N/A ALA 50.A N PRO 46.A O no hydrogen 2.795 N/A HIS 51.A N LEU 47.A O no hydrogen 3.218 N/A ASN 52.A N ALA 48.A O no hydrogen 2.861 N/A ARG 55.A NE ASP 154.A OD1 no hydrogen 3.427 N/A ARG 55.A NH2 ASP 154.A OD2 no hydrogen 3.088 N/A VAL 56.A N ASN 52.A O no hydrogen 3.253 N/A TRP 57.A N PRO 53.A O no hydrogen 2.876 N/A TRP 57.A NE1 LEU 174.A O no hydrogen 2.840 N/A GLU 58.A N SER 54.A O no hydrogen 2.811 N/A PHE 59.A N ARG 55.A O no hydrogen 2.982 N/A TYR 60.A N VAL 56.A O no hydrogen 2.869 N/A HIS 61.A N TRP 57.A O no hydrogen 2.728 N/A TYR 62.A N GLU 58.A O no hydrogen 2.953 N/A ARG 63.A N PHE 59.A O no hydrogen 2.954 N/A ARG 64.A N TYR 60.A O no hydrogen 2.801 N/A ARG 64.A NH1 LEU 119.A O no hydrogen 2.930 N/A ARG 64.A NH1 ASN 133.A O no hydrogen 2.739 N/A ARG 64.A NH2 ASN 133.A O no hydrogen 3.386 N/A ARG 64.A NH2 ASN 133.A OD1 no hydrogen 2.946 N/A ARG 64.A NH2 LYS 135.A O no hydrogen 2.830 N/A GLU 65.A N HIS 61.A O no hydrogen 2.870 N/A VAL 66.A N TYR 62.A O no hydrogen 2.790 N/A MET 67.A N ARG 63.A O no hydrogen 2.838 N/A GLY 68.A N ARG 64.A O no hydrogen 2.766 N/A SER 69.A OG GLU 65.A O no hydrogen 3.557 N/A SER 69.A OG VAL 66.A O no hydrogen 2.618 N/A LYS 70.A N MET 67.A O no hydrogen 2.965 N/A ASN 73.A N HIS 76.A ND1 no hydrogen 3.002 N/A GLY 75.A N ASN 73.A OD1 no hydrogen 2.734 N/A HIS 76.A N ASN 73.A OD1 no hydrogen 3.214 N/A ARG 77.A N ASN 73.A O no hydrogen 3.065 N/A ALA 78.A N ALA 74.A O no hydrogen 3.048 N/A ILE 79.A N GLY 75.A O no hydrogen 3.044 N/A ALA 80.A N HIS 76.A O no hydrogen 2.895 N/A GLU 81.A N ARG 77.A O no hydrogen 2.767 N/A CYS 82.A N ALA 78.A O no hydrogen 2.889 N/A GLU 83.A N ILE 79.A O no hydrogen 3.109 N/A THR 84.A N ALA 80.A O no hydrogen 3.123 N/A THR 84.A OG1 ALA 80.A O no hydrogen 3.389 N/A ARG 85.A N GLU 81.A O no hydrogen 2.945 N/A ARG 85.A NH1 GLU 81.A OE1.B no hydrogen 3.274 N/A ARG 85.A NH1 GLU 81.A OE2.B no hydrogen 3.459 N/A ARG 85.A NH2 LEU 259.A O no hydrogen 2.544 N/A LEU 86.A N CYS 82.A O no hydrogen 2.864 N/A GLY 87.A N GLU 83.A O no hydrogen 2.802 N/A LYS 88.A N THR 84.A O no hydrogen 3.163 N/A GLN 89.A N LEU 86.A O no hydrogen 2.793 N/A GLY 90.A N GLY 87.A O no hydrogen 2.991 N/A ARG 91.A N LEU 86.A O no hydrogen 2.934 N/A ARG 91.A NE ALA 20.A O no hydrogen 2.948 N/A ARG 91.A NH1 GLN 89.A OE1 no hydrogen 3.202 N/A ARG 91.A NH2 PHE 17.A O no hydrogen 2.673 N/A ARG 91.A NH2 ALA 20.A O no hydrogen 2.902 N/A ARG 92.A N LYS 21.A O no hydrogen 2.797 N/A ARG 92.A NE HIS 22.A NE2 no hydrogen 3.490 N/A ARG 92.A NE GLU 196.A OE1 no hydrogen 3.106 N/A ARG 92.A NH2 GLU 196.A OE2 no hydrogen 2.743 N/A VAL 94.A N ILE 23.A O no hydrogen 2.891 N/A VAL 95.A N ASN 111.A O no hydrogen 2.906 N/A ILE 96.A N ILE 25.A O no hydrogen 2.714 N/A THR 97.A N LEU 113.A O no hydrogen 2.796 N/A THR 97.A OG1 SER 27.A OG no hydrogen 3.061 N/A GLN 98.A N SER 27.A O no hydrogen 2.952 N/A ASN 99.A N THR 97.A OG1 no hydrogen 2.857 N/A ASN 99.A ND2 ASP 101.A OD2 no hydrogen 3.357 N/A LEU 103.A N ASP 101.A OD1 no hydrogen 2.875 N/A HIS 104.A NE2 SER 27.A OG no hydrogen 2.778 N/A ARG 105.A NH2 GLU 114.A OE1 no hydrogen 3.290 N/A LYS 106.A N GLU 102.A O no hydrogen 2.974 N/A ALA 107.A N LEU 103.A O no hydrogen 2.878 N/A GLY 108.A N ARG 105.A O no hydrogen 2.983 N/A THR 109.A N HIS 104.A O no hydrogen 3.063 N/A THR 109.A OG1 HIS 104.A O no hydrogen 3.399 N/A LYS 110.A N GLU 83.A OE1 no hydrogen 3.024 N/A LYS 110.A N GLU 83.A OE2 no hydrogen 3.169 N/A ASN 111.A N GLU 83.A OE2 no hydrogen 2.497 N/A ASN 111.A ND2 VAL 93.A O no hydrogen 3.028 N/A LEU 113.A N VAL 95.A O no hydrogen 2.817 N/A ILE 115.A N THR 97.A O no hydrogen 3.060 N/A HIS 116.A ND1 GLN 98.A O no hydrogen 2.859 N/A SER 118.A N HIS 177.A O no hydrogen 2.890 N/A SER 118.A OG GLU 102.A OE1 no hydrogen 2.474 N/A LEU 119.A N ILE 100.A O no hydrogen 2.947 N/A PHE 120.A N SER 118.A OG no hydrogen 2.906 N/A LYS 121.A N SER 118.A O no hydrogen 3.312 N/A THR 122.A N ALA 131.A O no hydrogen 2.893 N/A ARG 123.A N ARG 175.A O no hydrogen 2.879 N/A ARG 123.A NH1 HIS 177.A ND1 no hydrogen 2.755 N/A CYS 124.A N VAL 129.A O no hydrogen 2.965 N/A THR 125.A N LEU 173.A O no hydrogen 2.992 N/A THR 125.A OG1 LEU 173.A O no hydrogen 2.694 N/A GLY 128.A N CYS 124.A O no hydrogen 2.942 N/A ALA 131.A N THR 122.A O no hydrogen 3.117 N/A ASN 133.A N PHE 120.A O no hydrogen 2.699 N/A TYR 134.A OH GLU 102.A OE2 no hydrogen 2.582 N/A LYS 135.A N ASN 133.A OD1 no hydrogen 2.836 N/A SER 136.A OG GLU 65.A OE1 no hydrogen 3.094 N/A CYS 139.A SG LYS 161.A O no hydrogen 3.466 N/A LEU 142.A N CYS 139.A O no hydrogen 3.258 N/A SER 143.A N PRO 140.A O no hydrogen 3.008 N/A LYS 145.A N LEU 142.A O no hydrogen 2.909 N/A GLY 146.A N GLU 58.A OE2 no hydrogen 2.945 N/A GLU 149.A N GLU 149.A OE1 no hydrogen 2.584 N/A THR 152.A N GLU 149.A O no hydrogen 3.018 N/A THR 152.A OG1 GLU 149.A O no hydrogen 2.859 N/A ALA 155.A N GLU 58.A OE1 no hydrogen 2.614 N/A ILE 157.A N SER 54.A OG no hydrogen 2.806 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.652 N/A LYS 161.A N PRO 158.A O no hydrogen 2.791 N/A LEU 162.A N VAL 159.A O no hydrogen 3.094 N/A ARG 164.A NE GLY 171.A O no hydrogen 3.065 N/A ARG 164.A NH1 VAL 159.A O no hydrogen 2.861 N/A ARG 164.A NH2 GLY 171.A O no hydrogen 3.157 N/A CYS 165.A N GLY 172.A O no hydrogen 2.678 N/A CYS 170.A N GLU 167.A O no hydrogen 2.998 N/A LEU 174.A N PRO 163.A O no hydrogen 2.829 N/A ARG 175.A N ARG 123.A O no hydrogen 2.943 N/A ARG 175.A NE PRO 176.A O no hydrogen 3.043 N/A ARG 175.A NH1 VAL 178.A O no hydrogen 2.600 N/A ARG 175.A NH1 GLU 183.A OE1 no hydrogen 3.513 N/A ARG 175.A NH1 GLU 183.A OE2 no hydrogen 2.893 N/A ARG 175.A NH2 GLU 183.A OE1 no hydrogen 2.708 N/A HIS 177.A N LYS 121.A O no hydrogen 2.929 N/A VAL 179.A N HIS 116.A O no hydrogen 2.987 N/A TRP 180.A N GLU 183.A OE2 no hydrogen 2.973 N/A TRP 180.A NE1 TYR 60.A OH no hydrogen 3.007 N/A PHE 181.A N ALA 44.A O no hydrogen 2.971 N/A GLU 183.A N TRP 180.A O no hydrogen 2.971 N/A ALA 188.A N ASP 186.A OD2 no hydrogen 2.880 N/A LEU 190.A N ASP 186.A O no hydrogen 2.968 N/A GLU 191.A N PRO 187.A O no hydrogen 2.965 N/A GLU 192.A N ALA 188.A O no hydrogen 3.062 N/A VAL 193.A N ILE 189.A O no hydrogen 2.950 N/A ASP 194.A N LEU 190.A O no hydrogen 2.868 N/A ARG 195.A N GLU 191.A O no hydrogen 3.132 N/A GLU 196.A N GLU 192.A O no hydrogen 3.028 N/A LEU 197.A N VAL 193.A O no hydrogen 2.807 N/A ALA 198.A N ASP 194.A O no hydrogen 2.878 N/A HIS 199.A N ARG 195.A O no hydrogen 3.222 N/A HIS 199.A N GLU 196.A O no hydrogen 3.296 N/A CYS 200.A SG LEU 197.A O no hydrogen 3.810 N/A CYS 200.A SG LEU 202.A O no hydrogen 3.794 N/A ASP 201.A N HIS 22.A O no hydrogen 2.841 N/A LEU 202.A N HIS 22.A O no hydrogen 3.399 N/A CYS 203.A N PRO 228.A O no hydrogen 3.171 N/A CYS 203.A SG VAL 24.A O no hydrogen 3.761 N/A LEU 204.A N VAL 24.A O no hydrogen 2.803 N/A VAL 205.A N ALA 230.A O no hydrogen 2.724 N/A VAL 206.A N ILE 26.A O no hydrogen 2.695 N/A GLY 207.A N PHE 232.A O no hydrogen 3.049 N/A THR 208.A OG1 GLU 231.A OE2 no hydrogen 3.478 N/A SER 209.A OG ILE 26.A O no hydrogen 3.476 N/A SER 209.A OG VAL 206.A O no hydrogen 2.754 N/A ALA 216.A N VAL 212.A O no hydrogen 2.818 N/A MET 217.A N PRO 214.A O no hydrogen 2.830 N/A PHE 218.A N ALA 215.A O no hydrogen 2.989 N/A GLN 221.A N MET 217.A O no hydrogen 3.038 N/A VAL 222.A N PHE 218.A O no hydrogen 3.278 N/A ALA 223.A N ALA 219.A O no hydrogen 2.943 N/A ALA 224.A N PRO 220.A O no hydrogen 2.818 N/A ARG 225.A N GLN 221.A O no hydrogen 3.307 N/A ARG 225.A N VAL 222.A O no hydrogen 3.267 N/A ARG 225.A NH1 LEU 197.A O no hydrogen 2.829 N/A ARG 225.A NH1 CYS 200.A O no hydrogen 2.868 N/A GLY 226.A N ALA 223.A O no hydrogen 2.627 N/A VAL 227.A N VAL 222.A O no hydrogen 3.236 N/A ALA 230.A N CYS 203.A O no hydrogen 2.940 N/A GLU 231.A N PHE 245.A O no hydrogen 2.937 N/A PHE 232.A N VAL 205.A O no hydrogen 2.768 N/A ASN 233.A N PHE 247.A O no hydrogen 3.355 N/A ASN 233.A ND2 PHE 232.A O no hydrogen 3.655 N/A THR 237.A N THR 240.A OG1 no hydrogen 2.787 N/A THR 237.A OG1 GLU 231.A OE2 no hydrogen 2.654 N/A THR 237.A OG1 THR 240.A OG1 no hydrogen 3.371 N/A THR 240.A N THR 237.A O no hydrogen 3.162 N/A THR 240.A OG1 GLU 231.A OE1 no hydrogen 2.691 N/A THR 240.A OG1 GLU 231.A OE2 no hydrogen 3.549 N/A THR 240.A OG1 THR 237.A O no hydrogen 3.332 N/A THR 240.A OG1 THR 237.A OG1 no hydrogen 3.371 N/A ARG 242.A N ALA 239.A O no hydrogen 2.806 N/A PHE 243.A N THR 240.A O no hydrogen 2.751 N/A ARG 244.A NH2 GLY 226.A O no hydrogen 2.971 N/A PHE 245.A N VAL 229.A O no hydrogen 2.923 N/A HIS 246.A N SER 7.A O no hydrogen 2.872 N/A PHE 247.A N GLU 231.A O no hydrogen 2.997 N/A THR 253.A N PRO 250.A O no hydrogen 2.997 N/A THR 254.A N PRO 250.A O no hydrogen 3.374 N/A THR 254.A OG1 PRO 250.A O no hydrogen 3.491 N/A ALA 258.A N THR 254.A O no hydrogen 2.864 N/A LEU 259.A N LEU 255.A O no hydrogen 2.877 N/A ALA 260.A N GLU 257.A O no hydrogen 3.492 N/A