Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gdc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N ASP 194.A OD2 no hydrogen 2.693 N/A SER 3.A OG ASP 194.A OD2 no hydrogen 2.647 N/A ARG 8.A NE GLU 47.A OE1 no hydrogen 3.046 N/A ARG 8.A NE GLU 47.A OE2 no hydrogen 3.412 N/A ARG 8.A NH2 GLU 47.A OE2 no hydrogen 2.767 N/A ALA 9.A N LEU 5.A O no hydrogen 2.753 N/A GLY 10.A N ALA 6.A O no hydrogen 2.906 N/A THR 14.A OG1 HIS 191.A NE2 no hydrogen 2.618 N/A ALA 15.A N ASP 12.A OD1 no hydrogen 3.286 N/A ILE 16.A N ASP 12.A O no hydrogen 3.011 N/A LEU 17.A N PRO 13.A O no hydrogen 2.899 N/A ARG 18.A N ALA 15.A O no hydrogen 3.200 N/A ARG 18.A NE ASP 163.A OD1 no hydrogen 2.991 N/A ARG 18.A NH2 ASP 163.A OD2 no hydrogen 3.015 N/A ASP 19.A N ILE 16.A O no hydrogen 3.290 N/A ASP 21.A N THR 67.A O no hydrogen 2.777 N/A GLY 23.A N ASP 21.A OD1 no hydrogen 2.966 N/A ARG 24.A N GLU 36.A O no hydrogen 2.942 N/A ARG 24.A NH1 ASP 38.A OD2 no hydrogen 2.996 N/A ARG 24.A NH2 ASP 38.A OD1 no hydrogen 3.072 N/A SER 26.A N LEU 34.A O no hydrogen 2.992 N/A LEU 28.A N ARG 32.A O no hydrogen 2.824 N/A GLY 31.A N LEU 28.A O no hydrogen 3.139 N/A ARG 32.A N ASP 30.A OD1 no hydrogen 3.077 N/A ARG 32.A NE ASP 30.A OD2 no hydrogen 3.160 N/A ARG 32.A NH1 GLY 73.A O no hydrogen 2.827 N/A ARG 32.A NH1 ASP 122.A OD1 no hydrogen 2.992 N/A LEU 34.A N SER 26.A O no hydrogen 2.752 N/A ARG 35.A N ALA 75.A O no hydrogen 2.805 N/A ARG 35.A NE ASP 74.A OD2 no hydrogen 2.865 N/A ARG 35.A NH1 ARG 22.A O no hydrogen 2.754 N/A ARG 35.A NH2 ASP 74.A OD2 no hydrogen 2.995 N/A GLU 36.A N ARG 24.A O no hydrogen 2.867 N/A TRP 37.A N ARG 77.A O no hydrogen 2.974 N/A TRP 37.A NE1 ASP 21.A O no hydrogen 2.925 N/A ILE 39.A N HIS 79.A O no hydrogen 2.942 N/A VAL 40.A N ASN 60.A OD1 no hydrogen 2.856 N/A ALA 41.A N THR 81.A O no hydrogen 2.897 N/A VAL 42.A N SER 58.A O no hydrogen 2.752 N/A LYS 44.A N GLY 56.A O no hydrogen 3.032 N/A LYS 44.A NZ GLY 61.A O no hydrogen 2.796 N/A PHE 46.A N PHE 54.A O no hydrogen 2.892 N/A GLU 47.A N ALA 9.A O no hydrogen 3.174 N/A ILE 48.A N ILE 52.A O no hydrogen 3.147 N/A GLY 51.A N GLU 47.A OE2 no hydrogen 2.746 N/A ILE 52.A N ALA 49.A O no hydrogen 2.795 N/A PHE 54.A N PHE 46.A O no hydrogen 2.718 N/A LYS 55.A NZ ASP 45.A OD1 no hydrogen 3.045 N/A LYS 55.A NZ ASP 45.A OD2 no hydrogen 3.467 N/A GLY 56.A N LYS 44.A O no hydrogen 2.829 N/A TRP 57.A N LYS 144.A O no hydrogen 2.873 N/A SER 58.A N VAL 42.A O no hydrogen 2.950 N/A SER 58.A OG VAL 42.A O no hydrogen 3.133 N/A TYR 59.A OH THR 89.A O no hydrogen 2.761 N/A ASN 60.A N VAL 40.A O no hydrogen 2.757 N/A ASN 60.A ND2 ASP 38.A O no hydrogen 3.324 N/A ARG 62.A NH1 GLY 65.A O no hydrogen 2.891 N/A GLY 65.A N TYR 147.A O no hydrogen 2.690 N/A LEU 68.A N GLY 149.A O no hydrogen 2.917 N/A TRP 69.A N ASP 21.A O no hydrogen 2.961 N/A ALA 70.A N ILE 151.A O no hydrogen 2.852 N/A ARG 71.A N ASP 74.A OD2 no hydrogen 2.930 N/A GLU 72.A N GLU 153.A O no hydrogen 2.792 N/A GLY 73.A N ALA 123.A O no hydrogen 2.878 N/A ASP 74.A N ARG 71.A O no hydrogen 2.962 N/A ALA 75.A N THR 33.A O no hydrogen 2.924 N/A LEU 76.A N PHE 121.A O no hydrogen 2.775 N/A ARG 77.A N ARG 35.A O no hydrogen 2.995 N/A ILE 78.A N TYR 119.A O no hydrogen 2.787 N/A HIS 79.A N TRP 37.A O no hydrogen 2.812 N/A HIS 79.A ND1 THR 118.A OG1 no hydrogen 3.006 N/A HIS 79.A NE2 GLU 36.A OE1 no hydrogen 2.842 N/A PHE 80.A N PHE 117.A O no hydrogen 2.838 N/A THR 81.A N ILE 39.A O no hydrogen 2.922 N/A THR 81.A OG1 SER 116.A OG no hydrogen 2.762 N/A ASN 82.A N GLN 115.A O no hydrogen 2.924 N/A ASN 82.A ND2 HIS 86.A O no hydrogen 2.716 N/A ASN 82.A ND2 ILE 111.A O no hydrogen 2.936 N/A ALA 83.A N ALA 41.A O no hydrogen 2.877 N/A GLY 84.A N ASN 82.A OD1 no hydrogen 2.838 N/A ALA 85.A N ASP 43.A OD2 no hydrogen 3.056 N/A HIS 88.A N ILE 111.A O no hydrogen 3.036 N/A THR 89.A OG1 GLY 102.A O no hydrogen 2.801 N/A ILE 90.A N TYR 119.A OH no hydrogen 2.999 N/A HIS 91.A N HIS 132.A O no hydrogen 2.723 N/A HIS 91.A ND1 ASP 101.A O no hydrogen 2.660 N/A HIS 93.A N LEU 130.A O no hydrogen 2.803 N/A VAL 95.A N THR 124.A O no hydrogen 3.022 N/A HIS 96.A NE2 ASP 101.A OD1 no hydrogen 2.668 N/A MET 100.A N ARG 97.A O no hydrogen 2.960 N/A ASP 101.A N ALA 98.A O no hydrogen 3.319 N/A THR 103.A OG1 ASP 101.A OD2 no hydrogen 2.660 N/A ILE 106.A N THR 103.A O no hydrogen 3.059 N/A GLY 109.A N ILE 106.A O no hydrogen 3.052 N/A ILE 111.A N HIS 88.A O no hydrogen 2.889 N/A GLY 114.A N ASN 82.A O no hydrogen 2.671 N/A GLN 115.A N ALA 112.A O no hydrogen 2.931 N/A SER 116.A OG THR 81.A OG1 no hydrogen 2.762 N/A PHE 117.A N PHE 80.A O no hydrogen 2.850 N/A THR 118.A OG1 HIS 79.A ND1 no hydrogen 3.006 N/A TYR 119.A N ILE 78.A O no hydrogen 2.877 N/A PHE 121.A N LEU 76.A O no hydrogen 3.248 N/A ALA 123.A N ASP 74.A O no hydrogen 2.831 N/A GLY 127.A N VAL 152.A O no hydrogen 2.893 N/A THR 128.A N THR 233.A O no hydrogen 2.801 N/A THR 128.A OG1 HIS 208.A ND1 no hydrogen 2.780 N/A HIS 129.A N PHE 150.A O no hydrogen 2.719 N/A HIS 129.A NE2 PRO 125.A O no hydrogen 2.892 N/A TYR 131.A N GLY 148.A O no hydrogen 2.905 N/A TYR 131.A OH PRO 66.A O no hydrogen 2.658 N/A HIS 132.A N HIS 91.A O no hydrogen 2.905 N/A HIS 132.A ND1 CYS 133.A O no hydrogen 2.957 N/A CYS 133.A N LEU 146.A O no hydrogen 3.110 N/A CYS 133.A SG HIS 88.A ND1 no hydrogen 3.890 N/A CYS 133.A SG THR 89.A O no hydrogen 3.765 N/A CYS 133.A SG HIS 141.A ND1 no hydrogen 3.793 N/A HIS 134.A N THR 89.A OG1 no hydrogen 2.878 N/A HIS 134.A ND1 HIS 134.A O no hydrogen 2.696 N/A GLN 135.A NE2 SER 110.A OG no hydrogen 2.672 N/A ILE 142.A N LEU 138.A O no hydrogen 3.199 N/A ALA 143.A N ALA 139.A O no hydrogen 2.780 N/A LYS 144.A N PRO 140.A O no hydrogen 2.805 N/A LYS 144.A NZ LYS 55.A O no hydrogen 2.713 N/A GLY 145.A N ILE 142.A O no hydrogen 3.072 N/A TYR 147.A N GLY 145.A O no hydrogen 2.957 N/A GLY 148.A N TYR 131.A O no hydrogen 2.970 N/A PHE 150.A N HIS 129.A O no hydrogen 2.987 N/A ILE 151.A N LEU 68.A O no hydrogen 2.720 N/A VAL 152.A N GLY 127.A O no hydrogen 2.923 N/A GLU 153.A N ALA 70.A O no hydrogen 2.877 N/A LYS 155.A N GLU 72.A OE1 no hydrogen 2.962 N/A ASP 162.A N LEU 204.A O no hydrogen 2.843 N/A ASP 163.A N LEU 204.A O no hydrogen 3.137 N/A MET 165.A N ARG 206.A O no hydrogen 2.870 N/A VAL 166.A N LEU 17.A O no hydrogen 2.810 N/A MET 167.A N HIS 208.A O no hydrogen 2.849 N/A VAL 168.A N ASN 186.A OD1 no hydrogen 2.770 N/A MET 169.A N ILE 210.A O no hydrogen 2.874 N/A ASN 170.A N SER 184.A O no hydrogen 3.031 N/A ASN 170.A ND2 TYR 147.A OH no hydrogen 2.785 N/A ASN 170.A ND2 TYR 172.A OH no hydrogen 3.111 N/A TYR 172.A N PHE 182.A O no hydrogen 2.787 N/A TYR 172.A OH GLY 187.A O no hydrogen 2.594 N/A ASN 173.A ND2 GLY 177.A O no hydrogen 3.017 N/A THR 174.A N GLU 181.A OE1 no hydrogen 2.780 N/A THR 174.A OG1 GLU 181.A OE1 no hydrogen 3.459 N/A ASP 175.A N GLU 181.A OE1 no hydrogen 3.311 N/A GLU 181.A N TYR 172.A O no hydrogen 2.820 N/A PHE 182.A N TYR 172.A O no hydrogen 3.261 N/A TYR 183.A N LEU 278.A O no hydrogen 2.935 N/A TYR 183.A OH ASP 216.A OD2 no hydrogen 2.751 N/A SER 184.A N ASN 170.A O no hydrogen 3.127 N/A SER 184.A OG ASN 170.A OD1 no hydrogen 2.566 N/A ASN 186.A N VAL 168.A O no hydrogen 2.780 N/A ASN 186.A ND2 VAL 166.A O no hydrogen 2.765 N/A GLY 187.A N SER 184.A OG no hydrogen 2.952 N/A PHE 190.A N GLY 279.A O no hydrogen 2.891 N/A HIS 191.A N LEU 188.A O no hydrogen 3.169 N/A HIS 191.A NE2 THR 14.A OG1 no hydrogen 2.618 N/A MET 193.A N PHE 190.A O no hydrogen 2.999 N/A ASP 194.A N HIS 191.A O no hydrogen 3.122 N/A PHE 195.A N HIS 191.A O no hydrogen 2.852 N/A VAL 197.A N PHE 283.A O no hydrogen 2.836 N/A VAL 199.A N GLU 285.A O no hydrogen 3.078 N/A GLN 201.A N SER 287.A O no hydrogen 2.861 N/A GLN 201.A NE2 PRO 261.A O no hydrogen 2.759 N/A HIS 202.A N PHE 260.A O no hydrogen 2.835 N/A GLU 203.A N LYS 200.A O no hydrogen 3.182 N/A LEU 204.A N ASP 162.A OD2 no hydrogen 2.838 N/A VAL 205.A N LEU 258.A O no hydrogen 2.779 N/A ARG 206.A N ASP 163.A O no hydrogen 2.954 N/A ARG 206.A NE GLU 257.A OE2 no hydrogen 2.772 N/A ARG 206.A NH1 PRO 159.A O no hydrogen 2.938 N/A ARG 206.A NH2 PRO 159.A O no hydrogen 2.692 N/A ARG 206.A NH2 GLU 257.A OE2 no hydrogen 2.933 N/A ILE 207.A N LEU 256.A O no hydrogen 2.794 N/A HIS 208.A N MET 165.A O no hydrogen 2.800 N/A HIS 208.A ND1 THR 128.A OG1 no hydrogen 2.780 N/A HIS 208.A NE2 GLU 164.A OE2 no hydrogen 2.748 N/A LEU 209.A N GLY 254.A O no hydrogen 2.857 N/A ILE 210.A N MET 167.A O no hydrogen 2.878 N/A ASN 211.A N GLN 252.A O no hydrogen 3.127 N/A VAL 212.A N MET 169.A O no hydrogen 2.995 N/A LEU 213.A N ASN 211.A OD1 no hydrogen 3.167 N/A TYR 215.A N GLU 214.A OE2 no hydrogen 2.785 N/A ASP 216.A N GLU 214.A O no hydrogen 2.907 N/A ASN 219.A N GLN 248.A O no hydrogen 2.834 N/A ASN 219.A ND2 ASN 211.A OD1 no hydrogen 3.226 N/A SER 220.A N ASN 219.A OD1 no hydrogen 2.867 N/A PHE 221.A N ILE 246.A O no hydrogen 2.927 N/A HIS 222.A N HIS 269.A O no hydrogen 2.823 N/A HIS 222.A ND1 ASP 244.A O no hydrogen 2.766 N/A ILE 223.A N ASP 244.A O no hydrogen 3.217 N/A HIS 224.A N MET 267.A O no hydrogen 2.805 N/A HIS 224.A NE2 HIS 269.A NE2 no hydrogen 3.175 N/A ASN 226.A ND2 HIS 224.A O no hydrogen 2.883 N/A PHE 228.A N THR 243.A O no hydrogen 2.769 N/A HIS 229.A N GLU 257.A O no hydrogen 2.912 N/A TYR 230.A N GLU 241.A O no hydrogen 2.950 N/A TYR 231.A N ILE 255.A O no hydrogen 2.807 N/A THR 233.A N ARG 253.A O no hydrogen 2.677 N/A GLY 234.A N TYR 231.A O no hydrogen 2.945 N/A THR 235.A OG1 PRO 232.A O no hydrogen 3.560 N/A SER 240.A N TYR 230.A O no hydrogen 2.817 N/A SER 240.A OG TYR 230.A O no hydrogen 3.366 N/A THR 243.A N PHE 228.A O no hydrogen 2.956 N/A THR 243.A OG1 THR 245.A O no hydrogen 3.439 N/A THR 245.A OG1 HIS 222.A ND1 no hydrogen 3.021 N/A THR 245.A OG1 ASP 244.A OD1 no hydrogen 3.000 N/A ILE 246.A N PHE 221.A O no hydrogen 2.967 N/A GLN 248.A N ASN 219.A O no hydrogen 2.933 N/A GLN 248.A NE2 LEU 209.A O no hydrogen 3.210 N/A GLN 248.A NE2 TYR 230.A OH no hydrogen 3.007 N/A GLN 250.A NE2 VAL 212.A O no hydrogen 3.018 N/A GLN 250.A NE2 GLU 214.A OE1 no hydrogen 3.270 N/A GLY 251.A N ASN 211.A O no hydrogen 3.054 N/A GLN 252.A N VAL 249.A O no hydrogen 3.045 N/A ARG 253.A NE THR 128.A O no hydrogen 2.798 N/A ARG 253.A NH1 GLY 251.A O no hydrogen 2.796 N/A ARG 253.A NH2 HIS 129.A ND1 no hydrogen 3.074 N/A GLY 254.A N LEU 209.A O no hydrogen 2.954 N/A ILE 255.A N TYR 231.A O no hydrogen 2.931 N/A LEU 256.A N ILE 207.A O no hydrogen 2.824 N/A GLU 257.A N HIS 229.A O no hydrogen 2.921 N/A LEU 258.A N VAL 205.A O no hydrogen 2.979 N/A ARG 259.A NH1 HIS 202.A O no hydrogen 2.880 N/A GLY 264.A N VAL 286.A O no hydrogen 2.849 N/A PHE 266.A N PHE 284.A O no hydrogen 2.873 N/A PHE 268.A N GLY 282.A O no hydrogen 2.847 N/A HIS 269.A N HIS 222.A O no hydrogen 2.977 N/A HIS 269.A ND1 ALA 270.A O no hydrogen 2.606 N/A HIS 269.A NE2 HIS 224.A NE2 no hydrogen 3.175 N/A ALA 270.A N TRP 280.A O no hydrogen 3.322 N/A HIS 271.A N SER 220.A OG no hydrogen 2.842 N/A HIS 271.A ND1 HIS 271.A O no hydrogen 2.718 N/A PHE 275.A N LYS 272.A O no hydrogen 2.950 N/A ALA 276.A N LYS 272.A O no hydrogen 3.286 N/A GLU 277.A N THR 273.A O no hydrogen 3.030 N/A LEU 278.A N PHE 275.A O no hydrogen 3.176 N/A GLY 279.A N ALA 276.A O no hydrogen 3.250 N/A TRP 280.A N PHE 275.A O no hydrogen 3.094 N/A GLY 282.A N PHE 268.A O no hydrogen 2.821 N/A PHE 283.A N PHE 192.A O no hydrogen 2.928 N/A PHE 284.A N PHE 266.A O no hydrogen 2.766 N/A GLU 285.A N VAL 197.A O no hydrogen 2.838 N/A VAL 286.A N GLY 264.A O no hydrogen 2.797 N/A SER 287.A N VAL 199.A O no hydrogen 2.982 N/A SER 287.A OG VAL 199.A O no hydrogen 3.327 N/A