Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1i00_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N SER 1.A O no hydrogen 3.268 N/A TYR 5.A OH MET 191.A O no hydrogen 2.489 N/A LEU 6.A N GLU 2.A O no hydrogen 3.083 N/A GLY 7.A N LEU 3.A O no hydrogen 2.554 N/A GLN 8.A N GLN 4.A O no hydrogen 2.814 N/A ILE 9.A N TYR 5.A O no hydrogen 2.851 N/A GLN 10.A N LEU 6.A O no hydrogen 2.710 N/A HIS 11.A N GLY 7.A O no hydrogen 2.668 N/A ILE 12.A N GLN 8.A O no hydrogen 3.150 N/A ARG 14.A N HIS 11.A O no hydrogen 3.361 N/A CYS 15.A SG ARG 14.A O no hydrogen 2.799 N/A ARG 18.A NH2 ASP 20.A OD1 no hydrogen 3.090 N/A LYS 19.A N THR 27.A O no hydrogen 3.071 N/A LYS 19.A NZ ASP 226.A OD2 no hydrogen 2.884 N/A ASP 21.A N THR 25.A O no hydrogen 2.929 N/A THR 23.A OG1 ASP 21.A OD1 no hydrogen 2.590 N/A THR 23.A OG1 ASP 21.A OD2 no hydrogen 3.225 N/A GLY 24.A N THR 23.A OG1 no hydrogen 2.326 N/A THR 25.A N THR 23.A OG1 no hydrogen 2.994 N/A THR 27.A N LYS 19.A O no hydrogen 3.162 N/A THR 27.A OG1 LYS 19.A O no hydrogen 3.070 N/A LEU 28.A N ILE 229.A O no hydrogen 2.849 N/A SER 29.A N VAL 17.A O no hydrogen 2.645 N/A SER 29.A OG ASP 226.A OD1 no hydrogen 2.748 N/A VAL 30.A N ALA 227.A O no hydrogen 2.955 N/A GLY 32.A N GLY 225.A O no hydrogen 2.655 N/A MET 33.A N LEU 224.A O no hydrogen 2.920 N/A ALA 35.A N HIS 222.A O no hydrogen 2.872 N/A ARG 36.A N GLN 4.A OE1 no hydrogen 2.818 N/A ARG 36.A NH1 ASP 219.A OD2 no hydrogen 3.175 N/A TYR 37.A N PHE 220.A O no hydrogen 2.952 N/A LEU 39.A N GLY 218.A O no hydrogen 2.792 N/A ARG 40.A N SER 38.A OG no hydrogen 3.160 N/A ARG 40.A NE GLU 179.A OE1 no hydrogen 2.975 N/A ARG 40.A NE GLU 179.A OE2 no hydrogen 2.823 N/A ARG 40.A NH1 ASP 219.A OD1 no hydrogen 2.914 N/A ARG 40.A NH2 GLU 179.A OE1 no hydrogen 2.957 N/A ARG 40.A NH2 ASP 219.A OD2 no hydrogen 3.070 N/A GLU 42.A N TYR 207.A OH no hydrogen 3.322 N/A PHE 43.A N PRO 249.A O no hydrogen 2.829 N/A LEU 45.A N PHE 43.A O no hydrogen 2.808 N/A THR 47.A N GLU 2.A OE1 no hydrogen 2.852 N/A THR 47.A N GLU 2.A OE2 no hydrogen 2.908 N/A THR 47.A OG1 GLU 2.A OE1 no hydrogen 2.673 N/A THR 47.A OG1 ARG 246.A O no hydrogen 3.202 N/A THR 48.A N GLU 2.A OE2 no hydrogen 2.894 N/A THR 48.A OG1 GLU 2.A OE2 no hydrogen 3.115 N/A VAL 51.A N TYR 273.A OH no hydrogen 3.009 N/A VAL 56.A N PHE 52.A O no hydrogen 3.008 N/A LEU 57.A N TRP 53.A O no hydrogen 2.752 N/A GLU 58.A N LYS 54.A O no hydrogen 2.691 N/A GLU 59.A N GLY 55.A O no hydrogen 2.774 N/A LEU 60.A N VAL 56.A O no hydrogen 3.138 N/A LEU 61.A N LEU 57.A O no hydrogen 3.115 N/A TRP 62.A N GLU 58.A O no hydrogen 2.928 N/A TRP 62.A NE1 ASN 69.A O no hydrogen 3.009 N/A PHE 63.A N GLU 59.A O no hydrogen 2.764 N/A ILE 64.A N LEU 60.A O no hydrogen 2.830 N/A LYS 65.A N LEU 61.A O no hydrogen 3.022 N/A LYS 65.A NZ GLU 72.A OE2 no hydrogen 2.879 N/A GLY 66.A N PHE 63.A O no hydrogen 2.886 N/A SER 67.A N TRP 62.A O no hydrogen 3.325 N/A SER 67.A OG ASN 69.A O no hydrogen 3.388 N/A THR 68.A OG1 TYR 118.A OH no hydrogen 2.669 N/A ASN 69.A N SER 67.A OG no hydrogen 3.161 N/A ALA 70.A N GLY 101.A O no hydrogen 2.754 N/A LYS 71.A N ASN 69.A OD1 no hydrogen 2.812 N/A GLU 72.A N ASN 69.A O no hydrogen 3.023 N/A LEU 73.A N ALA 70.A O no hydrogen 3.085 N/A SER 74.A N ALA 70.A O no hydrogen 2.850 N/A SER 74.A OG ASP 82.A OD1 no hydrogen 3.134 N/A SER 74.A OG ASP 82.A OD2 no hydrogen 2.570 N/A SER 75.A N LYS 71.A O no hydrogen 2.973 N/A SER 75.A OG GLU 72.A O no hydrogen 2.977 N/A LYS 76.A N LEU 73.A O no hydrogen 2.928 N/A GLY 77.A N SER 74.A O no hydrogen 2.925 N/A TRP 81.A NE1.A GLU 59.A OE2 no hydrogen 2.874 N/A TRP 81.A NE1.B GLU 59.A OE2 no hydrogen 2.510 N/A ASP 82.A N LYS 79.A O no hydrogen 3.022 N/A ASN 84.A N TRP 81.A O no hydrogen 3.268 N/A ASN 84.A ND2 ALA 163.A O no hydrogen 3.078 N/A GLY 85.A N ASP 82.A O no hydrogen 2.991 N/A SER 86.A OG ALA 83.A O no hydrogen 3.000 N/A ARG 87.A N GLU 100.A OE2 no hydrogen 2.929 N/A ARG 87.A NH1 ASP 91.A OD1 no hydrogen 2.735 N/A LEU 90.A N SER 86.A O no hydrogen 3.065 N/A ASP 91.A N ARG 87.A O no hydrogen 3.068 N/A SER 92.A N ASP 88.A O no hydrogen 2.728 N/A SER 92.A OG PHE 89.A O no hydrogen 2.673 N/A LEU 93.A N PHE 89.A O no hydrogen 3.036 N/A LEU 93.A N LEU 90.A O no hydrogen 3.260 N/A GLY 94.A N ASP 91.A O no hydrogen 2.845 N/A PHE 95.A N LEU 90.A O no hydrogen 2.765 N/A ARG 98.A N PHE 95.A O no hydrogen 3.243 N/A ARG 98.A NH1 ASP 102.A O no hydrogen 3.222 N/A ARG 98.A NH1 LEU 161.A O no hydrogen 3.114 N/A ARG 98.A NH2 LEU 161.A O no hydrogen 2.576 N/A GLY 101.A N GLY 85.A O no hydrogen 2.682 N/A ASP 102.A N GLU 99.A O no hydrogen 3.180 N/A LEU 103.A N THR 68.A O no hydrogen 2.814 N/A GLY 104.A N ASP 102.A OD1 no hydrogen 3.269 N/A VAL 106.A N GLY 104.A O no hydrogen 2.497 N/A GLN 110.A N VAL 106.A O no hydrogen 3.105 N/A GLN 110.A NE2 PRO 105.A O no hydrogen 2.806 N/A GLN 110.A NE2 ASP 158.A OD2 no hydrogen 2.908 N/A TRP 111.A N TYR 107.A O no hydrogen 2.917 N/A ARG 112.A N GLY 108.A O no hydrogen 3.130 N/A ARG 112.A NE ILE 64.A O no hydrogen 3.012 N/A ARG 112.A NH1 ASP 131.A OD1 no hydrogen 3.093 N/A ARG 112.A NH2 ASP 261.A OD2 no hydrogen 2.933 N/A HIS 113.A N PHE 109.A O no hydrogen 2.540 N/A HIS 113.A ND1 GLN 128.A O no hydrogen 2.772 N/A PHE 114.A N VAL 130.A O no hydrogen 3.048 N/A ALA 116.A N HIS 113.A O no hydrogen 3.051 N/A TYR 118.A OH THR 68.A OG1 no hydrogen 2.669 N/A TYR 118.A OH ASP 102.A OD1 no hydrogen 2.487 N/A ARG 119.A N TYR 125.A OH no hydrogen 2.797 N/A ASP 120.A N SER 123.A OG no hydrogen 3.265 N/A MET 121.A N ASP 102.A OD2 no hydrogen 2.672 N/A GLU 122.A N ASP 120.A OD2 no hydrogen 3.392 N/A SER 123.A N ASP 120.A O no hydrogen 2.980 N/A SER 123.A OG ASP 120.A O no hydrogen 3.209 N/A SER 123.A OG ASP 120.A OD1 no hydrogen 2.627 N/A TYR 125.A OH ASP 120.A O no hydrogen 2.820 N/A SER 126.A N ASP 124.A OD1 no hydrogen 3.246 N/A SER 126.A OG ASP 124.A OD1 no hydrogen 2.888 N/A SER 126.A OG ASP 124.A OD2 no hydrogen 2.796 N/A GLN 128.A N TYR 125.A O no hydrogen 2.732 N/A GLN 128.A NE2 ASP 124.A O no hydrogen 3.391 N/A GLN 128.A NE2 SER 126.A O no hydrogen 3.452 N/A VAL 130.A N PHE 114.A O no hydrogen 2.593 N/A LEU 133.A N TRP 111.A O no hydrogen 3.067 N/A GLN 134.A N ASP 131.A OD1 no hydrogen 2.974 N/A ARG 135.A N ASP 131.A O no hydrogen 3.067 N/A VAL 136.A N GLN 132.A O no hydrogen 2.904 N/A ILE 137.A N LEU 133.A O no hydrogen 3.118 N/A ASP 138.A N GLN 134.A O no hydrogen 2.788 N/A THR 139.A N ARG 135.A O no hydrogen 2.839 N/A THR 139.A OG1 ARG 135.A O no hydrogen 2.627 N/A ILE 140.A N VAL 136.A O no hydrogen 2.997 N/A LYS 141.A N ILE 137.A O no hydrogen 3.074 N/A THR 142.A N ASP 138.A O no hydrogen 2.852 N/A THR 142.A OG1 ASP 138.A O no hydrogen 2.704 N/A THR 142.A OG1 THR 139.A O no hydrogen 3.486 N/A ASN 143.A N THR 139.A O no hydrogen 2.550 N/A ASP 146.A N ASN 143.A O no hydrogen 2.788 N/A ARG 148.A N ASP 146.A OD2 no hydrogen 2.883 N/A MET 151.A N CYS 171.A O no hydrogen 3.015 N/A CYS 152.A SG TRP 154.A O no hydrogen 3.474 N/A CYS 152.A SG ALA 169.A O no hydrogen 3.342 N/A ALA 153.A N ALA 169.A O no hydrogen 2.775 N/A TRP 154.A N ALA 169.A O no hydrogen 3.078 N/A ASN 155.A ND2 GLN 110.A OE1 no hydrogen 2.721 N/A ASP 158.A N ASN 155.A OD1 no hydrogen 3.457 N/A LEU 159.A N ASN 155.A O no hydrogen 2.820 N/A LEU 161.A N ASP 158.A O no hydrogen 2.923 N/A MET 162.A N LEU 159.A O no hydrogen 3.120 N/A ALA 163.A N LEU 103.A O no hydrogen 2.812 N/A CYS 167.A N TYR 107.A OH no hydrogen 2.930 N/A CYS 167.A SG SER 188.A O no hydrogen 3.850 N/A HIS 168.A N TYR 107.A OH no hydrogen 3.444 N/A CYS 171.A N MET 151.A O no hydrogen 2.926 N/A CYS 171.A SG MET 151.A O no hydrogen 3.790 N/A GLN 172.A N GLN 183.A O no hydrogen 2.713 N/A PHE 173.A N ILE 149.A O no hydrogen 2.823 N/A TYR 174.A N SER 181.A O no hydrogen 2.874 N/A VAL 176.A N GLU 179.A O no hydrogen 3.128 N/A GLU 179.A N VAL 176.A O no hydrogen 2.763 N/A LEU 180.A N LYS 216.A O no hydrogen 2.602 N/A SER 181.A N TYR 174.A O no hydrogen 2.680 N/A CYS 182.A N ASP 219.A O no hydrogen 2.904 N/A CYS 182.A SG GLN 172.A O no hydrogen 3.922 N/A GLN 183.A N GLN 172.A O no hydrogen 2.731 N/A GLN 183.A NE2 GLN 34.A OE1 no hydrogen 3.573 N/A GLN 183.A NE2 THR 223.A OG1 no hydrogen 2.815 N/A LEU 184.A N ILE 221.A O no hydrogen 2.900 N/A TYR 185.A N LEU 170.A O no hydrogen 2.749 N/A GLN 186.A N THR 223.A O no hydrogen 2.855 N/A GLN 186.A NE2 SER 188.A O no hydrogen 3.050 N/A GLN 186.A NE2 ASN 198.A OD1 no hydrogen 2.581 N/A ARG 187.A N CYS 167.A O no hydrogen 2.935 N/A ARG 187.A NE PRO 166.A O no hydrogen 2.567 N/A ARG 187.A NH2 PRO 165.A O no hydrogen 3.166 N/A GLY 189.A N ASP 226.A O no hydrogen 2.859 N/A MET 191.A N HIS 228.A O no hydrogen 2.877 N/A GLY 192.A N ASP 190.A OD1 no hydrogen 3.098 N/A LEU 193.A N ASP 190.A O no hydrogen 2.978 N/A VAL 195.A N ASP 190.A O no hydrogen 3.110 N/A ASN 198.A N GLY 194.A O no hydrogen 2.660 N/A ILE 199.A N VAL 195.A O no hydrogen 2.787 N/A ALA 200.A N PRO 196.A O no hydrogen 3.111 N/A SER 201.A N PHE 197.A O no hydrogen 2.717 N/A TYR 202.A N ASN 198.A O no hydrogen 2.906 N/A ALA 203.A N ILE 199.A O no hydrogen 2.881 N/A LEU 204.A N ALA 200.A O no hydrogen 2.842 N/A LEU 205.A N SER 201.A O no hydrogen 3.012 N/A THR 206.A N TYR 202.A O no hydrogen 3.014 N/A THR 206.A OG1 TYR 202.A O no hydrogen 2.794 N/A TYR 207.A N ALA 203.A O no hydrogen 2.893 N/A TYR 207.A OH LEU 39.A O no hydrogen 2.620 N/A TYR 207.A OH GLU 42.A O no hydrogen 2.897 N/A MET 208.A N LEU 204.A O no hydrogen 2.855 N/A ILE 209.A N LEU 205.A O no hydrogen 2.854 N/A ALA 210.A N THR 206.A O no hydrogen 2.728 N/A HIS 211.A N TYR 207.A O no hydrogen 2.892 N/A ILE 212.A N MET 208.A O no hydrogen 2.981 N/A THR 213.A N ILE 209.A O no hydrogen 2.947 N/A THR 213.A N ALA 210.A O no hydrogen 3.018 N/A THR 213.A OG1 ILE 209.A O no hydrogen 2.633 N/A THR 213.A OG1 ALA 210.A O no hydrogen 3.073 N/A LEU 215.A N ALA 210.A O no hydrogen 2.870 N/A LYS 216.A N SER 178.A O no hydrogen 2.784 N/A GLY 218.A N LEU 180.A O no hydrogen 2.624 N/A ASP 219.A N SER 181.A OG no hydrogen 2.754 N/A PHE 220.A N TYR 37.A O no hydrogen 2.837 N/A ILE 221.A N CYS 182.A O no hydrogen 2.741 N/A HIS 222.A N ALA 35.A O no hydrogen 2.767 N/A THR 223.A N LEU 184.A O no hydrogen 2.963 N/A THR 223.A OG1 GLN 34.A OE1 no hydrogen 3.275 N/A LEU 224.A N MET 33.A O no hydrogen 2.746 N/A GLY 225.A N GLN 186.A O no hydrogen 2.682 N/A ASP 226.A N ARG 187.A O no hydrogen 2.715 N/A ALA 227.A N VAL 30.A O no hydrogen 2.804 N/A HIS 228.A N GLY 189.A O no hydrogen 3.004 N/A HIS 228.A ND1 ASP 226.A O no hydrogen 2.908 N/A ILE 229.A N LEU 28.A O no hydrogen 3.089 N/A TYR 230.A OH ASP 21.A OD2 no hydrogen 2.757 N/A LEU 231.A N GLY 26.A O no hydrogen 3.275 N/A HIS 233.A N TYR 230.A O no hydrogen 2.693 N/A ILE 234.A N LEU 231.A O no hydrogen 3.203 N/A LEU 237.A N HIS 233.A O no hydrogen 2.806 N/A ILE 239.A N GLU 235.A O no hydrogen 2.786 N/A GLN 240.A N PRO 236.A O no hydrogen 2.875 N/A LEU 241.A N LEU 237.A O no hydrogen 2.641 N/A GLN 242.A N ILE 239.A O no hydrogen 3.211 N/A GLN 242.A NE2 ILE 239.A O no hydrogen 3.606 N/A ARG 243.A N GLN 240.A O no hydrogen 2.698 N/A ARG 243.A NH1 THR 48.A O no hydrogen 3.536 N/A ARG 243.A NH1 PRO 277.A O no hydrogen 2.714 N/A ARG 243.A NH2 THR 278.A OG1 no hydrogen 2.819 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.580 N/A ARG 246.A N THR 47.A OG1 no hydrogen 2.717 N/A ARG 246.A NE ASN 274.A O no hydrogen 2.854 N/A LYS 250.A N GLU 271.A O no hydrogen 2.769 N/A LYS 250.A NZ ASP 41.A O no hydrogen 2.937 N/A ARG 252.A N GLN 269.A O no hydrogen 2.658 N/A ARG 252.A NE GLU 271.A OE2 no hydrogen 2.930 N/A ARG 252.A NH2 GLU 271.A OE1 no hydrogen 3.394 N/A LEU 254.A N ASP 267.A O no hydrogen 2.672 N/A ARG 255.A NH1 ASP 262.A O no hydrogen 3.171 N/A ARG 255.A NH1 ASP 267.A OD1 no hydrogen 3.145 N/A LYS 256.A NZ HIS 211.A O no hydrogen 3.423 N/A LYS 256.A NZ VAL 257.A O no hydrogen 3.330 N/A ASP 262.A N LYS 259.A O no hydrogen 2.691 N/A PHE 263.A N ILE 260.A O no hydrogen 3.450 N/A LYS 264.A N ASP 267.A OD2 no hydrogen 2.682 N/A LYS 264.A NZ ASP 262.A O no hydrogen 2.922 N/A ASP 267.A N LYS 264.A O no hydrogen 2.732 N/A PHE 268.A N ALA 265.A O no hydrogen 3.345 N/A GLN 269.A N ARG 252.A O no hydrogen 2.778 N/A GLU 271.A N LYS 250.A O no hydrogen 2.642 N/A TYR 273.A OH LEU 46.A O no hydrogen 2.600 N/A HIS 276.A N THR 47.A O no hydrogen 2.892 N/A HIS 276.A NE2 GLU 244.A O no hydrogen 2.867 N/A THR 278.A OG1 PRO 277.A O no hydrogen 2.502 N/A