Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xx1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N ASP 2.A OD1 no hydrogen 3.059 N/A ARG 4.A NE ASP 2.A OD1 no hydrogen 2.855 N/A ARG 4.A NE ASP 2.A OD2 no hydrogen 3.365 N/A ARG 4.A NH1 ASN 267.A O no hydrogen 2.955 N/A ARG 4.A NH2 ASP 2.A OD2 no hydrogen 2.565 N/A ARG 5.A N LYS 269.A O no hydrogen 2.936 N/A ARG 5.A NH1 ASP 247.A OD1 no hydrogen 2.896 N/A ILE 7.A N ARG 271.A O no hydrogen 2.683 N/A TRP 8.A N ASP 247.A O no hydrogen 2.819 N/A ASN 9.A N ASN 29.A OD1 no hydrogen 2.653 N/A ASN 9.A ND2 GLY 27.A O no hydrogen 3.338 N/A ASN 9.A ND2 PRO 254.A O no hydrogen 2.909 N/A LEU 10.A N ILE 249.A O no hydrogen 2.762 N/A ALA 11.A N ALA 30.A O no hydrogen 2.845 N/A HIS 12.A N THR 251.A O no hydrogen 2.698 N/A HIS 12.A ND1 ASN 252.A OD1 no hydrogen 2.743 N/A MET 13.A N GLU 32.A OE1 no hydrogen 2.760 N/A VAL 14.A N GLU 32.A O no hydrogen 2.772 N/A ALA 16.A N GLN 19.A OE1 no hydrogen 3.270 N/A GLN 19.A N ALA 16.A O no hydrogen 2.922 N/A ILE 20.A N VAL 17.A O no hydrogen 3.014 N/A PHE 23.A N GLN 19.A O no hydrogen 2.898 N/A LEU 24.A N ILE 20.A O no hydrogen 2.964 N/A ASP 25.A N PRO 21.A O no hydrogen 2.726 N/A LEU 26.A N ASP 22.A O no hydrogen 3.014 N/A GLY 27.A N PHE 23.A O no hydrogen 3.248 N/A GLY 27.A N LEU 24.A O no hydrogen 2.850 N/A ALA 28.A N PHE 23.A O no hydrogen 3.180 N/A ASN 29.A N ASN 9.A O no hydrogen 3.091 N/A ASN 29.A ND2 ILE 7.A O no hydrogen 3.102 N/A ASN 29.A ND2 ALA 273.A O no hydrogen 2.960 N/A ALA 30.A N ASN 9.A O no hydrogen 3.198 N/A LEU 31.A N LEU 87.A O no hydrogen 3.202 N/A GLU 32.A N ALA 11.A O no hydrogen 2.788 N/A ALA 33.A N VAL 89.A O no hydrogen 2.924 N/A VAL 35.A N ASP 91.A O no hydrogen 2.869 N/A THR 36.A N TYR 44.A O no hydrogen 2.776 N/A THR 36.A OG1 TYR 44.A O no hydrogen 3.392 N/A LYS 38.A N VAL 41.A O no hydrogen 2.907 N/A VAL 41.A N LYS 38.A O no hydrogen 3.027 N/A THR 43.A N THR 36.A O no hydrogen 2.707 N/A THR 43.A OG1 VAL 41.A O no hydrogen 2.843 N/A TYR 44.A N THR 36.A OG1 no hydrogen 3.031 N/A THR 45.A N GLU 61.A O no hydrogen 2.790 N/A THR 45.A OG1 ASN 15.A O no hydrogen 2.723 N/A THR 45.A OG1 GLU 61.A O no hydrogen 3.353 N/A TYR 46.A N ASP 34.A O no hydrogen 2.742 N/A HIS 47.A ND1 GLY 48.A O no hydrogen 2.618 N/A GLY 48.A N CYS 57.A O no hydrogen 2.775 N/A CYS 51.A SG ASP 52.A O no hydrogen 3.739 N/A CYS 51.A SG ARG 55.A O no hydrogen 3.276 N/A ARG 55.A N ASP 52.A O no hydrogen 3.062 N/A ARG 55.A NH1 HIS 12.A O no hydrogen 2.747 N/A ARG 55.A NH1 ASN 252.A OD1 no hydrogen 2.745 N/A ARG 55.A NH2 MET 13.A O no hydrogen 2.851 N/A CYS 57.A SG ARG 55.A O no hydrogen 3.759 N/A GLU 61.A N THR 45.A O no hydrogen 3.017 N/A TYR 62.A N GLU 61.A OE2 no hydrogen 2.792 N/A PHE 63.A N THR 43.A O no hydrogen 2.847 N/A VAL 65.A N ASN 64.A OD1 no hydrogen 2.909 N/A PHE 66.A N TYR 62.A O no hydrogen 2.849 N/A LEU 67.A N PHE 63.A O no hydrogen 2.862 N/A LYS 68.A N ASN 64.A O no hydrogen 2.738 N/A THR 69.A N VAL 65.A O no hydrogen 2.888 N/A THR 69.A OG1 VAL 65.A O no hydrogen 2.821 N/A LEU 70.A N PHE 66.A O no hydrogen 2.823 N/A ARG 71.A N LEU 67.A O no hydrogen 2.855 N/A GLU 72.A N LYS 68.A O no hydrogen 3.019 N/A TYR 73.A N THR 69.A O no hydrogen 3.003 N/A THR 74.A N ARG 71.A O no hydrogen 3.067 N/A THR 74.A OG1 LEU 70.A O no hydrogen 2.703 N/A THR 74.A OG1 ARG 71.A O no hydrogen 3.375 N/A THR 74.A OG1 TYR 117.A OH no hydrogen 2.873 N/A THR 75.A OG1 ARG 71.A O no hydrogen 2.592 N/A ASN 78.A N THR 75.A O no hydrogen 2.997 N/A LYS 80.A N ASN 78.A OD1 no hydrogen 2.895 N/A TYR 81.A N ASN 78.A O no hydrogen 2.913 N/A ARG 82.A N TYR 73.A O no hydrogen 2.733 N/A ARG 82.A NH1 ASP 25.A OD1 no hydrogen 2.768 N/A ARG 82.A NH2 ASP 25.A OD1 no hydrogen 2.866 N/A PHE 85.A N ARG 82.A O no hydrogen 3.132 N/A ILE 86.A N ASN 29.A O no hydrogen 2.753 N/A PHE 88.A N TYR 128.A O no hydrogen 2.840 N/A VAL 89.A N LEU 31.A O no hydrogen 2.796 N/A LEU 90.A N VAL 130.A O no hydrogen 2.800 N/A ASP 91.A N ALA 33.A O no hydrogen 2.726 N/A LEU 92.A N SER 132.A O no hydrogen 2.816 N/A LYS 93.A N VAL 35.A O no hydrogen 2.810 N/A LYS 93.A NZ ASP 91.A OD1 no hydrogen 3.297 N/A LYS 93.A NZ ASP 91.A OD2 no hydrogen 2.914 N/A THR 94.A N LEU 92.A O no hydrogen 2.942 N/A THR 94.A OG1 HIS 138.A ND1 no hydrogen 2.727 N/A LEU 97.A N THR 94.A O no hydrogen 2.916 N/A SER 98.A N GLN 101.A OE1 no hydrogen 2.963 N/A GLN 101.A N SER 98.A O no hydrogen 2.841 N/A VAL 102.A N ASN 99.A O no hydrogen 3.330 N/A ARG 103.A NE GLU 107.A OE2 no hydrogen 3.433 N/A ARG 103.A NH1 GLU 140.A OE1 no hydrogen 2.878 N/A ARG 103.A NH2 GLU 147.A OE1 no hydrogen 3.181 N/A ALA 105.A N GLN 101.A O no hydrogen 2.931 N/A GLY 106.A N VAL 102.A O no hydrogen 3.047 N/A GLU 107.A N ARG 103.A O no hydrogen 2.871 N/A ASN 108.A N PRO 104.A O no hydrogen 2.760 N/A ASN 108.A ND2 SER 40.A O no hydrogen 2.812 N/A VAL 109.A N ALA 105.A O no hydrogen 2.884 N/A ALA 110.A N GLY 106.A O no hydrogen 2.885 N/A LYS 111.A N GLU 107.A O no hydrogen 2.935 N/A GLU 112.A N ASN 108.A O no hydrogen 2.884 N/A LEU 113.A N VAL 109.A O no hydrogen 2.890 N/A LEU 114.A N ALA 110.A O no hydrogen 2.782 N/A GLN 115.A N LYS 111.A O no hydrogen 2.781 N/A ASN 116.A N GLU 112.A O no hydrogen 2.700 N/A ASN 116.A ND2 GLU 112.A OE1 no hydrogen 2.745 N/A TYR 117.A N LEU 113.A O no hydrogen 2.856 N/A TYR 117.A OH THR 74.A OG1 no hydrogen 2.873 N/A TRP 118.A N LEU 113.A O no hydrogen 2.724 N/A ASN 119.A ND2 ASN 122.A O no hydrogen 3.048 N/A ASN 120.A N LEU 114.A O no hydrogen 2.658 N/A GLY 121.A N TRP 118.A O no hydrogen 2.864 N/A ASN 122.A N ASN 119.A O no hydrogen 2.873 N/A GLY 125.A N TYR 117.A O no hydrogen 2.887 N/A ARG 126.A N THR 74.A O no hydrogen 2.754 N/A ARG 126.A NH2 ASP 83.A O no hydrogen 2.710 N/A ALA 127.A N TYR 117.A OH no hydrogen 2.781 N/A TYR 128.A N ILE 86.A O no hydrogen 2.877 N/A VAL 129.A N LYS 160.A O no hydrogen 2.735 N/A VAL 130.A N PHE 88.A O no hydrogen 2.860 N/A LEU 131.A N GLY 162.A O no hydrogen 2.828 N/A SER 132.A N LEU 90.A O no hydrogen 2.903 N/A LEU 133.A N ASP 164.A O no hydrogen 2.771 N/A ILE 136.A N GLY 167.A O no hydrogen 2.926 N/A GLY 137.A N ASP 135.A OD1 no hydrogen 2.674 N/A HIS 138.A N ASP 135.A O no hydrogen 2.871 N/A HIS 138.A ND1 THR 94.A OG1 no hydrogen 2.727 N/A PHE 141.A N HIS 138.A O no hydrogen 2.865 N/A ARG 143.A N TYR 139.A O no hydrogen 3.057 N/A ARG 143.A NH1 LYS 185.A O no hydrogen 2.763 N/A GLY 144.A N GLU 140.A O no hydrogen 2.733 N/A PHE 145.A N PHE 141.A O no hydrogen 2.806 N/A LYS 146.A N VAL 142.A O no hydrogen 2.790 N/A GLU 147.A N ARG 143.A O no hydrogen 2.904 N/A VAL 148.A N GLY 144.A O no hydrogen 3.054 N/A LEU 149.A N PHE 145.A O no hydrogen 3.271 N/A LYS 150.A N LYS 146.A O no hydrogen 2.859 N/A LYS 151.A N GLU 147.A O no hydrogen 2.731 N/A GLU 152.A N VAL 148.A O no hydrogen 2.866 N/A GLY 153.A N LYS 150.A O no hydrogen 2.950 N/A HIS 154.A N LEU 149.A O no hydrogen 2.704 N/A LEU 157.A N HIS 154.A O no hydrogen 2.969 N/A LEU 158.A N GLU 155.A O no hydrogen 2.908 N/A GLU 159.A N ASP 156.A O no hydrogen 2.959 N/A LYS 160.A N LEU 157.A O no hydrogen 2.789 N/A LYS 160.A NZ ARG 126.A O no hydrogen 2.705 N/A LYS 160.A NZ TYR 275.A OH no hydrogen 2.897 N/A VAL 161.A N LEU 158.A O no hydrogen 3.156 N/A GLY 162.A N VAL 129.A O no hydrogen 2.753 N/A TYR 163.A N HIS 191.A O no hydrogen 2.799 N/A ASP 164.A N LEU 131.A O no hydrogen 2.786 N/A PHE 165.A N TYR 183.A OH no hydrogen 2.769 N/A SER 166.A N LEU 133.A O no hydrogen 2.965 N/A ALA 178.A N THR 175.A OG1 no hydrogen 2.889 N/A THR 179.A N THR 175.A O no hydrogen 2.987 N/A THR 179.A OG1 THR 175.A O no hydrogen 2.726 N/A HIS 180.A N LEU 176.A O no hydrogen 2.749 N/A GLU 181.A N ASP 177.A O no hydrogen 2.876 N/A ALA 182.A N ALA 178.A O no hydrogen 2.945 N/A TYR 183.A N THR 179.A O no hydrogen 3.038 N/A LYS 184.A N HIS 180.A O no hydrogen 3.023 N/A LYS 185.A N GLU 181.A O no hydrogen 2.833 N/A ALA 186.A N ALA 182.A O no hydrogen 2.918 N/A GLY 187.A N LYS 184.A O no hydrogen 2.945 N/A VAL 188.A N TYR 183.A O no hydrogen 2.833 N/A HIS 191.A ND1 VAL 161.A O no hydrogen 2.666 N/A ILE 192.A N ASN 225.A OD1 no hydrogen 2.808 N/A TRP 193.A N TYR 163.A O no hydrogen 2.836 N/A TRP 193.A NE1 PRO 279.A O no hydrogen 2.787 N/A LEU 194.A N LYS 226.A O no hydrogen 2.767 N/A SER 195.A OG ASP 164.A OD2 no hydrogen 2.737 N/A ASP 196.A N TYR 228.A O no hydrogen 2.895 N/A GLY 197.A N ASP 196.A OD1 no hydrogen 2.742 N/A ASP 206.A N SER 202.A O no hydrogen 2.672 N/A MET 207.A N PRO 203.A O no hydrogen 2.868 N/A ALA 208.A N LEU 204.A O no hydrogen 3.019 N/A ARG 209.A N GLY 205.A O no hydrogen 2.837 N/A LEU 210.A N ASP 206.A O no hydrogen 3.103 N/A LYS 211.A N MET 207.A O no hydrogen 3.063 N/A GLU 212.A N ALA 208.A O no hydrogen 2.729 N/A ALA 213.A N ARG 209.A O no hydrogen 2.848 N/A ILE 214.A N LEU 210.A O no hydrogen 2.841 N/A LYS 215.A N LYS 211.A O no hydrogen 2.880 N/A SER 216.A N GLU 212.A O no hydrogen 2.752 N/A ARG 217.A N ALA 213.A O no hydrogen 2.754 N/A ARG 217.A NE ASP 218.A OD1 no hydrogen 2.828 N/A ARG 217.A NH1 GLY 245.A O no hydrogen 2.759 N/A ARG 217.A NH1 ASP 247.A OD2 no hydrogen 2.802 N/A ARG 217.A NH2 ASP 218.A OD1 no hydrogen 3.420 N/A ARG 217.A NH2 ASP 218.A OD2 no hydrogen 3.034 N/A ARG 217.A NH2 GLY 245.A O no hydrogen 2.972 N/A ASP 218.A N ILE 214.A O no hydrogen 2.949 N/A SER 219.A N SER 216.A O no hydrogen 3.064 N/A SER 219.A OG SER 216.A O no hydrogen 2.690 N/A GLY 222.A N SER 219.A O no hydrogen 3.004 N/A ASN 225.A N ILE 192.A O no hydrogen 2.639 N/A ASN 225.A ND2 THR 282.A OG1 no hydrogen 2.942 N/A LYS 226.A N ILE 192.A O no hydrogen 3.139 N/A LYS 226.A NZ GLU 281.A O no hydrogen 2.756 N/A ILE 227.A N ASP 247.A OD2 no hydrogen 2.796 N/A TYR 228.A N LEU 194.A O no hydrogen 2.826 N/A TYR 228.A OH ASP 164.A OD2 no hydrogen 2.580 N/A TYR 229.A N GLY 248.A O no hydrogen 2.989 N/A TRP 230.A N ASP 196.A O no hydrogen 2.811 N/A SER 231.A OG ASP 52.A OD2 no hydrogen 2.705 N/A VAL 232.A N MET 250.A O no hydrogen 2.914 N/A LYS 234.A N THR 237.A OG1 no hydrogen 3.250 N/A THR 237.A OG1 LYS 234.A O no hydrogen 3.013 N/A THR 238.A N LYS 234.A O no hydrogen 2.814 N/A THR 238.A OG1 LYS 234.A O no hydrogen 2.695 N/A LYS 239.A N VAL 235.A O no hydrogen 2.873 N/A LYS 239.A NZ GLU 263.A OE1 no hydrogen 2.868 N/A ALA 240.A N SER 236.A O no hydrogen 2.973 N/A ALA 241.A N THR 237.A O no hydrogen 2.854 N/A LEU 242.A N THR 238.A O no hydrogen 2.993 N/A ASP 243.A N LYS 239.A O no hydrogen 2.790 N/A VAL 244.A N ALA 240.A O no hydrogen 2.977 N/A GLY 245.A N ALA 241.A O no hydrogen 3.191 N/A VAL 246.A N ALA 241.A O no hydrogen 3.253 N/A ASP 247.A N ILE 227.A O no hydrogen 2.741 N/A GLY 248.A N ILE 227.A O no hydrogen 2.936 N/A ILE 249.A N TRP 8.A O no hydrogen 2.796 N/A MET 250.A N TYR 229.A O no hydrogen 2.856 N/A THR 251.A N LEU 10.A O no hydrogen 2.837 N/A THR 251.A OG1 VAL 232.A O no hydrogen 2.776 N/A THR 251.A OG1 ASP 233.A OD1 no hydrogen 3.105 N/A ASN 252.A N ASP 233.A OD1 no hydrogen 2.865 N/A ASN 252.A ND2 ASP 52.A OD2 no hydrogen 2.783 N/A ASN 252.A ND2 ASP 233.A OD2 no hydrogen 2.723 N/A TYR 253.A N THR 251.A OG1 no hydrogen 2.937 N/A VAL 256.A N TYR 253.A O no hydrogen 2.900 N/A ILE 258.A N PRO 254.A O no hydrogen 3.318 N/A GLY 259.A N ASN 255.A O no hydrogen 3.036 N/A VAL 260.A N VAL 256.A O no hydrogen 2.981 N/A LEU 261.A N LEU 257.A O no hydrogen 2.781 N/A LYS 262.A N GLY 259.A O no hydrogen 3.039 N/A GLU 263.A N VAL 260.A O no hydrogen 2.884 N/A TYR 266.A N GLU 263.A O no hydrogen 3.131 N/A TYR 266.A OH ASP 243.A OD2 no hydrogen 2.534 N/A ASN 267.A N GLU 263.A O no hydrogen 2.704 N/A ASN 267.A ND2 LYS 262.A O no hydrogen 3.073 N/A LYS 269.A N TYR 266.A O no hydrogen 2.987 N/A TYR 270.A N TYR 266.A O no hydrogen 2.992 N/A TYR 270.A OH LEU 242.A O no hydrogen 3.128 N/A TYR 270.A OH ASP 243.A OD1 no hydrogen 2.838 N/A ARG 271.A N ARG 5.A O no hydrogen 2.854 N/A ARG 271.A NH1 ASP 277.A OD1 no hydrogen 3.486 N/A ARG 271.A NH1 ASP 277.A OD2 no hydrogen 2.852 N/A ARG 271.A NH2 ASP 277.A OD1 no hydrogen 2.683 N/A ALA 273.A N ILE 7.A O no hydrogen 2.733 N/A THR 274.A N ASP 277.A OD2 no hydrogen 2.759 N/A THR 274.A OG1 ASP 277.A OD2 no hydrogen 3.341 N/A TYR 275.A OH ARG 126.A O no hydrogen 3.207 N/A ASP 277.A N THR 274.A O no hydrogen 2.885 N/A TRP 280.A N ASN 278.A OD1 no hydrogen 2.795 N/A TRP 280.A NE1 GLU 159.A O no hydrogen 2.849 N/A GLU 281.A N ASN 278.A O no hydrogen 3.041 N/A THR 282.A OG1 ILE 224.A O no hydrogen 3.473 N/A