Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xq1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N ILE 70.A O no hydrogen 2.788 N/A ASP 3.A N TYR 27.A OH no hydrogen 2.944 N/A ARG 4.A NE GLU 74.A OE1 no hydrogen 3.010 N/A ARG 4.A NH1 ARG 4.A O no hydrogen 3.201 N/A ARG 4.A NH2 GLU 74.A OE2 no hydrogen 2.920 N/A LYS 5.A N ASP 3.A OD1 no hydrogen 3.112 N/A LYS 5.A NZ ASP 3.A OD2 no hydrogen 2.651 N/A LEU 6.A N ASP 3.A O no hydrogen 2.865 N/A LEU 7.A N ARG 4.A O no hydrogen 3.208 N/A THR 8.A N TYR 26.A O no hydrogen 2.856 N/A GLU 10.A N LYS 24.A O no hydrogen 2.881 N/A LYS 12.A NZ GLU 13.A O no hydrogen 3.236 N/A LEU 14.A N VAL 22.A O no hydrogen 2.787 N/A GLY 15.A N VAL 22.A O no hydrogen 3.383 N/A SER 16.A OG GLU 13.A OE1 no hydrogen 2.621 N/A GLY 17.A N GLY 20.A O no hydrogen 2.939 N/A GLY 20.A N GLY 17.A O no hydrogen 3.041 N/A THR 21.A N ILE 40.A O no hydrogen 2.913 N/A VAL 22.A N GLY 15.A O no hydrogen 2.921 N/A LYS 23.A N VAL 38.A O no hydrogen 2.920 N/A LYS 23.A NZ ASP 11.A O no hydrogen 3.393 N/A GLY 25.A N VAL 36.A O no hydrogen 2.879 N/A TYR 26.A N THR 8.A O no hydrogen 2.809 N/A TYR 27.A N LYS 34.A O no hydrogen 2.877 N/A GLN 28.A N LEU 6.A O no hydrogen 2.896 N/A GLN 28.A NE2 MET 29.A O no hydrogen 2.719 N/A GLN 28.A NE2 LYS 31.A O no hydrogen 3.180 N/A MET 29.A N VAL 32.A O no hydrogen 2.898 N/A LYS 34.A N TYR 27.A O no hydrogen 2.918 N/A LYS 34.A NZ GLU 81.A OE2 no hydrogen 2.821 N/A VAL 36.A N GLY 25.A O no hydrogen 2.860 N/A ALA 37.A N MET 80.A O no hydrogen 2.861 N/A VAL 38.A N LYS 23.A O no hydrogen 2.765 N/A LYS 39.A N LEU 78.A O no hydrogen 2.825 N/A LYS 39.A NZ GLU 52.A OE1 no hydrogen 2.817 N/A LYS 39.A NZ GLU 52.A OE2 no hydrogen 3.281 N/A ILE 40.A N THR 21.A O no hydrogen 2.793 N/A LEU 41.A N TRP 76.A O no hydrogen 3.006 N/A LYS 46.A NZ ASP 47.A OD1 no hydrogen 2.666 N/A ASP 47.A N PRO 43.A O no hydrogen 3.308 N/A GLU 48.A N ALA 44.A O no hydrogen 2.966 N/A LEU 49.A N LEU 45.A O no hydrogen 2.958 N/A LEU 50.A N LYS 46.A O no hydrogen 3.006 N/A ALA 51.A N ASP 47.A O no hydrogen 2.951 N/A GLU 52.A N GLU 48.A O no hydrogen 2.897 N/A ALA 53.A N LEU 49.A O no hydrogen 2.884 N/A ASN 54.A N LEU 50.A O no hydrogen 2.932 N/A VAL 55.A N ALA 51.A O no hydrogen 2.935 N/A MET 56.A N GLU 52.A O no hydrogen 3.059 N/A GLN 57.A N ALA 53.A O no hydrogen 2.914 N/A GLN 58.A N VAL 55.A O no hydrogen 3.057 N/A GLN 58.A NE2 ASN 54.A O no hydrogen 3.012 N/A LEU 59.A N MET 56.A O no hydrogen 3.129 N/A ASP 60.A N TYR 116.A OH no hydrogen 2.943 N/A TYR 63.A N ASN 61.A OD1 no hydrogen 2.862 N/A ILE 64.A N ASN 61.A O no hydrogen 3.252 N/A VAL 65.A N ILE 142.A O no hydrogen 2.888 N/A ARG 66.A NH1 ASP 60.A OD1 no hydrogen 2.760 N/A ILE 68.A N VAL 79.A O no hydrogen 2.775 N/A GLY 69.A N VAL 79.A O no hydrogen 3.280 N/A CYS 71.A N MET 77.A O no hydrogen 2.909 N/A CYS 71.A SG LEU 2.A O no hydrogen 3.890 N/A ALA 73.A N SER 75.A O no hydrogen 3.093 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.844 N/A MET 77.A N CYS 71.A O no hydrogen 2.949 N/A LEU 78.A N LYS 39.A O no hydrogen 2.904 N/A VAL 79.A N GLY 69.A O no hydrogen 2.882 N/A MET 80.A N ALA 37.A O no hydrogen 2.849 N/A GLU 81.A N ARG 66.A O no hydrogen 2.917 N/A MET 82.A N THR 35.A O no hydrogen 3.295 N/A LEU 85.A N LEU 134.A O no hydrogen 2.921 N/A GLY 86.A N ALA 83.A O no hydrogen 3.296 N/A LEU 88.A N VAL 132.A O no hydrogen 2.784 N/A TYR 91.A N PRO 87.A O no hydrogen 2.970 N/A LEU 92.A N LEU 88.A O no hydrogen 2.965 N/A GLN 93.A N ASN 89.A O no hydrogen 2.966 N/A GLN 93.A NE2 GLY 198.A O no hydrogen 2.915 N/A GLN 94.A N LYS 90.A O no hydrogen 3.081 N/A ASN 95.A N LEU 92.A O no hydrogen 3.221 N/A ASN 95.A ND2 TYR 91.A O no hydrogen 2.814 N/A VAL 98.A N ASN 95.A O no hydrogen 3.284 N/A ASN 102.A ND2 GLN 137.A O no hydrogen 2.940 N/A ILE 103.A N LYS 99.A O no hydrogen 3.049 N/A ILE 104.A N ASP 100.A O no hydrogen 2.933 N/A GLU 105.A N LYS 101.A O no hydrogen 2.924 N/A LEU 106.A N ASN 102.A O no hydrogen 3.037 N/A VAL 107.A N ILE 103.A O no hydrogen 2.913 N/A HIS 108.A N ILE 104.A O no hydrogen 2.887 N/A HIS 108.A NE2 GLU 252.A OE2 no hydrogen 2.709 N/A GLN 109.A N GLU 105.A O no hydrogen 3.010 N/A GLN 109.A NE2 HIS 138.A O no hydrogen 2.873 N/A VAL 110.A N LEU 106.A O no hydrogen 3.019 N/A SER 111.A N VAL 107.A O no hydrogen 2.947 N/A SER 111.A OG HIS 108.A O no hydrogen 2.737 N/A MET 112.A N HIS 108.A O no hydrogen 2.912 N/A GLY 113.A N GLN 109.A O no hydrogen 3.008 N/A MET 114.A N VAL 110.A O no hydrogen 2.871 N/A LYS 115.A N SER 111.A O no hydrogen 2.852 N/A LYS 115.A NZ GLU 119.A OE2 no hydrogen 3.497 N/A TYR 116.A N MET 112.A O no hydrogen 3.092 N/A LEU 117.A N GLY 113.A O no hydrogen 2.887 N/A GLU 118.A N MET 114.A O no hydrogen 2.856 N/A GLU 119.A N LYS 115.A O no hydrogen 2.962 N/A SER 120.A N TYR 116.A O no hydrogen 2.944 N/A SER 120.A OG TYR 116.A O no hydrogen 2.851 N/A ASN 121.A N GLU 118.A O no hydrogen 3.044 N/A PHE 122.A N LEU 117.A O no hydrogen 3.162 N/A VAL 123.A N LYS 149.A O no hydrogen 2.960 N/A HIS 124.A N ASP 183.A OD2 no hydrogen 2.751 N/A HIS 124.A NE2 SER 143.A O no hydrogen 2.896 N/A ARG 125.A N ASP 183.A OD1 no hydrogen 2.955 N/A ARG 125.A NH1 LEU 147.A O no hydrogen 2.904 N/A ASP 126.A N HIS 124.A ND1 no hydrogen 2.956 N/A ALA 129.A N GLU 193.A OE1 no hydrogen 2.879 N/A ASN 131.A N ALA 128.A O no hydrogen 2.871 N/A ASN 131.A ND2 ASP 126.A O no hydrogen 2.756 N/A VAL 132.A N ALA 129.A O no hydrogen 3.217 N/A LEU 133.A N LYS 141.A O no hydrogen 2.765 N/A LEU 134.A N GLY 86.A O no hydrogen 2.897 N/A VAL 135.A N TYR 139.A O no hydrogen 2.786 N/A THR 136.A N TYR 139.A O no hydrogen 3.431 N/A GLN 137.A NE2 ASN 102.A OD1 no hydrogen 2.722 N/A HIS 138.A N THR 136.A OG1 no hydrogen 3.004 N/A HIS 138.A ND1 GLU 105.A OE1 no hydrogen 2.685 N/A TYR 139.A N THR 136.A O no hydrogen 3.207 N/A TYR 139.A OH PRO 62.A O no hydrogen 2.650 N/A ALA 140.A N GLN 109.A OE1 no hydrogen 2.830 N/A LYS 141.A N LEU 133.A O no hydrogen 2.910 N/A LYS 141.A NZ PRO 62.A O no hydrogen 2.979 N/A LYS 141.A NZ ILE 64.A O no hydrogen 3.195 N/A LYS 141.A NZ TYR 139.A OH no hydrogen 3.523 N/A ILE 142.A N TYR 63.A O no hydrogen 2.890 N/A SER 143.A N ASN 131.A O no hydrogen 2.870 N/A SER 143.A OG ASN 131.A O no hydrogen 2.868 N/A SER 143.A OG ASP 144.A OD1 no hydrogen 2.773 N/A SER 148.A N PHE 145.A O no hydrogen 3.110 N/A SER 148.A OG PHE 145.A O no hydrogen 2.610 N/A LYS 149.A N VAL 123.A O no hydrogen 2.985 N/A LEU 151.A N ASN 121.A O no hydrogen 2.849 N/A ARG 152.A NE ASP 154.A OD1 no hydrogen 2.919 N/A ARG 152.A NH2 ASP 154.A OD1 no hydrogen 3.291 N/A ARG 152.A NH2 ASP 154.A OD2 no hydrogen 2.757 N/A GLU 155.A N ARG 152.A O no hydrogen 3.171 N/A TYR 158.A N PHE 178.A O no hydrogen 2.750 N/A LYS 159.A NZ ALA 160.A O no hydrogen 3.129 N/A ALA 160.A N TYR 176.A O no hydrogen 2.959 N/A VAL 165.A N TRP 163.A O no hydrogen 2.916 N/A LYS 166.A NZ TYR 202.A O no hydrogen 3.210 N/A LYS 166.A NZ MET 205.A O no hydrogen 2.861 N/A TRP 167.A N PRO 164.A O no hydrogen 2.821 N/A TRP 167.A NE1 GLU 193.A OE1 no hydrogen 2.875 N/A TYR 168.A N VAL 165.A O no hydrogen 2.989 N/A TYR 168.A OH ARG 125.A O no hydrogen 2.635 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.954 N/A CYS 172.A N ALA 169.A O no hydrogen 3.013 N/A CYS 172.A SG LYS 177.A O no hydrogen 3.615 N/A ILE 173.A N ALA 169.A O no hydrogen 3.273 N/A ASN 174.A N PRO 170.A O no hydrogen 2.805 N/A TYR 175.A N GLU 171.A O no hydrogen 2.901 N/A TYR 176.A N CYS 172.A O no hydrogen 3.033 N/A LYS 177.A N GLU 171.A O no hydrogen 3.412 N/A PHE 178.A N TYR 158.A O no hydrogen 2.789 N/A SER 179.A N SER 182.A OG no hydrogen 3.047 N/A SER 179.A OG SER 182.A OG no hydrogen 3.119 N/A LYS 181.A NZ VAL 242.A O no hydrogen 3.394 N/A LYS 181.A NZ ARG 245.A O no hydrogen 2.665 N/A SER 182.A N SER 179.A OG no hydrogen 3.168 N/A SER 182.A OG GLU 171.A OE2 no hydrogen 2.726 N/A SER 182.A OG SER 179.A OG no hydrogen 3.119 N/A ASP 183.A N SER 179.A O no hydrogen 3.144 N/A VAL 184.A N SER 180.A O no hydrogen 2.919 N/A TRP 185.A N LYS 181.A O no hydrogen 3.219 N/A SER 186.A N SER 182.A O no hydrogen 3.197 N/A SER 186.A OG TRP 167.A O no hydrogen 2.731 N/A SER 186.A OG SER 182.A O no hydrogen 3.313 N/A PHE 187.A N ASP 183.A O no hydrogen 2.818 N/A GLY 188.A N VAL 184.A O no hydrogen 3.014 N/A VAL 189.A N TRP 185.A O no hydrogen 3.223 N/A LEU 190.A N SER 186.A O no hydrogen 2.856 N/A MET 191.A N PHE 187.A O no hydrogen 2.781 N/A TRP 192.A N GLY 188.A O no hydrogen 2.964 N/A TRP 192.A NE1 GLY 221.A O no hydrogen 2.883 N/A GLU 193.A N VAL 189.A O no hydrogen 2.854 N/A ALA 194.A N LEU 190.A O no hydrogen 2.900 N/A PHE 195.A N MET 191.A O no hydrogen 2.930 N/A SER 196.A N TRP 192.A O no hydrogen 2.929 N/A SER 196.A N GLU 193.A O no hydrogen 3.175 N/A SER 196.A OG TRP 192.A O no hydrogen 2.744 N/A TYR 197.A N ALA 194.A O no hydrogen 2.985 N/A TYR 197.A OH VAL 98.A O no hydrogen 2.590 N/A GLY 198.A N GLU 193.A O no hydrogen 2.869 N/A GLN 199.A N SER 196.A O no hydrogen 3.273 N/A MET 205.A N TYR 202.A O no hydrogen 3.190 N/A LYS 206.A N GLU 209.A OE1 no hydrogen 2.810 N/A VAL 210.A N LYS 206.A O no hydrogen 2.951 N/A THR 211.A N GLY 207.A O no hydrogen 2.994 N/A THR 211.A OG1 GLY 207.A O no hydrogen 3.336 N/A ALA 212.A N SER 208.A O no hydrogen 2.962 N/A MET 213.A N GLU 209.A O no hydrogen 2.856 N/A LEU 214.A N VAL 210.A O no hydrogen 2.897 N/A GLU 215.A N THR 211.A O no hydrogen 2.932 N/A LYS 216.A N ALA 212.A O no hydrogen 3.182 N/A GLY 217.A N LEU 214.A O no hydrogen 2.889 N/A GLU 218.A N MET 213.A O no hydrogen 3.080 N/A ARG 219.A NE TRP 238.A O no hydrogen 3.110 N/A ARG 219.A NH1 LEU 214.A O no hydrogen 3.221 N/A ARG 219.A NH1 GLU 218.A O no hydrogen 2.935 N/A ARG 219.A NH2 TRP 238.A O no hydrogen 3.079 N/A CYS 222.A SG PRO 223.A O no hydrogen 3.654 N/A CYS 222.A SG CYS 226.A O no hydrogen 3.588 N/A CYS 226.A N PRO 223.A O no hydrogen 3.037 N/A CYS 226.A SG PRO 227.A O no hydrogen 3.650 N/A GLU 229.A N GLU 229.A OE1 no hydrogen 2.736 N/A MET 230.A N PRO 227.A O no hydrogen 2.968 N/A TYR 231.A N PRO 227.A O no hydrogen 3.034 N/A TYR 231.A OH MET 220.A O no hydrogen 2.664 N/A ASP 232.A N ARG 228.A O no hydrogen 2.780 N/A LEU 233.A N GLU 229.A O no hydrogen 3.073 N/A MET 234.A N MET 230.A O no hydrogen 2.938 N/A ASN 235.A N TYR 231.A O no hydrogen 2.953 N/A LEU 236.A N ASP 232.A O no hydrogen 2.969 N/A CYS 237.A N LEU 233.A O no hydrogen 2.933 N/A CYS 237.A SG LEU 233.A O no hydrogen 3.435 N/A TRP 238.A N MET 234.A O no hydrogen 3.023 N/A THR 239.A N LEU 236.A O no hydrogen 3.187 N/A THR 239.A OG1 LEU 236.A O no hydrogen 2.666 N/A ASN 244.A N ASP 241.A O no hydrogen 2.892 N/A ARG 245.A N VAL 242.A O no hydrogen 3.109 N/A ARG 245.A NE THR 239.A O no hydrogen 2.878 N/A ARG 245.A NH1 GLU 171.A OE1 no hydrogen 3.478 N/A ARG 245.A NH1 GLU 171.A OE2 no hydrogen 2.782 N/A ARG 245.A NH1 LYS 181.A O no hydrogen 2.967 N/A ARG 245.A NH2 GLU 171.A OE1 no hydrogen 2.859 N/A ARG 245.A NH2 THR 239.A O no hydrogen 2.964 N/A ARG 245.A NH2 TYR 240.A O no hydrogen 3.122 N/A PHE 248.A N GLU 118.A OE2 no hydrogen 2.940 N/A VAL 251.A N GLY 247.A O no hydrogen 3.097 N/A GLU 252.A N PHE 248.A O no hydrogen 2.762 N/A LEU 253.A N ALA 249.A O no hydrogen 3.120 N/A ARG 254.A N ALA 250.A O no hydrogen 3.083 N/A LEU 255.A N VAL 251.A O no hydrogen 3.033 N/A ARG 256.A N GLU 252.A O no hydrogen 2.761 N/A ARG 256.A NE GLU 252.A OE2 no hydrogen 3.126 N/A ARG 256.A NH2 GLU 252.A OE1 no hydrogen 2.706 N/A ASN 257.A N LEU 253.A O no hydrogen 2.928 N/A TYR 258.A N ARG 254.A O no hydrogen 3.045 N/A TYR 259.A N LEU 255.A O no hydrogen 2.903 N/A TYR 260.A N ARG 256.A O no hydrogen 3.017 N/A ASP 261.A N ASN 257.A O no hydrogen 3.040 N/A VAL 262.A N TYR 258.A O no hydrogen 2.992 N/A VAL 263.A N TYR 259.A O no hydrogen 2.765 N/A