Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8c1f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 7.A OD2 no hydrogen 2.813 N/A ASP 7.A N ALA 4.A O no hydrogen 3.059 N/A PHE 8.A N LEU 5.A O no hydrogen 2.957 N/A GLU 9.A N ARG 26.A O no hydrogen 2.846 N/A GLY 11.A N LEU 24.A O no hydrogen 2.770 N/A LEU 14.A N VAL 22.A O no hydrogen 2.682 N/A GLY 15.A N VAL 22.A O no hydrogen 3.426 N/A GLY 17.A N GLY 20.A O no hydrogen 2.828 N/A LYS 18.A NZ GLU 135.A OE1 no hydrogen 3.292 N/A ASN 21.A N VAL 38.A O no hydrogen 3.169 N/A VAL 22.A N GLY 15.A O no hydrogen 2.968 N/A TYR 23.A N LEU 36.A O no hydrogen 2.800 N/A LEU 24.A N ARG 12.A O no hydrogen 2.954 N/A ALA 25.A N LEU 34.A O no hydrogen 2.927 N/A ARG 26.A N GLU 9.A O no hydrogen 2.823 N/A ARG 26.A NE GLU 9.A OE1 no hydrogen 3.377 N/A ARG 26.A NH2 GLU 9.A OE1 no hydrogen 2.635 N/A GLU 27.A N PHE 32.A O no hydrogen 2.843 N/A LYS 28.A N ASP 7.A O no hydrogen 2.937 N/A LYS 28.A NZ GLU 6.A O no hydrogen 2.794 N/A GLN 29.A N GLU 27.A OE2 no hydrogen 3.087 N/A SER 30.A N GLU 27.A OE1 no hydrogen 3.016 N/A SER 30.A OG GLU 27.A OE1 no hydrogen 2.742 N/A LYS 31.A N GLU 27.A O no hydrogen 2.787 N/A PHE 32.A N SER 30.A OG no hydrogen 3.192 N/A LEU 34.A N ALA 25.A O no hydrogen 2.918 N/A ALA 35.A N LEU 85.A O no hydrogen 2.827 N/A LEU 36.A N TYR 23.A O no hydrogen 2.844 N/A LYS 37.A N LEU 83.A O no hydrogen 2.938 N/A LYS 37.A NZ GLU 56.A OE2 no hydrogen 2.811 N/A VAL 38.A N ASN 21.A O no hydrogen 2.871 N/A LEU 39.A N VAL 81.A O no hydrogen 2.803 N/A PHE 40.A N PHE 19.A O no hydrogen 2.927 N/A LYS 41.A N THR 79.A O no hydrogen 2.875 N/A LYS 41.A NZ HIS 76.A ND1 no hydrogen 2.822 N/A LYS 41.A NZ ASP 77.A O no hydrogen 2.748 N/A LEU 44.A N PHE 40.A O no hydrogen 3.091 N/A GLU 45.A N LYS 41.A O no hydrogen 2.865 N/A LYS 46.A N ALA 42.A O no hydrogen 2.891 N/A LYS 46.A NZ LYS 46.A O no hydrogen 3.362 N/A ALA 47.A N GLN 43.A O no hydrogen 2.994 N/A GLY 48.A N GLU 45.A O no hydrogen 2.814 N/A VAL 49.A N LEU 44.A O no hydrogen 2.985 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.785 N/A ARG 54.A N GLU 50.A O no hydrogen 3.350 N/A ARG 54.A NH2 TYR 74.A OH no hydrogen 3.569 N/A ARG 55.A N HIS 51.A O.A no hydrogen 3.103 N/A ARG 55.A N HIS 51.A O.B no hydrogen 3.059 N/A ARG 55.A NH2 HIS 51.A NE2.B no hydrogen 2.980 N/A VAL 57.A N LEU 53.A O no hydrogen 2.881 N/A GLU 58.A N ARG 54.A O no hydrogen 2.888 N/A ILE 59.A N ARG 55.A O no hydrogen 2.792 N/A GLN 60.A N GLU 56.A O no hydrogen 2.995 N/A GLN 60.A NE2 LEU 69.A O no hydrogen 2.871 N/A SER 61.A N VAL 57.A O no hydrogen 2.954 N/A SER 61.A OG VAL 57.A O no hydrogen 2.698 N/A SER 61.A OG GLU 58.A O no hydrogen 3.155 N/A SER 61.A OG HIS 62.A ND1 no hydrogen 3.339 N/A HIS 62.A N ILE 59.A O no hydrogen 3.335 N/A HIS 62.A ND1 GLU 58.A O no hydrogen 2.697 N/A LEU 63.A N GLN 60.A O no hydrogen 3.162 N/A ARG 64.A N TYR 121.A OH no hydrogen 2.920 N/A ARG 64.A NH1 SER 61.A O no hydrogen 2.852 N/A ASN 67.A N HIS 65.A ND1 no hydrogen 2.902 N/A ILE 68.A N HIS 65.A O no hydrogen 3.063 N/A LEU 69.A N ILE 147.A O no hydrogen 2.833 N/A ARG 70.A N GLU 86.A OE1 no hydrogen 2.996 N/A TYR 72.A N ILE 84.A O no hydrogen 2.771 N/A PHE 75.A N TYR 82.A O no hydrogen 3.037 N/A ASP 77.A N ARG 80.A O no hydrogen 2.887 N/A THR 79.A N ASP 77.A OD1 no hydrogen 3.114 N/A THR 79.A OG1 ASP 77.A OD1 no hydrogen 3.559 N/A ARG 80.A N ASP 77.A OD1 no hydrogen 2.790 N/A VAL 81.A N LEU 39.A O no hydrogen 2.780 N/A TYR 82.A N PHE 75.A O no hydrogen 2.889 N/A TYR 82.A OH ASP 77.A OD2 no hydrogen 2.824 N/A LEU 83.A N LYS 37.A O no hydrogen 2.853 N/A ILE 84.A N GLY 73.A O no hydrogen 2.860 N/A LEU 85.A N ALA 35.A O no hydrogen 2.724 N/A GLU 86.A N ARG 70.A O no hydrogen 2.988 N/A LEU 90.A N LEU 139.A O no hydrogen 2.970 N/A GLY 91.A N ALA 88.A O no hydrogen 3.451 N/A VAL 93.A N LEU 137.A O no hydrogen 2.774 N/A TYR 94.A N PRO 134.A O no hydrogen 3.112 N/A ARG 95.A N THR 92.A OG1 no hydrogen 2.997 N/A ARG 95.A NE GLN 98.A OE1 no hydrogen 3.077 N/A GLU 96.A N THR 92.A O no hydrogen 3.412 N/A LEU 97.A N VAL 93.A O no hydrogen 2.982 N/A GLN 98.A N TYR 94.A O no hydrogen 3.125 N/A LYS 99.A N ARG 95.A O no hydrogen 3.131 N/A LYS 99.A NZ GLU 96.A OE2 no hydrogen 3.469 N/A LEU 100.A N GLU 96.A O no hydrogen 2.924 N/A PHE 103.A N PHE 192.A O no hydrogen 2.754 N/A ARG 107.A N ASP 104.A OD1 no hydrogen 2.816 N/A ARG 107.A NE TYR 111.A OH no hydrogen 2.929 N/A ARG 107.A NH1 GLU 96.A OE1 no hydrogen 3.522 N/A ARG 107.A NH2 GLU 96.A OE1 no hydrogen 2.753 N/A ARG 107.A NH2 TYR 111.A OH no hydrogen 2.800 N/A THR 108.A N ASP 104.A O no hydrogen 2.960 N/A THR 108.A OG1 ASP 104.A O no hydrogen 2.893 N/A ALA 109.A N GLU 105.A O no hydrogen 2.881 N/A THR 110.A N GLN 106.A O no hydrogen 3.115 N/A THR 110.A OG1 GLN 106.A O no hydrogen 2.738 N/A THR 110.A OG1 SER 258.A OG no hydrogen 3.337 N/A TYR 111.A N ARG 107.A O no hydrogen 3.094 N/A ILE 112.A N THR 108.A O no hydrogen 2.948 N/A THR 113.A N ALA 109.A O no hydrogen 2.963 N/A THR 113.A OG1 ALA 109.A O no hydrogen 3.039 N/A THR 113.A OG1 SER 257.A OG no hydrogen 2.784 N/A GLU 114.A N THR 110.A O no hydrogen 2.987 N/A LEU 115.A N TYR 111.A O no hydrogen 2.881 N/A ALA 116.A N ILE 112.A O no hydrogen 2.818 N/A ASN 117.A N THR 113.A O no hydrogen 2.882 N/A ALA 118.A N GLU 114.A O no hydrogen 3.075 N/A LEU 119.A N LEU 115.A O no hydrogen 2.800 N/A SER 120.A N ALA 116.A O no hydrogen 2.816 N/A TYR 121.A N ASN 117.A O no hydrogen 3.279 N/A CYS 122.A N ALA 118.A O no hydrogen 3.125 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.484 N/A HIS 123.A N LEU 119.A O no hydrogen 2.885 N/A HIS 123.A NE2 ASP 181.A OD2 no hydrogen 2.938 N/A SER 124.A N SER 120.A O no hydrogen 3.063 N/A SER 124.A OG TYR 121.A O no hydrogen 2.740 N/A LYS 125.A N CYS 122.A O no hydrogen 3.072 N/A LYS 125.A NZ HIS 62.A O no hydrogen 3.053 N/A LYS 125.A NZ TYR 121.A OH no hydrogen 3.265 N/A ARG 126.A N HIS 123.A O no hydrogen 2.940 N/A ARG 126.A NH1 GLU 178.A OE2 no hydrogen 3.048 N/A VAL 127.A N CYS 122.A O no hydrogen 2.815 N/A ILE 128.A N VAL 154.A O no hydrogen 2.877 N/A HIS 129.A N ASP 181.A OD2 no hydrogen 2.924 N/A HIS 129.A NE2 ALA 148.A O no hydrogen 2.808 N/A ARG 130.A N ASP 181.A OD1 no hydrogen 2.995 N/A ARG 130.A NE TRP 152.A O no hydrogen 2.800 N/A ARG 130.A NH2 TRP 152.A O no hydrogen 2.898 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 2.962 N/A LYS 133.A NZ ASP 131.A OD1 no hydrogen 2.945 N/A ASN 136.A N LYS 133.A O no hydrogen 3.016 N/A LEU 137.A N PRO 134.A O no hydrogen 3.333 N/A LEU 138.A N LYS 146.A O no hydrogen 2.807 N/A LEU 139.A N GLY 91.A O no hydrogen 2.777 N/A GLY 140.A N GLU 144.A O no hydrogen 2.930 N/A ALA 142.A N GLU 144.A OE1 no hydrogen 3.019 N/A GLY 143.A N GLY 140.A O no hydrogen 2.968 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.685 N/A LEU 145.A N GLU 114.A OE1 no hydrogen 2.997 N/A LYS 146.A N LEU 138.A O no hydrogen 2.690 N/A LYS 146.A NZ PRO 66.A O no hydrogen 3.012 N/A LYS 146.A NZ GLU 86.A OE2 no hydrogen 3.018 N/A ILE 147.A N ASN 67.A O no hydrogen 2.884 N/A ALA 148.A N ASN 136.A O no hydrogen 2.804 N/A GLY 151.A N ASP 149.A OD1 no hydrogen 3.255 N/A SER 153.A N PHE 150.A O no hydrogen 3.012 N/A SER 153.A OG PHE 150.A O no hydrogen 2.863 N/A VAL 154.A N ILE 128.A O no hydrogen 3.033 N/A ALA 156.A N ARG 126.A O no hydrogen 2.783 N/A SER 158.A N HIS 176.A O no hydrogen 3.001 N/A SER 158.A OG SER 159.A O no hydrogen 3.140 N/A THR 162.A OG1 ASP 164.A OD2 no hydrogen 2.786 N/A ASP 164.A N THR 162.A OG1 no hydrogen 3.389 N/A TYR 165.A OH GLU 191.A OE1 no hydrogen 2.529 N/A TYR 165.A OH GLU 191.A OE2 no hydrogen 3.364 N/A LEU 166.A N LEU 163.A O no hydrogen 2.907 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.876 N/A MET 170.A N PRO 167.A O no hydrogen 3.133 N/A ILE 171.A N PRO 167.A O no hydrogen 3.071 N/A GLU 172.A N PRO 168.A O no hydrogen 2.938 N/A GLY 173.A N MET 170.A O no hydrogen 3.145 N/A ARG 174.A N GLU 169.A O no hydrogen 2.906 N/A ARG 174.A NE GLU 172.A OE1 no hydrogen 2.903 N/A HIS 176.A N SER 158.A O no hydrogen 3.378 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.866 N/A LYS 179.A N ASP 177.A OD1 no hydrogen 3.063 N/A LYS 179.A NZ ARG 241.A O no hydrogen 2.862 N/A VAL 180.A N ASP 177.A O no hydrogen 3.273 N/A ASP 181.A N GLU 178.A O no hydrogen 3.102 N/A LEU 182.A N LYS 179.A O no hydrogen 3.100 N/A TRP 183.A N LYS 179.A O no hydrogen 3.226 N/A SER 184.A N VAL 180.A O no hydrogen 3.210 N/A SER 184.A OG TYR 165.A O no hydrogen 2.819 N/A SER 184.A OG VAL 180.A O no hydrogen 3.393 N/A LEU 185.A N ASP 181.A O no hydrogen 3.069 N/A GLY 186.A N LEU 182.A O no hydrogen 3.234 N/A VAL 187.A N TRP 183.A O no hydrogen 3.029 N/A LEU 188.A N SER 184.A O no hydrogen 2.949 N/A CYS 189.A N LEU 185.A O no hydrogen 2.935 N/A TYR 190.A N GLY 186.A O no hydrogen 3.147 N/A TYR 190.A OH THR 217.A O no hydrogen 2.653 N/A GLU 191.A N VAL 187.A O no hydrogen 2.853 N/A PHE 192.A N LEU 188.A O no hydrogen 2.767 N/A LEU 193.A N CYS 189.A O no hydrogen 3.237 N/A VAL 194.A N TYR 190.A O no hydrogen 2.787 N/A GLY 195.A N GLU 191.A O no hydrogen 2.700 N/A GLU 200.A N PRO 197.A O no hydrogen 3.447 N/A GLN 205.A N GLN 205.A OE1 no hydrogen 2.817 N/A GLU 206.A N THR 203.A OG1 no hydrogen 3.007 N/A THR 207.A N THR 203.A O no hydrogen 3.270 N/A THR 207.A OG1 PHE 199.A O no hydrogen 3.216 N/A THR 207.A OG1 THR 203.A O no hydrogen 3.329 N/A TYR 208.A N TYR 204.A O no hydrogen 2.903 N/A LYS 209.A N GLN 205.A O no hydrogen 3.242 N/A ARG 210.A N GLU 206.A O no hydrogen 3.028 N/A ARG 210.A NH1 PRO 198.A O no hydrogen 2.786 N/A ARG 210.A NH1 GLU 215.A O no hydrogen 2.759 N/A ARG 210.A NH2 GLU 200.A O no hydrogen 2.808 N/A ILE 211.A N THR 207.A O no hydrogen 2.948 N/A SER 212.A N TYR 208.A O no hydrogen 2.959 N/A ARG 213.A N LYS 209.A O no hydrogen 2.975 N/A ARG 213.A NH1 GLU 215.A OE1 no hydrogen 3.090 N/A VAL 214.A N ILE 211.A O no hydrogen 3.108 N/A GLU 215.A N ARG 210.A O no hydrogen 2.807 N/A VAL 222.A N PRO 219.A O no hydrogen 3.368 N/A THR 223.A OG1 GLU 105.A OE1 no hydrogen 2.662 N/A ARG 227.A N THR 223.A O no hydrogen 2.952 N/A ARG 227.A NE VAL 222.A O no hydrogen 2.766 N/A ARG 227.A NH2 VAL 222.A O no hydrogen 3.554 N/A ASP 228.A N GLU 224.A O no hydrogen 2.921 N/A LEU 229.A N GLY 225.A O no hydrogen 3.287 N/A ILE 230.A N ALA 226.A O no hydrogen 3.056 N/A SER 231.A N ARG 227.A O no hydrogen 2.965 N/A SER 231.A OG ARG 227.A O no hydrogen 3.088 N/A ARG 232.A N ASP 228.A O no hydrogen 2.926 N/A ARG 232.A NE ASP 228.A OD2 no hydrogen 3.079 N/A LEU 233.A N LEU 229.A O no hydrogen 3.057 N/A LEU 234.A N ILE 230.A O no hydrogen 2.923 N/A SER 239.A OG ASN 237.A OD1 no hydrogen 3.456 N/A GLN 240.A N ASN 237.A O no hydrogen 3.121 N/A ARG 241.A N PRO 238.A O no hydrogen 3.139 N/A ARG 241.A NE LYS 235.A O no hydrogen 2.786 N/A ARG 241.A NH1 GLU 169.A OE2 no hydrogen 2.738 N/A ARG 241.A NH1 LYS 179.A O no hydrogen 2.972 N/A ARG 241.A NH2 GLU 169.A OE1 no hydrogen 2.811 N/A ARG 241.A NH2 GLU 169.A OE2 no hydrogen 3.483 N/A ARG 241.A NH2 LYS 235.A O no hydrogen 3.085 N/A MET 243.A N GLU 246.A OE1 no hydrogen 3.401 N/A VAL 247.A N MET 243.A O no hydrogen 3.336 N/A LEU 248.A N LEU 244.A O no hydrogen 3.052 N/A GLU 249.A N ARG 245.A O no hydrogen 3.145 N/A HIS 250.A N VAL 247.A O no hydrogen 3.329 N/A HIS 250.A NE2 ASP 228.A OD2 no hydrogen 2.878 N/A TRP 252.A N HIS 250.A ND1 no hydrogen 3.047 N/A TRP 252.A NE1 GLU 105.A OE1 no hydrogen 2.760 N/A THR 254.A N HIS 250.A O no hydrogen 2.954 N/A THR 254.A OG1 HIS 250.A O no hydrogen 3.061 N/A THR 254.A OG1 PRO 251.A O no hydrogen 3.164 N/A ALA 255.A N PRO 251.A O no hydrogen 3.144 N/A ASN 256.A N TRP 252.A O no hydrogen 3.235 N/A ASN 256.A N ILE 253.A O no hydrogen 3.286 N/A SER 257.A N ILE 253.A O no hydrogen 2.786 N/A SER 257.A OG THR 113.A OG1 no hydrogen 2.784 N/A SER 258.A N THR 110.A OG1 no hydrogen 2.974 N/A SER 258.A OG THR 110.A OG1 no hydrogen 3.337 N/A