Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3we8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N GLU 3.A OE2 no hydrogen 3.270 N/A GLN 5.A N LEU 2.A O no hydrogen 3.097 N/A TYR 6.A N LEU 2.A O no hydrogen 3.082 N/A GLN 7.A N ILE 24.A O no hydrogen 2.851 N/A GLY 9.A N SER 22.A O no hydrogen 2.667 N/A LEU 12.A N VAL 20.A O no hydrogen 2.660 N/A GLY 13.A N VAL 20.A O no hydrogen 3.365 N/A GLY 15.A N GLY 18.A O no hydrogen 2.895 N/A GLY 18.A N GLY 15.A O no hydrogen 2.915 N/A SER 19.A N HIS 36.A O no hydrogen 3.021 N/A VAL 20.A N GLY 13.A O no hydrogen 2.985 N/A TYR 21.A N ILE 34.A O no hydrogen 2.873 N/A SER 22.A N PRO 10.A O no hydrogen 2.717 N/A GLY 23.A N VAL 32.A O no hydrogen 2.926 N/A ILE 24.A N GLN 7.A O no hydrogen 2.982 N/A ARG 25.A N LEU 30.A O no hydrogen 2.759 N/A ARG 25.A NE ASP 28.A OD1 no hydrogen 2.853 N/A ARG 25.A NH1 ASP 28.A OD2 no hydrogen 2.809 N/A VAL 26.A N GLN 5.A O no hydrogen 2.973 N/A SER 27.A OG ASP 28.A OD1 no hydrogen 3.304 N/A ASP 28.A N ARG 25.A O no hydrogen 3.252 N/A LEU 30.A N ASP 28.A OD1 no hydrogen 3.426 N/A VAL 32.A N GLY 23.A O no hydrogen 2.904 N/A ALA 33.A N LEU 88.A O no hydrogen 2.773 N/A ILE 34.A N TYR 21.A O no hydrogen 2.764 N/A LYS 35.A N LEU 86.A O no hydrogen 2.860 N/A LYS 35.A NZ GLU 57.A OE2 no hydrogen 2.643 N/A LYS 35.A NZ ASP 154.A OD1 no hydrogen 2.696 N/A HIS 36.A N SER 19.A O no hydrogen 2.812 N/A VAL 37.A N PHE 84.A O no hydrogen 2.938 N/A LYS 39.A N ASP 82.A O no hydrogen 2.888 N/A LYS 39.A NZ GLU 79.A OE2 no hydrogen 2.735 N/A LYS 39.A NZ ARG 80.A O no hydrogen 2.945 N/A LYS 39.A NZ PRO 81.A O no hydrogen 3.202 N/A ARG 41.A N GLU 38.A O no hydrogen 2.973 N/A ILE 42.A N LYS 39.A O no hydrogen 3.034 N/A TRP 45.A NE1 ILE 42.A O no hydrogen 3.096 N/A GLY 46.A N VAL 54.A O no hydrogen 2.933 N/A LEU 48.A N THR 52.A O no hydrogen 3.072 N/A GLY 51.A N LEU 48.A O no hydrogen 2.734 N/A THR 52.A N ASN 50.A OD1 no hydrogen 3.330 N/A THR 52.A OG1 ASN 50.A OD1 no hydrogen 2.876 N/A VAL 54.A N GLY 46.A O no hydrogen 3.086 N/A MET 56.A N ASP 44.A O no hydrogen 2.786 N/A VAL 58.A N PRO 55.A O no hydrogen 2.926 N/A VAL 59.A N PRO 55.A O no hydrogen 3.247 N/A LEU 60.A N MET 56.A O no hydrogen 2.892 N/A LEU 61.A N GLU 57.A O no hydrogen 2.922 N/A LYS 62.A N VAL 58.A O no hydrogen 2.970 N/A LYS 63.A N VAL 59.A O no hydrogen 3.190 N/A LYS 63.A NZ CYS 129.A O no hydrogen 3.182 N/A VAL 64.A N LEU 60.A O no hydrogen 3.161 N/A VAL 64.A N LEU 61.A O no hydrogen 3.134 N/A SER 65.A N LYS 62.A O no hydrogen 3.444 N/A SER 65.A OG LEU 61.A O no hydrogen 2.613 N/A VAL 71.A N SER 69.A OG no hydrogen 3.159 N/A ILE 72.A N LEU 152.A O no hydrogen 3.028 N/A ARG 73.A N GLU 89.A OE1 no hydrogen 2.858 N/A ARG 73.A NE SER 65.A O no hydrogen 2.781 N/A ARG 73.A NH1 SER 65.A O no hydrogen 3.083 N/A LEU 74.A N SER 65.A OG no hydrogen 2.930 N/A LEU 75.A N ILE 87.A O no hydrogen 2.703 N/A ASP 76.A N ILE 87.A O no hydrogen 3.396 N/A PHE 78.A N VAL 85.A O no hydrogen 2.817 N/A ARG 80.A N SER 83.A O no hydrogen 2.787 N/A ARG 80.A NH2 GLU 3.A OE1 no hydrogen 3.219 N/A PHE 84.A N VAL 37.A O no hydrogen 2.904 N/A VAL 85.A N PHE 78.A O no hydrogen 2.907 N/A LEU 86.A N LYS 35.A O no hydrogen 2.689 N/A ILE 87.A N ASP 76.A O no hydrogen 2.826 N/A LEU 88.A N ALA 33.A O no hydrogen 2.893 N/A GLU 89.A N ARG 73.A O no hydrogen 3.075 N/A ARG 90.A NE VAL 32.A O no hydrogen 2.853 N/A ARG 90.A NH2 GLY 23.A O no hydrogen 2.955 N/A GLN 95.A N ILE 143.A O no hydrogen 3.084 N/A GLN 95.A NE2 ASP 99.A OD2 no hydrogen 2.502 N/A GLN 95.A NE2 GLU 103.A OE2 no hydrogen 3.253 N/A LEU 97.A N ILE 141.A O no hydrogen 2.955 N/A ASP 99.A N ASP 96.A OD2 no hydrogen 2.929 N/A PHE 100.A N ASP 96.A O no hydrogen 2.930 N/A ILE 101.A N LEU 97.A O no hydrogen 2.847 N/A THR 102.A N PHE 98.A O no hydrogen 2.876 N/A THR 102.A OG1 PHE 98.A O no hydrogen 2.777 N/A GLU 103.A N ASP 99.A O no hydrogen 2.884 N/A ARG 104.A N PHE 100.A O no hydrogen 2.900 N/A ARG 104.A NH1 HIS 271.A O no hydrogen 3.083 N/A ARG 104.A NH2 HIS 271.A O no hydrogen 2.950 N/A GLY 105.A N ILE 101.A O no hydrogen 2.680 N/A LEU 107.A N MET 203.A O no hydrogen 2.768 N/A ALA 112.A N GLN 108.A O no hydrogen 2.937 N/A ARG 113.A N GLU 109.A O no hydrogen 2.726 N/A ARG 113.A NE TRP 257.A O no hydrogen 2.628 N/A ARG 113.A NH1 TRP 257.A O no hydrogen 3.382 N/A SER 114.A N GLU 110.A O no hydrogen 3.244 N/A SER 114.A OG THR 267.A OG1 no hydrogen 2.718 N/A PHE 115.A N LEU 111.A O no hydrogen 2.937 N/A PHE 116.A N ALA 112.A O no hydrogen 2.742 N/A TRP 117.A N ARG 113.A O no hydrogen 2.920 N/A GLN 118.A N SER 114.A O no hydrogen 3.116 N/A GLN 118.A NE2 GLY 148.A O no hydrogen 2.943 N/A VAL 119.A N PHE 115.A O no hydrogen 2.983 N/A LEU 120.A N PHE 116.A O no hydrogen 2.819 N/A GLU 121.A N TRP 117.A O no hydrogen 2.922 N/A ALA 122.A N GLN 118.A O no hydrogen 2.988 N/A VAL 123.A N VAL 119.A O no hydrogen 2.842 N/A ARG 124.A N LEU 120.A O no hydrogen 2.862 N/A ARG 124.A NH2 GLN 253.A OE1 no hydrogen 2.878 N/A HIS 125.A N GLU 121.A O no hydrogen 2.921 N/A HIS 125.A NE2 VAL 64.A O no hydrogen 2.790 N/A CYS 126.A N ALA 122.A O no hydrogen 2.986 N/A CYS 126.A SG ALA 122.A O no hydrogen 3.369 N/A HIS 127.A N VAL 123.A O no hydrogen 2.949 N/A ASN 128.A N ARG 124.A O no hydrogen 2.873 N/A CYS 129.A N HIS 125.A O no hydrogen 2.989 N/A CYS 129.A SG LYS 63.A O no hydrogen 3.409 N/A CYS 129.A SG HIS 125.A O no hydrogen 3.334 N/A GLY 130.A N HIS 127.A O no hydrogen 2.998 N/A VAL 131.A N CYS 126.A O no hydrogen 2.845 N/A LEU 132.A N ALA 159.A O no hydrogen 2.842 N/A HIS 133.A NE2 ILE 153.A O no hydrogen 2.843 N/A ARG 134.A NE SER 157.A O no hydrogen 2.822 N/A ARG 134.A NH1 SER 157.A O no hydrogen 3.149 N/A ARG 134.A NH1 GLY 158.A O no hydrogen 3.222 N/A ARG 134.A NH1 ASP 168.A OD2 no hydrogen 3.403 N/A ARG 134.A NH2 ASP 168.A OD1 no hydrogen 3.540 N/A ARG 134.A NH2 ASP 168.A OD2 no hydrogen 3.132 N/A ARG 134.A NH2 TYR 186.A OH no hydrogen 3.058 N/A ASP 135.A N HIS 133.A ND1 no hydrogen 2.901 N/A LYS 137.A NZ GLU 139.A OE1 no hydrogen 3.213 N/A LYS 137.A NZ THR 172.A OG1 no hydrogen 2.711 N/A ASN 140.A N LYS 137.A O no hydrogen 2.954 N/A ASN 140.A ND2 ASP 135.A O no hydrogen 2.903 N/A ASN 140.A ND2 ASP 135.A OD1 no hydrogen 3.055 N/A ILE 141.A N ASP 138.A O no hydrogen 3.221 N/A LEU 142.A N LYS 151.A O no hydrogen 2.795 N/A ILE 143.A N GLN 95.A O no hydrogen 2.772 N/A ASP 144.A N GLU 149.A O no hydrogen 2.837 N/A LEU 145.A N PRO 93.A O no hydrogen 3.181 N/A ASN 146.A N ASP 144.A OD2 no hydrogen 3.080 N/A ARG 147.A N ASP 144.A OD2 no hydrogen 2.829 N/A ARG 147.A NE GLU 149.A OE1 no hydrogen 3.404 N/A ARG 147.A NE GLU 149.A OE2 no hydrogen 3.158 N/A ARG 147.A NH2 GLU 149.A OE2 no hydrogen 2.866 N/A GLY 148.A N ASP 144.A O no hydrogen 2.719 N/A LEU 150.A N GLN 118.A OE1 no hydrogen 2.894 N/A LYS 151.A N LEU 142.A O no hydrogen 2.841 N/A LYS 151.A NZ SER 69.A O no hydrogen 3.008 N/A LEU 152.A N GLY 70.A O no hydrogen 2.888 N/A ILE 153.A N ASN 140.A O no hydrogen 3.011 N/A SER 157.A OG ASP 170.A O no hydrogen 3.560 N/A GLY 158.A N PHE 155.A O no hydrogen 2.842 N/A ALA 159.A N LEU 132.A O no hydrogen 2.897 N/A LEU 161.A N GLY 130.A O no hydrogen 2.733 N/A LYS 162.A NZ VAL 165.A O no hydrogen 3.206 N/A TYR 166.A N TYR 186.A O no hydrogen 2.792 N/A TYR 166.A OH LEU 160.A O no hydrogen 2.734 N/A THR 172.A N ASP 135.A OD2 no hydrogen 2.940 N/A THR 172.A OG1 ASP 135.A OD2 no hydrogen 2.583 N/A ARG 173.A NE ASP 213.A OD2 no hydrogen 3.014 N/A ARG 173.A NH2 ASP 213.A OD1 no hydrogen 3.025 N/A TYR 175.A N THR 172.A O no hydrogen 3.082 N/A SER 176.A N ARG 173.A O no hydrogen 2.880 N/A SER 176.A OG ARG 173.A O no hydrogen 2.605 N/A GLU 179.A N GLU 179.A OE2 no hydrogen 2.646 N/A TRP 180.A N PRO 177.A O no hydrogen 2.944 N/A ILE 181.A N PRO 177.A O no hydrogen 3.229 N/A ARG 182.A N PRO 178.A O no hydrogen 2.917 N/A ARG 182.A NH2 TYR 183.A OH no hydrogen 2.657 N/A TYR 183.A N GLU 179.A O no hydrogen 2.901 N/A HIS 184.A N TRP 180.A O no hydrogen 2.763 N/A TYR 186.A N TYR 166.A O no hydrogen 3.122 N/A TYR 186.A OH ASP 168.A O no hydrogen 2.565 N/A ARG 189.A NH1.A ASP 163.A OD2 no hydrogen 2.864 N/A ARG 189.A NH2.A ASP 163.A OD2 no hydrogen 3.170 N/A SER 190.A OG HIS 187.A O no hydrogen 3.503 N/A ALA 191.A N HIS 187.A O no hydrogen 3.098 N/A ALA 192.A N GLY 188.A O no hydrogen 2.963 N/A VAL 193.A N ARG 189.A O no hydrogen 2.907 N/A TRP 194.A N SER 190.A O no hydrogen 3.148 N/A SER 195.A N ALA 191.A O no hydrogen 3.100 N/A SER 195.A OG ALA 192.A O no hydrogen 2.758 N/A LEU 196.A N ALA 192.A O no hydrogen 2.977 N/A GLY 197.A N VAL 193.A O no hydrogen 2.885 N/A ILE 198.A N TRP 194.A O no hydrogen 3.048 N/A LEU 199.A N SER 195.A O no hydrogen 2.926 N/A LEU 200.A N LEU 196.A O no hydrogen 2.896 N/A TYR 201.A N GLY 197.A O no hydrogen 3.039 N/A TYR 201.A OH PHE 222.A O no hydrogen 2.531 N/A ASP 202.A N ILE 198.A O no hydrogen 2.926 N/A MET 203.A N LEU 199.A O no hydrogen 2.908 N/A VAL 204.A N LEU 200.A O no hydrogen 3.086 N/A CYS 205.A N TYR 201.A O no hydrogen 2.762 N/A GLY 206.A N ASP 202.A O no hydrogen 2.709 N/A ILE 208.A N ASP 207.A OD1 no hydrogen 2.741 N/A GLU 211.A N GLU 215.A OE1 no hydrogen 2.673 N/A HIS 212.A N GLU 215.A OE1 no hydrogen 3.027 N/A GLU 215.A N HIS 212.A O no hydrogen 2.999 N/A ILE 216.A N HIS 212.A O no hydrogen 3.159 N/A ILE 217.A N ASP 213.A O no hydrogen 3.007 N/A GLY 218.A N GLU 214.A O no hydrogen 3.122 N/A GLY 219.A N GLU 215.A O no hydrogen 3.002 N/A ARG 224.A NE TYR 201.A OH no hydrogen 3.024 N/A SER 228.A N GLU 109.A OE1 no hydrogen 2.778 N/A SER 228.A OG GLU 109.A OE1 no hydrogen 3.345 N/A SER 228.A OG GLU 109.A OE2 no hydrogen 2.537 N/A SER 229.A OG.B GLU 230.A OE2.A no hydrogen 3.444 N/A GLU 230.A N GLU 230.A OE2.A no hydrogen 2.730 N/A CYS 231.A N SER 228.A OG no hydrogen 3.296 N/A GLN 232.A N SER 228.A O no hydrogen 2.957 N/A GLN 232.A NE2 VAL 227.A O no hydrogen 3.474 N/A HIS 233.A N SER 229.A O no hydrogen 2.966 N/A HIS 233.A ND1 HIS 255.A NE2 no hydrogen 2.937 N/A LEU 234.A N GLU 230.A O no hydrogen 3.076 N/A ILE 235.A N CYS 231.A O no hydrogen 2.968 N/A ARG 236.A N GLN 232.A O no hydrogen 2.889 N/A ARG 236.A NH1 VAL 221.A O no hydrogen 2.833 N/A ARG 236.A NH2 GLN 232.A OE1 no hydrogen 2.734 N/A TRP 237.A N HIS 233.A O no hydrogen 2.912 N/A CYS 238.A N LEU 234.A O no hydrogen 2.945 N/A CYS 238.A SG LEU 234.A O no hydrogen 3.459 N/A LEU 239.A N ILE 235.A O no hydrogen 2.968 N/A ALA 240.A N TRP 237.A O no hydrogen 3.191 N/A ARG 242.A NE.B SER 244.A OG no hydrogen 2.613 N/A ASP 245.A N ARG 242.A O no hydrogen 2.913 N/A ARG 246.A N PRO 243.A O no hydrogen 3.114 N/A ARG 246.A NE ALA 240.A O no hydrogen 2.763 N/A ARG 246.A NH1 GLU 179.A OE2 no hydrogen 2.839 N/A ARG 246.A NH1 ALA 240.A O no hydrogen 3.061 N/A ARG 246.A NH2 GLU 179.A OE1 no hydrogen 2.891 N/A ARG 246.A NH2 SER 190.A O no hydrogen 2.982 N/A THR 248.A N GLU 251.A OE2 no hydrogen 2.876 N/A THR 248.A OG1 GLU 251.A OE2 no hydrogen 3.443 N/A GLU 251.A N THR 248.A OG1 no hydrogen 2.966 N/A ILE 252.A N THR 248.A O no hydrogen 2.877 N/A GLN 253.A N PHE 249.A O no hydrogen 2.975 N/A GLN 253.A NE2 GLU 121.A OE1 no hydrogen 2.734 N/A ASN 254.A N GLU 250.A O no hydrogen 2.979 N/A HIS 255.A N ILE 252.A O no hydrogen 3.057 N/A HIS 255.A NE2 HIS 233.A ND1 no hydrogen 2.937 N/A TRP 257.A N HIS 255.A ND1 no hydrogen 2.956 N/A TRP 257.A NE1 GLU 109.A OE2 no hydrogen 2.809 N/A MET 258.A N HIS 255.A O no hydrogen 2.854 N/A GLN 259.A N PRO 256.A O no hydrogen 3.315 N/A GLN 259.A NE2 GLN 253.A O no hydrogen 3.047 N/A GLN 259.A NE2 HIS 255.A O no hydrogen 2.857 N/A LEU 263.A N GLU 266.A OE1 no hydrogen 2.934 N/A GLN 265.A NE2 ASN 146.A O no hydrogen 3.306 N/A THR 267.A N LEU 263.A O no hydrogen 2.916 N/A THR 267.A OG1 SER 114.A OG no hydrogen 2.718 N/A THR 267.A OG1 LEU 263.A O no hydrogen 2.757 N/A ALA 268.A N PRO 264.A O no hydrogen 2.954 N/A GLU 269.A N GLN 265.A O no hydrogen 2.954 N/A ILE 270.A N GLU 266.A O no hydrogen 2.953 N/A HIS 271.A N THR 267.A O no hydrogen 2.913 N/A HIS 271.A NE2 GLU 110.A OE1 no hydrogen 2.726 N/A LEU 272.A N ALA 268.A O no hydrogen 2.792 N/A HIS 273.A N ALA 268.A O no hydrogen 2.694 N/A HIS 273.A NE2 ASN 146.A O no hydrogen 2.866 N/A