Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i6q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N VAL 75.A O no hydrogen 2.681 N/A ARG 6.A NE GLU 4.A OE2 no hydrogen 3.170 N/A ARG 6.A NH2 GLU 4.A OE1 no hydrogen 3.297 N/A HIS 7.A N GLU 4.A O no hydrogen 2.976 N/A LEU 8.A N GLU 5.A O no hydrogen 2.945 N/A LYS 9.A N ARG 26.A O no hydrogen 2.928 N/A LYS 9.A NZ ARG 6.A O no hydrogen 2.934 N/A TYR 10.A OH GLN 13.A OE1 no hydrogen 2.867 N/A ILE 11.A N LEU 24.A O no hydrogen 2.852 N/A SER 12.A N LEU 24.A O no hydrogen 3.206 N/A LEU 14.A N VAL 22.A O no hydrogen 2.815 N/A GLY 15.A N VAL 22.A O no hydrogen 3.275 N/A GLY 17.A N GLY 20.A O no hydrogen 3.083 N/A GLY 20.A N GLY 17.A O no hydrogen 3.052 N/A SER 21.A N GLN 42.A O no hydrogen 2.904 N/A VAL 22.A N GLY 15.A O no hydrogen 2.916 N/A GLU 23.A N VAL 40.A O no hydrogen 2.761 N/A LEU 24.A N SER 12.A O no hydrogen 2.848 N/A CYS 25.A N VAL 38.A O no hydrogen 2.981 N/A ARG 26.A N LYS 9.A O no hydrogen 2.783 N/A ARG 26.A NH1 GLY 35.A O no hydrogen 2.802 N/A TYR 27.A N ALA 36.A O no hydrogen 2.871 N/A ASP 28.A N HIS 7.A O no hydrogen 2.882 N/A GLY 31.A N ASP 28.A O no hydrogen 2.876 N/A ASN 33.A N ASP 28.A OD1 no hydrogen 2.656 N/A THR 34.A N ASP 32.A OD1 no hydrogen 3.001 N/A THR 34.A OG1 ASP 32.A OD1 no hydrogen 2.515 N/A THR 34.A OG1 ASP 32.A OD2 no hydrogen 3.160 N/A GLY 35.A N ASP 28.A OD2 no hydrogen 2.748 N/A VAL 38.A N CYS 25.A O no hydrogen 2.921 N/A ALA 39.A N MET 82.A O no hydrogen 2.966 N/A VAL 40.A N GLU 23.A O no hydrogen 2.849 N/A LYS 41.A N LEU 80.A O no hydrogen 2.796 N/A LYS 41.A NZ GLU 57.A OE1 no hydrogen 3.140 N/A LYS 41.A NZ GLU 57.A OE2 no hydrogen 2.668 N/A GLN 42.A N SER 21.A O no hydrogen 3.025 N/A GLN 42.A NE2 SER 21.A OG no hydrogen 3.126 N/A GLN 42.A NE2 VAL 40.A O no hydrogen 3.039 N/A GLN 44.A N PHE 19.A O no hydrogen 2.911 N/A GLN 51.A N GLY 47.A O no hydrogen 2.887 N/A ARG 52.A N PRO 48.A O no hydrogen 3.171 N/A ASP 53.A N ASP 49.A O no hydrogen 3.033 N/A PHE 54.A N GLN 50.A O no hydrogen 2.713 N/A GLN 55.A N GLN 51.A O no hydrogen 2.929 N/A ARG 56.A N ARG 52.A O no hydrogen 3.207 N/A GLU 57.A N ASP 53.A O no hydrogen 3.004 N/A ILE 58.A N PHE 54.A O no hydrogen 3.130 N/A GLN 59.A N GLN 55.A O no hydrogen 3.156 N/A ILE 60.A N ARG 56.A O no hydrogen 2.863 N/A LEU 61.A N GLU 57.A O no hydrogen 2.874 N/A LYS 62.A N ILE 58.A O no hydrogen 2.876 N/A ALA 63.A N ILE 60.A O no hydrogen 3.236 N/A LEU 64.A N LEU 61.A O no hydrogen 3.078 N/A HIS 65.A N TYR 119.A OH no hydrogen 2.951 N/A PHE 68.A N SER 66.A OG no hydrogen 2.897 N/A ILE 69.A N SER 66.A O no hydrogen 3.230 N/A VAL 70.A N ILE 145.A O no hydrogen 2.958 N/A LYS 71.A N GLU 83.A OE2 no hydrogen 2.810 N/A ARG 73.A N VAL 81.A O no hydrogen 2.706 N/A GLY 74.A N VAL 81.A O no hydrogen 3.075 N/A VAL 75.A N THR 1.A O no hydrogen 2.993 N/A SER 76.A N ARG 79.A O no hydrogen 2.964 N/A SER 76.A OG PHE 3.A O no hydrogen 2.752 N/A ARG 79.A N SER 76.A O no hydrogen 2.760 N/A LEU 80.A N LYS 41.A O no hydrogen 2.773 N/A VAL 81.A N GLY 74.A O no hydrogen 2.774 N/A MET 82.A N ALA 39.A O no hydrogen 2.804 N/A GLU 83.A N LYS 71.A O no hydrogen 3.020 N/A GLY 88.A N LEU 85.A O no hydrogen 2.877 N/A LEU 90.A N ILE 135.A O no hydrogen 2.700 N/A ARG 91.A N ALA 132.A O no hydrogen 3.227 N/A PHE 93.A N CYS 89.A O no hydrogen 2.943 N/A LEU 94.A N LEU 90.A O no hydrogen 2.807 N/A GLN 95.A N ARG 91.A O no hydrogen 3.321 N/A GLN 95.A NE2 CYS 204.A O no hydrogen 2.860 N/A ARG 96.A N ASP 92.A O no hydrogen 3.008 N/A HIS 97.A N PHE 93.A O no hydrogen 2.814 N/A ARG 100.A N HIS 97.A O no hydrogen 3.031 N/A LEU 101.A N ARG 98.A O no hydrogen 3.132 N/A SER 104.A OG SER 277.A OG no hydrogen 2.652 N/A ARG 105.A N ASP 102.A OD2 no hydrogen 3.136 N/A ARG 105.A NH1 GLU 140.A O no hydrogen 3.125 N/A LEU 106.A N ASP 102.A O no hydrogen 3.172 N/A LEU 107.A N ALA 103.A O no hydrogen 2.957 N/A LEU 108.A N SER 104.A O no hydrogen 2.891 N/A TYR 109.A N ARG 105.A O no hydrogen 3.001 N/A TYR 109.A OH GLU 140.A O no hydrogen 2.514 N/A SER 110.A N LEU 106.A O no hydrogen 2.951 N/A SER 110.A OG LEU 106.A O no hydrogen 2.806 N/A SER 111.A N LEU 107.A O no hydrogen 2.866 N/A SER 111.A OG ASP 271.A OD1 no hydrogen 2.555 N/A GLN 112.A N LEU 108.A O no hydrogen 2.987 N/A GLN 112.A NE2 ALA 141.A O no hydrogen 2.900 N/A ILE 113.A N TYR 109.A O no hydrogen 2.976 N/A CYS 114.A N SER 110.A O no hydrogen 2.940 N/A CYS 114.A SG PHE 263.A O no hydrogen 3.149 N/A LYS 115.A N SER 111.A O no hydrogen 2.958 N/A GLY 116.A N GLN 112.A O no hydrogen 2.921 N/A MET 117.A N ILE 113.A O no hydrogen 2.812 N/A GLU 118.A N CYS 114.A O no hydrogen 2.748 N/A TYR 119.A N LYS 115.A O no hydrogen 3.032 N/A LEU 120.A N GLY 116.A O no hydrogen 2.990 N/A GLY 121.A N MET 117.A O no hydrogen 2.833 N/A SER 122.A N GLU 118.A O no hydrogen 2.990 N/A SER 122.A OG TYR 119.A O no hydrogen 2.637 N/A ARG 123.A N TYR 119.A O no hydrogen 3.107 N/A ARG 123.A N LEU 120.A O no hydrogen 3.041 N/A ARG 124.A N GLY 121.A O no hydrogen 2.947 N/A ARG 124.A NE LEU 154.A O no hydrogen 3.128 N/A ARG 124.A NE PRO 155.A O no hydrogen 3.306 N/A ARG 124.A NH2 PRO 155.A O no hydrogen 2.721 N/A ARG 124.A NH2 ASP 159.A OD1 no hydrogen 3.119 N/A CYS 125.A N LEU 120.A O no hydrogen 2.914 N/A CYS 125.A SG VAL 126.A O no hydrogen 3.908 N/A VAL 126.A N LYS 152.A O no hydrogen 2.826 N/A HIS 127.A N ASP 189.A OD1 no hydrogen 2.824 N/A HIS 127.A NE2 ALA 146.A O no hydrogen 2.845 N/A ARG 128.A N ASP 189.A OD2 no hydrogen 2.995 N/A ARG 128.A NH1 LEU 150.A O no hydrogen 2.951 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 2.890 N/A ALA 132.A N GLU 199.A OE2 no hydrogen 2.870 N/A ASN 134.A N ALA 131.A O no hydrogen 2.891 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.869 N/A ILE 135.A N ALA 132.A O no hydrogen 3.275 N/A LEU 136.A N LYS 144.A O no hydrogen 2.736 N/A VAL 137.A N GLY 88.A O no hydrogen 2.865 N/A GLU 138.A N HIS 142.A O no hydrogen 2.892 N/A SER 139.A N HIS 142.A O no hydrogen 3.230 N/A ALA 141.A N SER 139.A OG no hydrogen 3.266 N/A HIS 142.A N SER 139.A O no hydrogen 3.096 N/A HIS 142.A NE2 ASP 67.A O no hydrogen 2.603 N/A VAL 143.A N GLN 112.A OE1 no hydrogen 2.873 N/A LYS 144.A N LEU 136.A O no hydrogen 2.812 N/A LYS 144.A NZ GLU 83.A OE1 no hydrogen 3.398 N/A LYS 144.A NZ GLU 83.A OE2 no hydrogen 2.671 N/A ILE 145.A N PHE 68.A O no hydrogen 2.837 N/A ALA 146.A N ASN 134.A O no hydrogen 2.886 N/A ALA 151.A N PHE 148.A O no hydrogen 3.142 N/A LYS 152.A N VAL 126.A O no hydrogen 2.910 N/A LEU 154.A N ARG 124.A O no hydrogen 2.817 N/A LYS 158.A N PRO 155.A O no hydrogen 3.399 N/A TYR 161.A N PHE 184.A O no hydrogen 2.764 N/A VAL 163.A N ASN 182.A O no hydrogen 2.943 N/A SER 169.A N TYR 174.A OH no hydrogen 2.978 N/A SER 169.A OG ASP 129.A OD1 no hydrogen 3.268 N/A TRP 173.A NE1 GLU 199.A OE2 no hydrogen 2.769 N/A TYR 174.A N ILE 171.A O no hydrogen 3.319 N/A GLU 177.A N GLU 177.A OE2 no hydrogen 2.711 N/A SER 178.A N ALA 175.A O no hydrogen 2.868 N/A SER 178.A OG ILE 183.A O no hydrogen 2.736 N/A LEU 179.A N ALA 175.A O no hydrogen 2.931 N/A SER 180.A N PRO 176.A O no hydrogen 2.847 N/A SER 180.A OG PRO 176.A O no hydrogen 3.193 N/A SER 180.A OG ASP 181.A OD2 no hydrogen 2.859 N/A ASP 181.A N GLU 177.A O no hydrogen 2.974 N/A ASN 182.A N SER 178.A O no hydrogen 2.972 N/A ASN 182.A ND2 SER 178.A O no hydrogen 3.260 N/A ILE 183.A N GLU 177.A O no hydrogen 3.277 N/A PHE 184.A N TYR 161.A O no hydrogen 2.807 N/A SER 185.A N SER 188.A OG no hydrogen 2.861 N/A ARG 186.A NH1 GLY 121.A O no hydrogen 2.900 N/A GLN 187.A N SER 185.A OG no hydrogen 2.988 N/A GLN 187.A NE2 PRO 257.A O no hydrogen 3.214 N/A GLN 187.A NE2 PRO 261.A O no hydrogen 3.428 N/A SER 188.A N SER 185.A O no hydrogen 3.077 N/A SER 188.A N SER 185.A OG no hydrogen 3.061 N/A SER 188.A OG SER 185.A O no hydrogen 2.902 N/A ASP 189.A N SER 185.A O no hydrogen 3.150 N/A VAL 190.A N ARG 186.A O no hydrogen 3.167 N/A TRP 191.A N GLN 187.A O no hydrogen 3.179 N/A SER 192.A N SER 188.A O no hydrogen 3.139 N/A SER 192.A OG TRP 173.A O no hydrogen 2.637 N/A SER 192.A OG SER 188.A O no hydrogen 3.451 N/A PHE 193.A N ASP 189.A O no hydrogen 2.835 N/A GLY 194.A N VAL 190.A O no hydrogen 3.108 N/A VAL 195.A N TRP 191.A O no hydrogen 3.328 N/A VAL 196.A N SER 192.A O no hydrogen 2.864 N/A LEU 197.A N PHE 193.A O no hydrogen 2.765 N/A TYR 198.A N GLY 194.A O no hydrogen 2.978 N/A TYR 198.A OH CYS 208.A O no hydrogen 2.763 N/A GLU 199.A N VAL 195.A O no hydrogen 2.902 N/A LEU 200.A N VAL 196.A O no hydrogen 2.871 N/A PHE 201.A N LEU 197.A O no hydrogen 2.877 N/A THR 202.A N TYR 198.A O no hydrogen 2.977 N/A THR 202.A OG1 TYR 198.A O no hydrogen 2.992 N/A THR 202.A OG1 GLU 199.A O no hydrogen 3.049 N/A TYR 203.A N LEU 200.A O no hydrogen 2.978 N/A TYR 203.A OH LEU 101.A O no hydrogen 2.671 N/A CYS 204.A N GLU 199.A O no hydrogen 2.810 N/A CYS 204.A SG GLU 199.A O no hydrogen 3.844 N/A CYS 204.A SG GLU 199.A OE1 no hydrogen 3.890 N/A ASP 205.A N THR 202.A O no hydrogen 3.018 N/A SER 207.A N ASP 205.A OD2 no hydrogen 2.830 N/A SER 207.A OG ASP 205.A OD2 no hydrogen 2.693 N/A SER 209.A N LYS 206.A O no hydrogen 3.237 N/A SER 209.A OG LYS 206.A O no hydrogen 3.008 N/A ALA 212.A N SER 209.A OG no hydrogen 3.116 N/A GLU 213.A N SER 209.A O no hydrogen 2.937 N/A PHE 214.A N PRO 210.A O no hydrogen 3.283 N/A ARG 216.A N ALA 212.A O no hydrogen 3.319 N/A ARG 216.A NH1 SER 207.A O no hydrogen 2.947 N/A ARG 216.A NH1 GLU 213.A OE2 no hydrogen 2.934 N/A ARG 216.A NH2 SER 207.A O no hydrogen 3.241 N/A MET 217.A N GLU 213.A O no hydrogen 2.860 N/A ARG 224.A N PRO 220.A O no hydrogen 2.985 N/A LEU 225.A N ALA 221.A O no hydrogen 2.740 N/A LEU 226.A N LEU 222.A O no hydrogen 2.997 N/A GLU 227.A N SER 223.A O no hydrogen 3.016 N/A LEU 228.A N ARG 224.A O no hydrogen 2.982 N/A LEU 229.A N LEU 225.A O no hydrogen 2.967 N/A GLU 230.A N LEU 226.A O no hydrogen 2.862 N/A GLU 231.A N GLU 227.A O no hydrogen 2.974 N/A GLY 232.A N LEU 229.A O no hydrogen 3.023 N/A GLN 233.A N LEU 228.A O no hydrogen 2.892 N/A ARG 234.A NE TRP 253.A O no hydrogen 3.090 N/A ARG 234.A NH1 TRP 253.A O no hydrogen 2.884 N/A ARG 234.A NH2 LEU 229.A O no hydrogen 3.025 N/A ARG 234.A NH2 GLN 233.A O no hydrogen 2.814 N/A CYS 241.A N PRO 238.A O no hydrogen 2.830 N/A CYS 241.A SG PRO 242.A O no hydrogen 3.426 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.826 N/A HIS 246.A N PRO 242.A O no hydrogen 3.147 N/A GLU 247.A N ALA 243.A O no hydrogen 2.955 N/A LEU 248.A N GLU 244.A O no hydrogen 3.070 N/A MET 249.A N VAL 245.A O no hydrogen 3.055 N/A LYS 250.A N HIS 246.A O no hydrogen 3.079 N/A LYS 250.A NZ GLU 247.A OE1 no hydrogen 3.550 N/A LYS 250.A NZ GLU 247.A OE2 no hydrogen 3.487 N/A LEU 251.A N GLU 247.A O no hydrogen 3.121 N/A LEU 251.A N LEU 248.A O no hydrogen 3.175 N/A CYS 252.A N LEU 248.A O no hydrogen 3.052 N/A CYS 252.A SG LEU 248.A O no hydrogen 3.397 N/A TRP 253.A N MET 249.A O no hydrogen 3.032 N/A ALA 254.A N LEU 251.A O no hydrogen 3.112 N/A SER 256.A OG GLN 258.A OE1 no hydrogen 2.744 N/A ASP 259.A N SER 256.A O no hydrogen 2.760 N/A ARG 260.A N PRO 257.A O no hydrogen 3.231 N/A ARG 260.A NE ALA 254.A O no hydrogen 2.865 N/A ARG 260.A NH1 GLU 177.A OE2 no hydrogen 2.878 N/A ARG 260.A NH1 ALA 254.A O no hydrogen 3.217 N/A ARG 260.A NH1 PRO 255.A O no hydrogen 3.153 N/A ARG 260.A NH2 GLU 177.A OE1 no hydrogen 2.655 N/A ARG 260.A NH2 GLU 177.A OE2 no hydrogen 3.562 N/A ARG 260.A NH2 GLN 187.A O no hydrogen 2.979 N/A SER 262.A OG SER 264.A OG no hydrogen 3.215 N/A SER 264.A OG SER 262.A OG no hydrogen 3.215 N/A ALA 265.A N SER 262.A OG no hydrogen 3.240 N/A LEU 266.A N SER 262.A O no hydrogen 2.855 N/A GLY 267.A N PHE 263.A O no hydrogen 2.958 N/A GLN 269.A NE2 ALA 265.A O no hydrogen 3.600 N/A LEU 270.A N LEU 266.A O no hydrogen 2.977 N/A ASP 271.A N GLY 267.A O no hydrogen 3.092 N/A MET 272.A N PRO 268.A O no hydrogen 2.903 N/A LEU 273.A N GLN 269.A O no hydrogen 2.959 N/A TRP 274.A N LEU 270.A O no hydrogen 2.746 N/A SER 275.A N ASP 271.A O no hydrogen 2.833 N/A SER 275.A OG ASP 271.A O no hydrogen 3.172 N/A GLY 276.A N MET 272.A O no hydrogen 2.920 N/A GLY 276.A N LEU 273.A O no hydrogen 3.070 N/A SER 277.A OG SER 104.A OG no hydrogen 2.652 N/A SER 277.A OG LEU 273.A O no hydrogen 3.452 N/A SER 277.A OG TRP 274.A O no hydrogen 3.076 N/A