Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4h1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 ARG 249.A O no hydrogen 2.562 N/A GLU 5.A N HIS 3.A ND1 no hydrogen 2.892 N/A GLN 7.A N GLY 4.A O no hydrogen 3.392 N/A TYR 8.A OH MET 194.A O no hydrogen 2.221 N/A LEU 9.A N GLU 5.A O no hydrogen 3.101 N/A GLY 10.A N LEU 6.A O no hydrogen 3.180 N/A GLN 11.A N GLN 7.A O no hydrogen 2.963 N/A ILE 12.A N TYR 8.A O no hydrogen 3.196 N/A GLN 13.A N LEU 9.A O no hydrogen 3.026 N/A HIS 14.A N GLY 10.A O no hydrogen 3.109 N/A ILE 15.A N GLN 11.A O no hydrogen 3.239 N/A LEU 16.A N ILE 12.A O no hydrogen 2.871 N/A ARG 17.A N GLN 13.A O no hydrogen 2.874 N/A CYS 18.A N HIS 14.A O no hydrogen 2.599 N/A GLY 19.A N ILE 15.A O no hydrogen 2.983 N/A VAL 20.A N SER 32.A O no hydrogen 2.930 N/A LYS 22.A N THR 30.A O no hydrogen 2.867 N/A LYS 22.A NZ ASP 229.A OD1 no hydrogen 3.065 N/A ASP 24.A N THR 28.A O no hydrogen 2.303 N/A THR 26.A N ASP 24.A OD1 no hydrogen 2.601 N/A THR 26.A OG1 ASP 24.A OD1 no hydrogen 2.800 N/A THR 26.A OG1 THR 28.A OG1 no hydrogen 2.804 N/A THR 28.A OG1 THR 26.A OG1 no hydrogen 2.804 N/A GLY 29.A N LYS 22.A O no hydrogen 3.499 N/A THR 30.A N LYS 22.A O no hydrogen 2.909 N/A THR 30.A OG1 LYS 22.A O no hydrogen 2.664 N/A LEU 31.A N ILE 232.A O no hydrogen 2.691 N/A SER 32.A N VAL 20.A O no hydrogen 2.495 N/A SER 32.A OG ASP 229.A OD2 no hydrogen 2.721 N/A VAL 33.A N ALA 230.A O no hydrogen 2.696 N/A GLY 35.A N GLY 228.A O no hydrogen 2.808 N/A MET 36.A N LEU 227.A O no hydrogen 3.075 N/A GLN 37.A NE2 THR 226.A OG1 no hydrogen 2.969 N/A ALA 38.A N HIS 225.A O no hydrogen 2.957 N/A ARG 39.A N GLN 7.A OE1 no hydrogen 2.891 N/A TYR 40.A N PHE 223.A O no hydrogen 2.802 N/A LEU 42.A N GLY 221.A O no hydrogen 2.661 N/A ARG 43.A N SER 41.A OG no hydrogen 3.256 N/A ARG 43.A NE GLU 182.A OE2 no hydrogen 2.624 N/A ARG 43.A NH1 ASP 222.A OD1 no hydrogen 2.942 N/A ARG 43.A NH1 ASP 222.A OD2 no hydrogen 2.963 N/A ARG 43.A NH2 ASP 222.A OD2 no hydrogen 2.848 N/A PHE 46.A N PRO 252.A O no hydrogen 3.190 N/A LEU 48.A N PHE 46.A O no hydrogen 2.629 N/A THR 50.A N GLU 5.A OE1 no hydrogen 3.011 N/A THR 50.A N GLU 5.A OE2 no hydrogen 2.717 N/A THR 50.A OG1 GLU 5.A OE2 no hydrogen 2.762 N/A THR 50.A OG1 ARG 249.A O no hydrogen 3.413 N/A THR 51.A N GLU 5.A OE1 no hydrogen 2.922 N/A THR 51.A OG1 GLU 5.A OE1 no hydrogen 2.845 N/A LYS 52.A NZ TYR 8.A OH no hydrogen 2.390 N/A LYS 52.A NZ MET 194.A O no hydrogen 3.440 N/A LYS 52.A NZ GLY 195.A O no hydrogen 2.701 N/A VAL 54.A N TYR 276.A OH no hydrogen 3.271 N/A LYS 57.A NZ LYS 79.A O no hydrogen 3.531 N/A VAL 59.A N PHE 55.A O no hydrogen 2.941 N/A LEU 60.A N TRP 56.A O no hydrogen 2.733 N/A GLU 61.A N LYS 57.A O no hydrogen 3.041 N/A GLU 62.A N GLY 58.A O no hydrogen 3.072 N/A LEU 63.A N VAL 59.A O no hydrogen 3.321 N/A LEU 64.A N LEU 60.A O no hydrogen 3.348 N/A TRP 65.A N GLU 61.A O no hydrogen 3.318 N/A PHE 66.A N GLU 62.A O no hydrogen 2.832 N/A ILE 67.A N LEU 63.A O no hydrogen 2.688 N/A LYS 68.A N LEU 64.A O no hydrogen 2.731 N/A GLY 69.A N PHE 66.A O no hydrogen 2.831 N/A SER 70.A N TRP 65.A O no hydrogen 3.256 N/A SER 70.A OG GLU 75.A OE1 no hydrogen 2.491 N/A THR 71.A OG1 GLY 107.A O no hydrogen 2.371 N/A ALA 73.A N GLY 104.A O no hydrogen 3.377 N/A GLU 75.A N ASN 72.A O no hydrogen 3.015 N/A GLU 75.A N ASN 72.A OD1 no hydrogen 3.143 N/A LEU 76.A N ALA 73.A O no hydrogen 3.357 N/A SER 77.A N ALA 73.A O no hydrogen 3.029 N/A SER 77.A OG ASP 85.A OD2 no hydrogen 2.701 N/A SER 78.A N LYS 74.A O no hydrogen 3.112 N/A SER 78.A OG GLU 75.A O no hydrogen 3.057 N/A LYS 79.A N LEU 76.A O no hydrogen 2.979 N/A GLY 80.A N SER 77.A O no hydrogen 2.886 N/A LYS 82.A NZ SER 77.A O no hydrogen 2.858 N/A LYS 82.A NZ SER 77.A OG no hydrogen 2.573 N/A TRP 84.A NE1 GLU 62.A OE2 no hydrogen 2.879 N/A ASP 85.A N LYS 82.A O no hydrogen 3.283 N/A ASN 87.A N TRP 84.A O no hydrogen 3.278 N/A ASN 87.A ND2 TRP 84.A O no hydrogen 3.482 N/A GLY 88.A N ASP 85.A O no hydrogen 2.906 N/A ASP 91.A N SER 89.A OG no hydrogen 3.379 N/A LEU 93.A N SER 89.A O no hydrogen 3.187 N/A SER 95.A N ASP 91.A O no hydrogen 3.015 N/A LEU 96.A N LEU 93.A O no hydrogen 3.262 N/A GLY 97.A N ASP 94.A O no hydrogen 3.027 N/A SER 99.A N GLY 97.A O no hydrogen 2.784 N/A ARG 101.A NH1 ASP 105.A O no hydrogen 3.104 N/A ARG 101.A NH1 LEU 164.A O no hydrogen 2.961 N/A ARG 101.A NH2 LEU 164.A O no hydrogen 2.425 N/A GLY 104.A N GLY 88.A O no hydrogen 2.779 N/A ASP 105.A N GLU 102.A O no hydrogen 3.199 N/A GLY 107.A N ASP 105.A OD2 no hydrogen 3.203 N/A VAL 109.A N GLY 107.A O no hydrogen 3.002 N/A TYR 110.A OH HIS 171.A ND1 no hydrogen 2.920 N/A PHE 112.A N VAL 109.A O no hydrogen 3.229 N/A GLN 113.A N VAL 109.A O no hydrogen 2.907 N/A GLN 113.A NE2 PRO 108.A O no hydrogen 3.030 N/A GLN 113.A NE2 ASP 161.A OD1 no hydrogen 3.040 N/A TRP 114.A N TYR 110.A O no hydrogen 2.678 N/A ARG 115.A NE ASP 134.A OD1 no hydrogen 2.498 N/A ARG 115.A NE ASP 134.A OD2 no hydrogen 3.142 N/A ARG 115.A NH1 ASP 264.A OD2 no hydrogen 2.932 N/A ARG 115.A NH2 ASP 134.A OD2 no hydrogen 2.860 N/A ARG 115.A NH2 ASP 264.A OD1 no hydrogen 3.474 N/A HIS 116.A N PHE 112.A O no hydrogen 2.845 N/A HIS 116.A ND1 GLN 131.A O no hydrogen 3.195 N/A PHE 117.A N VAL 133.A O no hydrogen 3.112 N/A ALA 119.A N HIS 116.A O no hydrogen 3.421 N/A TYR 121.A OH ASP 105.A OD2 no hydrogen 2.481 N/A ARG 122.A N TYR 128.A OH no hydrogen 2.763 N/A GLU 125.A N ASP 123.A OD1 no hydrogen 3.113 N/A TYR 128.A OH ASP 123.A O no hydrogen 2.732 N/A SER 129.A N ASP 127.A OD2 no hydrogen 3.300 N/A SER 129.A OG ASP 127.A OD1 no hydrogen 2.972 N/A SER 129.A OG ASP 127.A OD2 no hydrogen 2.523 N/A GLN 131.A N TYR 128.A O no hydrogen 3.036 N/A GLN 135.A NE2 GLN 113.A O no hydrogen 2.608 N/A GLN 135.A NE2 CYS 155.A O no hydrogen 2.797 N/A LEU 136.A N TRP 114.A O no hydrogen 3.355 N/A GLN 137.A N ASP 134.A OD1 no hydrogen 3.244 N/A GLN 137.A NE2 ASP 141.A OD2 no hydrogen 3.082 N/A ARG 138.A N ASP 134.A O no hydrogen 2.944 N/A VAL 139.A N GLN 135.A O no hydrogen 2.847 N/A ILE 140.A N LEU 136.A O no hydrogen 3.231 N/A ASP 141.A N GLN 137.A O no hydrogen 2.753 N/A THR 142.A N ARG 138.A O no hydrogen 2.937 N/A THR 142.A OG1 ARG 138.A O no hydrogen 2.587 N/A ILE 143.A N VAL 139.A O no hydrogen 3.083 N/A LYS 144.A N ILE 140.A O no hydrogen 3.276 N/A THR 145.A N ASP 141.A O no hydrogen 3.015 N/A THR 145.A N THR 142.A O no hydrogen 3.274 N/A THR 145.A OG1 ASP 141.A O no hydrogen 3.294 N/A THR 145.A OG1 THR 142.A O no hydrogen 3.313 N/A ASN 146.A N THR 142.A O no hydrogen 2.758 N/A ASP 149.A N ASN 146.A O no hydrogen 3.129 N/A MET 154.A N CYS 174.A O no hydrogen 2.953 N/A CYS 155.A N GLN 135.A OE1 no hydrogen 3.011 N/A CYS 155.A SG ALA 172.A O no hydrogen 3.792 N/A ALA 156.A N ALA 172.A O no hydrogen 2.747 N/A ARG 160.A N ASN 158.A OD1 no hydrogen 3.230 N/A ASP 161.A N ASN 158.A O no hydrogen 2.728 N/A LEU 162.A N ASN 158.A O no hydrogen 3.082 N/A LEU 164.A N ASP 161.A O no hydrogen 2.891 N/A MET 165.A N LEU 162.A O no hydrogen 3.474 N/A ALA 166.A N LEU 106.A O no hydrogen 3.114 N/A HIS 171.A N TYR 110.A OH no hydrogen 3.439 N/A ALA 172.A N TYR 188.A O no hydrogen 3.105 N/A CYS 174.A N MET 154.A O no hydrogen 3.151 N/A CYS 174.A SG MET 154.A O no hydrogen 3.831 N/A GLN 175.A N GLN 186.A O no hydrogen 2.893 N/A GLN 175.A NE2 ARG 150.A O no hydrogen 3.417 N/A PHE 176.A N ILE 152.A O no hydrogen 2.811 N/A TYR 177.A N SER 184.A O no hydrogen 2.963 N/A VAL 179.A N GLU 182.A O no hydrogen 3.116 N/A GLU 182.A N VAL 179.A O no hydrogen 2.804 N/A LEU 183.A N LYS 219.A O no hydrogen 3.050 N/A SER 184.A N TYR 177.A O no hydrogen 2.758 N/A CYS 185.A N ASP 222.A O no hydrogen 3.034 N/A CYS 185.A SG GLN 175.A O no hydrogen 4.004 N/A GLN 186.A N GLN 175.A O no hydrogen 2.931 N/A GLN 186.A NE2 THR 226.A OG1 no hydrogen 2.824 N/A LEU 187.A N ILE 224.A O no hydrogen 2.886 N/A TYR 188.A N LEU 173.A O no hydrogen 2.963 N/A GLN 189.A N THR 226.A O no hydrogen 2.831 N/A GLN 189.A NE2 SER 191.A O no hydrogen 2.956 N/A GLN 189.A NE2 ASN 201.A OD1 no hydrogen 3.212 N/A ARG 190.A N CYS 170.A O no hydrogen 2.888 N/A ARG 190.A NE PRO 169.A O no hydrogen 2.672 N/A ARG 190.A NH2 PRO 168.A O no hydrogen 2.950 N/A SER 191.A OG HIS 231.A NE2 no hydrogen 3.163 N/A GLY 192.A N ASP 229.A O no hydrogen 3.097 N/A MET 194.A N HIS 231.A O no hydrogen 3.357 N/A GLY 195.A N ASP 193.A OD2 no hydrogen 3.021 N/A LEU 196.A N ASP 193.A OD2 no hydrogen 3.109 N/A VAL 198.A N ASP 193.A O no hydrogen 2.786 N/A PHE 200.A N GLY 197.A O no hydrogen 2.793 N/A ASN 201.A N GLY 197.A O no hydrogen 3.361 N/A ILE 202.A N VAL 198.A O no hydrogen 3.065 N/A ALA 203.A N PRO 199.A O no hydrogen 3.496 N/A SER 204.A N PHE 200.A O no hydrogen 3.093 N/A ALA 206.A N ILE 202.A O no hydrogen 2.997 N/A LEU 207.A N ALA 203.A O no hydrogen 2.907 N/A LEU 208.A N SER 204.A O no hydrogen 3.263 N/A THR 209.A N TYR 205.A O no hydrogen 3.158 N/A THR 209.A OG1 TYR 205.A O no hydrogen 2.673 N/A TYR 210.A N ALA 206.A O no hydrogen 3.039 N/A TYR 210.A OH LEU 42.A O no hydrogen 2.503 N/A TYR 210.A OH GLU 45.A O no hydrogen 3.173 N/A MET 211.A N LEU 207.A O no hydrogen 2.802 N/A ILE 212.A N LEU 208.A O no hydrogen 2.936 N/A ALA 213.A N THR 209.A O no hydrogen 2.796 N/A HIS 214.A N TYR 210.A O no hydrogen 3.167 N/A ILE 215.A N MET 211.A O no hydrogen 3.065 N/A THR 216.A N ILE 212.A O no hydrogen 2.853 N/A THR 216.A OG1 ILE 212.A O no hydrogen 2.548 N/A GLY 217.A N HIS 214.A O no hydrogen 3.322 N/A LEU 218.A N ALA 213.A O no hydrogen 2.643 N/A LYS 219.A N SER 181.A O no hydrogen 3.128 N/A GLY 221.A N LEU 183.A O no hydrogen 2.752 N/A PHE 223.A N TYR 40.A O no hydrogen 2.621 N/A ILE 224.A N CYS 185.A O no hydrogen 2.706 N/A HIS 225.A N ALA 38.A O no hydrogen 2.756 N/A HIS 225.A NE2 GLN 189.A OE1 no hydrogen 2.689 N/A THR 226.A N LEU 187.A O no hydrogen 2.976 N/A LEU 227.A N MET 36.A O no hydrogen 2.876 N/A GLY 228.A N GLN 189.A O no hydrogen 2.890 N/A ASP 229.A N ARG 190.A O no hydrogen 2.699 N/A ALA 230.A N VAL 33.A O no hydrogen 2.800 N/A ALA 230.A N GLY 228.A O no hydrogen 3.071 N/A HIS 231.A N GLY 192.A O no hydrogen 3.218 N/A HIS 231.A NE2 SER 191.A OG no hydrogen 3.163 N/A ILE 232.A N LEU 31.A O no hydrogen 2.707 N/A TYR 233.A OH ASP 24.A OD2 no hydrogen 2.207 N/A LEU 234.A N GLY 29.A O no hydrogen 3.230 N/A HIS 236.A N TYR 233.A O no hydrogen 2.799 N/A ILE 237.A N LEU 234.A O no hydrogen 3.450 N/A LEU 240.A N HIS 236.A O no hydrogen 2.935 N/A LYS 241.A N ILE 237.A O no hydrogen 3.043 N/A LYS 241.A NZ GLU 238.A OE1 no hydrogen 3.142 N/A ILE 242.A N GLU 238.A O no hydrogen 3.221 N/A GLN 243.A N PRO 239.A O no hydrogen 3.291 N/A GLN 243.A NE2 THR 51.A OG1 no hydrogen 2.287 N/A LEU 244.A N LEU 240.A O no hydrogen 3.011 N/A GLN 245.A N ILE 242.A O no hydrogen 3.221 N/A ARG 246.A N GLN 243.A O no hydrogen 3.016 N/A ARG 246.A NH1 PRO 280.A O no hydrogen 2.626 N/A ARG 246.A NH2 PRO 280.A O no hydrogen 3.531 N/A ARG 249.A N THR 50.A OG1 no hydrogen 2.882 N/A LYS 253.A N GLU 274.A O no hydrogen 3.068 N/A LYS 253.A NZ ASP 44.A O no hydrogen 3.429 N/A ARG 255.A N GLN 272.A O no hydrogen 3.133 N/A LEU 257.A N ASP 270.A O no hydrogen 2.696 N/A ARG 258.A NH2 ASP 265.A O no hydrogen 2.914 N/A VAL 260.A N HIS 214.A NE2 no hydrogen 3.064 N/A PHE 266.A N ILE 263.A O no hydrogen 3.317 N/A LYS 267.A N ASP 270.A OD1 no hydrogen 2.818 N/A ASP 270.A N LYS 267.A O no hydrogen 2.808 N/A GLN 272.A N ARG 255.A O no hydrogen 3.020 N/A GLU 274.A N LYS 253.A O no hydrogen 3.134 N/A TYR 276.A OH LEU 49.A O no hydrogen 2.492 N/A HIS 279.A N THR 50.A O no hydrogen 2.884 N/A HIS 279.A NE2 GLU 247.A O no hydrogen 2.975 N/A