Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gng_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 7.A N TYR 34.A O no hydrogen 2.894 N/A ARG 8.A NH1 THR 33.A OG1 no hydrogen 3.111 N/A ILE 9.A N LYS 32.A O no hydrogen 3.089 N/A HIS 13.A ND1 PRO 11.A O no hydrogen 2.850 N/A TYR 14.A N VAL 47.A O no hydrogen 3.220 N/A ILE 15.A N GLU 28.A O no hydrogen 3.236 N/A HIS 16.A NE2 LEU 98.A O no hydrogen 2.599 N/A VAL 17.A N ARG 26.A O no hydrogen 2.847 N/A LEU 18.A N ARG 41.A O no hydrogen 3.021 N/A ASP 19.A N VAL 24.A O no hydrogen 2.897 N/A GLN 20.A N ASN 39.A O no hydrogen 2.802 N/A SER 22.A N ASP 19.A O no hydrogen 3.229 N/A SER 22.A OG ASP 19.A O no hydrogen 3.558 N/A SER 25.A N GLN 79.A OE1 no hydrogen 2.741 N/A ARG 26.A N VAL 17.A O no hydrogen 2.950 N/A ARG 26.A NE GLU 28.A OE2 no hydrogen 2.781 N/A ARG 26.A NH1 GLU 40.A OE2 no hydrogen 2.862 N/A ARG 26.A NH2 GLU 28.A OE2 no hydrogen 3.266 N/A ARG 26.A NH2 GLU 40.A OE2 no hydrogen 3.165 N/A GLU 28.A N ILE 15.A O no hydrogen 2.931 N/A GLY 30.A N HIS 13.A O no hydrogen 3.208 N/A LYS 32.A N ILE 9.A O no hydrogen 3.203 N/A LYS 32.A NZ GLU 28.A OE1 no hydrogen 2.757 N/A TYR 34.A N ILE 7.A O no hydrogen 2.843 N/A TYR 34.A OH GLU 40.A OE1 no hydrogen 2.697 N/A ARG 36.A N ALA 5.A O no hydrogen 2.775 N/A ARG 36.A NE GLU 4.A O no hydrogen 2.880 N/A ARG 36.A NH1 GLU 40.A O no hydrogen 2.732 N/A GLN 37.A N GLU 40.A OE1 no hydrogen 3.082 N/A GLN 37.A NE2 ILE 35.A O no hydrogen 3.635 N/A ASN 39.A ND2 ASP 19.A OD1 no hydrogen 3.206 N/A GLU 40.A N GLN 37.A O no hydrogen 3.166 N/A ARG 41.A N LEU 18.A O no hydrogen 3.005 N/A LEU 43.A N HIS 16.A O no hydrogen 3.050 N/A VAL 47.A N TYR 14.A O no hydrogen 3.288 N/A MET 49.A N TYR 12.A O no hydrogen 3.049 N/A VAL 50.A N PHE 96.A O no hydrogen 3.175 N/A THR 51.A OG1 MET 49.A O no hydrogen 3.540 N/A HIS 56.A ND1 PRO 54.A O no hydrogen 2.844 N/A TYR 57.A N THR 109.A O no hydrogen 2.788 N/A CYS 58.A N ARG 90.A O no hydrogen 3.127 N/A ILE 59.A N LYS 106.A O no hydrogen 3.336 N/A VAL 60.A N GLU 88.A O no hydrogen 2.929 N/A ALA 61.A N LEU 103.A O no hydrogen 2.818 N/A ASN 62.A N ASP 86.A O no hydrogen 3.232 N/A VAL 64.A N GLU 102.A OE1 no hydrogen 3.201 N/A SER 65.A N ARG 81.A O no hydrogen 3.039 N/A SER 65.A OG ARG 81.A O no hydrogen 3.460 N/A ARG 66.A NE SER 70.A O no hydrogen 2.983 N/A ASP 67.A N SER 71.A O no hydrogen 3.301 N/A GLN 69.A N ASP 67.A OD2 no hydrogen 3.245 N/A SER 70.A N ASP 67.A O no hydrogen 3.303 N/A SER 71.A OG GLN 69.A O no hydrogen 3.470 N/A LEU 73.A N SER 65.A O no hydrogen 2.857 N/A ASP 75.A N GLN 79.A O no hydrogen 2.607 N/A VAL 76.A N ASP 75.A OD1 no hydrogen 2.739 N/A GLY 78.A N ASP 75.A O no hydrogen 3.328 N/A ARG 81.A N LEU 73.A O no hydrogen 3.343 N/A ARG 81.A NH2 ASP 75.A OD1 no hydrogen 2.803 N/A ARG 83.A N PRO 63.A O no hydrogen 2.778 N/A ASP 86.A N HIS 84.A O no hydrogen 2.934 N/A GLU 88.A N VAL 60.A O no hydrogen 3.147 N/A ARG 90.A N CYS 58.A O no hydrogen 2.996 N/A ARG 90.A NE GLU 88.A OE1 no hydrogen 2.937 N/A ARG 90.A NH2 GLU 88.A OE1 no hydrogen 3.160 N/A ARG 90.A NH2 GLU 102.A OE1 no hydrogen 3.562 N/A PHE 96.A N VAL 50.A O no hydrogen 3.505 N/A TYR 99.A N GLU 102.A OE2 no hydrogen 3.075 N/A GLU 102.A N TYR 99.A O no hydrogen 3.143 N/A LEU 103.A N ALA 61.A O no hydrogen 3.194 N/A LYS 106.A N ILE 59.A O no hydrogen 3.021 N/A ILE 108.A N ASP 107.A OD1 no hydrogen 2.798 N/A THR 109.A N TYR 57.A O no hydrogen 2.812 N/A THR 109.A OG1 ASP 107.A O no hydrogen 2.895 N/A LEU 111.A N ARG 55.A O no hydrogen 2.717 N/A VAL 114.A N GLY 148.A O no hydrogen 2.756 N/A THR 118.A N LEU 115.A O no hydrogen 3.380 N/A THR 118.A OG1 LEU 115.A O no hydrogen 2.571 N/A ALA 119.A N ILE 162.A O no hydrogen 2.980 N/A LEU 120.A N PHE 144.A O no hydrogen 3.150 N/A HIS 121.A N GLU 160.A O no hydrogen 2.906 N/A HIS 121.A NE2 GLU 141.A OE1 no hydrogen 2.766 N/A LEU 122.A N TRP 142.A O no hydrogen 3.039 N/A LYS 123.A N GLU 157.A O no hydrogen 3.220 N/A ALA 124.A N ASP 140.A O no hydrogen 2.978 N/A LEU 125.A N GLU 155.A O no hydrogen 2.702 N/A PHE 128.A N VAL 136.A O no hydrogen 3.185 N/A ASP 130.A N ASP 134.A O no hydrogen 3.139 N/A GLY 133.A N ASP 130.A OD1 no hydrogen 3.100 N/A VAL 136.A N PHE 128.A O no hydrogen 2.881 N/A MET 137.A N ASP 140.A OD2 no hydrogen 3.231 N/A ALA 138.A N ASP 127.A OD1 no hydrogen 2.798 N/A GLY 139.A N ALA 124.A O no hydrogen 2.994 N/A ASP 140.A N MET 137.A O no hydrogen 3.119 N/A TRP 142.A N LEU 122.A O no hydrogen 3.033 N/A PHE 144.A N LEU 120.A O no hydrogen 3.243 N/A GLY 146.A N THR 118.A O no hydrogen 3.029 N/A GLY 148.A N VAL 114.A O no hydrogen 3.077 N/A TYR 150.A N GLN 112.A O no hydrogen 2.871 N/A LYS 154.A NZ GLN 87.A O no hydrogen 3.566 N/A VAL 156.A N GLN 153.A O no hydrogen 3.098 N/A GLU 157.A N LYS 123.A O no hydrogen 3.046 N/A VAL 159.A N HIS 121.A O no hydrogen 2.804 N/A ILE 162.A N ALA 119.A O no hydrogen 2.754 N/A GLN 163.A NE2 ALA 164.A O no hydrogen 2.815 N/A ALA 164.A N ASN 117.A O no hydrogen 3.063 N/A THR 165.A N TYR 203.A O no hydrogen 2.988 N/A ILE 167.A N GLY 201.A O no hydrogen 2.748 N/A LYS 168.A N GLN 171.A OE1 no hydrogen 3.347 N/A GLN 171.A NE2 ASP 216.A OD1 no hydrogen 2.954 N/A ALA 172.A N VAL 215.A O no hydrogen 2.964 N/A LEU 173.A N VAL 197.A O no hydrogen 3.174 N/A ARG 174.A N ASP 213.A O no hydrogen 3.191 N/A ARG 174.A NE GLU 194.A OE1 no hydrogen 3.096 N/A ARG 174.A NH2 GLU 194.A OE1 no hydrogen 3.049 N/A LEU 175.A N TRP 195.A O no hydrogen 2.951 N/A ARG 176.A N GLU 210.A O no hydrogen 2.820 N/A ARG 176.A NE GLU 194.A OE2 no hydrogen 2.787 N/A ALA 177.A N GLU 193.A O no hydrogen 3.025 N/A ARG 178.A N PHE 208.A O no hydrogen 2.868 N/A ARG 178.A NH2 GLU 209.A O no hydrogen 3.367 N/A CYS 181.A N ARG 189.A O no hydrogen 3.295 N/A CYS 181.A SG LYS 179.A O no hydrogen 3.562 N/A ASP 183.A N LYS 187.A O no hydrogen 2.681 N/A ARG 184.A N ASP 183.A OD1 no hydrogen 2.809 N/A ARG 184.A NH1 LEU 204.A O no hydrogen 2.701 N/A ARG 184.A NH2 LEU 204.A O no hydrogen 2.910 N/A GLY 186.A N ASP 183.A O no hydrogen 2.897 N/A ARG 189.A N CYS 181.A O no hydrogen 2.880 N/A ARG 189.A NH1 GLU 193.A OE2 no hydrogen 2.914 N/A ARG 189.A NH2 ASP 183.A OD2 no hydrogen 3.100 N/A VAL 190.A N GLU 193.A OE1 no hydrogen 3.022 N/A THR 191.A OG1 GLU 180.A OE2 no hydrogen 2.726 N/A GLY 192.A N ALA 177.A O no hydrogen 2.882 N/A GLU 193.A N VAL 190.A O no hydrogen 3.185 N/A TRP 195.A N LEU 175.A O no hydrogen 3.394 N/A VAL 197.A N LEU 173.A O no hydrogen 2.946 N/A GLY 201.A N ILE 167.A O no hydrogen 2.895 N/A TYR 203.A N THR 165.A O no hydrogen 2.979 N/A TYR 203.A OH GLU 209.A OE1 no hydrogen 2.806 N/A ALA 206.A N GLU 209.A OE1 no hydrogen 2.925 N/A GLU 209.A N ALA 206.A O no hydrogen 3.190 N/A GLU 210.A N ARG 176.A O no hydrogen 2.728 N/A LEU 212.A N ARG 174.A O no hydrogen 3.056 N/A VAL 215.A N ALA 172.A O no hydrogen 2.823 N/A ALA 217.A N ASN 170.A O no hydrogen 2.794 N/A VAL 218.A N HIS 258.A O no hydrogen 2.786 N/A LEU 220.A N GLU 256.A O no hydrogen 2.997 N/A THR 221.A N THR 224.A OG1 no hydrogen 2.884 N/A THR 224.A N THR 221.A O no hydrogen 2.813 N/A THR 224.A OG1 THR 221.A O no hydrogen 2.906 N/A ALA 225.A N VAL 270.A O no hydrogen 3.026 N/A LEU 226.A N VAL 250.A O no hydrogen 3.064 N/A HIS 227.A N GLY 268.A O no hydrogen 2.878 N/A LEU 228.A N TRP 248.A O no hydrogen 3.082 N/A ARG 229.A N GLU 265.A O no hydrogen 3.024 N/A ALA 230.A N GLU 246.A O no hydrogen 3.047 N/A ARG 231.A N TYR 263.A O no hydrogen 2.821 N/A ARG 231.A NH1 GLU 264.A O no hydrogen 3.107 N/A PHE 234.A N HIS 242.A O no hydrogen 3.071 N/A ASP 236.A N VAL 240.A O no hydrogen 3.328 N/A GLY 239.A N ASP 236.A OD1 no hydrogen 2.798 N/A HIS 242.A N PHE 234.A O no hydrogen 2.843 N/A THR 244.A N ASN 233.A OD1 no hydrogen 2.860 N/A THR 244.A OG1 ASN 233.A OD1 no hydrogen 2.723 N/A GLY 245.A N ALA 230.A O no hydrogen 3.185 N/A GLU 246.A N ARG 243.A O no hydrogen 3.144 N/A TRP 248.A N LEU 228.A O no hydrogen 3.055 N/A VAL 250.A N LEU 226.A O no hydrogen 3.037 N/A THR 251.A N ASP 254.A OD2 no hydrogen 2.962 N/A THR 251.A OG1 ASP 254.A OD2 no hydrogen 3.204 N/A ASP 254.A N THR 251.A O no hydrogen 3.219 N/A THR 255.A N THR 251.A O no hydrogen 3.383 N/A THR 255.A OG1 ALA 257.A O no hydrogen 2.915 N/A HIS 258.A N VAL 218.A O no hydrogen 3.133 N/A HIS 258.A NE2 GLU 264.A OE1 no hydrogen 3.120 N/A ASP 261.A N GLU 264.A OE1 no hydrogen 2.781 N/A VAL 262.A N ASP 261.A OD1 no hydrogen 2.744 N/A GLU 264.A N ASP 261.A O no hydrogen 3.024 N/A GLU 265.A N ARG 229.A O no hydrogen 2.951 N/A LEU 267.A N HIS 227.A O no hydrogen 3.038 N/A VAL 270.A N ALA 225.A O no hydrogen 2.783 N/A ILE 272.A N LYS 223.A O no hydrogen 2.821 N/A THR 273.A N PHE 307.A O no hydrogen 2.897 N/A HIS 279.A N GLY 276.A O no hydrogen 3.111 N/A TYR 280.A N GLN 320.A O no hydrogen 2.996 N/A CYS 281.A N VAL 301.A O no hydrogen 3.098 N/A ILE 283.A N ARG 299.A O no hydrogen 2.801 N/A LEU 284.A N ARG 314.A O no hydrogen 2.807 N/A ASP 285.A N GLN 297.A O no hydrogen 3.121 N/A MET 287.A N GLU 313.A OE2 no hydrogen 2.845 N/A GLY 288.A N LYS 292.A O no hydrogen 2.769 N/A GLY 291.A N GLY 288.A O no hydrogen 3.076 N/A LYS 292.A N ASP 290.A OD1 no hydrogen 3.011 N/A ASN 293.A ND2 PRO 311.A O no hydrogen 3.360 N/A GLN 294.A N PRO 286.A O no hydrogen 2.760 N/A GLN 294.A NE2 PRO 286.A O no hydrogen 3.649 N/A GLY 296.A N ASP 285.A OD1 no hydrogen 2.746 N/A GLN 297.A N GLN 294.A O no hydrogen 3.272 N/A LYS 298.A NZ GLU 316.A OE2 no hydrogen 2.820 N/A ARG 299.A N ILE 283.A O no hydrogen 3.112 N/A VAL 301.A N CYS 281.A O no hydrogen 3.100 N/A GLU 304.A N GLY 276.A O no hydrogen 3.116 N/A PHE 307.A N THR 273.A O no hydrogen 3.399 N/A GLN 310.A N GLU 313.A OE1 no hydrogen 3.286 N/A GLU 313.A N GLN 310.A O no hydrogen 3.144 N/A ARG 314.A N LEU 284.A O no hydrogen 3.486 N/A GLU 316.A N VAL 282.A O no hydrogen 2.925 N/A GLN 320.A N TYR 280.A O no hydrogen 2.878 N/A VAL 322.A N ARG 278.A O no hydrogen 3.173 N/A LEU 325.A N LEU 356.A O no hydrogen 2.942 N/A SER 326.A N GLN 329.A OE1 no hydrogen 3.103 N/A GLN 329.A N SER 326.A O no hydrogen 3.348 N/A GLN 329.A NE2 GLN 371.A OE1 no hydrogen 3.360 N/A GLY 330.A N ARG 370.A O no hydrogen 2.911 N/A LEU 331.A N ILE 352.A O no hydrogen 2.972 N/A LEU 332.A N GLU 368.A O no hydrogen 2.899 N/A LEU 333.A N TRP 350.A O no hydrogen 3.062 N/A LYS 334.A N GLU 365.A O no hydrogen 2.993 N/A ALA 335.A N ASP 348.A O no hydrogen 3.322 N/A LEU 336.A N LYS 363.A O no hydrogen 2.878 N/A LEU 339.A N HIS 344.A O no hydrogen 2.857 N/A HIS 344.A N LEU 339.A O no hydrogen 3.270 N/A GLN 345.A N ASP 348.A OD2 no hydrogen 2.759 N/A TRP 350.A N LEU 333.A O no hydrogen 3.348 N/A ILE 352.A N LEU 331.A O no hydrogen 2.916 N/A GLY 354.A N GLN 329.A O no hydrogen 3.247 N/A TYR 358.A N TYR 323.A O no hydrogen 2.867 N/A GLU 365.A N LYS 334.A O no hydrogen 2.911 N/A VAL 367.A N LEU 332.A O no hydrogen 2.915 N/A ARG 370.A N GLY 330.A O no hydrogen 2.698 N/A ILE 373.A N GLN 328.A O no hydrogen 3.258 N/A