Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2gdd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N ASP 132.A O no hydrogen 2.831 N/A ILE 1.A N ASP 193.A OD2 no hydrogen 2.792 N/A VAL 2.A N ASP 188.A O no hydrogen 2.682 N/A GLN 5.A N GLN 147.A O no hydrogen 3.150 N/A ALA 7.A N LEU 145.A O no hydrogen 2.799 N/A LYS 11.A N PRO 8.A O no hydrogen 3.056 N/A TRP 12.A NE1 GLN 147.A OE1 no hydrogen 2.795 N/A GLN 15.A N TRP 12.A O no hydrogen 3.257 N/A VAL 16.A N GLY 31.A O no hydrogen 3.190 N/A SER 17.A N GLN 59.A O no hydrogen 2.863 N/A SER 17.A OG HIS 27.A ND1 no hydrogen 2.456 N/A LEU 18.A N CYS 29.A O no hydrogen 2.765 N/A ARG 19.A N ARG 57.A O no hydrogen 2.696 N/A ARG 19.A NE SER 17.A OG no hydrogen 2.959 N/A ARG 19.A NH1 TRP 25.A O no hydrogen 2.989 N/A ARG 19.A NH1 ASP 69.A OD2 no hydrogen 2.726 N/A ARG 19.A NH2 ASP 69.A OD1 no hydrogen 3.073 N/A VAL 20.A N MET 26.A O no hydrogen 3.016 N/A HIS 21.A N ALA 55.A O no hydrogen 2.827 N/A HIS 27.A N TYR 66.A OH no hydrogen 2.909 N/A HIS 27.A ND1 SER 17.A OG no hydrogen 2.456 N/A HIS 27.A NE2 GLY 192.A O no hydrogen 3.021 N/A PHE 28.A N LEU 18.A O no hydrogen 3.114 N/A CYS 29.A SG PHE 28.A O no hydrogen 3.227 N/A GLY 30.A N SER 194.A O no hydrogen 2.763 N/A SER 32.A N LEU 40.A O no hydrogen 2.851 N/A SER 32.A OG GLN 208.A OE1 no hydrogen 2.601 N/A LEU 33.A N TRP 14.A O no hydrogen 3.000 N/A ILE 34.A N TRP 38.A O no hydrogen 3.050 N/A GLN 37.A NE2 LEU 97.A O no hydrogen 3.341 N/A TRP 38.A N HIS 35.A O no hydrogen 2.850 N/A VAL 39.A N LEU 95.A O no hydrogen 2.938 N/A LEU 40.A N SER 32.A O no hydrogen 2.750 N/A THR 41.A N ALA 93.A O no hydrogen 3.037 N/A THR 41.A OG1 GLY 30.A O no hydrogen 2.918 N/A ALA 42.A N THR 41.A OG1 no hydrogen 2.659 N/A HIS 44.A N ASP 91.A OD1 no hydrogen 2.824 N/A HIS 44.A ND1 ASP 91.A OD2 no hydrogen 2.704 N/A HIS 44.A NE2 SER 194.A OG no hydrogen 3.130 N/A CYS 45.A N ALA 42.A O no hydrogen 3.156 N/A CYS 45.A SG SER 194.A O no hydrogen 3.466 N/A VAL 46.A N ALA 43.A O no hydrogen 3.317 N/A GLY 47.A N ALA 43.A O no hydrogen 2.779 N/A ALA 55.A N ASP 52E.A O no hydrogen 2.906 N/A LEU 56.A N LEU 53.A O no hydrogen 2.788 N/A ARG 57.A N ARG 19.A O no hydrogen 2.883 N/A VAL 58.A N LEU 72.A O no hydrogen 2.979 N/A GLN 59.A N SER 17.A O no hydrogen 2.790 N/A GLN 59.A NE2 LEU 60.A O no hydrogen 2.831 N/A ARG 61.A NE LYS 11.A O no hydrogen 2.746 N/A ARG 61.A NH1 GLN 63.A OE1 no hydrogen 2.748 N/A ARG 61.A NH2 LYS 11.A O no hydrogen 2.869 N/A ARG 61.A NH2 GLN 63.A OE1 no hydrogen 3.105 N/A GLN 63.A NE2 GLU 6.A OE2 no hydrogen 3.279 N/A GLN 63.A NE2 ALA 7.A O no hydrogen 2.763 N/A LEU 65.A N PHE 143.A O no hydrogen 2.952 N/A TYR 66.A N GLU 62.A OE2 no hydrogen 3.215 N/A TYR 67.A N HIS 64.A O no hydrogen 3.251 N/A GLN 70.A N GLN 59.A OE1 no hydrogen 2.783 N/A LEU 72.A N VAL 58.A O no hydrogen 2.870 N/A SER 75.A N GLU 96.A O no hydrogen 2.854 N/A SER 75.A OG GLU 96.A O no hydrogen 3.087 N/A ARG 76.A N GLU 96.A O no hydrogen 3.409 N/A ILE 78.A N LEU 94.A O no hydrogen 2.751 N/A HIS 80.A N ILE 92.A O no hydrogen 3.277 N/A GLN 82.A N HIS 80.A ND1 no hydrogen 2.992 N/A PHE 83.A N HIS 80.A O no hydrogen 3.036 N/A ILE 88.A N THR 85.A OG1 no hydrogen 3.307 N/A GLY 89.A N THR 85.A O no hydrogen 3.296 N/A ALA 90.A N ASP 178.A OD2 no hydrogen 2.881 N/A ILE 92.A N ALA 90.A O no hydrogen 2.895 N/A ALA 93.A N THR 41.A O no hydrogen 2.915 N/A LEU 94.A N ILE 78.A O no hydrogen 2.699 N/A LEU 95.A N VAL 39.A O no hydrogen 2.883 N/A GLU 96.A N ARG 76.A O no hydrogen 2.919 N/A LEU 97.A N GLN 37.A O no hydrogen 2.910 N/A GLU 98.A N PRO 73.A O no hydrogen 3.282 N/A VAL 101.A N PRO 36.A O no hydrogen 2.807 N/A SER 104.A N VAL 107.A O no hydrogen 2.646 N/A HIS 106.A N SER 104.A OG no hydrogen 3.365 N/A VAL 107.A N SER 104.A O no hydrogen 3.244 N/A VAL 107.A N SER 104.A OG no hydrogen 3.286 N/A HIS 108.A ND1 SER 104.A O no hydrogen 3.069 N/A VAL 110.A N LEU 33.A O no hydrogen 2.861 N/A GLU 117.A N PRO 114.A O no hydrogen 2.966 N/A MET 123.A N PRO 120.A O no hydrogen 3.139 N/A CYS 125.A SG MET 123.A O no hydrogen 3.672 N/A TRP 126.A N VAL 199.A O no hydrogen 2.718 N/A VAL 127.A N VAL 148.A O no hydrogen 3.068 N/A GLY 129.A N LYS 146.A O no hydrogen 3.173 N/A GLY 131.A N ASP 193.A OD1 no hydrogen 2.870 N/A ASP 132.A N GLN 191.A O no hydrogen 2.846 N/A VAL 133.A N GLU 137.A O no hydrogen 2.832 N/A ASN 135.A N ASP 134.A OD1 no hydrogen 2.694 N/A ASN 135.A ND2 CYS 218.A O no hydrogen 3.054 N/A ASN 135.A ND2 GLN 220A.A OE1 no hydrogen 3.517 N/A GLU 137.A N ASP 134.A O no hydrogen 2.937 N/A ARG 138.A NH1 ASP 132.A OD2 no hydrogen 2.506 N/A PHE 143.A N PRO 140.A O no hydrogen 3.098 N/A LEU 145.A N GLN 63.A O no hydrogen 3.088 N/A LYS 146.A N GLY 129.A O no hydrogen 3.051 N/A LYS 146.A NZ ILE 1.A O no hydrogen 3.165 N/A GLN 147.A N GLN 5.A O no hydrogen 3.135 N/A VAL 148.A N VAL 127.A O no hydrogen 3.116 N/A VAL 150.A N CYS 125.A O no hydrogen 2.917 N/A MET 153.A N CYS 181.A O no hydrogen 3.278 N/A ASN 155.A ND2 MET 179.A O no hydrogen 3.476 N/A ILE 157.A N GLU 154.A O no hydrogen 2.994 N/A CYS 158.A N GLU 154.A O no hydrogen 3.203 N/A ASP 159.A N ASN 155.A O no hydrogen 2.829 N/A ALA 160.A N HIS 156.A O no hydrogen 3.212 N/A LYS 161.A N ILE 157.A O no hydrogen 3.114 N/A TYR 162.A N CYS 158.A O no hydrogen 2.909 N/A TYR 162.A OH PRO 224.A O no hydrogen 2.627 N/A HIS 163.A N ASP 159.A O no hydrogen 3.343 N/A HIS 163.A N ALA 160.A O no hydrogen 3.094 N/A HIS 163.A ND1 ASP 159.A O no hydrogen 2.583 N/A HIS 163.A NE2 VAL 172I.A O no hydrogen 2.719 N/A ARG 173.A NH2 ASP 177.A OD1 no hydrogen 2.837 N/A ILE 174.A N ASP 159.A OD1 no hydrogen 2.704 N/A VAL 175.A N ASP 159.A OD1 no hydrogen 2.928 N/A MET 179.A N ARG 176.A O no hydrogen 3.021 N/A LEU 180.A N TYR 227.A O no hydrogen 2.773 N/A CYS 181.A SG MET 153.A O no hydrogen 3.417 N/A CYS 181.A SG GLU 154.A O no hydrogen 3.873 N/A ALA 182.A N GLY 225.A O no hydrogen 3.080 N/A GLY 183.A N PRO 151.A O no hydrogen 2.937 N/A ASN 184.A N ARG 187.A O no hydrogen 2.794 N/A ARG 186.A N ASN 184.A OD1 no hydrogen 2.639 N/A ARG 187.A N ASN 184.A OD1 no hydrogen 2.851 N/A ASP 188.A N VAL 2.A O no hydrogen 3.243 N/A SER 189.A N ASP 188.A OD1 no hydrogen 2.711 N/A SER 189.A OG TYR 227.A OH no hydrogen 3.058 N/A CYS 190.A N ASP 193.A OD2 no hydrogen 2.865 N/A CYS 190.A SG GLN 191.A OE1 no hydrogen 3.138 N/A ASP 193.A N CYS 190.A O no hydrogen 2.812 N/A SER 194.A OG HIS 44.A NE2 no hydrogen 3.130 N/A GLY 195.A N VAL 212.A O no hydrogen 2.995 N/A GLY 196.A N ASP 193.A O no hydrogen 2.868 N/A LEU 198.A N GLY 210.A O no hydrogen 2.993 N/A VAL 199.A N TRP 126.A O no hydrogen 2.876 N/A CYS 200.A N LEU 207.A O no hydrogen 3.048 N/A LYS 201.A N PRO 124.A O no hydrogen 3.319 N/A VAL 202.A N THR 205.A O no hydrogen 2.780 N/A THR 205.A N VAL 202.A O no hydrogen 3.395 N/A LEU 207.A N CYS 200.A O no hydrogen 2.982 N/A GLN 208.A N THR 111.A O no hydrogen 2.922 N/A GLN 208.A NE2 GLY 210.A O no hydrogen 3.015 N/A ALA 209.A N LEU 198.A O no hydrogen 2.814 N/A GLY 210.A N LEU 198.A O no hydrogen 3.134 N/A VAL 211.A N THR 228.A O no hydrogen 3.101 N/A VAL 212.A N GLY 196.A O no hydrogen 3.023 N/A SER 213.A N ILE 226.A O no hydrogen 3.107 N/A SER 213.A OG ASP 91.A OD2 no hydrogen 2.616 N/A TRP 214.A N ILE 226.A O no hydrogen 3.118 N/A GLU 216.A N TYR 162.A OH no hydrogen 3.322 N/A CYS 218.A N ASN 135.A OD1 no hydrogen 2.729 N/A CYS 218.A SG SER 189.A O no hydrogen 3.882 N/A CYS 218.A SG GLN 191.A OE1 no hydrogen 3.122 N/A ALA 219.A N ASP 188.A OD2 no hydrogen 2.908 N/A ARG 223.A N GLN 220A.A O no hydrogen 3.000 N/A ARG 223.A NE GLU 216.A OE1 no hydrogen 3.042 N/A ARG 223.A NH1 ASN 222.A O no hydrogen 2.692 N/A ARG 223.A NH1 LEU 164A.A O no hydrogen 3.151 N/A ARG 223.A NH2 LEU 164A.A O no hydrogen 2.847 N/A ILE 226.A N TRP 214.A O no hydrogen 2.770 N/A TYR 227.A N LEU 180.A O no hydrogen 2.638 N/A THR 228.A N VAL 211.A O no hydrogen 2.840 N/A THR 228.A OG1 ASP 91.A O no hydrogen 2.577 N/A ARG 229.A N ASP 178.A O no hydrogen 2.827 N/A ARG 229.A NE MET 179.A O no hydrogen 2.876 N/A ARG 229.A NH1 THR 118.A O no hydrogen 3.513 N/A ARG 229.A NH2 MET 179.A O no hydrogen 3.160 N/A VAL 230.A N ALA 209.A O no hydrogen 3.190 N/A TYR 232.A N ARG 229.A O no hydrogen 3.056 N/A TYR 233.A N VAL 230.A O no hydrogen 2.894 N/A TYR 233.A OH ASP 178.A OD2 no hydrogen 2.650 N/A ILE 237.A N TYR 233.A O no hydrogen 2.965 N/A HIS 238.A N LEU 234.A O no hydrogen 2.923 N/A HIS 239.A N TRP 236.A O no hydrogen 3.063 N/A TYR 240.A N ILE 237.A O no hydrogen 2.876 N/A VAL 241.A N ILE 237.A O no hydrogen 2.763 N/A LEU 164A.A N LYS 161.A O no hydrogen 2.966 N/A ALA 166C.A N HIS 163.A O no hydrogen 3.168 N/A VAL 172I.A N GLY 169F.A O no hydrogen 2.833 N/A