Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qur_H.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLY 142.A O no hydrogen 3.415 N/A ILE 1.A N ASN 143.A O no hydrogen 2.953 N/A ILE 1.A N ASP 204.A OD1 no hydrogen 2.533 N/A ILE 1.A N ASP 204.A OD2 no hydrogen 3.555 N/A VAL 2.A N ASP 199.A O no hydrogen 2.771 N/A SER 5.A N VAL 162.A O no hydrogen 2.969 N/A SER 5.A OG ASP 6.A O no hydrogen 3.527 N/A ALA 7.A N LEU 160.A O no hydrogen 2.974 N/A MET 11.A N GLU 8.A O no hydrogen 3.118 N/A GLN 15.A N SER 12.A O no hydrogen 3.039 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 3.464 N/A VAL 16.A N ALA 30.A O no hydrogen 2.936 N/A MET 17.A N ARG 62.A O no hydrogen 2.925 N/A LEU 18.A N CYS 28.A O no hydrogen 2.771 N/A PHE 19.A N LEU 60.A O no hydrogen 2.849 N/A ARG 20.A N GLU 25.A O no hydrogen 2.906 N/A ARG 20.A NE GLU 25.A OE1 no hydrogen 2.694 N/A LYS 21.A N ASP 58.A O no hydrogen 3.124 N/A LYS 21.A NZ ASN 57.A O no hydrogen 3.002 N/A LEU 27.A N LEU 18.A O no hydrogen 2.927 N/A CYS 28.A N LEU 18.A O no hydrogen 3.483 N/A CYS 28.A SG LEU 27.A O no hydrogen 2.903 N/A GLY 29.A N SER 205.A O no hydrogen 2.809 N/A SER 31.A N LEU 39.A O no hydrogen 2.876 N/A SER 31.A OG GLN 221.A OE1 no hydrogen 2.462 N/A LEU 32.A N TRP 14.A O no hydrogen 2.798 N/A ILE 33.A N TRP 37.A O no hydrogen 3.022 N/A ARG 36.A N SER 34.A OG no hydrogen 3.259 N/A ARG 36.A NE LEU 105.A O no hydrogen 2.667 N/A ARG 36.A NH1 LEU 105.A O no hydrogen 3.562 N/A VAL 38.A N MET 103.A O no hydrogen 2.984 N/A LEU 39.A N SER 31.A O no hydrogen 2.818 N/A THR 40.A N ALA 101.A O no hydrogen 3.015 N/A THR 40.A OG1 GLY 29.A O no hydrogen 3.078 N/A HIS 43.A N ASP 99.A OD1 no hydrogen 2.814 N/A HIS 43.A ND1 ASP 99.A OD2 no hydrogen 2.597 N/A CYS 44.A N ALA 41.A O no hydrogen 3.157 N/A CYS 44.A SG SER 205.A O no hydrogen 3.637 N/A LEU 45.A N ALA 42.A O no hydrogen 2.934 N/A LEU 46.A N ALA 42.A O no hydrogen 2.860 N/A GLU 56.A N GLU 56.A OE1 no hydrogen 2.306 N/A ASP 58.A N THR 55I.A O no hydrogen 2.983 N/A LEU 59.A N GLU 56.A O no hydrogen 3.506 N/A LEU 60.A N PHE 19.A O no hydrogen 2.726 N/A VAL 61.A N SER 79.A O no hydrogen 2.890 N/A ARG 62.A N MET 17.A O no hydrogen 2.938 N/A ARG 62.A NE GLU 76.A OE2 no hydrogen 2.723 N/A ARG 62.A NH2 GLU 76.A OE1 no hydrogen 2.939 N/A ARG 62.A NH2 GLU 76.A OE2 no hydrogen 3.151 N/A ILE 63.A N LYS 77.A O no hydrogen 2.785 N/A LYS 65.A NZ SER 67.A O no hydrogen 3.072 N/A LYS 65.A NZ ARG 70.A O no hydrogen 2.827 N/A LYS 65.A NZ GLU 72.A OE2 no hydrogen 2.687 N/A LYS 65.A NZ GLU 76.A OE1 no hydrogen 2.581 N/A HIS 66.A N GLU 72.A OE1 no hydrogen 3.243 N/A HIS 66.A N GLU 72.A OE2 no hydrogen 2.706 N/A SER 67.A N GLU 72.A OE1 no hydrogen 2.864 N/A SER 67.A N GLU 72.A OE2 no hydrogen 3.170 N/A ARG 68.A N SER 158.A O no hydrogen 3.186 N/A ARG 70.A N SER 67.A OG no hydrogen 3.408 N/A GLU 72.A N GLU 76.A OE1 no hydrogen 2.964 N/A ILE 75.A N GLU 72.A O no hydrogen 3.008 N/A GLU 76.A N GLU 72.A O no hydrogen 3.000 N/A LYS 77.A N ILE 63.A O no hydrogen 2.656 N/A SER 79.A N VAL 61.A O no hydrogen 2.832 N/A GLU 82.A N LYS 104.A O no hydrogen 2.821 N/A LYS 83.A N LYS 104.A O no hydrogen 3.422 N/A ILE 84.A N GLU 56.A OE2 no hydrogen 3.212 N/A TYR 85.A N LEU 102.A O no hydrogen 2.813 N/A HIS 87.A N ILE 100.A O no hydrogen 3.318 N/A ARG 89.A N HIS 87.A ND1 no hydrogen 2.812 N/A TYR 90.A N HIS 87.A O no hydrogen 3.044 N/A TYR 90.A OH LEU 46.A O no hydrogen 2.662 N/A ASN 91.A N ASP 97.A O no hydrogen 2.934 N/A ASN 91.A ND2 GLU 94A.A OE1 no hydrogen 3.239 N/A LEU 96.A N ASN 91.A O no hydrogen 2.909 N/A ARG 98.A NH1 HIS 87.A NE2 no hydrogen 3.484 N/A ILE 100.A N ARG 98.A O no hydrogen 2.956 N/A ALA 101.A N THR 40.A O no hydrogen 2.965 N/A LEU 102.A N TYR 85.A O no hydrogen 2.858 N/A MET 103.A N VAL 38.A O no hydrogen 2.882 N/A LYS 104.A N LYS 83.A O no hydrogen 2.807 N/A LEU 105.A N ARG 36.A O no hydrogen 2.878 N/A LYS 106.A N MET 80.A O no hydrogen 2.981 N/A VAL 109.A N ASP 35.A O no hydrogen 2.935 N/A SER 112.A N ILE 115.A O no hydrogen 3.013 N/A TYR 114.A N SER 112.A OG no hydrogen 3.153 N/A ILE 115.A N SER 112.A O no hydrogen 3.388 N/A HIS 116.A N PRO 13.A O no hydrogen 3.069 N/A VAL 118.A N LEU 32.A O no hydrogen 3.091 N/A CYS 119.A N TRP 219.A O no hydrogen 3.208 N/A CYS 119.A SG TRP 219.A O no hydrogen 3.546 N/A THR 125.A N ASP 122.A OD2 no hydrogen 2.786 N/A THR 125.A OG1 ASP 122.A OD1 no hydrogen 2.539 N/A THR 125.A OG1 ASP 122.A OD2 no hydrogen 3.236 N/A ALA 126.A N ASP 122.A O no hydrogen 3.125 N/A LEU 130.A N ALA 126.A O no hydrogen 2.949 N/A GLN 131.A N LEU 129C.A O no hydrogen 2.927 N/A GLN 131.A NE2 SER 128B.A O no hydrogen 2.680 N/A GLY 133.A N ILE 167.A O no hydrogen 2.914 N/A TYR 134.A N GLN 131.A O no hydrogen 3.061 N/A LYS 135.A NZ TYR 190A.A OH no hydrogen 3.440 N/A GLY 136.A N LEU 165.A O no hydrogen 2.864 N/A ARG 137.A N VAL 210.A O no hydrogen 2.767 N/A ARG 137.A NE ASN 164.A OD1 no hydrogen 3.057 N/A VAL 138.A N VAL 163.A O no hydrogen 2.883 N/A THR 139.A OG1 GLN 15.A OE1 no hydrogen 2.507 N/A GLY 140.A N GLN 161.A O no hydrogen 3.220 N/A TRP 141.A NE1 HIS 66.A O no hydrogen 3.108 N/A GLY 142.A N ASP 204.A OD2 no hydrogen 2.649 N/A ASN 143.A N GLU 202.A O no hydrogen 2.870 N/A LEU 144.A N GLY 155.A O no hydrogen 2.609 N/A LEU 160.A N HIS 66.A O no hydrogen 2.945 N/A GLN 161.A N GLY 140.A O no hydrogen 3.191 N/A GLN 161.A NE2 ASP 6.A OD1 no hydrogen 3.059 N/A GLN 161.A NE2 VAL 159.A O no hydrogen 2.968 N/A VAL 162.A N SER 5.A O no hydrogen 2.877 N/A VAL 163.A N VAL 138.A O no hydrogen 3.004 N/A LEU 165.A N GLY 136.A O no hydrogen 2.884 N/A ILE 167.A N TYR 134.A O no hydrogen 2.927 N/A VAL 168.A N CYS 187.A O no hydrogen 3.056 N/A ARG 170.A NH1 MET 185.A O no hydrogen 2.918 N/A ARG 170.A NH2 THR 182.A O no hydrogen 2.756 N/A ARG 170.A NH2 MET 185.A O no hydrogen 3.207 N/A VAL 172.A N GLU 169.A O no hydrogen 3.124 N/A CYS 173.A N GLU 169.A O no hydrogen 3.204 N/A CYS 173.A SG VAL 168.A O no hydrogen 3.527 N/A CYS 173.A SG GLU 169.A O no hydrogen 3.350 N/A LYS 174.A N ARG 170.A O no hydrogen 2.989 N/A ASP 175.A N PRO 171.A O no hydrogen 2.984 N/A SER 176.A N CYS 173.A O no hydrogen 3.174 N/A SER 176.A OG CYS 173.A O no hydrogen 2.559 N/A THR 177.A OG1 GLU 229.A OE1 no hydrogen 2.401 N/A ILE 179.A N THR 177.A OG1 no hydrogen 2.963 N/A THR 182.A OG1 ASP 97.A OD2 no hydrogen 2.474 N/A ASN 184.A N THR 182.A OG1 no hydrogen 3.201 N/A ASN 184.A ND2 ASP 97.A OD1 no hydrogen 3.513 N/A ASN 184.A ND2 ASP 97.A OD2 no hydrogen 3.077 N/A MET 185.A N THR 182.A O no hydrogen 3.375 N/A PHE 186.A N TYR 240.A O no hydrogen 3.060 N/A ALA 188.A N GLY 238.A O no hydrogen 2.892 N/A GLY 189.A N PRO 166.A O no hydrogen 2.921 N/A LYS 191.A N GLU 194B.A OE1 no hydrogen 2.804 N/A LYS 191.A NZ GLU 169.A OE1 no hydrogen 2.375 N/A ARG 197.A NE ASP 232.A OD2 no hydrogen 2.692 N/A ARG 197.A NH1 ASP 234.A OD2 no hydrogen 2.996 N/A ARG 197.A NH2 ASP 232.A O no hydrogen 2.611 N/A ARG 197.A NH2 ASP 232.A OD2 no hydrogen 3.434 N/A ARG 197.A NH2 ASP 234.A OD2 no hydrogen 2.797 N/A GLY 198.A N ASP 232.A OD1 no hydrogen 2.971 N/A ASP 199.A N VAL 2.A O no hydrogen 3.166 N/A ALA 200.A N ASP 199.A OD2 no hydrogen 2.747 N/A CYS 201.A N ASP 204.A OD1 no hydrogen 2.783 N/A CYS 201.A SG LYS 145.A O no hydrogen 3.749 N/A ASP 204.A N CYS 201.A O no hydrogen 2.888 N/A SER 205.A OG HIS 43.A NE2 no hydrogen 2.917 N/A GLY 206.A N VAL 225.A O no hydrogen 2.952 N/A GLY 207.A N ASP 204.A O no hydrogen 3.076 N/A PHE 209.A N GLY 223.A O no hydrogen 2.966 N/A VAL 210.A N ARG 137.A O no hydrogen 2.866 N/A MET 211.A N TYR 220.A O no hydrogen 2.922 N/A SER 213.A N ARG 218.A O no hydrogen 2.846 N/A ASN 217.A N SER 213.A O no hydrogen 2.952 N/A TYR 220.A N MET 211.A O no hydrogen 2.855 N/A TYR 220.A OH ASN 216B.A OD1 no hydrogen 2.897 N/A GLN 221.A N CYS 119.A O no hydrogen 2.959 N/A GLN 221.A NE2 GLY 223.A O no hydrogen 3.002 N/A MET 222.A N PHE 209.A O no hydrogen 2.915 N/A GLY 223.A N PHE 209.A O no hydrogen 3.198 N/A ILE 224.A N THR 241.A O no hydrogen 3.276 N/A VAL 225.A N GLY 207.A O no hydrogen 2.897 N/A SER 226.A N PHE 239.A O no hydrogen 3.044 N/A SER 226.A OG ASP 99.A OD2 no hydrogen 2.700 N/A TRP 227.A N PHE 239.A O no hydrogen 3.320 N/A CYS 231.A N GLU 146.A OE1 no hydrogen 2.810 N/A CYS 231.A SG ALA 200.A O no hydrogen 4.007 N/A ASP 232.A N ASP 199.A OD1 no hydrogen 2.883 N/A LYS 236.A N ARG 233A.A O no hydrogen 3.193 N/A LYS 236.A NZ SER 176.A O no hydrogen 3.030 N/A LYS 236.A NZ GLU 229.A OE2 no hydrogen 2.534 N/A GLY 238.A N ALA 188.A O no hydrogen 3.144 N/A PHE 239.A N TRP 227.A O no hydrogen 2.752 N/A TYR 240.A N PHE 186.A O no hydrogen 2.842 N/A THR 241.A N ILE 224.A O no hydrogen 2.983 N/A THR 241.A OG1 ASP 99.A O no hydrogen 2.812 N/A HIS 242.A N ASN 184.A O no hydrogen 2.827 N/A VAL 243.A N MET 222.A O no hydrogen 3.115 N/A ARG 245.A N HIS 242.A ND1 no hydrogen 3.277 N/A LEU 246.A N VAL 243.A O no hydrogen 2.984 N/A LYS 247.A N PHE 244.A O no hydrogen 3.188 N/A ILE 250.A N LEU 246.A O no hydrogen 3.172 N/A GLN 251.A N LYS 247.A O no hydrogen 2.819 N/A LYS 252.A N LYS 248.A O no hydrogen 2.878 N/A VAL 253.A N TRP 249.A O no hydrogen 3.044 N/A ILE 254.A N ILE 250.A O no hydrogen 3.217 N/A ASP 255.A N GLN 251.A O no hydrogen 3.111 N/A TYR 47A.A N LYS 52F.A O no hydrogen 2.843 N/A GLU 94A.A N ASN 91.A OD1 no hydrogen 3.023 N/A ALA 127A.A N ARG 123.A O no hydrogen 3.107 N/A PHE 215A.A N SER 213.A OG no hydrogen 3.066 N/A ARG 233A.A NE GLU 146.A OE1 no hydrogen 2.745 N/A ARG 233A.A NE GLU 146.A OE2 no hydrogen 3.032 N/A ARG 233A.A NH1 GLU 146.A OE2 no hydrogen 2.419 N/A SER 128B.A N GLU 124.A O no hydrogen 2.946 N/A SER 128B.A OG GLU 124.A O no hydrogen 2.966 N/A GLU 194B.A N LYS 191.A O no hydrogen 3.007 N/A ASN 216B.A N SER 213.A OG no hydrogen 3.315 N/A LEU 129C.A N THR 125.A O no hydrogen 3.045 N/A VAL 152C.A N ALA 150A.A O no hydrogen 2.459 N/A TRP 50D.A N TYR 47A.A O no hydrogen 3.054 N/A LYS 196D.A N GLU 194B.A O no hydrogen 3.028 N/A ASP 51E.A N PRO 48B.A O no hydrogen 2.662 N/A LYS 52F.A N TYR 47A.A O no hydrogen 3.210 N/A LYS 52F.A NZ HIS 43.A O no hydrogen 3.014 N/A PHE 54H.A N LEU 45.A O no hydrogen 2.874 N/A THR 55I.A N ASP 58.A OD1 no hydrogen 3.094 N/A