Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qh3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 20.A OD2 no hydrogen 3.188 N/A MET 1.A N GLU 126.A OE2 no hydrogen 2.504 N/A LYS 2.A N ILE 18.A O no hydrogen 2.971 N/A LYS 2.A NZ HIS 43.A ND1 no hydrogen 2.676 N/A GLU 4.A N LEU 16.A O no hydrogen 2.927 N/A LEU 6.A N MET 14.A O no hydrogen 2.784 N/A ALA 8.A N ASN 12.A O no hydrogen 2.933 N/A LEU 9.A N GLN 32.A OE1 no hydrogen 3.116 N/A ASN 12.A N ALA 8.A O no hydrogen 2.990 N/A ASN 12.A ND2 ASP 58.A OD2 no hydrogen 2.914 N/A TYR 13.A N GLY 172.A O no hydrogen 2.847 N/A TYR 13.A OH GLU 174.A OE1 no hydrogen 2.648 N/A MET 14.A N LEU 6.A O no hydrogen 2.801 N/A TYR 15.A N VAL 28.A O no hydrogen 3.249 N/A TYR 15.A OH CYS 171.A O no hydrogen 2.679 N/A LEU 16.A N GLU 4.A O no hydrogen 2.919 N/A VAL 17.A N ALA 26.A O no hydrogen 2.800 N/A ILE 18.A N LYS 2.A O no hydrogen 2.773 N/A ASP 19.A N GLU 24.A O no hydrogen 2.741 N/A GLU 21.A N ASP 19.A OD1 no hydrogen 2.981 N/A THR 22.A N ASP 19.A OD2 no hydrogen 3.212 N/A THR 22.A OG1 ASP 19.A OD2 no hydrogen 2.629 N/A LYS 23.A N ASP 19.A O no hydrogen 2.867 N/A LYS 23.A NZ ASP 20.A O no hydrogen 2.783 N/A GLU 24.A N THR 22.A OG1 no hydrogen 3.334 N/A ALA 25.A N LYS 46.A O no hydrogen 2.942 N/A ALA 26.A N VAL 17.A O no hydrogen 2.906 N/A ILE 27.A N THR 49.A O no hydrogen 2.906 N/A VAL 28.A N TYR 15.A O no hydrogen 2.725 N/A ASP 29.A N LEU 51.A O no hydrogen 3.084 N/A VAL 31.A N ASP 29.A O no hydrogen 2.863 N/A LYS 35.A NZ PRO 7.A O no hydrogen 2.879 N/A LYS 35.A NZ GLN 32.A OE1 no hydrogen 3.405 N/A VAL 36.A N GLN 32.A O no hydrogen 3.300 N/A VAL 37.A N PRO 33.A O no hydrogen 2.999 N/A ASP 38.A N GLN 34.A O no hydrogen 3.046 N/A ALA 39.A N LYS 35.A O no hydrogen 3.117 N/A ALA 40.A N VAL 36.A O no hydrogen 2.886 N/A ARG 41.A N VAL 37.A O no hydrogen 2.937 N/A LYS 42.A N ASP 38.A O no hydrogen 2.701 N/A HIS 43.A N ALA 39.A O no hydrogen 2.960 N/A GLY 44.A N ARG 41.A O no hydrogen 3.172 N/A VAL 45.A N ALA 40.A O no hydrogen 2.971 N/A LYS 46.A N LYS 23.A O no hydrogen 2.841 N/A THR 48.A N ALA 25.A O no hydrogen 2.866 N/A THR 48.A OG1 ALA 25.A O no hydrogen 3.201 N/A THR 48.A OG1 THR 49.A OG1 no hydrogen 2.846 N/A THR 49.A N ALA 25.A O no hydrogen 3.439 N/A THR 49.A OG1 THR 48.A OG1 no hydrogen 2.846 N/A VAL 50.A N LYS 74.A O no hydrogen 2.801 N/A LEU 51.A N ILE 27.A O no hydrogen 2.949 N/A THR 52.A N TYR 76.A O no hydrogen 2.995 N/A THR 52.A OG1 TYR 76.A O no hydrogen 3.017 N/A THR 53.A N ASP 29.A OD1 no hydrogen 2.879 N/A THR 53.A OG1 ASP 29.A OD1 no hydrogen 3.287 N/A THR 53.A OG1 ASP 29.A OD2 no hydrogen 2.756 N/A THR 53.A OG1 HIS 54.A ND1 no hydrogen 2.954 N/A HIS 54.A ND1 THR 53.A OG1 no hydrogen 2.954 N/A HIS 59.A N HIS 56.A O no hydrogen 2.849 N/A HIS 59.A ND1 ASP 29.A OD2 no hydrogen 2.794 N/A ALA 60.A N HIS 56.A O no hydrogen 2.872 N/A GLY 61.A N TRP 57.A O no hydrogen 2.820 N/A ASN 63.A N ALA 60.A O no hydrogen 3.044 N/A ASN 63.A ND2 THR 52.A OG1 no hydrogen 3.116 N/A ASN 63.A ND2 GLY 83.A O no hydrogen 3.125 N/A LEU 66.A N GLY 62.A O no hydrogen 2.827 N/A VAL 67.A N ASN 63.A O no hydrogen 3.101 N/A LYS 68.A N GLU 64.A O no hydrogen 3.272 N/A LEU 69.A N LYS 65.A O no hydrogen 2.975 N/A LEU 69.A N LEU 66.A O no hydrogen 2.872 N/A GLU 70.A N LEU 66.A O no hydrogen 2.799 N/A LYS 74.A N THR 48.A O no hydrogen 3.012 N/A VAL 75.A N THR 86.A OG1 no hydrogen 2.739 N/A TYR 76.A N VAL 50.A O no hydrogen 2.878 N/A ARG 81.A N ASP 79.A OD1 no hydrogen 2.953 N/A ARG 81.A NE ASP 79.A OD1 no hydrogen 2.963 N/A ARG 81.A NH1 GLU 146.A OE2 no hydrogen 2.782 N/A ARG 81.A NH2 ASP 79.A OD2 no hydrogen 2.773 N/A ARG 81.A NH2 GLU 146.A OE1 no hydrogen 2.912 N/A ARG 81.A NH2 GLU 146.A OE2 no hydrogen 3.448 N/A ILE 82.A N ASP 79.A O no hydrogen 3.011 N/A THR 86.A N VAL 75.A O no hydrogen 2.854 N/A THR 86.A OG1 VAL 75.A O no hydrogen 3.436 N/A THR 86.A OG1 HIS 87.A ND1 no hydrogen 2.646 N/A HIS 87.A N VAL 75.A O no hydrogen 3.139 N/A HIS 87.A ND1 THR 86.A OG1 no hydrogen 2.646 N/A LYS 88.A NZ ASP 80.A OD1 no hydrogen 2.772 N/A ILE 89.A N GLY 77.A O no hydrogen 2.891 N/A THR 90.A N SER 93.A OG no hydrogen 3.008 N/A HIS 91.A N THR 90.A OG1 no hydrogen 2.696 N/A LEU 92.A N CYS 104.A O no hydrogen 2.773 N/A SER 93.A N THR 90.A O no hydrogen 3.050 N/A SER 93.A OG THR 90.A O no hydrogen 3.240 N/A LEU 95.A N VAL 102.A O no hydrogen 2.954 N/A VAL 97.A N LEU 100.A O no hydrogen 2.985 N/A SER 99.A N ASP 19.A OD2 no hydrogen 2.714 N/A SER 99.A OG ASP 19.A OD2 no hydrogen 3.181 N/A SER 99.A OG GLU 21.A OE1 no hydrogen 2.797 N/A LEU 100.A N VAL 97.A O no hydrogen 2.754 N/A ASN 101.A N SER 120.A O no hydrogen 2.936 N/A VAL 102.A N LEU 95.A O no hydrogen 2.787 N/A LYS 103.A N PHE 118.A O no hydrogen 2.798 N/A CYS 104.A N SER 93.A O no hydrogen 2.761 N/A CYS 104.A SG SER 93.A O no hydrogen 3.525 N/A LEU 105.A N CYS 116.A O no hydrogen 2.850 N/A ALA 106.A N HIS 91.A ND1 no hydrogen 2.752 N/A THR 107.A N HIS 114.A O no hydrogen 3.161 N/A THR 107.A OG1 THR 135.A OG1 no hydrogen 3.123 N/A CYS 109.A N THR 111.A O no hydrogen 3.009 N/A CYS 109.A SG THR 148.A O no hydrogen 3.578 N/A HIS 110.A ND1 LYS 143.A O no hydrogen 2.846 N/A SER 112.A N GLU 146.A OE1 no hydrogen 2.749 N/A SER 112.A OG GLU 146.A OE1 no hydrogen 3.157 N/A HIS 114.A N THR 111.A O no hydrogen 3.514 N/A ILE 115.A N THR 53.A O no hydrogen 2.767 N/A CYS 116.A N LEU 105.A O no hydrogen 2.873 N/A CYS 116.A SG THR 107.A OG1 no hydrogen 3.545 N/A CYS 116.A SG THR 132.A O no hydrogen 3.807 N/A TYR 117.A N PHE 131.A O no hydrogen 3.012 N/A TYR 117.A OH THR 52.A O no hydrogen 2.690 N/A PHE 118.A N LYS 103.A O no hydrogen 2.771 N/A VAL 119.A N ALA 129.A O no hydrogen 2.695 N/A SER 120.A N ASN 101.A O no hydrogen 2.992 N/A LYS 121.A NZ ASP 19.A OD1 no hydrogen 3.160 N/A ALA 129.A N VAL 119.A O no hydrogen 2.886 N/A VAL 130.A N ARG 168.A O no hydrogen 2.834 N/A PHE 131.A N TYR 117.A O no hydrogen 2.944 N/A THR 132.A N TYR 170.A O no hydrogen 3.126 N/A THR 132.A OG1 LEU 136.A O no hydrogen 2.729 N/A ASP 134.A N HIS 114.A NE2 no hydrogen 3.150 N/A THR 135.A N THR 132.A O no hydrogen 2.948 N/A THR 135.A OG1 THR 107.A OG1 no hydrogen 3.123 N/A PHE 137.A N GLY 140.A O no hydrogen 2.971 N/A ALA 139.A N GLU 218.A OE1 no hydrogen 2.857 N/A GLY 140.A N PHE 137.A O no hydrogen 3.168 N/A CYS 141.A SG GLY 142.A O no hydrogen 3.463 N/A GLY 142.A N THR 135.A O no hydrogen 3.250 N/A GLU 146.A N CYS 109.A O no hydrogen 3.050 N/A THR 148.A N GLU 151.A OE1 no hydrogen 3.067 N/A GLU 151.A N THR 148.A OG1 no hydrogen 3.243 N/A MET 152.A N THR 148.A O no hydrogen 3.064 N/A CYS 153.A N ALA 149.A O no hydrogen 2.849 N/A LYS 154.A N ASP 150.A O no hydrogen 2.962 N/A ALA 155.A N GLU 151.A O no hydrogen 2.965 N/A LEU 156.A N MET 152.A O no hydrogen 2.847 N/A LEU 157.A N CYS 153.A O no hydrogen 2.879 N/A GLU 158.A N LYS 154.A O no hydrogen 2.952 N/A VAL 159.A N LYS 154.A O no hydrogen 2.886 N/A LEU 160.A N ALA 155.A O no hydrogen 2.865 N/A LEU 163.A N LEU 160.A O no hydrogen 3.063 N/A THR 167.A N PRO 164.A O no hydrogen 2.939 N/A THR 167.A OG1 PRO 164.A O no hydrogen 2.554 N/A ARG 168.A N PRO 128.A O no hydrogen 2.948 N/A ARG 168.A NH1 ASP 166.A O no hydrogen 2.788 N/A VAL 169.A N SER 213.A O no hydrogen 2.730 N/A TYR 170.A N VAL 130.A O no hydrogen 2.982 N/A CYS 171.A SG HIS 173.A O no hydrogen 3.482 N/A GLY 172.A N GLY 133.A O no hydrogen 2.716 N/A HIS 173.A ND1 ASP 11.A OD1 no hydrogen 3.007 N/A GLU 174.A N ASP 11.A O no hydrogen 2.797 N/A THR 176.A OG1 GLU 174.A OE2 no hydrogen 3.220 N/A THR 176.A OG1 THR 210.A OG1 no hydrogen 2.572 N/A ASN 179.A N TYR 175.A O no hydrogen 2.886 N/A ASN 179.A ND2 VAL 138.A O no hydrogen 2.898 N/A LEU 180.A N THR 176.A O no hydrogen 2.909 N/A LYS 181.A N ILE 177.A O no hydrogen 2.977 N/A LYS 181.A NZ PRO 258.A O no hydrogen 3.116 N/A PHE 182.A N ASN 178.A O no hydrogen 3.045 N/A ALA 183.A N ASN 179.A O no hydrogen 2.863 N/A ARG 184.A N LEU 180.A O no hydrogen 2.785 N/A ARG 184.A NH1 ASP 260.A OXT no hydrogen 3.128 N/A ARG 184.A NH2 ASP 260.A O no hydrogen 2.724 N/A ARG 184.A NH2 ASP 260.A OXT no hydrogen 3.384 N/A HIS 185.A N LYS 181.A O no hydrogen 3.268 N/A HIS 185.A NE2 GLU 251.A OE2 no hydrogen 2.941 N/A VAL 186.A N PHE 182.A O no hydrogen 3.108 N/A GLU 187.A N ALA 183.A O no hydrogen 2.912 N/A ASN 190.A N GLU 187.A O no hydrogen 3.172 N/A ASN 190.A ND2 GLU 187.A OE1 no hydrogen 3.342 N/A ASN 190.A ND2 THR 220.A O no hydrogen 2.980 N/A ILE 193.A N ASN 190.A OD1 no hydrogen 3.143 N/A ARG 194.A N ASN 190.A O no hydrogen 3.509 N/A ARG 194.A NH1 PRO 188.A O no hydrogen 3.206 N/A GLU 195.A N ALA 191.A O no hydrogen 2.902 N/A LYS 196.A N ALA 192.A O no hydrogen 2.977 N/A LYS 196.A NZ GLU 217.A OE1 no hydrogen 2.809 N/A LEU 197.A N ILE 193.A O no hydrogen 2.826 N/A ALA 198.A N ARG 194.A O no hydrogen 3.086 N/A TRP 199.A N GLU 195.A O no hydrogen 3.139 N/A ALA 200.A N LYS 196.A O no hydrogen 2.793 N/A LYS 201.A N LEU 197.A O no hydrogen 2.939 N/A LYS 201.A NZ ASP 260.A OXT no hydrogen 2.930 N/A GLU 202.A N ALA 198.A O no hydrogen 3.204 N/A LYS 203.A N TRP 199.A O no hydrogen 2.919 N/A LYS 203.A NZ GLU 208.A OE1 no hydrogen 2.578 N/A TYR 204.A N ALA 200.A O no hydrogen 2.930 N/A SER 205.A N LYS 201.A O no hydrogen 3.077 N/A ILE 206.A N GLU 202.A O no hydrogen 3.147 N/A GLY 207.A N TYR 204.A O no hydrogen 3.268 N/A GLU 208.A N LYS 203.A O no hydrogen 2.860 N/A THR 210.A N GLU 174.A OE1 no hydrogen 2.954 N/A THR 210.A OG1 GLU 174.A OE1 no hydrogen 2.841 N/A THR 210.A OG1 GLU 174.A OE2 no hydrogen 2.779 N/A THR 210.A OG1 THR 176.A OG1 no hydrogen 2.572 N/A SER 213.A N VAL 169.A O no hydrogen 3.233 N/A SER 213.A OG GLU 218.A OE2 no hydrogen 2.637 N/A THR 214.A N GLU 217.A OE2 no hydrogen 3.241 N/A LEU 215.A N THR 167.A O no hydrogen 3.156 N/A ALA 216.A N PRO 165.A O no hydrogen 3.034 N/A GLU 217.A N THR 214.A OG1 no hydrogen 3.181 N/A GLU 218.A N THR 214.A O no hydrogen 3.038 N/A PHE 219.A N LEU 215.A O no hydrogen 3.073 N/A THR 220.A N GLU 217.A O no hydrogen 2.796 N/A THR 220.A OG1 GLU 217.A O no hydrogen 2.707 N/A TYR 221.A N GLU 218.A O no hydrogen 3.278 N/A TYR 221.A OH GLU 218.A OE2 no hydrogen 2.708 N/A ASN 222.A N GLU 218.A O no hydrogen 2.931 N/A ASN 222.A ND2 GLY 140.A O no hydrogen 3.180 N/A ASN 222.A ND2 GLU 218.A OE1 no hydrogen 2.936 N/A PHE 224.A N ASN 222.A OD1 no hydrogen 2.938 N/A MET 225.A N ASN 222.A OD1 no hydrogen 3.464 N/A ARG 226.A N ASN 222.A O no hydrogen 2.901 N/A ARG 226.A N PRO 223.A O no hydrogen 3.081 N/A ARG 226.A NE GLU 187.A OE1 no hydrogen 2.886 N/A ARG 226.A NH1 PHE 219.A O no hydrogen 2.820 N/A ARG 226.A NH2 GLU 187.A OE2 no hydrogen 2.933 N/A GLU 229.A N ARG 226.A O no hydrogen 2.846 N/A THR 231.A OG1 GLU 187.A OE2 no hydrogen 2.674 N/A GLN 233.A N GLU 229.A O no hydrogen 3.085 N/A GLN 233.A NE2 VAL 227.A O no hydrogen 2.906 N/A GLN 234.A N LYS 230.A O no hydrogen 2.840 N/A HIS 235.A N THR 231.A O no hydrogen 3.104 N/A HIS 235.A NE2 GLU 251.A OE1 no hydrogen 2.959 N/A HIS 235.A NE2 GLU 251.A OE2 no hydrogen 3.354 N/A ALA 236.A N VAL 232.A O no hydrogen 3.141 N/A GLY 237.A N GLN 234.A O no hydrogen 3.067 N/A GLU 238.A N GLN 233.A O no hydrogen 2.938 N/A THR 243.A N ASP 240.A OD2 no hydrogen 2.957 N/A THR 243.A OG1 ASP 240.A OD1 no hydrogen 2.712 N/A THR 243.A OG1 ASP 240.A OD2 no hydrogen 3.138 N/A THR 244.A N ASP 240.A O no hydrogen 3.027 N/A THR 244.A OG1 ASP 240.A O no hydrogen 2.629 N/A MET 245.A N PRO 241.A O no hydrogen 2.813 N/A ARG 246.A N VAL 242.A O no hydrogen 3.038 N/A ALA 247.A N THR 243.A O no hydrogen 2.943 N/A VAL 248.A N THR 244.A O no hydrogen 2.784 N/A ARG 249.A N MET 245.A O no hydrogen 2.943 N/A ARG 249.A NE ARG 249.A O no hydrogen 3.164 N/A ARG 249.A NE ASP 253.A OD1 no hydrogen 2.815 N/A ARG 249.A NH2 ASP 253.A OD1 no hydrogen 2.852 N/A ARG 250.A N ARG 246.A O no hydrogen 2.985 N/A GLU 251.A N ALA 247.A O no hydrogen 2.947 N/A LYS 252.A N VAL 248.A O no hydrogen 2.965 N/A ASP 253.A N ARG 249.A O no hydrogen 2.984 N/A GLN 254.A N GLU 251.A O no hydrogen 3.192 N/A PHE 255.A N LYS 252.A O no hydrogen 3.048 N/A