Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2i53_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N MET 70.A O no hydrogen 3.013 N/A SER 1.A OG HIS 20.A O no hydrogen 2.755 N/A ALA 2.A N HIS 20.A O no hydrogen 2.980 N/A ASN 3.A N SER 1.A O no hydrogen 2.860 N/A ASN 3.A ND2 ASP 17.A OD2 no hydrogen 3.318 N/A THR 7.A N ASP 5.A O no hydrogen 2.659 N/A THR 7.A OG1 THR 7.A O no hydrogen 2.249 N/A CYS 10.A SG TYR 12.A O no hydrogen 3.721 N/A TRP 11.A NE1 ASP 141.A OD2 no hydrogen 2.688 N/A TRP 13.A N LEU 186.A O no hydrogen 2.812 N/A TRP 13.A NE1 SER 1.A O no hydrogen 2.886 N/A ASP 14.A N ASP 17.A OD2 no hydrogen 2.934 N/A LYS 15.A NZ ASP 236.A OD1 no hydrogen 2.956 N/A LYS 15.A NZ ASP 236.A OD2 no hydrogen 3.386 N/A LYS 16.A N ASP 14.A OD1 no hydrogen 2.845 N/A ASP 17.A N ASP 14.A O no hydrogen 2.837 N/A LEU 18.A N LYS 15.A O no hydrogen 2.972 N/A ALA 19.A N LYS 16.A O no hydrogen 3.206 N/A HIS 20.A N ASP 17.A O no hydrogen 2.880 N/A THR 21.A OG1 GLU 33.A OE1 no hydrogen 2.561 N/A THR 21.A OG1 GLU 33.A OE2 no hydrogen 3.453 N/A GLN 24.A N THR 21.A OG1 no hydrogen 3.182 N/A GLN 24.A NE2 LEU 18.A O no hydrogen 2.432 N/A GLN 24.A NE2 THR 21.A OG1 no hydrogen 3.056 N/A GLN 24.A NE2 GLU 33.A OE1 no hydrogen 3.329 N/A LEU 25.A N THR 21.A O no hydrogen 2.810 N/A GLU 26.A N PRO 22.A O no hydrogen 3.077 N/A GLU 26.A N SER 23.A O no hydrogen 3.218 N/A GLY 27.A N GLN 24.A O no hydrogen 2.950 N/A LEU 28.A N SER 23.A O no hydrogen 2.999 N/A ALA 31.A N ASP 29.A OD1 no hydrogen 3.144 N/A THR 32.A N ASP 29.A OD2 no hydrogen 3.021 N/A THR 32.A OG1 ASP 29.A OD2 no hydrogen 2.913 N/A GLU 33.A N ASP 29.A O no hydrogen 2.989 N/A ALA 34.A N PRO 30.A O no hydrogen 2.984 N/A ARG 35.A N ALA 31.A O no hydrogen 2.965 N/A ARG 35.A NE GLU 39.A OE2 no hydrogen 2.703 N/A ARG 35.A NH2 GLU 39.A OE1 no hydrogen 3.392 N/A ARG 35.A NH2 GLU 39.A OE2 no hydrogen 3.213 N/A TYR 36.A N THR 32.A O no hydrogen 2.855 N/A ARG 37.A N GLU 33.A O no hydrogen 2.954 N/A ARG 37.A NE GLU 33.A OE2 no hydrogen 3.111 N/A ARG 37.A NH1 HIS 66.A ND1 no hydrogen 3.029 N/A ARG 37.A NH1 HIS 66.A O no hydrogen 3.098 N/A ARG 37.A NH2 GLU 33.A OE2 no hydrogen 2.869 N/A ARG 38.A N ALA 34.A O no hydrogen 2.968 N/A GLU 39.A N ARG 35.A O no hydrogen 2.803 N/A GLY 40.A N TYR 36.A O no hydrogen 2.841 N/A ALA 41.A N ARG 37.A O no hydrogen 2.926 N/A ARG 42.A N ARG 38.A O no hydrogen 2.912 N/A PHE 43.A N GLU 39.A O no hydrogen 2.892 N/A ILE 44.A N GLY 40.A O no hydrogen 3.027 N/A PHE 45.A N ALA 41.A O no hydrogen 2.876 N/A ASP 46.A N ARG 42.A O no hydrogen 2.793 N/A VAL 47.A N PHE 43.A O no hydrogen 2.884 N/A GLY 48.A N ILE 44.A O no hydrogen 2.928 N/A THR 49.A N PHE 45.A O no hydrogen 2.835 N/A THR 49.A OG1 PHE 45.A O no hydrogen 2.718 N/A ARG 50.A N ASP 46.A O no hydrogen 3.016 N/A LEU 51.A N VAL 47.A O no hydrogen 3.010 N/A GLY 52.A N THR 49.A O no hydrogen 2.904 N/A LEU 53.A N GLY 48.A O no hydrogen 2.929 N/A ASP 56.A N HIS 54.A ND1 no hydrogen 3.373 N/A THR 57.A N HIS 54.A O no hydrogen 2.908 N/A THR 57.A OG1 THR 96.A OG1 no hydrogen 3.141 N/A LEU 58.A N HIS 54.A O no hydrogen 3.285 N/A ALA 59.A N TYR 55.A O no hydrogen 3.110 N/A THR 60.A N ASP 56.A O no hydrogen 2.898 N/A THR 60.A OG1 ASP 56.A O no hydrogen 3.063 N/A THR 60.A OG1 GLU 94.A OE2 no hydrogen 2.703 N/A THR 60.A OG1 HIS 146.A NE2 no hydrogen 2.892 N/A GLY 61.A N THR 57.A O no hydrogen 2.983 N/A ILE 62.A N LEU 58.A O no hydrogen 2.960 N/A ILE 63.A N ALA 59.A O no hydrogen 2.864 N/A TYR 64.A N THR 60.A O no hydrogen 2.948 N/A TYR 64.A OH LEU 142.A O no hydrogen 2.751 N/A PHE 65.A N GLY 61.A O no hydrogen 2.985 N/A HIS 66.A N ILE 62.A O no hydrogen 2.895 N/A HIS 66.A NE2 LEU 180.A O no hydrogen 2.886 N/A ARG 67.A N ILE 63.A O no hydrogen 2.987 N/A PHE 68.A N TYR 64.A O no hydrogen 2.877 N/A TYR 69.A N PHE 65.A O no hydrogen 3.287 N/A TYR 69.A OH PHE 77.A O no hydrogen 2.653 N/A TYR 69.A OH THR 82.A OG1 no hydrogen 2.729 N/A MET 70.A N ARG 67.A O no hydrogen 2.975 N/A PHE 71.A N PHE 68.A O no hydrogen 2.985 N/A HIS 72.A N PHE 68.A O no hydrogen 3.195 N/A HIS 72.A NE2 THR 137.A OG1 no hydrogen 2.765 N/A SER 73.A OG GLU 26.A OE1 no hydrogen 2.722 N/A PHE 74.A N SER 23.A OG no hydrogen 2.825 N/A LYS 75.A N SER 73.A OG no hydrogen 2.916 N/A GLN 76.A N SER 73.A O no hydrogen 3.155 N/A PHE 77.A N SER 73.A O no hydrogen 3.020 N/A ARG 79.A NE GLU 39.A OE1 no hydrogen 2.848 N/A ARG 79.A NH2 GLU 39.A OE1 no hydrogen 2.812 N/A TYR 80.A N GLN 118.A OE1 no hydrogen 2.875 N/A THR 82.A N PRO 78.A O no hydrogen 3.258 N/A THR 82.A OG1 TYR 69.A OH no hydrogen 2.729 N/A THR 82.A OG1 PRO 78.A O no hydrogen 3.412 N/A GLY 83.A N ARG 79.A O no hydrogen 2.904 N/A ALA 84.A N TYR 80.A O no hydrogen 2.985 N/A CYS 85.A N VAL 81.A O no hydrogen 2.994 N/A CYS 85.A SG VAL 127.A O no hydrogen 3.495 N/A CYS 86.A N THR 82.A O no hydrogen 2.757 N/A CYS 86.A SG THR 82.A O no hydrogen 3.284 N/A LEU 87.A N GLY 83.A O no hydrogen 2.979 N/A PHE 88.A N ALA 84.A O no hydrogen 2.879 N/A LEU 89.A N CYS 85.A O no hydrogen 2.899 N/A ALA 90.A N CYS 86.A O no hydrogen 2.843 N/A GLY 91.A N LEU 87.A O no hydrogen 2.941 N/A LYS 92.A N PHE 88.A O no hydrogen 3.339 N/A LYS 92.A NZ GLU 131.A OE2 no hydrogen 2.660 N/A VAL 93.A N LEU 89.A O no hydrogen 3.004 N/A GLU 94.A N ALA 90.A O no hydrogen 2.912 N/A GLU 95.A N LYS 92.A O no hydrogen 3.111 N/A THR 96.A N GLY 91.A O no hydrogen 2.721 N/A THR 96.A OG1 THR 57.A OG1 no hydrogen 3.141 N/A ASP 102.A N LYS 99.A O no hydrogen 2.953 N/A ILE 103.A N LYS 99.A O no hydrogen 3.153 N/A ILE 104.A N CYS 100.A O no hydrogen 2.938 N/A LYS 105.A N LYS 101.A O no hydrogen 3.085 N/A THR 106.A N ASP 102.A O no hydrogen 3.070 N/A THR 106.A OG1 ASP 102.A O no hydrogen 2.699 N/A ALA 107.A N ILE 103.A O no hydrogen 2.834 N/A ARG 108.A N ILE 104.A O no hydrogen 2.849 N/A ARG 108.A NH1 LEU 111.A O no hydrogen 3.021 N/A ARG 108.A NH1 ASP 113.A OD1 no hydrogen 3.007 N/A ARG 108.A NH2 ASP 113.A OD1 no hydrogen 2.926 N/A SER 109.A N LYS 105.A O no hydrogen 3.090 N/A SER 109.A OG THR 106.A O no hydrogen 2.722 N/A LEU 110.A N THR 106.A O no hydrogen 3.168 N/A LEU 110.A N ALA 107.A O no hydrogen 3.046 N/A LEU 111.A N ALA 107.A O no hydrogen 2.939 N/A ASN 112.A N GLN 115.A OE1 no hydrogen 2.855 N/A GLN 115.A N ASN 112.A OD1 no hydrogen 2.798 N/A PHE 116.A N ASN 112.A O no hydrogen 2.797 N/A GLY 117.A N ASP 113.A O no hydrogen 2.873 N/A GLN 118.A N GLN 115.A O no hydrogen 3.157 N/A PHE 119.A N PHE 116.A O no hydrogen 2.940 N/A GLY 120.A N GLY 117.A O no hydrogen 3.080 N/A GLU 125.A N ASP 122.A OD1 no hydrogen 3.347 N/A GLU 126.A N ASP 122.A O no hydrogen 2.999 N/A VAL 127.A N PRO 123.A O no hydrogen 3.151 N/A MET 128.A N LYS 124.A O no hydrogen 2.930 N/A VAL 129.A N GLU 125.A O no hydrogen 2.862 N/A LEU 130.A N GLU 126.A O no hydrogen 3.067 N/A GLU 131.A N VAL 127.A O no hydrogen 2.958 N/A LEU 134.A N LEU 130.A O no hydrogen 2.803 N/A LEU 135.A N GLU 131.A O no hydrogen 2.852 N/A GLN 136.A N ARG 132.A O no hydrogen 3.185 N/A THR 137.A N ILE 133.A O no hydrogen 2.906 N/A THR 137.A OG1 HIS 72.A NE2 no hydrogen 2.765 N/A THR 137.A OG1 ILE 133.A O no hydrogen 2.705 N/A ILE 138.A N LEU 134.A O no hydrogen 2.901 N/A LYS 139.A N GLN 136.A O no hydrogen 3.055 N/A PHE 140.A N LEU 135.A O no hydrogen 3.055 N/A ASP 141.A N ILE 138.A O no hydrogen 2.911 N/A HIS 146.A NE2 THR 60.A OG1 no hydrogen 2.892 N/A TYR 148.A OH ASN 177.A OD1 no hydrogen 2.630 N/A LEU 151.A N PRO 147.A O no hydrogen 2.912 N/A LEU 152.A N TYR 148.A O no hydrogen 3.020 N/A LYS 153.A N GLN 149.A O no hydrogen 3.051 N/A TYR 154.A N PHE 150.A O no hydrogen 2.803 N/A ALA 155.A N LEU 151.A O no hydrogen 2.937 N/A LYS 156.A N LEU 152.A O no hydrogen 3.108 N/A GLN 157.A N TYR 154.A O no hydrogen 3.005 N/A LEU 158.A N ALA 155.A O no hydrogen 3.084 N/A LYS 159.A N TRP 212.A O no hydrogen 2.655 N/A ASN 163.A N ASP 161.A OD1 no hydrogen 2.683 N/A ASN 163.A ND2 GLN 166.A OE1 no hydrogen 3.584 N/A ILE 165.A N ASP 161.A O no hydrogen 3.006 N/A GLN 166.A N LYS 162.A O no hydrogen 2.880 N/A GLN 166.A NE2 GLN 170.A OE1 no hydrogen 2.730 N/A LYS 167.A N ASN 163.A O no hydrogen 3.157 N/A LEU 168.A N LYS 164.A O no hydrogen 2.869 N/A VAL 169.A N ILE 165.A O no hydrogen 2.926 N/A GLN 170.A N GLN 166.A O no hydrogen 2.968 N/A MET 171.A N LYS 167.A O no hydrogen 2.939 N/A ALA 172.A N LEU 168.A O no hydrogen 2.819 N/A TRP 173.A N VAL 169.A O no hydrogen 2.851 N/A THR 174.A N GLN 170.A O no hydrogen 3.264 N/A THR 174.A OG1 GLN 170.A O no hydrogen 3.394 N/A PHE 175.A N MET 171.A O no hydrogen 2.993 N/A VAL 176.A N ALA 172.A O no hydrogen 2.824 N/A ASN 177.A N TRP 173.A O no hydrogen 3.064 N/A ASP 178.A N THR 174.A O no hydrogen 2.888 N/A SER 179.A N PHE 175.A O no hydrogen 2.832 N/A SER 179.A OG VAL 176.A O no hydrogen 2.717 N/A LEU 180.A N VAL 176.A O no hydrogen 3.300 N/A LEU 180.A N ASN 177.A O no hydrogen 3.133 N/A CYS 181.A N ASP 178.A O no hydrogen 2.970 N/A THR 182.A N SER 179.A O no hydrogen 3.030 N/A THR 182.A OG1 SER 179.A O no hydrogen 2.731 N/A LEU 184.A N THR 182.A OG1 no hydrogen 2.934 N/A LEU 186.A N THR 183.A O no hydrogen 2.845 N/A GLN 187.A N LEU 184.A O no hydrogen 2.929 N/A GLN 187.A NE2 THR 183.A OG1 no hydrogen 2.974 N/A GLN 187.A NE2 GLN 240.A OE1 no hydrogen 2.999 N/A TRP 188.A N LEU 184.A O no hydrogen 3.053 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.791 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 2.810 N/A ILE 192.A N GLU 189.A O no hydrogen 2.935 N/A ILE 193.A N GLU 189.A O no hydrogen 3.076 N/A ALA 194.A N PRO 190.A O no hydrogen 2.882 N/A VAL 195.A N GLU 191.A O no hydrogen 3.117 N/A ALA 196.A N ILE 192.A O no hydrogen 2.865 N/A VAL 197.A N ILE 193.A O no hydrogen 2.887 N/A MET 198.A N ALA 194.A O no hydrogen 3.143 N/A TYR 199.A N VAL 195.A O no hydrogen 2.861 N/A TYR 199.A OH GLU 235.A OE2 no hydrogen 2.592 N/A LEU 200.A N ALA 196.A O no hydrogen 2.812 N/A ALA 201.A N VAL 197.A O no hydrogen 2.961 N/A GLY 202.A N MET 198.A O no hydrogen 2.863 N/A ARG 203.A N TYR 199.A O no hydrogen 2.919 N/A ARG 203.A NH1 TYR 199.A OH no hydrogen 3.152 N/A LEU 204.A N LEU 200.A O no hydrogen 2.970 N/A CYS 205.A N ALA 201.A O no hydrogen 3.034 N/A CYS 205.A SG ALA 201.A O no hydrogen 3.313 N/A LYS 206.A N ARG 203.A O no hydrogen 3.456 N/A PHE 207.A N GLY 202.A O no hydrogen 2.853 N/A GLN 210.A NE2 ARG 219.A O no hydrogen 3.048 N/A GLU 211.A N GLU 208.A O no hydrogen 2.931 N/A TRP 212.A N ILE 209.A O no hydrogen 2.823 N/A THR 213.A OG1 GLN 210.A O no hydrogen 3.299 N/A THR 213.A OG1 LYS 215.A O no hydrogen 2.884 N/A TRP 221.A N GLN 210.A OE1 no hydrogen 2.887 N/A TRP 222.A NE1 VAL 229.A O no hydrogen 2.881 N/A GLU 223.A N ARG 220.A O no hydrogen 2.872 N/A GLN 224.A N TRP 221.A O no hydrogen 3.386 N/A GLN 224.A NE2 TRP 221.A O no hydrogen 3.007 N/A PHE 225.A N TRP 222.A O no hydrogen 2.886 N/A VAL 226.A N TRP 222.A O no hydrogen 3.048 N/A ASP 228.A N GLU 223.A OE1 no hydrogen 2.833 N/A VAL 229.A N GLU 223.A OE2 no hydrogen 2.969 N/A VAL 233.A N PRO 230.A O no hydrogen 2.927 N/A GLU 235.A N VAL 231.A O no hydrogen 2.856 N/A ASP 236.A N ASP 232.A O no hydrogen 2.994 N/A ILE 237.A N VAL 233.A O no hydrogen 3.069 N/A CYS 238.A N LEU 234.A O no hydrogen 2.972 N/A CYS 238.A SG LEU 234.A O no hydrogen 3.350 N/A HIS 239.A N GLU 235.A O no hydrogen 2.965 N/A GLN 240.A N ASP 236.A O no hydrogen 2.978 N/A GLN 240.A NE2 GLN 187.A OE1 no hydrogen 3.002 N/A GLN 240.A NE2 ASP 236.A OD1 no hydrogen 2.814 N/A ILE 241.A N ILE 237.A O no hydrogen 3.078 N/A LEU 242.A N CYS 238.A O no hydrogen 2.876 N/A ASP 243.A N HIS 239.A O no hydrogen 2.905 N/A LEU 244.A N ILE 241.A O no hydrogen 3.008 N/A TYR 245.A N LEU 242.A O no hydrogen 2.843 N/A TYR 245.A OH ASP 178.A OD2 no hydrogen 2.433 N/A SER 246.A N LEU 242.A O no hydrogen 3.112 N/A SER 246.A N ASP 243.A O no hydrogen 3.294 N/A SER 246.A OG LEU 242.A O no hydrogen 2.936 N/A LYS 249.A NZ GLN 240.A O no hydrogen 2.741 N/A GLN 250.A NE2 GLY 248.A O no hydrogen 3.547 N/A HIS 254.A ND1 LYS 16.A O no hydrogen 3.191 N/A