Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8j5f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 GLY 52.A O no hydrogen 2.894 N/A ASN 3.A ND2 ASP 6.A OD2 no hydrogen 2.828 N/A GLY 8.A N ASP 6.A OD1 no hydrogen 2.661 N/A ARG 10.A NE SER 12.A OG no hydrogen 2.815 N/A ARG 10.A NH1 GLY 17.A O no hydrogen 3.274 N/A ARG 10.A NH1 ARG 95.A O no hydrogen 3.110 N/A ARG 10.A NH2 SER 12.A OG no hydrogen 3.229 N/A ARG 10.A NH2 ARG 15.A O no hydrogen 3.167 N/A ARG 10.A NH2 GLY 17.A O no hydrogen 2.768 N/A SER 12.A OG ARG 15.A O no hydrogen 2.746 N/A ARG 15.A N SER 12.A O no hydrogen 3.169 N/A ARG 15.A NE GLY 238.A OXT no hydrogen 2.805 N/A ARG 15.A NH1 GLY 97.A O no hydrogen 2.898 N/A ARG 15.A NH2 GLY 97.A O no hydrogen 3.103 N/A GLY 19.A N LEU 93.A O no hydrogen 3.004 N/A HIS 20.A N THR 99.A OG1 no hydrogen 3.324 N/A HIS 20.A ND1 LEU 235.A O no hydrogen 2.874 N/A TYR 21.A N ASP 145.A OD2 no hydrogen 2.853 N/A TYR 21.A OH HIS 106.A ND1 no hydrogen 2.840 N/A ILE 22.A N MET 100.A O no hydrogen 2.788 N/A ALA 23.A N LEU 146.A O no hydrogen 2.897 N/A ILE 24.A N MET 102.A O no hydrogen 2.962 N/A SER 25.A N VAL 148.A O no hydrogen 2.807 N/A SER 25.A OG ASP 108.A OD2 no hydrogen 2.677 N/A SER 25.A OG HIS 195.A NE2 no hydrogen 2.888 N/A ASN 27.A N ASN 151.A OD1 no hydrogen 3.037 N/A ASN 27.A ND2 VAL 184.A O no hydrogen 2.976 N/A LYS 32.A NZ GLY 26.A O no hydrogen 3.200 N/A LYS 32.A NZ ASN 27.A O no hydrogen 2.843 N/A LEU 35.A N GLY 31.A O no hydrogen 3.254 N/A ILE 36.A N LYS 32.A O no hydrogen 2.791 N/A GLU 37.A N THR 33.A O no hydrogen 3.113 N/A THR 38.A OG1 THR 34.A O no hydrogen 3.506 N/A LEU 39.A N LEU 35.A O no hydrogen 2.919 N/A ALA 40.A N ILE 36.A O no hydrogen 2.997 N/A GLY 41.A N GLU 37.A O no hydrogen 3.350 N/A SER 42.A N.A THR 38.A O no hydrogen 2.953 N/A SER 42.A N.B THR 38.A O no hydrogen 2.957 N/A SER 42.A N.B LEU 39.A O no hydrogen 3.129 N/A SER 42.A OG.A THR 38.A O no hydrogen 3.078 N/A SER 42.A OG.B THR 38.A O no hydrogen 3.537 N/A SER 42.A OG.B LEU 39.A O no hydrogen 2.658 N/A LEU 43.A N LEU 39.A O no hydrogen 2.953 N/A ARG 44.A N ALA 40.A O no hydrogen 3.002 N/A ARG 44.A NH1 GLN 2.A OE1 no hydrogen 2.935 N/A ARG 44.A NH1 ALA 50.A O no hydrogen 3.005 N/A ALA 45.A N GLY 41.A O no hydrogen 2.979 N/A ALA 46.A N SER 42.A O.A no hydrogen 3.093 N/A ALA 46.A N SER 42.A O.B no hydrogen 3.117 N/A GLY 47.A N ARG 44.A O no hydrogen 2.918 N/A ALA 48.A N LEU 43.A O no hydrogen 3.007 N/A VAL 51.A N THR 99.A O no hydrogen 2.858 N/A GLY 52.A N GLN 2.A OE1 no hydrogen 2.940 N/A VAL 53.A N VAL 101.A O no hydrogen 2.800 N/A GLU 55.A N GLU 103.A OE1 no hydrogen 2.787 N/A ARG 56.A NH2 GLU 173.A OE2 no hydrogen 3.110 N/A VAL 57.A N SER 54.A O no hydrogen 3.111 N/A PHE 58.A N GLU 55.A O no hydrogen 2.775 N/A TYR 62.A N HIS 60.A ND1 no hydrogen 2.996 N/A LEU 63.A N HIS 60.A O no hydrogen 2.982 N/A LEU 65.A N TYR 62.A O no hydrogen 2.969 N/A MET 66.A N LEU 63.A O no hydrogen 2.943 N/A PHE 67.A N LYS 64.A O no hydrogen 3.070 N/A SER 68.A N LYS 64.A O no hydrogen 3.009 N/A SER 68.A OG LYS 64.A O no hydrogen 3.294 N/A ALA 69.A N LEU 65.A O no hydrogen 2.856 N/A ASP 72.A N ALA 69.A O no hydrogen 3.053 N/A PHE 73.A N ALA 69.A O no hydrogen 2.994 N/A ALA 74.A N SER 70.A O no hydrogen 2.939 N/A ILE 77.A N PHE 73.A O no hydrogen 2.989 N/A GLN 78.A N ALA 74.A O no hydrogen 2.870 N/A LEU 79.A N PHE 75.A O no hydrogen 2.996 N/A SER 80.A N PRO 76.A O no hydrogen 2.949 N/A PHE 81.A N ILE 77.A O no hydrogen 2.999 N/A MET 82.A N GLN 78.A O no hydrogen 3.161 N/A LEU 83.A N LEU 79.A O no hydrogen 2.891 N/A GLU 84.A N SER 80.A O no hydrogen 2.891 N/A ARG 85.A N PHE 81.A O no hydrogen 3.046 N/A ARG 85.A NE ASP 109.A OD2 no hydrogen 2.838 N/A ARG 85.A NH1 GLU 103.A O no hydrogen 2.803 N/A ARG 85.A NH2 GLU 55.A OE2 no hydrogen 2.649 N/A ARG 85.A NH2 ASP 109.A OD1 no hydrogen 2.963 N/A HIS 86.A N MET 82.A O no hydrogen 2.886 N/A LEU 87.A N LEU 83.A O no hydrogen 2.978 N/A LEU 88.A N GLU 84.A O no hydrogen 3.154 N/A LEU 89.A N ARG 85.A O no hydrogen 3.020 N/A LEU 90.A N HIS 86.A O no hydrogen 2.741 N/A ASP 91.A N LEU 87.A O no hydrogen 2.976 N/A ASN 92.A N LEU 88.A O no hydrogen 2.873 N/A ASN 92.A ND2 LEU 4.A O no hydrogen 2.957 N/A ASN 92.A ND2 LEU 88.A O no hydrogen 3.143 N/A LEU 93.A N LEU 89.A O no hydrogen 2.963 N/A VAL 94.A N LEU 89.A O no hydrogen 3.134 N/A ARG 95.A N LEU 90.A O no hydrogen 2.871 N/A ARG 95.A NE ASP 91.A OD1 no hydrogen 2.973 N/A ARG 95.A NH1 GLY 8.A O no hydrogen 2.721 N/A ARG 95.A NH2 GLY 8.A O no hydrogen 2.833 N/A ARG 95.A NH2 ASP 91.A OD1 no hydrogen 2.955 N/A ARG 96.A N ASP 91.A O no hydrogen 2.829 N/A ARG 96.A NE ASP 91.A OD1 no hydrogen 3.124 N/A ARG 96.A NE ASP 91.A OD2 no hydrogen 3.322 N/A ARG 96.A NH1 ASN 3.A O no hydrogen 3.147 N/A ARG 96.A NH2 ASN 3.A O no hydrogen 3.022 N/A ARG 96.A NH2 ASP 91.A OD2 no hydrogen 2.670 N/A ARG 98.A N ASN 92.A O no hydrogen 2.820 N/A ARG 98.A NE ASP 49.A OD1 no hydrogen 3.083 N/A ARG 98.A NE ASP 49.A OD2 no hydrogen 3.484 N/A ARG 98.A NH1 GLN 2.A O no hydrogen 2.890 N/A ARG 98.A NH1 ASN 92.A OD1 no hydrogen 2.990 N/A ARG 98.A NH2 GLN 2.A O no hydrogen 3.018 N/A ARG 98.A NH2 ASP 49.A OD1 no hydrogen 3.261 N/A THR 99.A N ASP 49.A O no hydrogen 2.810 N/A MET 100.A N HIS 20.A O no hydrogen 2.826 N/A VAL 101.A N VAL 51.A O no hydrogen 2.837 N/A MET 102.A N ILE 22.A O no hydrogen 2.849 N/A GLU 103.A N VAL 53.A O no hydrogen 2.938 N/A ARG 104.A N ILE 24.A O no hydrogen 2.739 N/A ARG 104.A NE GLU 55.A OE1 no hydrogen 3.466 N/A ARG 104.A NE GLU 55.A OE2 no hydrogen 2.670 N/A ARG 104.A NH1 TYR 191.A OH no hydrogen 2.949 N/A ARG 104.A NH2 GLU 55.A OE1 no hydrogen 2.986 N/A SER 105.A N ASP 108.A OD1 no hydrogen 3.421 N/A SER 105.A OG ASP 108.A OD1 no hydrogen 3.061 N/A HIS 106.A N TYR 21.A OH no hydrogen 3.166 N/A HIS 106.A ND1 TYR 21.A OH no hydrogen 2.840 N/A LEU 107.A N SER 105.A OG no hydrogen 2.843 N/A ASP 108.A N SER 105.A O no hydrogen 3.120 N/A MET 111.A N ASP 108.A O no hydrogen 3.149 N/A PHE 112.A N ASP 109.A O no hydrogen 2.965 N/A VAL 113.A N ASP 109.A O no hydrogen 3.374 N/A ARG 114.A N ALA 110.A O no hydrogen 2.989 N/A GLU 115.A N MET 111.A O no hydrogen 3.056 N/A HIS 116.A N PHE 112.A O no hydrogen 3.449 N/A VAL 117.A N VAL 113.A O no hydrogen 2.892 N/A ALA 118.A N ARG 114.A O no hydrogen 2.927 N/A SER 119.A N GLU 115.A O no hydrogen 3.040 N/A SER 119.A OG HIS 116.A O no hydrogen 3.089 N/A GLY 120.A N HIS 116.A O no hydrogen 3.045 N/A GLY 120.A N VAL 117.A O no hydrogen 3.213 N/A ALA 121.A N SER 119.A OG no hydrogen 3.254 N/A ILE 122.A N HIS 116.A O no hydrogen 3.109 N/A THR 123.A N GLN 126.A OE1 no hydrogen 2.896 N/A THR 123.A OG1 GLN 126.A OE1 no hydrogen 3.377 N/A GLN 126.A N THR 123.A OG1 no hydrogen 2.927 N/A GLN 127.A N THR 123.A O no hydrogen 2.894 N/A ARG 128.A N ALA 124.A O no hydrogen 2.923 N/A ALA 129.A N ALA 125.A O no hydrogen 3.086 N/A TYR 130.A N GLN 126.A O no hydrogen 2.941 N/A THR 131.A N GLN 127.A O no hydrogen 2.843 N/A THR 131.A OG1 GLN 127.A O no hydrogen 2.977 N/A GLU 132.A N.A ARG 128.A O no hydrogen 3.081 N/A GLU 132.A N.B ARG 128.A O no hydrogen 3.097 N/A VAL 133.A N ALA 129.A O no hydrogen 3.223 N/A SER 134.A N TYR 130.A O no hydrogen 2.770 N/A GLY 135.A N THR 131.A O no hydrogen 2.869 N/A GLU 136.A N GLU 132.A O.A no hydrogen 3.287 N/A GLU 136.A N GLU 132.A O.B no hydrogen 3.324 N/A LEU 137.A N VAL 133.A O no hydrogen 2.894 N/A ASN 138.A N SER 134.A O no hydrogen 2.829 N/A ALA 139.A N GLY 135.A O no hydrogen 3.171 N/A ARG 140.A N LEU 137.A O no hydrogen 3.032 N/A ARG 140.A NH1 GLU 136.A O no hydrogen 2.952 N/A ARG 140.A NH1 GLU 136.A OE1 no hydrogen 2.893 N/A ILE 141.A N ASN 138.A O no hydrogen 3.114 N/A ASN 143.A ND2 ASP 206.A O no hydrogen 2.810 N/A ASP 145.A N TYR 21.A O no hydrogen 2.746 N/A LEU 146.A N TYR 21.A O no hydrogen 3.239 N/A ILE 147.A N GLU 211.A O no hydrogen 2.885 N/A VAL 148.A N ALA 23.A O no hydrogen 2.795 N/A LEU 149.A N LEU 213.A O no hydrogen 2.814 N/A MET 150.A N SER 25.A O no hydrogen 2.953 N/A ASN 151.A ND2 TYR 188.A O no hydrogen 3.563 N/A ASN 151.A ND2 GLN 192.A OE1 no hydrogen 2.804 N/A SER 157.A N GLU 153.A O no hydrogen 3.105 N/A SER 157.A OG THR 28.A O no hydrogen 2.682 N/A LEU 158.A N PRO 154.A O no hydrogen 2.928 N/A GLU 159.A N GLU 155.A O no hydrogen 2.983 N/A ARG 160.A N LEU 156.A O no hydrogen 3.142 N/A ARG 160.A NH1 ALA 29.A O no hydrogen 2.968 N/A ARG 160.A NH1 ALA 217.A O no hydrogen 3.417 N/A ARG 160.A NH2 ALA 217.A O no hydrogen 3.048 N/A LEU 161.A N SER 157.A O no hydrogen 2.905 N/A ALA 162.A N LEU 158.A O no hydrogen 2.884 N/A ARG 163.A N GLU 159.A O no hydrogen 3.166 N/A ALA 164.A N ARG 160.A O no hydrogen 3.116 N/A GLU 165.A N LEU 161.A O no hydrogen 2.891 N/A ALA 166.A N ALA 162.A O no hydrogen 2.915 N/A GLU 167.A N ARG 163.A O no hydrogen 3.012 N/A GLY 168.A N GLU 165.A O no hydrogen 3.148 N/A SER 169.A N ALA 164.A O no hydrogen 2.962 N/A SER 169.A OG ALA 164.A O no hydrogen 3.250 N/A ALA 179.A N SER 176.A OG no hydrogen 2.979 N/A LYS 180.A N SER 176.A O no hydrogen 3.192 N/A LYS 180.A NZ GLU 165.A OE1 no hydrogen 2.506 N/A ARG 181.A N ASP 177.A O no hydrogen 2.988 N/A ALA 182.A N ALA 178.A O no hydrogen 2.768 N/A TRP 183.A N ALA 179.A O no hydrogen 2.975 N/A TRP 183.A NE1 GLU 115.A OE1 no hydrogen 2.900 N/A VAL 184.A N LYS 180.A O no hydrogen 3.076 N/A HIS 185.A N ARG 181.A O no hydrogen 3.067 N/A HIS 185.A ND1 ARG 181.A O no hydrogen 2.909 N/A ARG 186.A N ALA 182.A O no hydrogen 2.918 N/A ARG 186.A NE GLU 115.A OE2 no hydrogen 2.875 N/A ARG 186.A NH2 GLU 115.A OE2 no hydrogen 2.892 N/A TRP 187.A N TRP 183.A O no hydrogen 2.856 N/A TYR 188.A N VAL 184.A O no hydrogen 2.939 N/A ASP 189.A N HIS 185.A O no hydrogen 3.130 N/A LEU 190.A N ARG 186.A O no hydrogen 3.120 N/A TYR 191.A N TRP 187.A O no hydrogen 2.786 N/A TYR 191.A OH ASP 108.A OD2 no hydrogen 2.732 N/A GLN 192.A N TYR 188.A O no hydrogen 2.971 N/A GLU 193.A N ASP 189.A O no hydrogen 3.313 N/A LEU 194.A N LEU 190.A O no hydrogen 2.770 N/A HIS 195.A N TYR 191.A O no hydrogen 2.884 N/A HIS 195.A NE2 SER 25.A OG no hydrogen 2.888 N/A ASP 196.A N GLN 192.A O no hydrogen 3.104 N/A ASP 197.A N GLU 193.A O no hydrogen 2.864 N/A TYR 198.A N LEU 194.A O no hydrogen 2.805 N/A TYR 198.A OH ASP 108.A OD1 no hydrogen 2.763 N/A ARG 199.A N HIS 195.A O no hydrogen 2.957 N/A ARG 199.A NE GLU 214.A OE2 no hydrogen 2.830 N/A ARG 199.A NH1 ASP 196.A OD1 no hydrogen 2.790 N/A ARG 199.A NH2 GLU 214.A OE1 no hydrogen 3.013 N/A ARG 199.A NH2 GLU 214.A OE2 no hydrogen 3.552 N/A ARG 200.A N ASP 196.A O no hydrogen 3.245 N/A ARG 201.A N ASP 197.A O no hydrogen 2.742 N/A ARG 201.A NE ASP 206.A OD2 no hydrogen 2.453 N/A ARG 201.A NH2 ASP 206.A OD1 no hydrogen 2.986 N/A ALA 202.A N TYR 198.A O no hydrogen 2.949 N/A VAL 203.A N ARG 200.A O no hydrogen 3.106 N/A ASP 204.A N ARG 200.A O no hydrogen 2.876 N/A GLY 205.A N ARG 201.A O no hydrogen 2.934 N/A LEU 207.A N ARG 201.A O no hydrogen 3.218 N/A ARG 208.A NH1 VAL 203.A O no hydrogen 2.567 N/A THR 210.A N LEU 207.A O no hydrogen 2.937 N/A THR 210.A OG1 PRO 144.A O no hydrogen 2.686 N/A GLU 211.A N ASP 145.A O no hydrogen 2.978 N/A LEU 213.A N ILE 147.A O no hydrogen 2.963 N/A LEU 215.A N LEU 149.A O no hydrogen 2.952 N/A ALA 218.A N ASP 216.A OD1 no hydrogen 2.871 N/A ALA 219.A N ASP 216.A O no hydrogen 3.031 N/A GLU 222.A N GLU 222.A OE1 no hydrogen 2.769 N/A GLU 223.A N SER 220.A OG no hydrogen 3.112 N/A LYS 224.A N SER 220.A O no hydrogen 2.973 N/A LYS 224.A NZ ALA 30.A O no hydrogen 2.732 N/A LYS 224.A NZ ALA 217.A O no hydrogen 2.825 N/A ILE 225.A N PRO 221.A O no hydrogen 2.990 N/A ALA 226.A N GLU 222.A O no hydrogen 3.078 N/A THR 227.A N GLU 223.A O no hydrogen 2.925 N/A THR 227.A OG1 GLU 223.A O no hydrogen 3.034 N/A VAL 228.A N LYS 224.A O no hydrogen 2.985 N/A THR 229.A N ILE 225.A O no hydrogen 2.857 N/A THR 229.A OG1 ILE 225.A O no hydrogen 2.696 N/A ALA 230.A N ALA 226.A O no hydrogen 3.104 N/A ARG 231.A N VAL 228.A O no hydrogen 3.098 N/A ALA 232.A N VAL 228.A O no hydrogen 2.831 N/A ARG 233.A N THR 229.A O no hydrogen 2.914 N/A SER 234.A N ARG 231.A O no hydrogen 3.407 N/A LEU 235.A N ALA 232.A O no hydrogen 2.917 N/A VAL 236.A N ARG 233.A O no hydrogen 3.497 N/A