Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6vpl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH GLU 62.A OE2 no hydrogen 2.578 N/A SER 4.A N SER 2.A OG no hydrogen 3.158 N/A TYR 5.A N TYR 91.A OH no hydrogen 2.861 N/A TYR 5.A OH GLU 67.A OE2 no hydrogen 2.844 N/A ASP 6.A N GLU 75.A OE2 no hydrogen 2.804 N/A SER 9.A OG TYR 91.A O no hydrogen 2.649 N/A PHE 11.A N ARG 18.A O no hydrogen 2.860 N/A ASN 13.A ND2 SER 15.A O no hydrogen 3.629 N/A SER 15.A N ASN 13.A OD1 no hydrogen 2.940 N/A SER 16.A OG ASN 13.A O no hydrogen 3.399 N/A LYS 17.A NZ ASP 10.A OD2 no hydrogen 3.337 N/A ARG 18.A NH1 GLN 46.A OE1 no hydrogen 2.801 N/A ARG 18.A NH2 ASP 24.A OD1 no hydrogen 2.929 N/A ARG 18.A NH2 GLN 46.A OE1 no hydrogen 3.144 N/A GLN 19.A NE2 ASP 10.A OD1 no hydrogen 2.432 N/A GLN 19.A NE2 LYS 17.A O no hydrogen 3.187 N/A TRP 20.A N SER 9.A O no hydrogen 2.971 N/A ALA 21.A N ASP 24.A OD2 no hydrogen 2.987 N/A GLU 23.A N GLU 23.A OE1 no hydrogen 2.787 N/A ASP 24.A N ALA 21.A O no hydrogen 2.824 N/A PHE 25.A N LEU 22.A O no hydrogen 3.112 N/A GLU 26.A N ARG 43.A O no hydrogen 2.801 N/A GLY 28.A N LEU 41.A O no hydrogen 2.682 N/A LEU 31.A N VAL 39.A O no hydrogen 2.564 N/A LYS 33.A NZ ASN 38.A OD1 no hydrogen 2.905 N/A GLY 34.A N GLY 37.A O no hydrogen 2.935 N/A ASN 38.A N VAL 55.A O no hydrogen 3.066 N/A VAL 39.A N GLY 32.A O no hydrogen 3.118 N/A TYR 40.A N LEU 53.A O no hydrogen 2.885 N/A LEU 41.A N ARG 29.A O no hydrogen 2.968 N/A ALA 42.A N LEU 51.A O no hydrogen 2.817 N/A ARG 43.A N GLU 26.A O no hydrogen 2.913 N/A ARG 43.A NH1 LYS 48.A O no hydrogen 3.098 N/A GLU 44.A N PHE 49.A O no hydrogen 3.025 N/A LYS 45.A N ASP 24.A O no hydrogen 2.880 N/A LYS 45.A NZ GLU 23.A O no hydrogen 2.843 N/A GLN 46.A N GLU 44.A OE2 no hydrogen 2.820 N/A SER 47.A N GLU 44.A OE1 no hydrogen 2.830 N/A SER 47.A OG GLU 44.A OE1 no hydrogen 2.704 N/A LYS 48.A N GLU 44.A O no hydrogen 2.736 N/A PHE 49.A N SER 47.A OG no hydrogen 3.113 N/A LEU 51.A N ALA 42.A O no hydrogen 2.844 N/A ALA 52.A N LEU 102.A O no hydrogen 2.877 N/A LEU 53.A N TYR 40.A O no hydrogen 2.831 N/A LYS 54.A N LEU 100.A O no hydrogen 2.907 N/A VAL 55.A N ASN 38.A O no hydrogen 2.762 N/A LEU 56.A N VAL 98.A O no hydrogen 2.848 N/A PHE 57.A N PHE 36.A O no hydrogen 2.840 N/A LYS 58.A N THR 96.A O no hydrogen 2.907 N/A LYS 58.A NZ HIS 93.A ND1 no hydrogen 3.009 N/A LYS 58.A NZ ASP 94.A O no hydrogen 2.724 N/A LEU 61.A N PHE 57.A O no hydrogen 2.977 N/A GLU 62.A N LYS 58.A O no hydrogen 2.854 N/A LYS 63.A N ALA 59.A O no hydrogen 3.019 N/A ALA 64.A N GLN 60.A O no hydrogen 3.031 N/A GLY 65.A N GLU 62.A O no hydrogen 3.179 N/A VAL 66.A N LEU 61.A O no hydrogen 3.091 N/A GLN 69.A NE2 GLY 168.A O no hydrogen 2.776 N/A LEU 70.A N VAL 66.A O no hydrogen 3.092 N/A ARG 71.A N GLU 67.A O no hydrogen 2.998 N/A ARG 72.A N HIS 68.A O no hydrogen 3.061 N/A GLU 73.A N GLN 69.A O no hydrogen 2.956 N/A VAL 74.A N LEU 70.A O no hydrogen 2.877 N/A GLU 75.A N ARG 71.A O no hydrogen 2.897 N/A ILE 76.A N ARG 72.A O no hydrogen 2.810 N/A GLN 77.A N GLU 73.A O no hydrogen 2.947 N/A GLN 77.A NE2 LEU 86.A O no hydrogen 2.916 N/A SER 78.A N VAL 74.A O no hydrogen 2.963 N/A SER 78.A OG VAL 74.A O no hydrogen 2.830 N/A SER 78.A OG GLU 75.A O no hydrogen 3.406 N/A SER 78.A OG HIS 79.A ND1 no hydrogen 3.265 N/A HIS 79.A N ILE 76.A O no hydrogen 3.227 N/A HIS 79.A ND1 GLU 75.A O no hydrogen 2.726 N/A LEU 80.A N GLN 77.A O no hydrogen 3.148 N/A ARG 81.A N TYR 138.A OH no hydrogen 2.847 N/A ASN 84.A N HIS 82.A ND1 no hydrogen 3.013 N/A ASN 84.A ND2 LEU 162.A O no hydrogen 3.037 N/A ILE 85.A N HIS 82.A O no hydrogen 3.070 N/A LEU 86.A N ILE 164.A O no hydrogen 2.949 N/A ARG 87.A N GLU 103.A OE2 no hydrogen 2.860 N/A TYR 89.A N ILE 101.A O no hydrogen 2.833 N/A TYR 91.A N PRO 8.A O no hydrogen 3.023 N/A TYR 91.A OH TYR 3.A O no hydrogen 2.654 N/A PHE 92.A N TYR 99.A O no hydrogen 3.040 N/A ASP 94.A N ARG 97.A O no hydrogen 2.924 N/A THR 96.A N ASP 94.A OD1 no hydrogen 3.091 N/A ARG 97.A N ASP 94.A OD1 no hydrogen 2.789 N/A ARG 97.A NE.B ASP 94.A OD1 no hydrogen 3.348 N/A VAL 98.A N LEU 56.A O no hydrogen 2.746 N/A TYR 99.A N PHE 92.A O no hydrogen 2.776 N/A TYR 99.A OH ASP 94.A OD2 no hydrogen 2.653 N/A LEU 100.A N LYS 54.A O no hydrogen 2.832 N/A ILE 101.A N GLY 90.A O no hydrogen 2.886 N/A LEU 102.A N ALA 52.A O no hydrogen 2.757 N/A GLU 103.A N ARG 87.A O no hydrogen 2.871 N/A LEU 107.A N LEU 156.A O no hydrogen 3.068 N/A VAL 110.A N LEU 154.A O no hydrogen 2.850 N/A TYR 111.A N PRO 151.A O no hydrogen 3.273 N/A ARG 112.A N THR 109.A OG1 no hydrogen 2.985 N/A ARG 112.A NE ARG 112.A O no hydrogen 3.052 N/A GLU 113.A N THR 109.A O no hydrogen 3.140 N/A LEU 114.A N VAL 110.A O no hydrogen 2.849 N/A GLN 115.A N TYR 111.A O no hydrogen 3.152 N/A LYS 116.A N ARG 112.A O no hydrogen 3.026 N/A LYS 116.A NZ GLU 113.A OE2 no hydrogen 2.688 N/A LEU 117.A N GLU 113.A O no hydrogen 2.943 N/A SER 118.A N LEU 114.A O no hydrogen 2.775 N/A LYS 119.A N LEU 117.A O no hydrogen 2.794 N/A PHE 120.A N PHE 209.A O no hydrogen 2.727 N/A ARG 124.A N ASP 121.A OD1 no hydrogen 2.763 N/A THR 125.A N ASP 121.A O no hydrogen 3.020 N/A THR 125.A OG1 ASP 121.A O no hydrogen 2.903 N/A ALA 126.A N GLU 122.A O no hydrogen 2.907 N/A THR 127.A N GLN 123.A O no hydrogen 2.951 N/A THR 127.A OG1 GLN 123.A O no hydrogen 2.761 N/A THR 127.A OG1 SER 275.A OG no hydrogen 3.083 N/A TYR 128.A N ARG 124.A O no hydrogen 3.083 N/A ILE 129.A N THR 125.A O no hydrogen 2.926 N/A THR 130.A N ALA 126.A O no hydrogen 3.008 N/A THR 130.A OG1 ALA 126.A O no hydrogen 3.187 N/A THR 130.A OG1 SER 274.A OG no hydrogen 3.064 N/A GLU 131.A N THR 127.A O no hydrogen 3.109 N/A LEU 132.A N TYR 128.A O no hydrogen 2.944 N/A ALA 133.A N ILE 129.A O no hydrogen 2.830 N/A ASN 134.A N THR 130.A O no hydrogen 2.846 N/A ALA 135.A N GLU 131.A O no hydrogen 2.937 N/A LEU 136.A N LEU 132.A O no hydrogen 2.794 N/A SER 137.A N ALA 133.A O no hydrogen 2.781 N/A TYR 138.A N ASN 134.A O no hydrogen 3.003 N/A CYS 139.A N ALA 135.A O no hydrogen 2.900 N/A CYS 139.A SG ALA 135.A O no hydrogen 3.523 N/A HIS 140.A N LEU 136.A O no hydrogen 2.925 N/A SER 141.A N SER 137.A O no hydrogen 2.978 N/A SER 141.A OG TYR 138.A O no hydrogen 2.479 N/A LYS 142.A N TYR 138.A O no hydrogen 3.144 N/A LYS 142.A N CYS 139.A O no hydrogen 3.013 N/A ARG 143.A N HIS 140.A O no hydrogen 2.971 N/A ARG 143.A NH1 HIS 140.A O no hydrogen 2.769 N/A VAL 144.A N CYS 139.A O no hydrogen 2.794 N/A ILE 145.A N VAL 171.A O no hydrogen 2.967 N/A HIS 146.A N ASP 198.A OD2 no hydrogen 2.877 N/A HIS 146.A NE2 ALA 165.A O no hydrogen 2.861 N/A ARG 147.A N ASP 198.A OD1 no hydrogen 2.826 N/A ARG 147.A NE TRP 169.A O no hydrogen 2.857 N/A ARG 147.A NH1 MET 192.A O no hydrogen 2.898 N/A ARG 147.A NH2 TRP 169.A O no hydrogen 3.041 N/A ASP 148.A N HIS 146.A ND1 no hydrogen 3.001 N/A GLU 152.A N GLU 152.A OE1 no hydrogen 2.754 N/A ASN 153.A N LYS 150.A O no hydrogen 2.800 N/A ASN 153.A ND2 ASP 148.A O no hydrogen 2.819 N/A ASN 153.A ND2 ASP 148.A OD2 no hydrogen 3.140 N/A ASN 153.A ND2 ASP 166.A OD2 no hydrogen 3.213 N/A LEU 154.A N PRO 151.A O no hydrogen 3.180 N/A LEU 155.A N LYS 163.A O no hydrogen 2.874 N/A GLY 157.A N GLU 161.A O no hydrogen 2.801 N/A ALA 159.A N GLU 161.A OE1 no hydrogen 2.953 N/A GLY 160.A N GLY 157.A O no hydrogen 2.830 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.683 N/A LEU 162.A N GLU 131.A OE1 no hydrogen 2.896 N/A LYS 163.A N LEU 155.A O no hydrogen 2.746 N/A LYS 163.A NZ PRO 83.A O no hydrogen 2.912 N/A LYS 163.A NZ GLU 103.A OE1 no hydrogen 2.735 N/A ILE 164.A N ASN 84.A O no hydrogen 2.921 N/A ALA 165.A N ASN 153.A O no hydrogen 2.918 N/A GLY 168.A N ASP 166.A OD1 no hydrogen 3.212 N/A SER 170.A N PHE 167.A O no hydrogen 3.157 N/A SER 170.A OG.A PHE 167.A O no hydrogen 2.888 N/A SER 170.A OG.B HIS 146.A O no hydrogen 2.967 N/A SER 170.A OG.B PHE 167.A O no hydrogen 3.502 N/A VAL 171.A N ILE 145.A O no hydrogen 3.062 N/A ALA 173.A N ARG 143.A O no hydrogen 2.758 N/A LEU 183.A N LEU 180.A O no hydrogen 3.089 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.846 N/A MET 187.A N PRO 184.A O no hydrogen 2.919 N/A ILE 188.A N PRO 184.A O no hydrogen 3.206 N/A GLU 189.A N PRO 185.A O no hydrogen 2.954 N/A GLY 190.A N GLU 186.A O no hydrogen 3.032 N/A ARG 191.A NE GLU 189.A OE1 no hydrogen 3.220 N/A HIS 193.A N GLY 190.A O no hydrogen 2.867 N/A ASP 194.A N ARG 191.A O no hydrogen 3.203 N/A LYS 196.A N ASP 194.A OD1 no hydrogen 2.866 N/A LYS 196.A NZ ARG 258.A O no hydrogen 2.782 N/A VAL 197.A N ASP 194.A O no hydrogen 2.911 N/A ASP 198.A N GLU 195.A O no hydrogen 3.174 N/A LEU 199.A N LYS 196.A O no hydrogen 3.071 N/A SER 201.A OG ASP 198.A O no hydrogen 2.980 N/A LEU 202.A N ASP 198.A O no hydrogen 3.144 N/A GLY 203.A N LEU 199.A O no hydrogen 3.237 N/A VAL 204.A N TRP 200.A O no hydrogen 3.009 N/A LEU 205.A N SER 201.A O no hydrogen 2.882 N/A CYS 206.A N LEU 202.A O no hydrogen 2.976 N/A TYR 207.A N GLY 203.A O no hydrogen 3.081 N/A TYR 207.A OH THR 234.A O no hydrogen 2.661 N/A GLU 208.A N VAL 204.A O no hydrogen 2.904 N/A PHE 209.A N LEU 205.A O no hydrogen 2.800 N/A LEU 210.A N CYS 206.A O no hydrogen 3.261 N/A VAL 211.A N TYR 207.A O no hydrogen 2.872 N/A GLY 212.A N GLU 208.A O no hydrogen 2.671 N/A GLU 217.A N PRO 214.A O no hydrogen 3.360 N/A GLN 222.A N GLN 222.A OE1 no hydrogen 2.763 N/A GLU 223.A N THR 220.A OG1 no hydrogen 3.179 N/A THR 224.A N THR 220.A O no hydrogen 3.052 N/A THR 224.A OG1 PHE 216.A O no hydrogen 3.484 N/A THR 224.A OG1 THR 220.A O no hydrogen 3.183 N/A TYR 225.A N TYR 221.A O no hydrogen 2.855 N/A LYS 226.A N GLN 222.A O no hydrogen 2.986 N/A ARG 227.A N GLU 223.A O no hydrogen 2.969 N/A ARG 227.A NE GLU 223.A OE2 no hydrogen 2.927 N/A ARG 227.A NH1 GLU 217.A O no hydrogen 2.927 N/A ARG 227.A NH2 GLU 223.A OE2 no hydrogen 3.336 N/A ILE 228.A N THR 224.A O no hydrogen 2.944 N/A SER 229.A N TYR 225.A O no hydrogen 2.757 N/A ARG 230.A N LYS 226.A O no hydrogen 2.878 N/A VAL 231.A N ILE 228.A O no hydrogen 3.064 N/A GLU 232.A N ARG 227.A O no hydrogen 2.814 N/A VAL 239.A N PRO 236.A O no hydrogen 3.302 N/A THR 240.A OG1 GLU 122.A OE2 no hydrogen 2.694 N/A ARG 244.A N THR 240.A O no hydrogen 2.941 N/A ARG 244.A NE VAL 239.A O no hydrogen 2.748 N/A ARG 244.A NH2 ASP 237.A O no hydrogen 3.286 N/A ARG 244.A NH2 VAL 239.A O no hydrogen 3.223 N/A ASP 245.A N GLU 241.A O no hydrogen 2.996 N/A LEU 246.A N GLY 242.A O no hydrogen 3.139 N/A ILE 247.A N ALA 243.A O no hydrogen 2.976 N/A SER 248.A N ARG 244.A O no hydrogen 2.915 N/A SER 248.A OG ARG 244.A O no hydrogen 3.072 N/A ARG 249.A N ASP 245.A O no hydrogen 2.997 N/A ARG 249.A NH1.A ARG 249.A O no hydrogen 2.848 N/A ARG 249.A NH1.A GLN 257.A O no hydrogen 2.830 N/A ARG 249.A NH1.B ASP 245.A OD1 no hydrogen 2.764 N/A ARG 249.A NH2.A GLN 257.A O no hydrogen 3.162 N/A LEU 250.A N LEU 246.A O no hydrogen 3.064 N/A LEU 251.A N ILE 247.A O no hydrogen 2.989 N/A LYS 252.A N LEU 250.A O no hydrogen 2.920 N/A SER 256.A N ASN 254.A OD1 no hydrogen 3.063 N/A SER 256.A OG ASN 254.A OD1 no hydrogen 2.907 N/A GLN 257.A N ASN 254.A O no hydrogen 2.875 N/A ARG 258.A N PRO 255.A O no hydrogen 3.038 N/A ARG 258.A NE LYS 252.A O no hydrogen 2.812 N/A ARG 258.A NH1 LYS 196.A O no hydrogen 2.909 N/A ARG 258.A NH2 LYS 252.A O no hydrogen 3.020 N/A MET 260.A N GLU 263.A OE1 no hydrogen 2.793 N/A ARG 262.A NE GLU 266.A OE2 no hydrogen 2.714 N/A VAL 264.A N MET 260.A O no hydrogen 3.278 N/A LEU 265.A N LEU 261.A O no hydrogen 2.898 N/A GLU 266.A N ARG 262.A O no hydrogen 2.870 N/A HIS 267.A N VAL 264.A O no hydrogen 3.118 N/A HIS 267.A NE2 ASP 245.A OD1 no hydrogen 2.676 N/A TRP 269.A N HIS 267.A ND1 no hydrogen 3.053 N/A TRP 269.A NE1 GLU 122.A OE2 no hydrogen 2.724 N/A THR 271.A N HIS 267.A O no hydrogen 2.969 N/A THR 271.A OG1 HIS 267.A O no hydrogen 3.501 N/A THR 271.A OG1 PRO 268.A O no hydrogen 3.208 N/A ALA 272.A N PRO 268.A O no hydrogen 3.073 N/A ASN 273.A N TRP 269.A O no hydrogen 3.273 N/A ASN 273.A N ILE 270.A O no hydrogen 3.216 N/A ASN 273.A ND2 GLN 123.A OE1 no hydrogen 2.677 N/A SER 274.A N ILE 270.A O no hydrogen 2.769 N/A SER 274.A OG THR 130.A OG1 no hydrogen 3.064 N/A SER 274.A OG LYS 276.A O no hydrogen 3.107 N/A SER 275.A N THR 127.A OG1 no hydrogen 3.191 N/A SER 275.A OG THR 127.A OG1 no hydrogen 3.083 N/A LYS 276.A N SER 274.A OG no hydrogen 3.146 N/A