Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8vq5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N HIS 3.A ND1 no hydrogen 3.432 N/A HIS 4.A ND1 HIS 4.A O no hydrogen 2.612 N/A GLY 6.A N ASN 11.A O no hydrogen 2.848 N/A GLY 8.A N ASN 11.A OD1 no hydrogen 2.923 N/A ASN 11.A N GLY 8.A O no hydrogen 3.315 N/A ASN 11.A ND2 HIS 4.A O no hydrogen 3.182 N/A HIS 15.A N GLY 12.A O no hydrogen 2.795 N/A HIS 15.A NE2 LYS 9.A O no hydrogen 2.955 N/A TRP 16.A N PRO 13.A O no hydrogen 3.466 N/A TRP 16.A NE1 GLY 6.A O no hydrogen 3.084 N/A TRP 16.A NE1 ASN 11.A O no hydrogen 3.093 N/A LYS 18.A N HIS 15.A O no hydrogen 3.094 N/A LYS 18.A NZ HIS 15.A ND1 no hydrogen 2.812 N/A ASP 19.A N TRP 16.A O no hydrogen 3.107 N/A PHE 20.A N TRP 16.A O no hydrogen 2.850 N/A ALA 23.A N PHE 20.A O no hydrogen 2.901 N/A LYS 24.A N PRO 21.A O no hydrogen 3.198 N/A GLY 25.A N ILE 22.A O no hydrogen 2.756 N/A ARG 27.A N GLU 204.A OE2 no hydrogen 2.957 N/A ARG 27.A NE GLY 195.A O no hydrogen 2.969 N/A ARG 27.A NH1 PRO 137.A O no hydrogen 3.370 N/A ARG 27.A NH2 PRO 137.A O no hydrogen 3.170 N/A ARG 27.A NH2 GLY 195.A O no hydrogen 3.007 N/A ARG 27.A NH2 VAL 206.A O no hydrogen 3.034 N/A GLN 28.A NE2 LEU 202.A O no hydrogen 3.074 N/A GLN 28.A NE2 GLU 204.A OE2 no hydrogen 3.123 N/A SER 29.A N SER 196.A OG no hydrogen 2.859 N/A SER 29.A OG TYR 193.A OH no hydrogen 2.788 N/A SER 29.A OG SER 196.A O no hydrogen 3.528 N/A ILE 33.A N THR 108.A O no hydrogen 2.829 N/A THR 35.A N ASP 110.A OD1 no hydrogen 2.818 N/A THR 35.A OG1 ASP 110.A OD1 no hydrogen 3.312 N/A THR 35.A OG1 ASP 110.A OD2 no hydrogen 2.623 N/A HIS 36.A N ASP 34.A OD1 no hydrogen 3.084 N/A THR 37.A N ASP 34.A O no hydrogen 3.145 N/A THR 37.A N ASP 34.A OD1 no hydrogen 3.338 N/A THR 37.A OG1 ASP 34.A OD2 no hydrogen 2.965 N/A ALA 38.A N ASP 34.A O no hydrogen 3.034 N/A LYS 39.A N ILE 255.A O no hydrogen 3.173 N/A ASP 41.A N ALA 257.A O no hydrogen 3.005 N/A SER 43.A N ASP 41.A OD1 no hydrogen 3.094 N/A SER 43.A OG ASP 41.A OD1 no hydrogen 2.586 N/A SER 43.A OG ASP 41.A OD2 no hydrogen 3.421 N/A LEU 44.A N ASP 41.A O no hydrogen 3.033 N/A SER 48.A N LYS 80.A O no hydrogen 2.915 N/A SER 50.A N VAL 78.A O no hydrogen 2.826 N/A TYR 51.A OH HIS 122.A NE2 no hydrogen 2.726 N/A ALA 54.A N TYR 51.A O no hydrogen 3.103 N/A THR 55.A OG1 GLN 53.A O no hydrogen 3.533 N/A SER 56.A OG PHE 175.A O no hydrogen 2.551 N/A LEU 57.A N GLU 69.A O no hydrogen 2.842 N/A ARG 58.A NE GLU 69.A OE1 no hydrogen 2.764 N/A ARG 58.A NH1 GLU 69.A OE1 no hydrogen 3.320 N/A ARG 58.A NH1 GLU 69.A OE2 no hydrogen 2.809 N/A ILE 59.A N ALA 173.A O no hydrogen 2.932 N/A LEU 60.A N ASN 67.A O no hydrogen 2.924 N/A ASN 61.A N LYS 171.A O no hydrogen 2.899 N/A ASN 61.A ND2 ILE 166.A O no hydrogen 3.138 N/A ASN 61.A ND2 ASN 229.A O no hydrogen 3.156 N/A ASN 62.A N ALA 65.A O no hydrogen 3.087 N/A GLY 63.A N ASN 61.A OD1 no hydrogen 2.874 N/A HIS 64.A N ASN 62.A OD1 no hydrogen 2.914 N/A ALA 65.A N ASN 62.A OD1 no hydrogen 2.865 N/A ASN 67.A N LEU 60.A O no hydrogen 2.862 N/A VAL 68.A N PHE 93.A O no hydrogen 2.870 N/A GLU 69.A N ARG 58.A O no hydrogen 2.860 N/A PHE 70.A N ILE 91.A O no hydrogen 2.928 N/A ASP 71.A N THR 55.A O no hydrogen 2.966 N/A SER 73.A N ASP 71.A OD1 no hydrogen 2.880 N/A SER 73.A OG ASP 71.A OD1 no hydrogen 2.748 N/A LYS 76.A N GLN 74.A O no hydrogen 2.952 N/A LYS 76.A NZ THR 55.A OG1 no hydrogen 3.082 N/A LYS 76.A NZ ASP 71.A OD2 no hydrogen 2.882 N/A VAL 78.A N SER 50.A O no hydrogen 2.925 N/A LEU 79.A N TYR 88.A O no hydrogen 2.847 N/A LYS 80.A N SER 48.A O no hydrogen 2.933 N/A GLY 82.A N PRO 46.A O no hydrogen 3.006 N/A LEU 84.A N GLY 81.A O no hydrogen 2.907 N/A TYR 88.A N LEU 79.A O no hydrogen 3.026 N/A TYR 88.A OH ASP 138.A O no hydrogen 3.011 N/A ARG 89.A N TRP 123.A O no hydrogen 2.806 N/A ARG 89.A NE ASP 75.A OD1 no hydrogen 2.795 N/A ARG 89.A NH1 ASP 72.A O no hydrogen 2.934 N/A ARG 89.A NH2 ASP 75.A OD1 no hydrogen 2.959 N/A LEU 90.A N ALA 77.A O no hydrogen 2.890 N/A ILE 91.A N VAL 121.A O no hydrogen 2.963 N/A PHE 93.A N VAL 68.A O no hydrogen 2.921 N/A HIS 94.A N HIS 119.A O no hydrogen 3.102 N/A HIS 94.A ND1 GLN 92.A OE1 no hydrogen 2.772 N/A HIS 94.A NE2 HIS 96.A NE2 no hydrogen 3.154 N/A HIS 96.A N GLU 117.A O no hydrogen 2.880 N/A HIS 96.A ND1 ASN 243.A O no hydrogen 2.737 N/A HIS 96.A NE2 HIS 94.A NE2 no hydrogen 3.154 N/A TRP 97.A N ASN 243.A OD1 no hydrogen 2.819 N/A TRP 97.A NE1 MET 240.A O no hydrogen 2.844 N/A SER 99.A N ASP 242.A OD1 no hydrogen 3.019 N/A SER 99.A OG ASP 242.A OD2 no hydrogen 2.722 N/A GLN 103.A N LEU 100.A O no hydrogen 3.272 N/A GLN 103.A NE2 ASP 242.A OD1 no hydrogen 2.896 N/A SER 105.A N TYR 114.A O no hydrogen 2.980 N/A SER 105.A OG HIS 107.A O no hydrogen 2.837 N/A GLU 106.A N GLU 117.A OE1 no hydrogen 2.896 N/A HIS 107.A N GLU 117.A OE1 no hydrogen 2.829 N/A HIS 107.A ND1 GLU 117.A OE2 no hydrogen 2.761 N/A HIS 107.A NE2 TYR 193.A OH no hydrogen 2.633 N/A THR 108.A N VAL 31.A O no hydrogen 3.489 N/A THR 108.A OG1 ASP 32.A OD1 no hydrogen 2.664 N/A VAL 109.A N LYS 112.A O no hydrogen 3.062 N/A ASP 110.A N ILE 33.A O no hydrogen 2.887 N/A LYS 111.A N ASP 32.A OD1 no hydrogen 2.789 N/A LYS 112.A N VAL 109.A O no hydrogen 2.871 N/A TYR 114.A N SER 105.A OG no hydrogen 2.915 N/A ALA 115.A N LEU 147.A O no hydrogen 3.061 N/A ALA 116.A N LEU 147.A O no hydrogen 3.396 N/A GLU 117.A N HIS 96.A O no hydrogen 2.935 N/A LEU 118.A N ILE 145.A O no hydrogen 2.801 N/A HIS 119.A N HIS 94.A O no hydrogen 2.871 N/A HIS 119.A NE2 GLU 117.A OE2 no hydrogen 2.643 N/A LEU 120.A N LEU 143.A O no hydrogen 2.886 N/A VAL 121.A N GLN 92.A O no hydrogen 2.835 N/A HIS 122.A N ALA 141.A O no hydrogen 2.870 N/A HIS 122.A ND1 ALA 141.A O no hydrogen 3.018 N/A HIS 122.A NE2 TYR 51.A OH no hydrogen 2.726 N/A TRP 123.A N ARG 89.A O no hydrogen 2.954 N/A TRP 123.A NE1 ASP 72.A OD2 no hydrogen 2.719 N/A ASN 124.A N GLY 139.A O no hydrogen 2.776 N/A ASN 124.A ND2 ASP 138.A O no hydrogen 3.242 N/A THR 125.A N THR 87.A O no hydrogen 2.965 N/A THR 125.A OG1 THR 87.A O no hydrogen 3.261 N/A LYS 126.A N ASN 124.A OD1 no hydrogen 3.147 N/A LYS 126.A NZ ASP 138.A OD2 no hydrogen 3.172 N/A TYR 127.A N ASN 124.A O no hydrogen 2.971 N/A TYR 127.A OH ASP 138.A OD1 no hydrogen 2.575 N/A GLY 128.A N THR 125.A O no hydrogen 3.143 N/A ASP 129.A N TYR 127.A O no hydrogen 2.898 N/A LYS 132.A N ASP 129.A OD1 no hydrogen 2.986 N/A LYS 132.A NZ ASP 129.A OD2 no hydrogen 3.091 N/A ALA 133.A N ASP 129.A O no hydrogen 3.001 N/A VAL 134.A N PHE 130.A O no hydrogen 3.081 N/A GLN 135.A N LYS 132.A O no hydrogen 3.097 N/A GLN 135.A NE2 GLY 131.A O no hydrogen 3.105 N/A GLN 136.A N ALA 133.A O no hydrogen 3.008 N/A GLN 136.A NE2 LYS 132.A O no hydrogen 3.292 N/A GLY 139.A N GLN 136.A O no hydrogen 3.113 N/A LEU 140.A N CYS 205.A O no hydrogen 2.841 N/A ALA 141.A N HIS 122.A O no hydrogen 2.851 N/A VAL 142.A N THR 207.A O no hydrogen 3.260 N/A LEU 143.A N LEU 120.A O no hydrogen 2.948 N/A GLY 144.A N ILE 209.A O no hydrogen 2.817 N/A ILE 145.A N LEU 118.A O no hydrogen 2.863 N/A LEU 147.A N ALA 116.A O no hydrogen 2.936 N/A LYS 148.A N ILE 215.A O no hydrogen 2.944 N/A GLY 150.A N VAL 217.A O no hydrogen 2.743 N/A SER 151.A OG.A SER 216.A OG.B no hydrogen 3.065 N/A LYS 153.A N GLN 221.A OE1 no hydrogen 2.999 N/A LYS 153.A NZ LEU 184.A O no hydrogen 3.325 N/A LEU 156.A N LYS 153.A O no hydrogen 2.962 N/A GLN 157.A N PRO 154.A O no hydrogen 3.087 N/A GLN 157.A NE2 ASP 161.A OD1 no hydrogen 3.244 N/A GLN 157.A NE2 ASP 161.A OD2 no hydrogen 3.181 N/A VAL 159.A N LEU 156.A O no hydrogen 3.044 N/A VAL 160.A N LEU 156.A O no hydrogen 3.230 N/A ASP 161.A N GLN 157.A O no hydrogen 2.905 N/A VAL 162.A N VAL 159.A O no hydrogen 3.240 N/A LEU 163.A N VAL 160.A O no hydrogen 3.331 N/A SER 165.A N VAL 162.A O no hydrogen 2.958 N/A SER 165.A OG VAL 162.A O no hydrogen 2.816 N/A ILE 166.A N LEU 163.A O no hydrogen 3.032 N/A LYS 167.A NZ ASN 229.A OD1 no hydrogen 2.915 N/A LYS 167.A NZ GLU 237.A OE2 no hydrogen 3.184 N/A LYS 169.A N ASN 231.A O no hydrogen 2.919 N/A GLY 170.A N ASN 61.A O no hydrogen 2.782 N/A LYS 171.A N THR 168.A O no hydrogen 3.186 N/A LYS 171.A NZ.A SER 165.A O no hydrogen 3.239 N/A LYS 171.A NZ.B GLU 233.A OE1 no hydrogen 3.135 N/A ALA 173.A N ILE 59.A O no hydrogen 2.947 N/A PHE 175.A N LEU 57.A O no hydrogen 2.952 N/A THR 176.A N ASP 174.A OD1 no hydrogen 2.998 N/A THR 176.A OG1 ASP 174.A OD1 no hydrogen 2.803 N/A PHE 178.A N SER 56.A OG no hydrogen 2.939 N/A ARG 181.A N ASP 179.A OD1 no hydrogen 2.993 N/A ARG 181.A NE ASP 179.A OD1 no hydrogen 3.016 N/A ARG 181.A NE ASP 179.A OD2 no hydrogen 3.287 N/A ARG 181.A NH2 ASP 179.A OD2 no hydrogen 3.071 N/A GLY 182.A N ASP 179.A O no hydrogen 3.120 N/A LEU 183.A N PRO 180.A O no hydrogen 3.000 N/A LEU 184.A N ARG 181.A O no hydrogen 3.380 N/A SER 187.A N GLU 213.A OE1 no hydrogen 2.965 N/A ASP 189.A N SER 187.A OG no hydrogen 3.180 N/A TYR 190.A N SER 258.A OG no hydrogen 3.015 N/A TYR 190.A OH LYS 45.A O no hydrogen 2.752 N/A TRP 191.A N VAL 210.A O no hydrogen 2.827 N/A THR 192.A N LYS 256.A O no hydrogen 2.812 N/A THR 192.A OG1 TRP 208.A O no hydrogen 2.773 N/A TYR 193.A N TRP 208.A O no hydrogen 3.286 N/A TYR 193.A OH SER 29.A OG no hydrogen 2.788 N/A TYR 193.A OH HIS 107.A NE2 no hydrogen 2.633 N/A GLY 195.A N VAL 206.A O no hydrogen 2.778 N/A SER 196.A N SER 29.A OG no hydrogen 2.983 N/A SER 196.A OG LEU 197.A O no hydrogen 2.712 N/A LEU 197.A N LEU 203.A O no hydrogen 2.918 N/A THR 198.A OG1 GLU 106.A OE1 no hydrogen 2.657 N/A THR 198.A OG1 GLU 106.A OE2 no hydrogen 3.509 N/A THR 199.A OG1 PRO 200.A O no hydrogen 3.441 N/A LEU 202.A N THR 199.A O no hydrogen 2.801 N/A CYS 205.A SG LEU 203.A O no hydrogen 3.766 N/A VAL 206.A N GLY 195.A O no hydrogen 3.222 N/A THR 207.A N LEU 140.A O no hydrogen 2.863 N/A TRP 208.A N TYR 193.A O no hydrogen 3.000 N/A TRP 208.A NE1 SER 196.A O no hydrogen 2.963 N/A ILE 209.A N VAL 142.A O no hydrogen 2.954 N/A VAL 210.A N TRP 191.A O no hydrogen 2.883 N/A LEU 211.A N GLY 144.A O no hydrogen 2.899 N/A LYS 212.A N ASP 189.A O no hydrogen 2.984 N/A LYS 212.A NZ ASP 189.A OD2 no hydrogen 3.020 N/A ILE 215.A N PHE 146.A O no hydrogen 2.864 N/A SER 216.A OG.B SER 151.A O.A no hydrogen 3.484 N/A SER 216.A OG.B SER 151.A OG.A no hydrogen 3.065 N/A VAL 217.A N LYS 148.A O no hydrogen 2.870 N/A SER 218.A N GLN 221.A OE1 no hydrogen 3.023 N/A SER 218.A OG GLU 220.A OE1 no hydrogen 3.475 N/A SER 219.A OG.B GLU 220.A OE1 no hydrogen 3.494 N/A GLU 220.A N GLU 220.A OE1 no hydrogen 2.884 N/A GLN 221.A N SER 218.A OG no hydrogen 3.190 N/A GLN 221.A NE2 LYS 153.A O no hydrogen 3.009 N/A GLN 221.A NE2 GLN 157.A OE1 no hydrogen 2.990 N/A VAL 222.A N SER 218.A O no hydrogen 3.193 N/A LEU 223.A N SER 219.A O no hydrogen 2.924 N/A LYS 224.A N GLU 220.A O no hydrogen 3.203 N/A LYS 224.A N GLN 221.A O no hydrogen 3.238 N/A LYS 224.A NZ VAL 160.A O no hydrogen 2.956 N/A LYS 224.A NZ ASP 164.A OD1 no hydrogen 2.590 N/A ARG 226.A N VAL 222.A O no hydrogen 3.308 N/A ARG 226.A NE GLY 98.A O no hydrogen 2.802 N/A ARG 226.A NH1 ASP 101.A OD1 no hydrogen 3.480 N/A ARG 226.A NH2 ASP 101.A OD1 no hydrogen 2.766 N/A LYS 227.A N LYS 224.A O no hydrogen 3.095 N/A LEU 228.A N PHE 225.A O no hydrogen 3.208 N/A ASN 229.A N LYS 167.A O no hydrogen 2.816 N/A ASN 229.A ND2 GLU 237.A OE2 no hydrogen 2.891 N/A PHE 230.A N GLU 238.A O no hydrogen 2.892 N/A ASN 231.A ND2 GLY 232.A O no hydrogen 2.956 N/A GLY 232.A N GLU 235.A OE1 no hydrogen 2.869 N/A GLU 235.A N GLY 232.A O no hydrogen 3.120 N/A GLU 238.A N ASN 231.A OD1 no hydrogen 2.866 N/A MET 240.A N LEU 228.A O no hydrogen 2.844 N/A ASN 243.A N TRP 97.A O no hydrogen 3.317 N/A ASN 243.A ND2 HIS 64.A O no hydrogen 2.863 N/A TRP 244.A NE1 ASP 242.A OD1 no hydrogen 3.016 N/A ARG 245.A N GLU 106.A OE2 no hydrogen 2.781 N/A ARG 245.A NH1 GLN 28.A OE1 no hydrogen 2.811 N/A ARG 245.A NH1 SER 29.A O no hydrogen 2.847 N/A ARG 245.A NH2 ALA 23.A O no hydrogen 3.276 N/A ARG 245.A NH2 GLN 28.A OE1 no hydrogen 3.358 N/A GLN 248.A N PRO 30.A O no hydrogen 2.815 N/A GLN 248.A NE2 PRO 246.A O no hydrogen 2.758 N/A LYS 251.A NZ GLY 25.A O no hydrogen 2.806 N/A ARG 253.A NE LEU 250.A O no hydrogen 2.848 N/A ARG 253.A NH1 GLN 28.A O no hydrogen 3.017 N/A ARG 253.A NH1 PRO 194.A O no hydrogen 2.908 N/A ARG 253.A NH2 GLN 28.A O no hydrogen 2.839 N/A ARG 253.A NH2 PRO 249.A O no hydrogen 2.860 N/A LYS 256.A N THR 192.A O no hydrogen 2.967 N/A LYS 256.A NZ ASP 41.A OD2 no hydrogen 2.545 N/A ALA 257.A N LYS 39.A O no hydrogen 2.813 N/A SER 258.A N TYR 190.A O no hydrogen 2.893 N/A SER 258.A OG TYR 190.A O no hydrogen 3.339 N/A