Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vgp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ASP 5.A OD1 no hydrogen 3.217 N/A ASP 5.A N THR 2.A O no hydrogen 3.043 N/A PHE 6.A N ILE 3.A O no hydrogen 3.199 N/A ASP 7.A N ARG 21.A O no hydrogen 2.813 N/A GLY 9.A N LEU 19.A O no hydrogen 2.731 N/A ARG 10.A N LEU 19.A O no hydrogen 3.470 N/A LEU 12.A N VAL 17.A O no hydrogen 2.707 N/A GLY 13.A N VAL 17.A O no hydrogen 3.450 N/A ASN 16.A N VAL 33.A O no hydrogen 3.416 N/A VAL 17.A N GLY 13.A O no hydrogen 2.962 N/A TYR 18.A N LEU 31.A O no hydrogen 2.880 N/A LEU 19.A N ARG 10.A O no hydrogen 2.751 N/A ALA 20.A N MET 29.A O no hydrogen 2.909 N/A ARG 21.A N ASP 7.A O no hydrogen 2.868 N/A GLU 22.A N PHE 27.A O no hydrogen 2.879 N/A LYS 23.A N ASP 5.A O no hydrogen 2.922 N/A LYS 23.A NZ ASP 4.A O no hydrogen 3.003 N/A GLN 24.A N GLU 22.A OE2 no hydrogen 3.128 N/A PHE 27.A N GLU 22.A O no hydrogen 3.307 N/A MET 29.A N ALA 20.A O no hydrogen 2.873 N/A ALA 30.A N LEU 80.A O no hydrogen 2.831 N/A LEU 31.A N TYR 18.A O no hydrogen 2.822 N/A LYS 32.A N LEU 78.A O no hydrogen 2.967 N/A VAL 33.A N ASN 16.A O no hydrogen 2.882 N/A LEU 34.A N ILE 76.A O no hydrogen 2.845 N/A LYS 36.A N LYS 74.A O no hydrogen 3.043 N/A LYS 36.A NZ HIS 71.A ND1 no hydrogen 2.819 N/A LYS 36.A NZ ASP 72.A O no hydrogen 2.872 N/A LEU 39.A N PHE 35.A O no hydrogen 3.086 N/A GLU 40.A N LYS 36.A O no hydrogen 3.078 N/A LYS 41.A N SER 37.A O no hydrogen 2.958 N/A GLU 42.A N GLN 38.A O no hydrogen 2.971 N/A GLY 43.A N GLU 40.A O no hydrogen 3.108 N/A VAL 44.A N LEU 39.A O no hydrogen 3.113 N/A GLU 45.A N GLU 45.A OE1 no hydrogen 2.980 N/A LEU 48.A N VAL 44.A O no hydrogen 2.937 N/A ARG 49.A N GLU 45.A O no hydrogen 2.906 N/A ARG 50.A N HIS 46.A O no hydrogen 3.001 N/A GLU 51.A N GLN 47.A O no hydrogen 3.186 N/A ILE 52.A N LEU 48.A O no hydrogen 3.041 N/A GLU 53.A N ARG 49.A O no hydrogen 2.907 N/A ILE 54.A N ARG 50.A O no hydrogen 2.904 N/A GLN 55.A N GLU 51.A O no hydrogen 2.996 N/A GLN 55.A NE2 LEU 64.A O no hydrogen 3.068 N/A GLN 55.A NE2 ALA 143.A O no hydrogen 3.301 N/A SER 56.A N ILE 52.A O no hydrogen 2.929 N/A SER 56.A OG ILE 52.A O no hydrogen 2.806 N/A SER 56.A OG GLU 53.A O no hydrogen 3.464 N/A HIS 57.A N ILE 54.A O no hydrogen 3.245 N/A LEU 58.A N GLN 55.A O no hydrogen 3.260 N/A ARG 59.A N TYR 116.A OH no hydrogen 2.929 N/A ASN 62.A ND2 HIS 60.A NE2 no hydrogen 3.508 N/A ILE 63.A N HIS 60.A O no hydrogen 3.113 N/A LEU 64.A N ILE 142.A O no hydrogen 2.879 N/A ARG 65.A N GLU 81.A OE2 no hydrogen 2.991 N/A TYR 67.A N MET 79.A O no hydrogen 2.732 N/A TYR 69.A N ASN 68.A OD1 no hydrogen 2.801 N/A PHE 70.A N TYR 77.A O no hydrogen 3.095 N/A ASP 72.A N ARG 75.A O no hydrogen 2.943 N/A LYS 74.A N ASP 72.A OD1 no hydrogen 3.219 N/A ARG 75.A N ASP 72.A OD1 no hydrogen 2.958 N/A ILE 76.A N LEU 34.A O no hydrogen 2.807 N/A TYR 77.A N PHE 70.A O no hydrogen 2.857 N/A TYR 77.A OH ASP 72.A OD2 no hydrogen 2.587 N/A LEU 78.A N LYS 32.A O no hydrogen 2.770 N/A MET 79.A N ASN 68.A O no hydrogen 2.943 N/A LEU 80.A N ALA 30.A O no hydrogen 2.863 N/A GLU 81.A N ARG 65.A O no hydrogen 2.810 N/A ARG 85.A N MET 134.A O no hydrogen 3.053 N/A ARG 85.A NE TYR 136.A O no hydrogen 2.914 N/A ARG 85.A NH2 TYR 136.A O no hydrogen 3.153 N/A GLY 86.A N ALA 83.A O no hydrogen 3.056 N/A LEU 88.A N LEU 132.A O no hydrogen 3.070 N/A GLU 91.A N GLU 87.A O no hydrogen 3.414 N/A LEU 92.A N LEU 88.A O no hydrogen 2.924 N/A GLN 93.A N TYR 89.A O no hydrogen 2.956 N/A LYS 94.A N LYS 90.A O no hydrogen 2.974 N/A HIS 95.A N GLU 91.A O no hydrogen 3.115 N/A GLY 96.A N LEU 92.A O no hydrogen 2.772 N/A PHE 98.A N PHE 191.A O no hydrogen 2.843 N/A ARG 102.A N ASP 99.A OD1 no hydrogen 2.809 N/A ARG 102.A NH1 GLU 91.A OE1 no hydrogen 3.069 N/A ARG 102.A NH2 GLU 91.A OE1 no hydrogen 3.167 N/A SER 103.A N ASP 99.A O no hydrogen 3.049 N/A SER 103.A OG ASP 99.A O no hydrogen 2.833 N/A ALA 104.A N GLU 100.A O no hydrogen 2.845 N/A THR 105.A N GLN 101.A O no hydrogen 3.036 N/A THR 105.A OG1 GLN 101.A O no hydrogen 2.765 N/A PHE 106.A N ARG 102.A O no hydrogen 3.099 N/A MET 107.A N SER 103.A O no hydrogen 2.927 N/A GLU 108.A N ALA 104.A O no hydrogen 2.996 N/A GLU 109.A N THR 105.A O no hydrogen 3.079 N/A LEU 110.A N PHE 106.A O no hydrogen 2.802 N/A ALA 111.A N MET 107.A O no hydrogen 2.906 N/A ASP 112.A N GLU 108.A O no hydrogen 3.031 N/A ALA 113.A N GLU 109.A O no hydrogen 2.989 N/A LEU 114.A N LEU 110.A O no hydrogen 2.836 N/A HIS 115.A N ALA 111.A O no hydrogen 2.866 N/A TYR 116.A N ASP 112.A O no hydrogen 3.089 N/A CYS 117.A N ALA 113.A O no hydrogen 3.059 N/A CYS 117.A SG ALA 113.A O no hydrogen 3.526 N/A HIS 118.A N LEU 114.A O no hydrogen 2.789 N/A HIS 118.A NE2 ASP 180.A OD2 no hydrogen 2.820 N/A GLU 119.A N HIS 115.A O no hydrogen 2.923 N/A ARG 120.A N CYS 117.A O no hydrogen 2.909 N/A ARG 120.A NH1 TYR 116.A O no hydrogen 2.951 N/A LYS 121.A N HIS 118.A O no hydrogen 2.970 N/A LYS 121.A NZ PRO 152.A O no hydrogen 2.712 N/A VAL 122.A N CYS 117.A O no hydrogen 3.013 N/A ILE 123.A N VAL 149.A O no hydrogen 2.970 N/A HIS 124.A N ASP 180.A OD2 no hydrogen 2.805 N/A HIS 124.A NE2 ASP 144.A O no hydrogen 2.665 N/A ARG 125.A N ASP 180.A OD1 no hydrogen 2.820 N/A ARG 125.A NE TRP 147.A O no hydrogen 2.836 N/A ARG 125.A NH1 HIS 175.A NE2 no hydrogen 3.101 N/A ARG 125.A NH2 TRP 147.A O no hydrogen 3.102 N/A ASP 126.A N HIS 124.A ND1 no hydrogen 3.058 N/A LYS 128.A NZ THR 161.A OG1 no hydrogen 2.816 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.737 N/A ASN 131.A N LYS 128.A O no hydrogen 3.037 N/A ASN 131.A ND2 ASP 126.A O no hydrogen 2.758 N/A ASN 131.A ND2 ASP 126.A OD2 no hydrogen 2.991 N/A LEU 132.A N PRO 129.A O no hydrogen 3.069 N/A LEU 133.A N LYS 141.A O no hydrogen 2.845 N/A MET 134.A N GLY 86.A O no hydrogen 2.806 N/A GLY 135.A N GLU 139.A O no hydrogen 2.836 N/A LYS 137.A N GLU 139.A OE1 no hydrogen 2.735 N/A GLY 138.A N GLY 135.A O no hydrogen 2.877 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.727 N/A LEU 140.A N GLU 109.A OE1 no hydrogen 2.884 N/A LYS 141.A N LEU 133.A O no hydrogen 2.886 N/A LYS 141.A NZ PRO 61.A O no hydrogen 2.696 N/A LYS 141.A NZ GLU 81.A OE1 no hydrogen 2.822 N/A ILE 142.A N ASN 62.A O no hydrogen 2.896 N/A ALA 143.A N ASN 131.A O no hydrogen 2.945 N/A GLY 146.A N ASP 144.A OD2 no hydrogen 2.889 N/A SER 148.A N PHE 145.A O no hydrogen 3.112 N/A SER 148.A OG HIS 124.A O no hydrogen 3.054 N/A VAL 149.A N ILE 123.A O no hydrogen 3.108 N/A ALA 151.A N LYS 121.A O no hydrogen 2.861 N/A ARG 155.A NH2 THR 174.A O no hydrogen 3.484 N/A ARG 156.A N HIS 175.A O no hydrogen 2.811 N/A ARG 157.A NE GLY 172.A O no hydrogen 3.431 N/A ARG 157.A NH2 GLY 172.A O no hydrogen 3.012 N/A THR 161.A OG1 ASP 126.A OD1 no hydrogen 2.755 N/A TYR 164.A N THR 161.A O no hydrogen 2.795 N/A TYR 164.A OH GLU 190.A OE1 no hydrogen 2.776 N/A LEU 165.A N LEU 162.A O no hydrogen 3.282 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.795 N/A MET 169.A N PRO 166.A O no hydrogen 3.153 N/A ILE 170.A N PRO 166.A O no hydrogen 3.406 N/A GLU 171.A N PRO 167.A O no hydrogen 2.934 N/A GLY 172.A N MET 169.A O no hydrogen 3.028 N/A LYS 173.A N GLU 168.A O no hydrogen 2.943 N/A LYS 173.A NZ TYR 235.A OH no hydrogen 3.241 N/A HIS 175.A N ARG 156.A O no hydrogen 2.756 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.774 N/A LYS 178.A N ASP 176.A OD1 no hydrogen 2.953 N/A LYS 178.A NZ ASP 176.A OD2 no hydrogen 3.117 N/A LYS 178.A NZ GLU 177.A OE2 no hydrogen 2.980 N/A VAL 179.A N ASP 176.A O no hydrogen 3.185 N/A ASP 180.A N GLU 177.A O no hydrogen 3.083 N/A LEU 181.A N.A LYS 178.A O no hydrogen 3.114 N/A LEU 181.A N.B LYS 178.A O no hydrogen 3.132 N/A TRP 182.A N LYS 178.A O no hydrogen 3.409 N/A CYS 183.A N VAL 179.A O no hydrogen 3.165 N/A CYS 183.A SG TYR 164.A O no hydrogen 3.285 N/A CYS 183.A SG VAL 179.A O no hydrogen 3.452 N/A ALA 184.A N ASP 180.A O no hydrogen 2.978 N/A GLY 185.A N LEU 181.A O.A no hydrogen 3.287 N/A GLY 185.A N LEU 181.A O.B no hydrogen 3.200 N/A GLY 185.A N TRP 182.A O no hydrogen 2.924 N/A VAL 186.A N TRP 182.A O no hydrogen 3.103 N/A LEU 187.A N CYS 183.A O no hydrogen 2.851 N/A CYS 188.A N ALA 184.A O no hydrogen 2.933 N/A TYR 189.A N GLY 185.A O no hydrogen 3.096 N/A TYR 189.A OH LYS 216.A O no hydrogen 3.365 N/A GLU 190.A N VAL 186.A O no hydrogen 2.911 N/A PHE 191.A N LEU 187.A O no hydrogen 2.869 N/A LEU 192.A N CYS 188.A O no hydrogen 3.167 N/A VAL 193.A N TYR 189.A O no hydrogen 2.855 N/A GLY 194.A N GLU 190.A O no hydrogen 2.776 N/A ASP 199.A N PRO 196.A O no hydrogen 3.459 N/A SER 200.A OG PHE 198.A O no hydrogen 2.883 N/A SER 202.A OG THR 204.A OG1 no hydrogen 3.379 N/A THR 204.A OG1 SER 202.A OG no hydrogen 3.379 N/A GLU 205.A N SER 202.A OG no hydrogen 3.172 N/A THR 206.A N SER 202.A O no hydrogen 2.918 N/A THR 206.A OG1 SER 202.A O no hydrogen 3.057 N/A HIS 207.A N HIS 203.A O no hydrogen 2.933 N/A ARG 208.A N THR 204.A O no hydrogen 2.949 N/A ARG 209.A N GLU 205.A O no hydrogen 2.963 N/A ARG 209.A NE ASP 214.A OD2 no hydrogen 2.905 N/A ARG 209.A NH1 ASP 199.A O no hydrogen 3.116 N/A ARG 209.A NH2 ASP 214.A O no hydrogen 2.966 N/A ILE 210.A N THR 206.A O no hydrogen 2.930 N/A VAL 211.A N HIS 207.A O no hydrogen 3.056 N/A ASN 212.A N ARG 208.A O no hydrogen 3.210 N/A VAL 213.A N ILE 210.A O no hydrogen 2.915 N/A ASP 214.A N ARG 209.A O no hydrogen 2.835 N/A LEU 215.A N VAL 213.A O no hydrogen 2.742 N/A LYS 216.A NZ ASP 214.A OD1 no hydrogen 3.251 N/A LYS 216.A NZ ASP 214.A OD2 no hydrogen 3.338 N/A LEU 221.A N PRO 218.A O no hydrogen 3.409 N/A SER 222.A OG GLU 100.A OE2 no hydrogen 2.626 N/A SER 222.A OG SER 225.A OG no hydrogen 3.235 N/A SER 225.A N SER 222.A OG no hydrogen 3.077 N/A SER 225.A OG SER 222.A O no hydrogen 3.050 N/A SER 225.A OG SER 222.A OG no hydrogen 3.235 N/A LYS 226.A N SER 222.A O no hydrogen 3.152 N/A ASP 227.A N ASP 223.A O no hydrogen 2.970 N/A LEU 228.A N GLY 224.A O no hydrogen 3.131 N/A ILE 229.A N SER 225.A O no hydrogen 3.023 N/A SER 230.A N LYS 226.A O no hydrogen 2.842 N/A SER 230.A OG LYS 226.A O no hydrogen 2.804 N/A LYS 231.A N ASP 227.A O no hydrogen 3.079 N/A LYS 231.A NZ ASP 227.A OD2 no hydrogen 2.862 N/A LEU 232.A N LEU 228.A O no hydrogen 3.102 N/A LEU 232.A N ILE 229.A O no hydrogen 3.072 N/A LEU 233.A N ILE 229.A O no hydrogen 2.875 N/A TYR 235.A OH GLU 171.A OE1 no hydrogen 2.595 N/A GLN 239.A N HIS 236.A O no hydrogen 2.909 N/A ARG 240.A N PRO 237.A O no hydrogen 3.077 N/A ARG 240.A NE ARG 234.A O no hydrogen 2.821 N/A ARG 240.A NH1 GLU 168.A OE2 no hydrogen 2.839 N/A ARG 240.A NH1 LYS 178.A O no hydrogen 3.134 N/A ARG 240.A NH2 GLU 168.A OE1 no hydrogen 2.851 N/A ARG 240.A NH2 ARG 234.A O no hydrogen 3.084 N/A LEU 241.A N LYS 231.A O no hydrogen 2.956 N/A LYS 244.A NZ HIS 115.A NE2 no hydrogen 3.379 N/A VAL 246.A N PRO 242.A O no hydrogen 2.958 N/A MET 247.A N LEU 243.A O no hydrogen 3.121 N/A GLU 248.A N LYS 244.A O no hydrogen 3.010 N/A HIS 249.A N VAL 246.A O no hydrogen 3.148 N/A HIS 249.A NE2 ASP 227.A OD2 no hydrogen 2.772 N/A TRP 251.A N HIS 249.A ND1 no hydrogen 2.999 N/A TRP 251.A NE1 GLU 100.A OE2 no hydrogen 2.839 N/A LYS 253.A N HIS 249.A O no hydrogen 2.874 N/A ALA 254.A N PRO 250.A O no hydrogen 2.860 N/A ASN 255.A N TRP 251.A O no hydrogen 3.169 N/A ASN 255.A N VAL 252.A O no hydrogen 3.335 N/A ASN 255.A ND2 TRP 251.A O no hydrogen 2.934 N/A SER 256.A N VAL 252.A O no hydrogen 2.928 N/A SER 256.A OG GLU 108.A OE1 no hydrogen 2.664 N/A ARG 257.A N THR 105.A OG1 no hydrogen 2.798 N/A ARG 258.A N SER 256.A OG no hydrogen 3.259 N/A ARG 258.A NH1 GLU 108.A OE2 no hydrogen 3.552 N/A ARG 258.A NH1 ASP 112.A OD2 no hydrogen 3.219 N/A ARG 258.A NH2 ASP 112.A OD2 no hydrogen 2.622 N/A