Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vva_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N GLN 8.A OE1 no hydrogen 2.774 N/A GLN 8.A N GLY 5.A O no hydrogen 2.937 N/A LEU 9.A N GLY 5.A O no hydrogen 2.901 N/A ARG 11.A NE SER 13.A O no hydrogen 2.888 N/A ARG 11.A NH2 SER 13.A O no hydrogen 2.747 N/A LEU 15.A N SER 13.A OG no hydrogen 2.800 N/A GLU 16.A N GLU 16.A OE1 no hydrogen 2.496 N/A THR 17.A N PHE 14.A O no hydrogen 3.040 N/A THR 17.A OG1 PHE 14.A O no hydrogen 3.067 N/A VAL 20.A N THR 17.A O no hydrogen 2.820 N/A ARG 24.A NE ASP 27.A OD2 no hydrogen 3.463 N/A ARG 24.A NH2 ASP 27.A OD1 no hydrogen 3.163 N/A ARG 24.A NH2 ASP 27.A OD2 no hydrogen 3.392 N/A ASP 27.A N ARG 24.A O no hydrogen 3.162 N/A GLU 28.A N VAL 25.A O no hydrogen 2.905 N/A SER 30.A OG GLU 131.A OE1 no hydrogen 2.655 N/A THR 35.A OG1 THR 35.A O no hydrogen 2.538 N/A TRP 36.A NE1 ASP 236.A OD1 no hydrogen 2.770 N/A ASP 40.A N SER 37.A O no hydrogen 2.930 N/A ILE 41.A N SER 37.A O no hydrogen 2.921 N/A GLU 42.A N LEU 38.A O no hydrogen 2.928 N/A ASN 43.A N ASP 40.A O no hydrogen 3.443 N/A VAL 44.A N ILE 41.A O no hydrogen 2.727 N/A HIS 48.A ND1 GLU 185.A OE2 no hydrogen 2.814 N/A LYS 49.A N GLU 185.A OE1 no hydrogen 2.749 N/A LYS 49.A NZ ASP 249.A OD1 no hydrogen 2.601 N/A LYS 49.A NZ ASP 249.A OD2 no hydrogen 3.070 N/A ASN 52.A N ASP 56.A OD2 no hydrogen 2.943 N/A THR 57.A N GLY 53.A O no hydrogen 3.219 N/A THR 57.A OG1 GLY 53.A O no hydrogen 2.722 N/A LEU 58.A N LEU 54.A O no hydrogen 2.711 N/A ALA 59.A N VAL 55.A O no hydrogen 2.919 N/A TYR 60.A N ASP 56.A O no hydrogen 2.918 N/A ARG 61.A N THR 57.A O no hydrogen 2.826 N/A SER 62.A N LEU 58.A O no hydrogen 3.152 N/A SER 62.A OG LEU 58.A O no hydrogen 3.402 N/A SER 62.A OG ALA 59.A O no hydrogen 2.997 N/A VAL 63.A N ALA 59.A O no hydrogen 3.300 N/A ARG 64.A N TYR 60.A O no hydrogen 3.186 N/A ARG 64.A NH2 GLU 186.A OE2 no hydrogen 2.750 N/A THR 65.A N ARG 61.A O no hydrogen 2.628 N/A THR 65.A OG1 ARG 61.A O no hydrogen 2.803 N/A CYS 66.A N SER 62.A O no hydrogen 2.848 N/A CYS 66.A SG SER 62.A O no hydrogen 2.939 N/A ARG 67.A N VAL 63.A O no hydrogen 2.926 N/A ARG 67.A NE ASP 71.A OD2 no hydrogen 2.619 N/A ARG 67.A NH1 GLU 186.A O no hydrogen 3.348 N/A ARG 67.A NH1 GLU 186.A OE1 no hydrogen 2.958 N/A ARG 67.A NH1 THR 190.A OG1 no hydrogen 3.074 N/A ARG 67.A NH2 THR 190.A OG1 no hydrogen 2.783 N/A TRP 68.A N ARG 64.A O no hydrogen 3.199 N/A LEU 69.A N THR 65.A O no hydrogen 3.043 N/A PHE 70.A N CYS 66.A O no hydrogen 3.006 N/A ASP 71.A N ARG 67.A O no hydrogen 2.922 N/A THR 72.A N TRP 68.A O no hydrogen 3.247 N/A THR 72.A N LEU 69.A O no hydrogen 2.914 N/A THR 72.A OG1 TRP 68.A O no hydrogen 2.255 N/A THR 72.A OG1 LEU 69.A O no hydrogen 2.943 N/A PHE 73.A N LEU 69.A O no hydrogen 2.802 N/A SER 74.A N PHE 70.A O no hydrogen 3.102 N/A SER 74.A OG PHE 70.A O no hydrogen 2.615 N/A LEU 75.A N THR 72.A O no hydrogen 3.310 N/A LYS 85.A N THR 82.A OG1 no hydrogen 3.120 N/A LYS 85.A NZ LEU 75.A O no hydrogen 3.428 N/A LYS 85.A NZ TYR 76.A O no hydrogen 2.717 N/A VAL 86.A N THR 82.A O no hydrogen 3.000 N/A ILE 87.A N GLU 83.A O no hydrogen 3.110 N/A SER 88.A N SER 84.A O no hydrogen 3.016 N/A ARG 89.A N LYS 85.A O no hydrogen 3.281 N/A ARG 89.A NH1 ASP 71.A OD1 no hydrogen 2.466 N/A ARG 89.A NH2 ASP 71.A OD1 no hydrogen 2.912 N/A CYS 90.A N VAL 86.A O no hydrogen 2.864 N/A CYS 90.A SG VAL 86.A O no hydrogen 3.154 N/A CYS 90.A SG TYR 191.A OH no hydrogen 3.879 N/A LEU 91.A N ILE 87.A O no hydrogen 2.769 N/A PHE 92.A N SER 88.A O no hydrogen 3.182 N/A LEU 93.A N ARG 89.A O no hydrogen 3.103 N/A GLU 94.A N CYS 90.A O no hydrogen 3.005 N/A THR 95.A N PHE 92.A O no hydrogen 3.299 N/A THR 95.A OG1 PHE 92.A O no hydrogen 2.765 N/A VAL 96.A N LEU 93.A O no hydrogen 2.882 N/A ALA 97.A N LEU 93.A O no hydrogen 3.207 N/A ALA 97.A N GLU 94.A O no hydrogen 3.341 N/A MET 102.A N VAL 99.A O no hydrogen 2.987 N/A VAL 103.A N VAL 99.A O no hydrogen 3.092 N/A GLY 104.A N PRO 100.A O no hydrogen 3.051 N/A GLY 105.A N GLY 101.A O no hydrogen 3.188 N/A MET 106.A N MET 102.A O no hydrogen 3.199 N/A LEU 107.A N VAL 103.A O no hydrogen 2.936 N/A ARG 108.A N GLY 104.A O no hydrogen 2.761 N/A ARG 108.A NE ASP 119.A OD2 no hydrogen 2.720 N/A ARG 108.A NH1 GLN 256.A O no hydrogen 2.995 N/A ARG 108.A NH2 ASP 119.A OD2 no hydrogen 2.800 N/A ARG 108.A NH2 GLN 256.A O no hydrogen 3.246 N/A HIS 109.A N GLY 105.A O no hydrogen 2.804 N/A LEU 110.A N MET 106.A O no hydrogen 3.079 N/A SER 111.A N LEU 107.A O no hydrogen 2.881 N/A SER 112.A N ARG 108.A O no hydrogen 2.925 N/A SER 112.A OG THR 117.A O no hydrogen 2.829 N/A LEU 113.A N HIS 109.A O no hydrogen 2.995 N/A ARG 114.A N LEU 110.A O no hydrogen 3.035 N/A ARG 114.A N SER 111.A O no hydrogen 3.158 N/A TYR 115.A N SER 111.A O no hydrogen 3.189 N/A THR 117.A N SER 112.A O no hydrogen 3.244 N/A LYS 120.A NZ ASN 257.A O no hydrogen 3.151 N/A TRP 122.A NE1 SER 258.A O no hydrogen 2.945 N/A ILE 123.A N ASP 119.A OD1 no hydrogen 2.607 N/A THR 125.A N TRP 122.A O no hydrogen 3.158 N/A THR 125.A OG1 GLY 121.A O no hydrogen 3.476 N/A LEU 126.A N ILE 123.A O no hydrogen 3.307 N/A LEU 127.A N ILE 123.A O no hydrogen 3.228 N/A GLU 129.A N THR 125.A O no hydrogen 3.278 N/A ALA 130.A N LEU 126.A O no hydrogen 2.894 N/A GLU 131.A N LEU 127.A O no hydrogen 3.002 N/A ASN 132.A N VAL 128.A O no hydrogen 2.813 N/A ASN 132.A ND2 TYR 217.A OH no hydrogen 2.764 N/A ASN 132.A ND2 ASP 236.A OD2 no hydrogen 2.752 N/A GLU 133.A N GLU 129.A O no hydrogen 2.663 N/A ARG 134.A N ALA 130.A O no hydrogen 2.795 N/A ARG 134.A NH1 GLU 28.A O no hydrogen 2.862 N/A ARG 134.A NH1 GLU 28.A OE2 no hydrogen 3.200 N/A ARG 134.A NH2 GLU 28.A OE2 no hydrogen 2.687 N/A MET 135.A N GLU 131.A O no hydrogen 2.813 N/A HIS 136.A N GLU 133.A O no hydrogen 3.076 N/A HIS 136.A ND1 GLU 94.A OE1 no hydrogen 3.140 N/A HIS 136.A NE2 ASP 236.A OD2 no hydrogen 3.221 N/A LEU 137.A N GLU 133.A O no hydrogen 3.134 N/A MET 138.A N ARG 134.A O no hydrogen 2.900 N/A THR 139.A N MET 135.A O no hydrogen 3.190 N/A THR 139.A OG1 MET 135.A O no hydrogen 2.606 N/A PHE 140.A N HIS 136.A O no hydrogen 3.396 N/A ILE 141.A N LEU 137.A O no hydrogen 2.971 N/A GLU 142.A N THR 139.A O no hydrogen 3.030 N/A LEU 143.A N PHE 140.A O no hydrogen 2.856 N/A ARG 144.A N PHE 140.A O no hydrogen 2.760 N/A ARG 144.A NH2 SER 84.A OG no hydrogen 3.332 N/A GLN 145.A NE2 ILE 141.A O no hydrogen 2.640 N/A ARG 151.A N GLY 147.A O no hydrogen 3.276 N/A VAL 152.A N LEU 148.A O no hydrogen 3.067 N/A SER 153.A N PRO 149.A O no hydrogen 3.216 N/A SER 153.A OG LEU 150.A O no hydrogen 3.478 N/A ILE 154.A N LEU 150.A O no hydrogen 3.300 N/A ILE 155.A N ARG 151.A O no hydrogen 3.248 N/A ILE 156.A N VAL 152.A O no hydrogen 3.155 N/A THR 157.A N SER 153.A O no hydrogen 2.958 N/A THR 157.A OG1 SER 153.A O no hydrogen 2.763 N/A GLN 158.A N ILE 154.A O no hydrogen 3.155 N/A ALA 159.A N ILE 155.A O no hydrogen 3.164 N/A ILE 160.A N ILE 156.A O no hydrogen 3.088 N/A MET 161.A N THR 157.A O no hydrogen 2.791 N/A TYR 162.A N GLN 158.A O no hydrogen 2.802 N/A LEU 163.A N ALA 159.A O no hydrogen 3.299 N/A PHE 164.A N ILE 160.A O no hydrogen 2.902 N/A LEU 165.A N MET 161.A O no hydrogen 2.862 N/A LEU 166.A N TYR 162.A O no hydrogen 3.056 N/A VAL 167.A N LEU 163.A O no hydrogen 3.228 N/A ALA 168.A N PHE 164.A O no hydrogen 2.698 N/A TYR 169.A N LEU 165.A O no hydrogen 2.913 N/A TYR 169.A OH HIS 177.A NE2 no hydrogen 3.030 N/A VAL 170.A N LEU 166.A O no hydrogen 3.175 N/A SER 172.A N ALA 168.A O no hydrogen 2.772 N/A ARG 174.A NH1 GLU 252.A OE2 no hydrogen 2.526 N/A PHE 175.A N SER 172.A OG no hydrogen 2.864 N/A VAL 176.A N SER 172.A O no hydrogen 3.253 N/A HIS 177.A N PRO 173.A O no hydrogen 3.065 N/A HIS 177.A NE2 TYR 169.A OH no hydrogen 3.030 N/A ARG 178.A N ARG 174.A O no hydrogen 2.631 N/A ARG 178.A NE ASP 56.A OD1 no hydrogen 2.748 N/A ARG 178.A NH1 HIS 245.A O no hydrogen 3.455 N/A ARG 178.A NH2 ASP 249.A OD1 no hydrogen 3.174 N/A PHE 179.A N PHE 175.A O no hydrogen 2.729 N/A VAL 180.A N VAL 176.A O no hydrogen 3.069 N/A GLY 181.A N HIS 177.A O no hydrogen 3.038 N/A TYR 182.A N ARG 178.A O no hydrogen 2.996 N/A TYR 182.A OH LYS 49.A O no hydrogen 2.795 N/A LEU 183.A N PHE 179.A O no hydrogen 2.770 N/A GLU 184.A N VAL 180.A O no hydrogen 2.874 N/A GLU 185.A N GLY 181.A O no hydrogen 3.194 N/A GLU 186.A N TYR 182.A O no hydrogen 3.083 N/A ALA 187.A N LEU 183.A O no hydrogen 3.040 N/A VAL 188.A N GLU 184.A O no hydrogen 2.785 N/A ILE 189.A N GLU 185.A O no hydrogen 3.331 N/A THR 190.A N GLU 186.A O no hydrogen 3.048 N/A THR 190.A OG1 GLU 186.A O no hydrogen 3.074 N/A TYR 191.A N ALA 187.A O no hydrogen 3.395 N/A TYR 191.A OH GLU 94.A OE1 no hydrogen 3.271 N/A THR 192.A N VAL 188.A O no hydrogen 3.190 N/A GLY 193.A N ILE 189.A O no hydrogen 3.079 N/A VAL 194.A N THR 190.A O no hydrogen 3.199 N/A MET 195.A N TYR 191.A O no hydrogen 3.111 N/A ARG 196.A N THR 192.A O no hydrogen 2.784 N/A ALA 197.A N GLY 193.A O no hydrogen 2.833 N/A ILE 198.A N VAL 194.A O no hydrogen 3.119 N/A ASP 199.A N MET 195.A O no hydrogen 2.876 N/A GLU 200.A N ARG 196.A O no hydrogen 2.875 N/A GLY 201.A N ILE 198.A O no hydrogen 2.984 N/A ARG 202.A N ALA 197.A O no hydrogen 2.876 N/A LEU 203.A N ALA 197.A O no hydrogen 3.327 N/A THR 206.A N GLU 83.A OE2 no hydrogen 3.177 N/A LYS 207.A N GLU 83.A OE2 no hydrogen 3.329 N/A LYS 207.A NZ LEU 143.A O no hydrogen 2.626 N/A ASN 208.A ND2 PRO 205.A O no hydrogen 3.101 N/A VAL 210.A N ASN 208.A O no hydrogen 2.719 N/A ALA 214.A N PRO 211.A O no hydrogen 3.203 N/A ARG 215.A N PRO 211.A O no hydrogen 3.162 N/A VAL 216.A N GLU 212.A O no hydrogen 3.154 N/A TYR 217.A N VAL 213.A O no hydrogen 3.346 N/A TRP 218.A N ALA 214.A O no hydrogen 3.025 N/A TRP 218.A NE1 ASP 236.A OD2 no hydrogen 3.165 N/A ASN 219.A N VAL 216.A O no hydrogen 3.019 N/A LEU 220.A N ARG 215.A O no hydrogen 2.818 N/A THR 225.A N ASP 228.A OD1 no hydrogen 2.849 N/A THR 225.A OG1 ASP 228.A OD1 no hydrogen 3.068 N/A ARG 227.A NE ASP 199.A OD1 no hydrogen 2.892 N/A ARG 227.A NH1 GLU 42.A OE1 no hydrogen 2.543 N/A ASP 228.A N THR 225.A OG1 no hydrogen 3.283 N/A LEU 229.A N THR 225.A O no hydrogen 3.067 N/A ILE 230.A N PHE 226.A O no hydrogen 2.730 N/A ASN 231.A N ARG 227.A O no hydrogen 2.947 N/A ASN 231.A ND2 ILE 41.A O no hydrogen 3.567 N/A VAL 232.A N ASP 228.A O no hydrogen 3.460 N/A ILE 233.A N LEU 229.A O no hydrogen 3.285 N/A ARG 234.A N ILE 230.A O no hydrogen 2.843 N/A ARG 234.A NH1 GLU 42.A O no hydrogen 3.228 N/A ALA 235.A N ASN 231.A O no hydrogen 2.703 N/A ASP 236.A N VAL 232.A O no hydrogen 2.934 N/A GLU 237.A N ARG 234.A O no hydrogen 3.221 N/A ALA 238.A N ARG 234.A O no hydrogen 3.264 N/A GLU 239.A N ALA 235.A O no hydrogen 3.294 N/A HIS 240.A N ASP 236.A O no hydrogen 3.292 N/A HIS 240.A ND1 GLU 184.A OE2 no hydrogen 2.999 N/A ARG 241.A N GLU 237.A O no hydrogen 2.927 N/A ARG 241.A NH1 ALA 45.A O no hydrogen 3.018 N/A ARG 241.A NH2 ALA 45.A O no hydrogen 3.280 N/A VAL 242.A N ALA 238.A O no hydrogen 3.209 N/A VAL 243.A N GLU 239.A O no hydrogen 2.822 N/A ASN 244.A N HIS 240.A O no hydrogen 2.798 N/A ASN 244.A ND2 HIS 177.A ND1 no hydrogen 2.933 N/A HIS 245.A N ARG 241.A O no hydrogen 3.127 N/A THR 246.A N VAL 242.A O no hydrogen 2.713 N/A THR 246.A OG1 VAL 242.A O no hydrogen 2.712 N/A PHE 247.A N VAL 243.A O no hydrogen 2.860 N/A ALA 248.A N ASN 244.A O no hydrogen 3.090 N/A ASP 249.A N HIS 245.A O no hydrogen 2.984 N/A MET 250.A N THR 246.A O no hydrogen 2.816 N/A HIS 251.A N PHE 247.A O no hydrogen 3.168 N/A HIS 251.A ND1 PHE 247.A O no hydrogen 3.204 N/A GLU 252.A N ALA 248.A O no hydrogen 3.005 N/A LYS 253.A N ASP 249.A O no hydrogen 3.042 N/A ARG 254.A N HIS 251.A O no hydrogen 2.645 N/A LEU 255.A N MET 250.A O no hydrogen 2.719 N/A GLN 256.A NE2 HIS 251.A O no hydrogen 3.697 N/A SER 258.A N LEU 255.A O no hydrogen 3.114 N/A ASN 260.A N LYS 120.A O no hydrogen 2.938 N/A ASN 260.A ND2 GLY 121.A O no hydrogen 2.820 N/A ASN 260.A ND2 THR 125.A OG1 no hydrogen 2.730 N/A PHE 262.A N ASN 260.A OD1 no hydrogen 3.470 N/A VAL 263.A N ASN 260.A O no hydrogen 3.046 N/A LYS 266.A NZ ASP 32.A OD1 no hydrogen 3.276 N/A LYS 266.A NZ ASP 32.A OD2 no hydrogen 3.322 N/A