Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8dq4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 4.A OD2 no hydrogen 2.534 N/A SER 1.A OG ASP 4.A OD2 no hydrogen 2.878 N/A ILE 2.A N GLU 211.A OE1 no hydrogen 2.717 N/A ASP 4.A N SER 1.A O no hydrogen 2.999 N/A ARG 6.A N PRO 81.A O no hydrogen 3.332 N/A ARG 6.A NE ASN 8.A O no hydrogen 2.971 N/A ARG 6.A NH1 GLU 13.A OE2 no hydrogen 3.206 N/A ARG 6.A NH1 GLU 84.A OE1 no hydrogen 2.910 N/A ARG 6.A NH1 GLU 84.A OE2 no hydrogen 2.797 N/A ARG 6.A NH2 ASN 8.A O no hydrogen 3.304 N/A ARG 6.A NH2 TYR 9.A O no hydrogen 2.584 N/A ARG 6.A NH2 GLU 84.A OE2 no hydrogen 2.650 N/A ASN 8.A ND2 LYS 10.A O no hydrogen 3.354 N/A TYR 14.A N GLU 84.A OE1 no hydrogen 3.274 N/A TYR 14.A OH GLU 211.A OE2 no hydrogen 2.315 N/A GLU 16.A N GLU 16.A OE1 no hydrogen 2.707 N/A VAL 17.A N TYR 14.A O no hydrogen 3.148 N/A LEU 18.A N PRO 15.A O no hydrogen 3.082 N/A GLN 19.A N GLU 16.A O no hydrogen 3.076 N/A PHE 20.A N VAL 17.A O no hydrogen 3.021 N/A THR 21.A N VAL 17.A O no hydrogen 3.060 N/A THR 21.A OG1 VAL 17.A O no hydrogen 3.522 N/A THR 21.A OG1 LEU 18.A O no hydrogen 3.301 N/A GLU 22.A N LEU 18.A O no hydrogen 2.913 N/A ALA 23.A N GLN 19.A O no hydrogen 3.295 N/A ILE 24.A N PHE 20.A O no hydrogen 3.145 N/A ASN 25.A N THR 21.A O no hydrogen 2.768 N/A LYS 26.A N GLU 22.A O no hydrogen 2.788 N/A LYS 26.A NZ GLU 22.A O no hydrogen 3.175 N/A ALA 27.A N ALA 23.A O no hydrogen 2.999 N/A TYR 28.A N ASN 25.A O no hydrogen 3.403 N/A TYR 28.A OH GLU 94.A OE2 no hydrogen 3.095 N/A TRP 29.A NE1 ASP 193.A OD2 no hydrogen 2.547 N/A VAL 30.A N GLU 33.A OE2 no hydrogen 3.232 N/A GLU 33.A N VAL 30.A O no hydrogen 3.159 N/A VAL 34.A N HIS 31.A O no hydrogen 2.992 N/A THR 37.A N ASP 35.A OD2 no hydrogen 3.146 N/A THR 37.A OG1 ASP 35.A OD1 no hydrogen 3.393 N/A THR 37.A OG1 ASP 35.A OD2 no hydrogen 3.014 N/A THR 40.A N PHE 36.A O no hydrogen 2.972 N/A THR 40.A OG1 PHE 36.A O no hydrogen 3.481 N/A THR 40.A OG1 THR 37.A O no hydrogen 2.568 N/A GLN 41.A N THR 37.A O no hydrogen 3.233 N/A ASP 42.A N ALA 38.A O no hydrogen 3.231 N/A PHE 43.A N ASP 39.A O no hydrogen 2.898 N/A HIS 44.A N THR 40.A O no hydrogen 2.947 N/A ALA 45.A N GLN 41.A O no hydrogen 3.020 N/A HIS 46.A N ASP 42.A O no hydrogen 2.927 N/A SER 48.A N GLU 51.A OE1 no hydrogen 2.942 N/A GLU 51.A N SER 48.A OG no hydrogen 3.237 N/A LYS 52.A N SER 48.A O no hydrogen 2.776 N/A THR 53.A N LEU 49.A O no hydrogen 3.021 N/A THR 53.A OG1 LEU 49.A O no hydrogen 2.640 N/A ALA 54.A N ALA 50.A O no hydrogen 3.110 N/A VAL 55.A N GLU 51.A O no hydrogen 2.995 N/A LYS 56.A N LYS 52.A O no hydrogen 2.805 N/A LYS 56.A NZ ASN 57.A OD1 no hydrogen 2.663 N/A ASN 57.A N THR 53.A O no hydrogen 2.903 N/A ASN 57.A ND2 TRP 241.A O no hydrogen 2.707 N/A ASN 57.A ND2 GLU 244.A OE2 no hydrogen 3.332 N/A SER 58.A N ALA 54.A O no hydrogen 3.183 N/A SER 58.A OG ALA 54.A O no hydrogen 2.790 N/A LEU 59.A N VAL 55.A O no hydrogen 3.174 N/A LEU 60.A N LYS 56.A O no hydrogen 2.919 N/A ALA 61.A N ASN 57.A O no hydrogen 2.867 N/A ILE 62.A N SER 58.A O no hydrogen 2.902 N/A ALA 63.A N LEU 59.A O no hydrogen 2.831 N/A GLN 64.A N LEU 60.A O no hydrogen 2.889 N/A ILE 65.A N ILE 62.A O no hydrogen 3.026 N/A GLU 66.A N ILE 62.A O no hydrogen 2.819 N/A VAL 67.A N ALA 63.A O no hydrogen 2.788 N/A ALA 68.A N GLU 66.A O no hydrogen 3.082 N/A ARG 70.A NH1 GLU 66.A OE2 no hydrogen 2.997 N/A TRP 73.A NE1 GLU 159.A OE1 no hydrogen 2.384 N/A ASN 75.A N PHE 72.A O no hydrogen 3.098 N/A ASN 75.A ND2 SER 71.A O no hydrogen 3.127 N/A ILE 76.A N TRP 73.A O no hydrogen 3.195 N/A GLU 78.A N ASN 75.A O no hydrogen 3.098 N/A HIS 79.A N ILE 76.A O no hydrogen 3.182 N/A PHE 80.A N ILE 76.A O no hydrogen 2.865 N/A LYS 82.A N PHE 80.A O no hydrogen 2.638 N/A LYS 82.A NZ SER 1.A O no hydrogen 2.768 N/A LYS 82.A NZ ASP 4.A O no hydrogen 2.646 N/A LYS 82.A NZ GLU 13.A OE2 no hydrogen 2.713 N/A GLU 84.A N GLU 84.A OE2 no hydrogen 2.621 N/A PHE 85.A N LYS 82.A O no hydrogen 3.061 N/A ASN 86.A N LYS 82.A O no hydrogen 3.081 N/A GLY 87.A N PRO 83.A O no hydrogen 3.151 N/A LEU 88.A N GLU 84.A O no hydrogen 2.831 N/A GLY 89.A N PHE 85.A O no hydrogen 2.684 N/A SER 90.A N ASN 86.A O no hydrogen 2.936 N/A SER 90.A OG ASN 86.A O no hydrogen 3.258 N/A THR 91.A N GLY 87.A O no hydrogen 2.975 N/A THR 91.A OG1 GLY 87.A O no hydrogen 2.700 N/A PHE 92.A N LEU 88.A O no hydrogen 3.051 N/A ALA 93.A N GLY 89.A O no hydrogen 2.732 N/A GLU 94.A N SER 90.A O no hydrogen 2.920 N/A CYS 95.A N THR 91.A O no hydrogen 3.176 N/A CYS 95.A SG HIS 99.A NE2 no hydrogen 3.401 N/A CYS 95.A SG HIS 197.A NE2 no hydrogen 3.563 N/A GLU 96.A N PHE 92.A O no hydrogen 2.999 N/A PHE 97.A N ALA 93.A O no hydrogen 3.195 N/A ARG 98.A N GLU 94.A O no hydrogen 3.117 N/A ARG 98.A NE GLU 94.A OE1 no hydrogen 2.810 N/A ARG 98.A NE GLU 94.A OE2 no hydrogen 3.339 N/A ARG 98.A NH1 TRP 29.A O no hydrogen 2.858 N/A ARG 98.A NH2 GLU 94.A OE1 no hydrogen 3.512 N/A HIS 99.A N CYS 95.A O no hydrogen 3.095 N/A HIS 99.A ND1 GLU 194.A OE2 no hydrogen 2.863 N/A HIS 99.A NE2 ASP 193.A OD2 no hydrogen 2.780 N/A SER 100.A N GLU 96.A O no hydrogen 2.698 N/A SER 100.A OG GLU 96.A O no hydrogen 3.324 N/A SER 100.A OG PHE 97.A O no hydrogen 2.890 N/A GLU 101.A N PHE 97.A O no hydrogen 3.059 N/A ALA 102.A N ARG 98.A O no hydrogen 3.105 N/A TYR 103.A N HIS 99.A O no hydrogen 3.076 N/A TYR 103.A OH THR 190.A OG1 no hydrogen 2.888 N/A SER 104.A N SER 100.A O no hydrogen 2.918 N/A ARG 105.A N GLU 101.A O no hydrogen 2.964 N/A LEU 106.A N ALA 102.A O no hydrogen 3.115 N/A LEU 107.A N TYR 103.A O no hydrogen 3.055 N/A GLU 108.A N SER 104.A O no hydrogen 3.191 N/A VAL 109.A N ARG 105.A O no hydrogen 2.847 N/A LEU 110.A N LEU 106.A O no hydrogen 3.172 N/A GLY 111.A N GLU 108.A O no hydrogen 3.237 N/A TYR 112.A N LEU 107.A O no hydrogen 2.766 N/A PHE 116.A N TYR 112.A O no hydrogen 2.922 N/A GLU 117.A N ASN 113.A O no hydrogen 2.953 N/A LYS 118.A N ASP 114.A O no hydrogen 3.198 N/A LEU 119.A N PHE 116.A O no hydrogen 3.317 N/A ASP 121.A N LYS 118.A O no hydrogen 3.108 N/A VAL 122.A N LEU 119.A O no hydrogen 3.090 N/A ILE 125.A N VAL 122.A O no hydrogen 3.225 N/A ARG 126.A N VAL 122.A O no hydrogen 3.138 N/A ARG 127.A N PRO 123.A O no hydrogen 2.946 N/A ARG 128.A N VAL 124.A O no hydrogen 3.203 N/A ARG 128.A NE GLN 64.A OE1 no hydrogen 3.104 N/A ARG 128.A NH1 GLN 64.A OE1 no hydrogen 3.349 N/A ARG 128.A NH2 GLU 235.A OE1 no hydrogen 3.186 N/A ARG 128.A NH2 GLU 235.A OE2 no hydrogen 3.352 N/A VAL 129.A N ILE 125.A O no hydrogen 2.850 N/A ASP 130.A N ARG 126.A O no hydrogen 3.113 N/A TYR 131.A N ARG 127.A O no hydrogen 3.219 N/A TYR 131.A OH THR 227.A O no hydrogen 2.242 N/A LEU 132.A N ARG 128.A O no hydrogen 2.724 N/A SER 133.A N VAL 129.A O no hydrogen 2.976 N/A SER 133.A OG VAL 129.A O no hydrogen 2.412 N/A VAL 135.A N TYR 131.A O no hydrogen 3.272 N/A LEU 136.A N SER 133.A O no hydrogen 3.161 N/A THR 139.A N LEU 136.A O no hydrogen 3.181 N/A THR 139.A OG1 LEU 136.A O no hydrogen 2.525 N/A ARG 145.A N ASP 143.A OD1 no hydrogen 3.292 N/A TYR 147.A N ASP 143.A O no hydrogen 2.771 N/A MET 148.A N ASN 144.A O no hydrogen 2.930 N/A VAL 149.A N ARG 145.A O no hydrogen 3.219 N/A SER 150.A N LYS 146.A O no hydrogen 3.246 N/A SER 150.A OG ASP 138.A O no hydrogen 2.889 N/A SER 150.A OG TYR 147.A O no hydrogen 2.644 N/A LEU 151.A N TYR 147.A O no hydrogen 2.930 N/A ILE 152.A N MET 148.A O no hydrogen 2.974 N/A LEU 153.A N VAL 149.A O no hydrogen 3.050 N/A PHE 154.A N SER 150.A O no hydrogen 2.753 N/A SER 155.A N LEU 151.A O no hydrogen 3.156 N/A SER 155.A OG LEU 151.A O no hydrogen 2.954 N/A ILE 156.A N ILE 152.A O no hydrogen 3.156 N/A LEU 157.A N LEU 153.A O no hydrogen 3.073 N/A GLU 159.A N PHE 154.A O no hydrogen 3.135 N/A ASN 160.A ND2 SER 267.A OG no hydrogen 2.942 N/A VAL 161.A N LEU 157.A O no hydrogen 3.210 N/A SER 162.A N LEU 157.A O no hydrogen 2.808 N/A SER 162.A OG LEU 157.A O no hydrogen 2.452 N/A PHE 164.A N VAL 161.A O no hydrogen 3.316 N/A GLN 166.A NE2 SER 162.A O no hydrogen 2.966 N/A PHE 167.A N LEU 163.A O no hydrogen 2.976 N/A ALA 168.A N PHE 164.A O no hydrogen 3.135 N/A ILE 169.A N SER 165.A O no hydrogen 3.228 N/A LEU 170.A N GLN 166.A O no hydrogen 3.197 N/A LEU 171.A N PHE 167.A O no hydrogen 3.015 N/A SER 172.A N ALA 168.A O no hydrogen 2.970 N/A SER 172.A OG ILE 169.A O no hydrogen 2.478 N/A PHE 173.A N LEU 170.A O no hydrogen 3.235 N/A THR 174.A N LEU 171.A O no hydrogen 3.079 N/A THR 174.A OG1 TYR 179.A O no hydrogen 2.800 N/A THR 174.A OG1 SER 184.A OG no hydrogen 2.385 N/A ARG 175.A N LEU 171.A O no hydrogen 3.102 N/A ARG 175.A NH1 GLU 292.A OE1 no hydrogen 3.264 N/A ARG 175.A NH1 GLU 293.A OE1 no hydrogen 2.895 N/A ARG 175.A NH2 GLU 292.A OE1 no hydrogen 3.313 N/A PHE 176.A N SER 172.A O no hydrogen 3.156 N/A LYS 177.A N PHE 173.A O no hydrogen 3.187 N/A LYS 177.A NZ GLU 51.A OE2 no hydrogen 3.140 N/A LYS 177.A NZ GLU 249.A OE1 no hydrogen 2.816 N/A GLY 178.A N THR 174.A O no hydrogen 3.118 N/A TYR 179.A N PHE 173.A O no hydrogen 2.989 N/A ASN 182.A N ASP 39.A OD1 no hydrogen 3.353 N/A ASN 182.A ND2 ASP 39.A OD1 no hydrogen 2.589 N/A VAL 183.A N ASP 39.A OD2 no hydrogen 2.600 N/A SER 184.A N MET 180.A O no hydrogen 2.883 N/A SER 184.A OG THR 174.A OG1 no hydrogen 2.385 N/A SER 184.A OG MET 180.A O no hydrogen 3.319 N/A ASN 185.A N LYS 181.A O no hydrogen 3.067 N/A ILE 186.A N ASN 182.A O no hydrogen 3.329 N/A ILE 187.A N VAL 183.A O no hydrogen 2.962 N/A ALA 188.A N SER 184.A O no hydrogen 2.828 N/A TRP 189.A N ASN 185.A O no hydrogen 2.990 N/A TRP 189.A NE1 SER 298.A O no hydrogen 2.940 N/A THR 190.A N ILE 186.A O no hydrogen 2.843 N/A THR 190.A OG1 TYR 103.A OH no hydrogen 2.888 N/A THR 190.A OG1 ILE 186.A O no hydrogen 2.608 N/A SER 191.A N ILE 187.A O no hydrogen 2.757 N/A SER 191.A OG ILE 187.A O no hydrogen 3.473 N/A SER 191.A OG ALA 188.A O no hydrogen 2.912 N/A ILE 192.A N ALA 188.A O no hydrogen 3.026 N/A ASP 193.A N TRP 189.A O no hydrogen 3.145 N/A GLU 194.A N THR 190.A O no hydrogen 2.867 N/A GLN 195.A N SER 191.A O no hydrogen 3.103 N/A GLN 195.A NE2 ASN 160.A OD1 no hydrogen 3.435 N/A GLN 195.A NE2 GLN 195.A O no hydrogen 3.609 N/A GLN 195.A NE2 ASN 199.A OD1 no hydrogen 3.258 N/A ILE 196.A N ILE 192.A O no hydrogen 3.146 N/A HIS 197.A N ASP 193.A O no hydrogen 2.940 N/A ALA 198.A N GLU 194.A O no hydrogen 2.865 N/A ASN 199.A N GLN 195.A O no hydrogen 2.890 N/A GLY 200.A N ILE 196.A O no hydrogen 2.769 N/A GLY 201.A N HIS 197.A O no hydrogen 2.884 N/A ILE 202.A N ALA 198.A O no hydrogen 2.806 N/A TYR 203.A N ASN 199.A O no hydrogen 2.972 N/A TYR 203.A OH GLU 16.A OE1 no hydrogen 2.711 N/A ILE 204.A N GLY 200.A O no hydrogen 3.270 N/A ILE 205.A N GLY 201.A O no hydrogen 2.953 N/A ASN 206.A N ILE 202.A O no hydrogen 2.986 N/A ASN 206.A ND2 GLN 270.A O no hydrogen 2.793 N/A LYS 207.A N TYR 203.A O no hydrogen 3.021 N/A ILE 208.A N ILE 204.A O no hydrogen 2.947 N/A ARG 209.A N ILE 205.A O no hydrogen 2.928 N/A ARG 209.A NH2 ASN 206.A OD1 no hydrogen 3.213 N/A GLU 210.A N ASN 206.A O no hydrogen 2.934 N/A GLU 211.A N LYS 207.A O no hydrogen 3.229 N/A PHE 212.A N ILE 208.A O no hydrogen 2.708 N/A TYR 215.A N PHE 212.A O no hydrogen 3.254 N/A PHE 216.A N PRO 213.A O no hydrogen 3.392 N/A GLU 218.A N GLU 218.A OE1 no hydrogen 2.682 N/A GLU 219.A N GLU 219.A OE1 no hydrogen 2.495 N/A THR 220.A N ASP 217.A OD1 no hydrogen 3.120 N/A THR 220.A OG1 ASP 217.A OD1 no hydrogen 2.538 N/A LEU 221.A N ASP 217.A O no hydrogen 3.330 N/A ALA 222.A N GLU 218.A O no hydrogen 3.020 N/A LEU 223.A N GLU 219.A O no hydrogen 2.986 N/A VAL 224.A N THR 220.A O no hydrogen 2.991 N/A ARG 225.A N LEU 221.A O no hydrogen 3.142 N/A ARG 225.A NE PRO 274.A O no hydrogen 3.257 N/A ARG 225.A NH2 VAL 275.A O no hydrogen 3.318 N/A GLU 226.A N ALA 222.A O no hydrogen 3.011 N/A THR 227.A N LEU 223.A O no hydrogen 2.875 N/A THR 227.A OG1 LEU 223.A O no hydrogen 2.462 N/A VAL 228.A N VAL 224.A O no hydrogen 2.866 N/A LYS 229.A N ARG 225.A O no hydrogen 3.060 N/A ASP 230.A N GLU 226.A O no hydrogen 3.050 N/A SER 231.A N VAL 228.A O no hydrogen 2.897 N/A SER 231.A OG VAL 228.A O no hydrogen 2.939 N/A VAL 234.A N ASP 230.A O no hydrogen 3.440 N/A GLU 235.A N SER 231.A O no hydrogen 2.799 N/A SER 236.A N ILE 232.A O no hydrogen 2.903 N/A SER 236.A OG ILE 232.A O no hydrogen 2.484 N/A ASP 237.A N ALA 233.A O no hydrogen 3.221 N/A ILE 238.A N VAL 234.A O no hydrogen 2.899 N/A LEU 239.A N GLU 235.A O no hydrogen 2.927 N/A ASP 240.A N SER 236.A O no hydrogen 3.172 N/A TRP 241.A N ASP 237.A O no hydrogen 3.202 N/A ILE 242.A N ILE 238.A O no hydrogen 2.892 N/A PHE 243.A N LEU 239.A O no hydrogen 3.182 N/A GLU 244.A N TRP 241.A O no hydrogen 3.428 N/A GLY 246.A N PHE 243.A O no hydrogen 3.148 N/A LYS 252.A NZ GLU 247.A OE2 no hydrogen 3.468 N/A LYS 252.A NZ ILE 248.A O no hydrogen 2.973 N/A LYS 253.A NZ SER 236.A O no hydrogen 3.270 N/A LYS 253.A NZ ASP 240.A OD1 no hydrogen 2.519 N/A LYS 253.A NZ ASP 240.A OD2 no hydrogen 3.140 N/A LEU 256.A N LYS 252.A O no hydrogen 3.243 N/A VAL 257.A N LYS 253.A O no hydrogen 2.924 N/A ASN 258.A N GLY 254.A O no hydrogen 3.175 N/A PHE 259.A N ASP 255.A O no hydrogen 2.708 N/A MET 260.A N LEU 256.A O no hydrogen 2.973 N/A LYS 261.A N VAL 257.A O no hydrogen 2.980 N/A PHE 262.A N ASN 258.A O no hydrogen 3.038 N/A ARG 263.A N PHE 259.A O no hydrogen 3.109 N/A ARG 263.A NE ASN 160.A O no hydrogen 2.991 N/A ARG 263.A NH2 ASN 160.A O no hydrogen 3.190 N/A ARG 263.A NH2 ASN 160.A OD1 no hydrogen 2.502 N/A ARG 263.A NH2 GLN 195.A OE1 no hydrogen 2.882 N/A ILE 264.A N MET 260.A O no hydrogen 2.890 N/A ASP 265.A N LYS 261.A O no hydrogen 3.027 N/A GLU 266.A N PHE 262.A O no hydrogen 2.932 N/A SER 267.A N ARG 263.A O no hydrogen 3.017 N/A SER 267.A OG ARG 263.A O no hydrogen 3.567 N/A LEU 268.A N ILE 264.A O no hydrogen 3.008 N/A LYS 269.A N ASP 265.A O no hydrogen 3.060 N/A LYS 269.A NZ GLU 266.A OE2 no hydrogen 2.942 N/A GLN 270.A NE2 GLU 266.A O no hydrogen 3.547 N/A ILE 271.A N LEU 268.A O no hydrogen 3.255 N/A ASN 272.A N LYS 269.A O no hydrogen 3.114 N/A ILE 273.A N LEU 268.A O no hydrogen 2.807 N/A ILE 276.A N ASP 265.A OD1 no hydrogen 3.178 N/A PHE 277.A N ASP 265.A OD1 no hydrogen 3.290 N/A ASP 278.A N ASP 265.A OD2 no hydrogen 2.539 N/A ASP 283.A N LYS 280.A O no hydrogen 2.812 N/A TYR 284.A N LYS 280.A O no hydrogen 3.141 N/A ALA 286.A N ASP 283.A O no hydrogen 3.448 N/A ALA 288.A N LYS 285.A O no hydrogen 3.199 N/A PHE 290.A N LEU 287.A O no hydrogen 3.156 N/A GLU 293.A N TRP 289.A O no hydrogen 2.912 N/A VAL 294.A N PHE 290.A O no hydrogen 3.015 N/A PHE 295.A N GLU 291.A O no hydrogen 3.118 N/A ALA 296.A N GLU 292.A O no hydrogen 2.812 N/A ASN 297.A N GLU 293.A O no hydrogen 3.011 N/A ASN 297.A ND2 GLU 293.A O no hydrogen 2.716 N/A ASN 297.A ND2 GLU 293.A OE2 no hydrogen 2.682 N/A SER 298.A N PHE 295.A O no hydrogen 3.236 N/A SER 298.A OG VAL 294.A O no hydrogen 2.482 N/A