Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5in8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A OG GLU 258.A OE1 no hydrogen 2.671 N/A SER 6.A OG GLU 258.A OE2 no hydrogen 3.210 N/A PHE 8.A N SER 6.A OG no hydrogen 3.229 N/A CYS 12.A SG HIS 13.A O no hydrogen 3.747 N/A HIS 13.A N CYS 52.A O no hydrogen 2.882 N/A HIS 13.A NE2 ALA 58.A O no hydrogen 2.882 N/A LEU 15.A N HIS 13.A ND1 no hydrogen 3.088 N/A VAL 16.A N HIS 13.A O no hydrogen 3.017 N/A VAL 19.A N LEU 15.A O no hydrogen 3.032 N/A SER 20.A N VAL 16.A O no hydrogen 3.063 N/A SER 20.A OG VAL 16.A O no hydrogen 2.383 N/A LYS 21.A N GLU 17.A O no hydrogen 3.282 N/A GLU 22.A N GLU 18.A O no hydrogen 3.182 N/A VAL 23.A N VAL 19.A O no hydrogen 2.769 N/A ASP 24.A N SER 20.A O no hydrogen 2.776 N/A GLY 25.A N LYS 21.A O no hydrogen 3.146 N/A TYR 26.A N GLU 22.A O no hydrogen 3.110 N/A PHE 27.A N VAL 23.A O no hydrogen 3.155 N/A LEU 28.A N ASP 24.A O no hydrogen 2.918 N/A GLN 29.A N GLY 25.A O no hydrogen 3.180 N/A GLN 29.A N TYR 26.A O no hydrogen 3.206 N/A HIS 30.A N TYR 26.A O no hydrogen 2.996 N/A HIS 30.A ND1 TYR 113.A OH no hydrogen 2.994 N/A TRP 31.A N PHE 27.A O no hydrogen 2.762 N/A PHE 33.A N TRP 31.A O no hydrogen 3.034 N/A ALA 38.A N ASN 35.A OD1 no hydrogen 3.066 N/A ARG 39.A N ASN 35.A O no hydrogen 3.100 N/A ARG 39.A NH2 LEU 28.A O no hydrogen 2.676 N/A LYS 40.A N GLU 36.A O no hydrogen 2.929 N/A LYS 40.A NZ GLU 36.A OE2 no hydrogen 3.514 N/A LYS 41.A N LYS 37.A O no hydrogen 3.132 N/A PHE 42.A N ALA 38.A O no hydrogen 2.994 N/A VAL 43.A N ARG 39.A O no hydrogen 3.284 N/A ALA 44.A N LYS 40.A O no hydrogen 2.904 N/A ALA 45.A N LYS 41.A O no hydrogen 3.186 N/A GLY 46.A N VAL 43.A O no hydrogen 3.280 N/A ARG 49.A N GLY 46.A O no hydrogen 3.237 N/A ARG 49.A NH1 THR 298.A OG1 no hydrogen 3.056 N/A ARG 49.A NH2 THR 298.A OG1 no hydrogen 3.267 N/A VAL 50.A N GLY 46.A O no hydrogen 3.211 N/A THR 51.A OG1 PHE 47.A O no hydrogen 2.807 N/A CYS 52.A N SER 48.A O no hydrogen 3.040 N/A CYS 52.A SG SER 48.A O no hydrogen 3.190 N/A LEU 53.A N ARG 49.A O no hydrogen 2.898 N/A LEU 53.A N VAL 50.A O no hydrogen 3.192 N/A TYR 54.A N VAL 50.A O no hydrogen 2.738 N/A TYR 54.A OH ASN 292.A OD1 no hydrogen 2.462 N/A PHE 55.A N THR 51.A O no hydrogen 2.888 N/A LYS 57.A NZ GLU 283.A OE1 no hydrogen 3.557 N/A LYS 57.A NZ GLU 283.A OE2 no hydrogen 2.919 N/A ALA 58.A N PHE 55.A O no hydrogen 3.287 N/A LEU 59.A N SER 178.A O no hydrogen 2.665 N/A ARG 62.A N LEU 59.A O no hydrogen 3.064 N/A ARG 62.A NE PHE 177.A O no hydrogen 2.735 N/A ARG 62.A NH2 ASP 126.A OD2 no hydrogen 2.416 N/A ARG 62.A NH2 PHE 177.A O no hydrogen 3.162 N/A ILE 63.A N LEU 59.A O no hydrogen 2.994 N/A PHE 65.A N ARG 62.A O no hydrogen 3.169 N/A CYS 67.A N ILE 63.A O no hydrogen 3.145 N/A CYS 67.A SG SER 48.A O no hydrogen 3.847 N/A CYS 67.A SG ILE 63.A O no hydrogen 3.328 N/A ARG 68.A N HIS 64.A O no hydrogen 3.119 N/A ARG 68.A NE HIS 64.A ND1 no hydrogen 3.062 N/A ARG 68.A NH2 GLU 22.A OE2 no hydrogen 3.219 N/A LEU 69.A N PHE 65.A O no hydrogen 3.128 N/A LEU 70.A N ALA 66.A O no hydrogen 3.049 N/A THR 71.A N CYS 67.A O no hydrogen 2.979 N/A THR 71.A OG1 CYS 67.A O no hydrogen 2.656 N/A VAL 72.A N ARG 68.A O no hydrogen 3.053 N/A LEU 73.A N LEU 69.A O no hydrogen 3.165 N/A PHE 74.A N LEU 70.A O no hydrogen 3.011 N/A LEU 75.A N THR 71.A O no hydrogen 3.075 N/A ILE 76.A N VAL 72.A O no hydrogen 2.987 N/A ASP 77.A N LEU 73.A O no hydrogen 2.973 N/A ASP 78.A N PHE 74.A O no hydrogen 3.069 N/A LEU 79.A N LEU 75.A O no hydrogen 3.242 N/A LEU 80.A N ILE 76.A O no hydrogen 2.975 N/A TYR 82.A N LEU 79.A O no hydrogen 3.168 N/A MET 83.A N LEU 80.A O no hydrogen 2.998 N/A SER 84.A N GLU 87.A OE1 no hydrogen 3.167 N/A PHE 85.A N GLU 224.A OE1 no hydrogen 2.790 N/A GLU 87.A N SER 84.A OG no hydrogen 3.211 N/A GLY 88.A N SER 84.A O no hydrogen 2.985 N/A SER 89.A N PHE 85.A O no hydrogen 3.073 N/A ALA 90.A N GLU 86.A O no hydrogen 3.026 N/A TYR 91.A N GLU 87.A O no hydrogen 2.990 N/A ASN 92.A N GLY 88.A O no hydrogen 2.938 N/A GLU 93.A N SER 89.A O no hydrogen 2.935 N/A LYS 94.A NZ GLU 112.A OE1 no hydrogen 2.743 N/A LEU 95.A N ASN 92.A O no hydrogen 2.938 N/A SER 99.A N LEU 95.A O no hydrogen 2.812 N/A SER 99.A OG LEU 95.A O no hydrogen 2.620 N/A ARG 100.A N ILE 96.A O no hydrogen 3.152 N/A ARG 100.A NH2 GLU 135.A OE2 no hydrogen 2.976 N/A GLY 101.A N PRO 97.A O no hydrogen 2.985 N/A ASP 102.A N PRO 97.A O no hydrogen 2.974 N/A ASP 106.A N GLU 112.A OE2 no hydrogen 2.648 N/A ARG 107.A NH1 ASP 117.A OD2 no hydrogen 2.981 N/A ARG 107.A NH2 ASP 117.A OD1 no hydrogen 2.729 N/A ARG 107.A NH2 ASP 117.A OD2 no hydrogen 3.386 N/A SER 108.A N ASP 106.A OD2 no hydrogen 2.974 N/A SER 108.A OG ASP 106.A OD2 no hydrogen 2.419 N/A ILE 109.A N ASP 106.A O no hydrogen 2.779 N/A GLU 112.A N ILE 109.A O no hydrogen 3.020 N/A TYR 113.A N ILE 109.A O no hydrogen 3.447 N/A TYR 113.A OH HIS 30.A ND1 no hydrogen 2.994 N/A ILE 114.A N PRO 110.A O no hydrogen 2.970 N/A ILE 115.A N VAL 111.A O no hydrogen 3.103 N/A TYR 116.A N GLU 112.A O no hydrogen 3.036 N/A ASP 117.A N TYR 113.A O no hydrogen 2.916 N/A LEU 118.A N ILE 114.A O no hydrogen 3.129 N/A TRP 119.A N ILE 115.A O no hydrogen 3.274 N/A GLU 120.A N TYR 116.A O no hydrogen 3.004 N/A SER 121.A N ASP 117.A O no hydrogen 2.969 N/A SER 121.A OG ASP 117.A O no hydrogen 3.131 N/A SER 121.A OG LEU 118.A O no hydrogen 2.515 N/A MET 122.A N LEU 118.A O no hydrogen 3.004 N/A ARG 123.A N TRP 119.A O no hydrogen 3.004 N/A ARG 123.A NH1 SER 99.A O no hydrogen 3.559 N/A ARG 123.A NH1 GLU 120.A OE2 no hydrogen 2.844 N/A ARG 123.A NH2 SER 99.A O no hydrogen 2.887 N/A ALA 124.A N GLU 120.A O no hydrogen 3.149 N/A HIS 125.A N SER 121.A O no hydrogen 3.260 N/A ASP 126.A N MET 122.A O no hydrogen 2.984 N/A MET 129.A N ASP 126.A OD1 no hydrogen 3.374 N/A ALA 130.A N ASP 126.A O no hydrogen 3.052 N/A ASP 131.A N ARG 127.A O no hydrogen 3.146 N/A ILE 133.A N ALA 130.A O no hydrogen 3.211 N/A LEU 134.A N ASP 131.A O no hydrogen 3.376 N/A VAL 137.A N ILE 133.A O no hydrogen 3.027 N/A PHE 138.A N LEU 134.A O no hydrogen 2.948 N/A LEU 139.A N GLU 135.A O no hydrogen 2.884 N/A PHE 140.A N PRO 136.A O no hydrogen 3.148 N/A MET 141.A N VAL 137.A O no hydrogen 2.862 N/A ARG 142.A N PHE 138.A O no hydrogen 2.969 N/A ARG 142.A NE GLU 93.A OE2 no hydrogen 2.642 N/A ARG 142.A NH2 GLU 93.A OE1 no hydrogen 3.160 N/A ARG 142.A NH2 GLU 93.A OE2 no hydrogen 3.432 N/A ALA 143.A N LEU 139.A O no hydrogen 3.187 N/A HIS 144.A N MET 141.A O no hydrogen 3.123 N/A HIS 144.A ND1 PHE 140.A O no hydrogen 2.636 N/A THR 145.A N ARG 142.A O no hydrogen 3.409 N/A THR 145.A OG1 ARG 142.A O no hydrogen 3.387 N/A ASP 146.A N ALA 143.A O no hydrogen 3.406 N/A THR 148.A N ASP 146.A OD1 no hydrogen 3.157 N/A ARG 149.A N ASP 146.A O no hydrogen 3.325 N/A ARG 149.A NH1 TYR 161.A OH no hydrogen 2.954 N/A ALA 150.A N ARG 147.A O no hydrogen 3.367 N/A ARG 151.A N THR 148.A O no hydrogen 3.287 N/A LEU 155.A N GLU 238.A OE1 no hydrogen 3.432 N/A TYR 158.A N GLY 154.A O no hydrogen 2.837 N/A TYR 158.A OH ASP 207.A OD2 no hydrogen 2.419 N/A LEU 159.A N LEU 155.A O no hydrogen 3.170 N/A GLU 160.A N GLY 156.A O no hydrogen 3.289 N/A TYR 161.A N GLY 157.A O no hydrogen 3.273 N/A TYR 161.A OH ALA 143.A O no hydrogen 2.442 N/A ARG 162.A N TYR 158.A O no hydrogen 2.689 N/A ARG 162.A NE ASP 165.A OD2 no hydrogen 2.892 N/A ARG 162.A NH1 SER 203.A O no hydrogen 3.520 N/A ARG 162.A NH1 ASN 206.A OD1 no hydrogen 3.371 N/A ARG 162.A NH2 ASP 165.A OD2 no hydrogen 2.625 N/A GLU 163.A N LEU 159.A O no hydrogen 3.272 N/A ARG 164.A N TYR 161.A O no hydrogen 2.922 N/A ARG 164.A NH2 GLU 160.A OE2 no hydrogen 3.314 N/A ASP 165.A N TYR 161.A O no hydrogen 3.417 N/A VAL 166.A N ARG 162.A O no hydrogen 2.663 N/A GLY 167.A N ARG 164.A O no hydrogen 3.134 N/A LYS 168.A N GLU 163.A O no hydrogen 3.176 N/A LYS 168.A NZ LYS 168.A O no hydrogen 3.516 N/A LYS 168.A NZ ASP 195.A OD1 no hydrogen 2.984 N/A LEU 171.A N GLY 167.A O no hydrogen 2.918 N/A ALA 172.A N LYS 168.A O no hydrogen 3.036 N/A ALA 173.A N GLU 169.A O no hydrogen 2.983 N/A LEU 174.A N LEU 170.A O no hydrogen 2.720 N/A MET 175.A N LEU 171.A O no hydrogen 2.916 N/A ARG 176.A N ALA 172.A O no hydrogen 3.129 N/A PHE 177.A N ALA 173.A O no hydrogen 3.038 N/A SER 178.A N LEU 174.A O no hydrogen 2.871 N/A SER 178.A OG LEU 174.A O no hydrogen 3.166 N/A SER 178.A OG MET 175.A O no hydrogen 2.858 N/A MET 179.A N MET 175.A O no hydrogen 2.966 N/A GLY 180.A N PHE 177.A O no hydrogen 3.191 N/A LEU 181.A N ARG 176.A O no hydrogen 2.791 N/A LYS 182.A NZ GLU 128.A OE1 no hydrogen 3.551 N/A SER 184.A N GLU 187.A OE2 no hydrogen 2.917 N/A SER 184.A OG GLU 187.A OE2 no hydrogen 3.045 N/A GLU 187.A N SER 184.A OG no hydrogen 3.210 N/A LEU 188.A N SER 184.A O no hydrogen 2.965 N/A GLN 189.A N PRO 185.A O no hydrogen 3.019 N/A ARG 190.A N GLU 187.A O no hydrogen 3.085 N/A ARG 190.A NH1 LEU 273.A O no hydrogen 2.710 N/A ASP 195.A N VAL 191.A O no hydrogen 2.916 N/A ALA 196.A N ARG 192.A O no hydrogen 3.142 N/A ASN 197.A N GLU 193.A O no hydrogen 3.306 N/A ASN 197.A ND2 TRP 257.A O no hydrogen 2.847 N/A CYS 198.A N ILE 194.A O no hydrogen 2.943 N/A SER 199.A N ASP 195.A O no hydrogen 2.839 N/A LYS 200.A N ALA 196.A O no hydrogen 3.333 N/A HIS 201.A NE2 GLU 258.A OE2 no hydrogen 2.852 N/A LEU 202.A N CYS 198.A O no hydrogen 3.091 N/A SER 203.A N SER 199.A O no hydrogen 3.022 N/A SER 203.A OG SER 199.A O no hydrogen 2.750 N/A VAL 204.A N LYS 200.A O no hydrogen 3.085 N/A VAL 205.A N HIS 201.A O no hydrogen 3.034 N/A ASN 206.A N LEU 202.A O no hydrogen 3.232 N/A ASP 207.A N SER 203.A O no hydrogen 2.874 N/A ILE 208.A N VAL 204.A O no hydrogen 2.846 N/A TYR 209.A N VAL 205.A O no hydrogen 3.441 N/A SER 210.A N ASN 206.A O no hydrogen 2.932 N/A SER 210.A OG ASN 206.A O no hydrogen 2.568 N/A SER 210.A OG ASN 206.A OD1 no hydrogen 3.301 N/A SER 210.A OG GLU 214.A OE2 no hydrogen 3.075 N/A GLU 214.A N SER 210.A O no hydrogen 3.096 N/A LEU 215.A N TYR 211.A O no hydrogen 2.803 N/A TYR 216.A N GLU 212.A O no hydrogen 3.132 N/A THR 217.A N LYS 213.A O no hydrogen 2.872 N/A THR 217.A OG1 LYS 213.A O no hydrogen 3.049 N/A SER 218.A N GLU 214.A O no hydrogen 2.968 N/A SER 218.A OG GLU 214.A O no hydrogen 3.267 N/A SER 218.A OG LEU 215.A O no hydrogen 2.482 N/A LYS 219.A N LEU 215.A O no hydrogen 3.194 N/A LYS 219.A N TYR 216.A O no hydrogen 3.138 N/A THR 220.A N THR 217.A O no hydrogen 3.275 N/A THR 220.A OG1 TYR 216.A O no hydrogen 2.797 N/A ALA 221.A N THR 217.A O no hydrogen 2.769 N/A HIS 222.A N GLU 81.A O no hydrogen 3.110 N/A GLU 224.A N HIS 222.A ND1 no hydrogen 2.938 N/A GLY 226.A N HIS 222.A O no hydrogen 2.921 N/A ILE 227.A N GLU 224.A O no hydrogen 3.197 N/A SER 231.A N ASP 207.A OD2 no hydrogen 3.355 N/A SER 231.A OG ASP 207.A OD2 no hydrogen 3.041 N/A VAL 232.A N THR 230.A OG1 no hydrogen 3.149 N/A GLN 233.A NE2 LEU 228.A O no hydrogen 3.330 N/A ILE 234.A N THR 230.A O no hydrogen 3.241 N/A LEU 235.A N SER 231.A O no hydrogen 2.910 N/A ALA 236.A N VAL 232.A O no hydrogen 3.182 N/A GLN 237.A N GLN 233.A O no hydrogen 3.115 N/A GLU 238.A N ILE 234.A O no hydrogen 2.963 N/A ALA 239.A N LEU 235.A O no hydrogen 2.998 N/A VAL 241.A N ALA 236.A O no hydrogen 2.971 N/A ALA 245.A N THR 242.A OG1 no hydrogen 3.274 N/A ALA 246.A N THR 242.A O no hydrogen 3.125 N/A LYS 247.A N ALA 243.A O no hydrogen 3.036 N/A LYS 247.A NZ GLU 212.A OE2 no hydrogen 3.442 N/A LYS 247.A NZ GLU 244.A OE1 no hydrogen 2.988 N/A ARG 248.A N GLU 244.A O no hydrogen 3.365 N/A VAL 249.A N ALA 245.A O no hydrogen 3.257 N/A LEU 250.A N ALA 246.A O no hydrogen 2.734 N/A PHE 251.A N LYS 247.A O no hydrogen 2.919 N/A VAL 252.A N ARG 248.A O no hydrogen 3.436 N/A MET 253.A N VAL 249.A O no hydrogen 3.124 N/A CYS 254.A N LEU 250.A O no hydrogen 2.960 N/A CYS 254.A SG LEU 250.A O no hydrogen 3.230 N/A ARG 255.A N PHE 251.A O no hydrogen 3.301 N/A ARG 255.A NE PRO 4.A O no hydrogen 2.930 N/A ARG 255.A NH1 GLU 258.A OE2 no hydrogen 2.652 N/A ARG 255.A NH1 GLU 293.A OE1 no hydrogen 3.024 N/A ARG 255.A NH2 PRO 4.A O no hydrogen 2.839 N/A ARG 255.A NH2 GLU 293.A OE2 no hydrogen 2.730 N/A GLU 256.A N VAL 252.A O no hydrogen 3.287 N/A TRP 257.A N MET 253.A O no hydrogen 3.190 N/A GLU 258.A N CYS 254.A O no hydrogen 3.068 N/A LEU 259.A N ARG 255.A O no hydrogen 3.006 N/A ARG 260.A N GLU 256.A O no hydrogen 2.922 N/A HIS 261.A N TRP 257.A O no hydrogen 2.967 N/A GLN 262.A N GLU 258.A O no hydrogen 3.246 N/A LEU 263.A N LEU 259.A O no hydrogen 3.092 N/A LEU 264.A N ARG 260.A O no hydrogen 2.776 N/A VAL 265.A N HIS 261.A O no hydrogen 2.975 N/A ALA 266.A N GLN 262.A O no hydrogen 2.943 N/A ARG 267.A N LEU 263.A O no hydrogen 3.001 N/A LEU 268.A N LEU 264.A O no hydrogen 2.915 N/A SER 269.A N VAL 265.A O no hydrogen 2.870 N/A SER 269.A N ALA 266.A O no hydrogen 3.124 N/A ALA 270.A N ALA 266.A O no hydrogen 2.728 N/A GLU 271.A N ARG 267.A O no hydrogen 3.327 N/A LEU 273.A N GLU 271.A O no hydrogen 2.690 N/A THR 275.A OG1 GLU 187.A OE1 no hydrogen 2.432 N/A LEU 278.A N THR 275.A OG1 no hydrogen 3.264 N/A ALA 279.A N THR 275.A O no hydrogen 2.803 N/A ALA 280.A N PRO 276.A O no hydrogen 3.196 N/A TYR 281.A N GLY 277.A O no hydrogen 3.012 N/A TYR 281.A OH ASP 195.A OD1 no hydrogen 2.720 N/A TYR 281.A OH ASP 195.A OD2 no hydrogen 3.264 N/A VAL 282.A N LEU 278.A O no hydrogen 2.820 N/A GLU 283.A N ALA 279.A O no hydrogen 3.232 N/A GLY 284.A N ALA 280.A O no hydrogen 3.017 N/A LEU 285.A N TYR 281.A O no hydrogen 2.985 N/A GLU 286.A N VAL 282.A O no hydrogen 3.334 N/A TYR 287.A N GLU 283.A O no hydrogen 3.101 N/A GLN 288.A N GLY 284.A O no hydrogen 3.016 N/A GLN 288.A NE2 LEU 171.A O no hydrogen 3.496 N/A MET 289.A N LEU 285.A O no hydrogen 3.038 N/A SER 290.A N GLU 286.A O no hydrogen 2.971 N/A SER 290.A OG GLU 286.A O no hydrogen 3.006 N/A SER 290.A OG TYR 287.A O no hydrogen 3.281 N/A GLY 291.A N TYR 287.A O no hydrogen 2.731 N/A ASN 292.A N GLN 288.A O no hydrogen 2.879 N/A ASN 292.A ND2 LEU 202.A O no hydrogen 3.448 N/A GLU 293.A N MET 289.A O no hydrogen 3.276 N/A LEU 294.A N SER 290.A O no hydrogen 3.123 N/A TRP 295.A N GLY 291.A O no hydrogen 3.101 N/A TRP 295.A NE1 ALA 45.A O no hydrogen 3.038 N/A SER 296.A N ASN 292.A O no hydrogen 3.113 N/A SER 296.A OG ASN 292.A O no hydrogen 2.590 N/A GLN 297.A N GLU 293.A O no hydrogen 2.960 N/A GLN 297.A N LEU 294.A O no hydrogen 3.178 N/A GLN 297.A NE2 TYR 209.A OH no hydrogen 3.266 N/A THR 298.A N TRP 295.A O no hydrogen 3.082 N/A THR 298.A OG1 LEU 294.A O no hydrogen 2.972 N/A THR 298.A OG1 TRP 295.A O no hydrogen 3.545 N/A THR 299.A N TRP 295.A O no hydrogen 2.795 N/A THR 299.A OG1 ALA 45.A O no hydrogen 2.725 N/A ARG 301.A N THR 299.A OG1 no hydrogen 3.271 N/A ARG 301.A NH1 ASP 78.A OD2 no hydrogen 2.967 N/A ARG 301.A NH2 ASP 78.A OD1 no hydrogen 2.927 N/A TYR 302.A N THR 299.A O no hydrogen 3.455 N/A SER 303.A OG THR 299.A O no hydrogen 3.212 N/A VAL 304.A N LEU 300.A O no hydrogen 2.989 N/A