Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6r3s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 8.A N ASP 5.A OD2 no hydrogen 2.822 N/A LYS 9.A N ASP 5.A O no hydrogen 2.971 N/A VAL 10.A N.A TYR 6.A O no hydrogen 2.921 N/A VAL 10.A N.B TYR 6.A O no hydrogen 2.907 N/A LYS 11.A N ASP 7.A O no hydrogen 2.982 N/A LYS 11.A NZ GLU 15.A OE2 no hydrogen 2.689 N/A LEU 12.A N PHE 8.A O no hydrogen 3.149 N/A SER 13.A N LYS 9.A O no hydrogen 3.105 N/A SER 14.A N VAL 10.A O.A no hydrogen 2.908 N/A SER 14.A N VAL 10.A O.B no hydrogen 2.967 N/A GLU 15.A N LYS 11.A O no hydrogen 3.021 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.731 N/A ASP 21.A N ARG 18.A O no hydrogen 3.104 N/A LEU 22.A N ARG 18.A O no hydrogen 3.321 N/A PHE 23.A N VAL 19.A O no hydrogen 3.030 N/A GLU 24.A N LYS 39.A O no hydrogen 2.962 N/A CYS 28.A N TYR 25.A O no hydrogen 2.852 N/A CYS 28.A SG GLU 26.A O no hydrogen 3.711 N/A VAL 30.A N VAL 35.A O no hydrogen 2.870 N/A GLY 31.A N VAL 35.A O no hydrogen 3.220 N/A VAL 35.A N GLY 31.A O no hydrogen 2.815 N/A TYR 36.A N LEU 51.A O no hydrogen 2.775 N/A LYS 37.A N CYS 28.A O no hydrogen 2.849 N/A ALA 38.A N TYR 49.A O no hydrogen 2.709 N/A LYS 39.A N GLU 24.A O no hydrogen 3.409 N/A LYS 39.A NZ ASP 46.A OD1 no hydrogen 3.488 N/A LYS 39.A NZ ASP 48.A OD1 no hydrogen 3.496 N/A ARG 40.A NE ASP 42.A OD2 no hydrogen 3.506 N/A ARG 40.A NH2 ASP 42.A OD2 no hydrogen 3.285 N/A LYS 41.A N LEU 22.A O no hydrogen 2.916 N/A LYS 41.A NZ GLU 20.A O no hydrogen 2.760 N/A LYS 44.A N ASP 42.A OD1 no hydrogen 2.740 N/A TYR 49.A N ALA 38.A O no hydrogen 2.755 N/A TYR 49.A OH ASP 45.A OD2 no hydrogen 2.511 N/A ALA 50.A N PHE 97.A O no hydrogen 2.836 N/A LEU 51.A N TYR 36.A O no hydrogen 2.938 N/A LYS 52.A N LEU 95.A O no hydrogen 2.883 N/A LYS 52.A NZ GLU 66.A OE1 no hydrogen 3.327 N/A LYS 52.A NZ GLU 66.A OE2 no hydrogen 2.830 N/A GLN 53.A N HIS 34.A O no hydrogen 2.956 N/A ILE 54.A N VAL 93.A O no hydrogen 2.960 N/A GLY 58.A N ARG 91.A O no hydrogen 2.745 N/A SER 60.A OG SER 62.A OG.A no hydrogen 2.765 N/A SER 62.A OG.A SER 60.A OG no hydrogen 2.765 N/A ALA 63.A N SER 60.A OG no hydrogen 3.251 N/A CYS 64.A N.A SER 60.A O no hydrogen 2.736 N/A CYS 64.A N.B SER 60.A O no hydrogen 2.732 N/A CYS 64.A SG.A ILE 59.A O no hydrogen 3.857 N/A CYS 64.A SG.A SER 60.A O no hydrogen 3.301 N/A ARG 65.A N MET 61.A O no hydrogen 3.018 N/A ARG 65.A NE PHE 173.A O no hydrogen 2.803 N/A GLU 66.A N SER 62.A O.A no hydrogen 3.068 N/A GLU 66.A N SER 62.A O.B no hydrogen 3.072 N/A ILE 67.A N ALA 63.A O no hydrogen 2.963 N/A ALA 68.A N CYS 64.A O.A no hydrogen 2.785 N/A ALA 68.A N CYS 64.A O.B no hydrogen 2.808 N/A LEU 69.A N ARG 65.A O no hydrogen 2.983 N/A LEU 70.A N GLU 66.A O no hydrogen 3.069 N/A ARG 71.A N ILE 67.A O no hydrogen 3.001 N/A ARG 71.A NH1 ARG 71.A O no hydrogen 3.155 N/A GLU 72.A N LEU 69.A O no hydrogen 3.083 N/A LEU 73.A N LEU 69.A O no hydrogen 2.923 N/A LYS 74.A N TYR 138.A OH no hydrogen 2.918 N/A ASN 77.A N HIS 75.A ND1 no hydrogen 3.084 N/A ASN 77.A ND2 GLN 131.A OE1 no hydrogen 3.001 N/A ASN 77.A ND2 VAL 166.A O no hydrogen 3.007 N/A VAL 78.A N HIS 75.A O no hydrogen 3.194 N/A ILE 79.A N ILE 168.A O no hydrogen 2.888 N/A GLN 82.A N LEU 96.A O no hydrogen 2.779 N/A GLN 82.A NE2 SER 80.A O no hydrogen 3.664 N/A LYS 83.A NZ GLU 17.A OE1 no hydrogen 2.908 N/A PHE 85.A N TRP 94.A O no hydrogen 2.760 N/A SER 87.A N LYS 92.A O no hydrogen 2.858 N/A SER 87.A OG ASP 90.A OD1 no hydrogen 2.515 N/A HIS 88.A ND1 LEU 86.A O no hydrogen 3.168 N/A LYS 92.A N SER 87.A O no hydrogen 3.258 N/A LYS 92.A N ASP 90.A OD1 no hydrogen 3.413 N/A LYS 92.A NZ ILE 54.A O no hydrogen 3.295 N/A LYS 92.A NZ GLY 56.A O no hydrogen 2.702 N/A TRP 94.A N PHE 85.A O no hydrogen 2.883 N/A LEU 95.A N LYS 52.A O no hydrogen 2.808 N/A LEU 96.A N LYS 83.A O no hydrogen 2.835 N/A PHE 97.A N ALA 50.A O no hydrogen 2.828 N/A HIS 102.A N VAL 156.A O no hydrogen 2.974 N/A LEU 104.A N ILE 154.A O no hydrogen 3.003 N/A HIS 106.A N ASP 103.A OD2 no hydrogen 2.994 N/A HIS 106.A ND1 ASP 103.A OD1 no hydrogen 2.809 N/A HIS 106.A ND1 ASP 103.A OD2 no hydrogen 3.204 N/A ILE 107.A N ASP 103.A O no hydrogen 2.933 N/A ILE 108.A N LEU 104.A O no hydrogen 2.853 N/A LYS 109.A N TRP 105.A O no hydrogen 2.918 N/A PHE 110.A N HIS 106.A O no hydrogen 2.902 N/A HIS 111.A N ILE 107.A O no hydrogen 3.168 N/A HIS 111.A NE2 TYR 337.A OH no hydrogen 2.685 N/A ARG 112.A N ILE 108.A O no hydrogen 2.829 N/A ARG 112.A NE GLU 219.A OE1 no hydrogen 3.186 N/A ARG 112.A NH2 GLU 219.A OE1 no hydrogen 3.279 N/A ALA 113.A N LYS 109.A O no hydrogen 2.935 N/A SER 114.A N PHE 110.A O no hydrogen 3.007 N/A LYS 115.A N HIS 111.A O no hydrogen 2.975 N/A ASN 117.A N ALA 113.A O no hydrogen 3.198 N/A LYS 118.A N ALA 116.A O no hydrogen 2.901 N/A VAL 125.A N PRO 121.A O no hydrogen 2.971 N/A LYS 126.A N ARG 122.A O no hydrogen 3.247 N/A LYS 126.A NZ TYR 318.A O no hydrogen 2.803 N/A LYS 126.A NZ PRO 323.A O no hydrogen 2.800 N/A SER 127.A N GLY 123.A O no hydrogen 3.167 N/A SER 127.A OG GLY 123.A O no hydrogen 2.829 N/A LEU 128.A N MET 124.A O no hydrogen 2.915 N/A LEU 129.A N VAL 125.A O no hydrogen 2.999 N/A TYR 130.A N LYS 126.A O no hydrogen 2.908 N/A GLN 131.A N SER 127.A O no hydrogen 3.164 N/A GLN 131.A NE2 THR 326.A O no hydrogen 3.138 N/A GLN 131.A NE2 SER 327.A O no hydrogen 2.871 N/A ILE 132.A N LEU 128.A O no hydrogen 2.902 N/A LEU 133.A N LEU 129.A O no hydrogen 2.990 N/A ASP 134.A N TYR 130.A O no hydrogen 2.935 N/A GLY 135.A N GLN 131.A O no hydrogen 3.028 N/A ILE 136.A N ILE 132.A O no hydrogen 2.985 N/A HIS 137.A N LEU 133.A O no hydrogen 2.761 N/A TYR 138.A N ASP 134.A O no hydrogen 3.116 N/A LEU 139.A N GLY 135.A O no hydrogen 3.117 N/A HIS 140.A N ILE 136.A O no hydrogen 2.847 N/A HIS 140.A NE2 ASP 204.A OD2 no hydrogen 2.764 N/A ALA 141.A N HIS 137.A O no hydrogen 2.808 N/A ASN 142.A N TYR 138.A O no hydrogen 3.245 N/A ASN 142.A ND2 TYR 138.A O no hydrogen 2.870 N/A TRP 143.A N HIS 140.A O no hydrogen 2.889 N/A VAL 144.A N LEU 139.A O no hydrogen 2.911 N/A HIS 146.A N ASP 204.A OD2 no hydrogen 2.922 N/A HIS 146.A NE2 ALA 169.A O no hydrogen 2.859 N/A ARG 147.A N ASP 204.A OD1 no hydrogen 3.051 N/A ARG 147.A NE GLY 172.A O no hydrogen 2.877 N/A ARG 147.A NH1 ASN 178.A OD1 no hydrogen 2.735 N/A ARG 147.A NH2 GLY 172.A O no hydrogen 2.840 N/A ASN 153.A N LYS 150.A O no hydrogen 2.990 N/A ILE 154.A N PRO 151.A O no hydrogen 3.065 N/A LEU 155.A N LYS 167.A O no hydrogen 2.903 N/A VAL 156.A N HIS 102.A O no hydrogen 2.792 N/A MET 157.A N ARG 165.A O no hydrogen 2.956 N/A ARG 163.A NE GLU 159.A OE1 no hydrogen 2.986 N/A ARG 163.A NH1 ASP 328.A OD2 no hydrogen 2.835 N/A ARG 163.A NH1 CYS 333.A O no hydrogen 3.067 N/A ARG 163.A NH2 GLU 159.A OE2 no hydrogen 3.157 N/A ARG 163.A NH2 CYS 333.A O no hydrogen 2.678 N/A GLY 164.A N MET 157.A O no hydrogen 2.913 N/A ARG 165.A N GLU 162.A O no hydrogen 2.960 N/A ARG 165.A NH1 GLU 162.A OE1 no hydrogen 2.700 N/A VAL 166.A N GLN 131.A OE1 no hydrogen 2.833 N/A LYS 167.A N LEU 155.A O no hydrogen 2.820 N/A LYS 167.A NZ PRO 76.A O no hydrogen 2.649 N/A LYS 167.A NZ GLU 162.A OE1 no hydrogen 2.683 N/A ILE 168.A N ASN 77.A O no hydrogen 2.905 N/A ALA 169.A N ASN 153.A O no hydrogen 2.893 N/A GLY 172.A N HIS 146.A O no hydrogen 2.665 N/A ARG 175.A NH1 ALA 174.A O no hydrogen 2.832 N/A ASN 178.A N ARG 175.A O no hydrogen 2.931 N/A ASN 178.A ND2 TYR 199.A O no hydrogen 3.224 N/A SER 179.A N LEU 176.A O no hydrogen 3.035 N/A SER 179.A OG ARG 197.A O no hydrogen 3.445 N/A LEU 181.A N SER 179.A OG no hydrogen 3.244 N/A TRP 186.A N THR 184.A OG1 no hydrogen 3.335 N/A TRP 186.A NE1 CYS 224.A O no hydrogen 2.853 N/A TYR 187.A OH GLU 214.A OE1 no hydrogen 2.511 N/A ARG 188.A N PHE 185.A O no hydrogen 3.302 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 2.768 N/A LEU 192.A N ALA 189.A O no hydrogen 3.006 N/A LEU 193.A N ALA 189.A O no hydrogen 3.453 N/A LEU 194.A N PRO 190.A O no hydrogen 2.903 N/A GLY 195.A N LEU 192.A O no hydrogen 3.112 N/A ALA 196.A N GLU 191.A O no hydrogen 2.839 N/A TYR 199.A N ASN 178.A O no hydrogen 3.124 N/A LYS 201.A NZ HIS 140.A O no hydrogen 3.088 N/A ILE 203.A N THR 200.A O no hydrogen 3.183 N/A ILE 203.A N THR 200.A OG1 no hydrogen 3.104 N/A ILE 205.A N LYS 201.A O no hydrogen 3.171 N/A TRP 206.A N ALA 202.A O no hydrogen 3.118 N/A ALA 207.A N ILE 203.A O no hydrogen 3.457 N/A ILE 208.A N ASP 204.A O no hydrogen 3.115 N/A GLY 209.A N ILE 205.A O no hydrogen 2.905 N/A CYS 210.A N TRP 206.A O no hydrogen 2.892 N/A CYS 210.A SG TRP 186.A O no hydrogen 3.852 N/A CYS 210.A SG TRP 206.A O no hydrogen 3.444 N/A ILE 211.A N ALA 207.A O no hydrogen 2.954 N/A PHE 212.A N ILE 208.A O no hydrogen 2.873 N/A ALA 213.A N GLY 209.A O no hydrogen 3.068 N/A GLU 214.A N CYS 210.A O no hydrogen 3.053 N/A LEU 215.A N ILE 211.A O no hydrogen 2.817 N/A LEU 216.A N PHE 212.A O no hydrogen 3.064 N/A THR 217.A N ALA 213.A O no hydrogen 3.006 N/A THR 217.A OG1 ALA 213.A O no hydrogen 2.993 N/A SER 218.A N GLU 214.A O no hydrogen 2.663 N/A GLU 219.A N THR 217.A OG1 no hydrogen 3.078 N/A HIS 223.A N PRO 220.A O no hydrogen 3.062 N/A CYS 224.A SG ARG 225.A O no hydrogen 3.720 N/A THR 227.A OG1 ASN 229.A OD1 no hydrogen 2.664 N/A TYR 231.A OH ASP 266.A OD2 no hydrogen 2.798 N/A HIS 233.A ND1 ASP 234.A OD1 no hydrogen 3.062 N/A GLN 235.A NE2 PHE 222.A O no hydrogen 2.846 N/A GLN 235.A NE2 GLN 235.A O no hydrogen 3.270 N/A LEU 236.A N HIS 232.A O no hydrogen 3.248 N/A ASP 237.A N HIS 233.A O no hydrogen 2.897 N/A ARG 238.A N ASP 234.A O no hydrogen 3.042 N/A ARG 238.A NE ILE 221.A O no hydrogen 3.070 N/A ARG 238.A NH2 ILE 221.A O no hydrogen 2.751 N/A ILE 239.A N GLN 235.A O no hydrogen 3.015 N/A PHE 240.A N LEU 236.A O no hydrogen 2.969 N/A ASN 241.A N ASP 237.A O no hydrogen 2.947 N/A VAL 242.A N ARG 238.A O no hydrogen 3.166 N/A VAL 242.A N ILE 239.A O no hydrogen 3.246 N/A MET 243.A N ILE 239.A O no hydrogen 2.723 N/A GLY 244.A N PHE 240.A O no hydrogen 2.738 N/A ALA 247.A N ASP 250.A OD2 no hydrogen 2.993 N/A ASP 250.A N ALA 247.A O no hydrogen 3.033 N/A TRP 251.A N ASP 248.A O no hydrogen 3.315 N/A ILE 254.A N TRP 251.A O no hydrogen 3.221 N/A LYS 256.A N ASP 253.A O no hydrogen 2.867 N/A LYS 256.A NZ ASP 253.A OD1 no hydrogen 3.556 N/A MET 257.A N ILE 254.A O no hydrogen 2.932 N/A GLU 259.A N LEU 194.A O no hydrogen 3.062 N/A HIS 260.A N MET 257.A O no hydrogen 3.063 N/A THR 262.A OG1 GLU 259.A OE1 no hydrogen 3.006 N/A LEU 263.A N GLU 259.A O no hydrogen 2.961 N/A MET 264.A N HIS 260.A O no hydrogen 2.983 N/A LYS 265.A N SER 261.A O no hydrogen 2.926 N/A ASP 266.A N THR 262.A O no hydrogen 2.890 N/A PHE 267.A N LEU 263.A O no hydrogen 2.853 N/A ARG 269.A NH1 PHE 245.A O no hydrogen 3.389 N/A ARG 269.A NH1 PRO 246.A O no hydrogen 3.276 N/A ARG 269.A NH2 PRO 246.A O no hydrogen 2.939 N/A THR 271.A N ARG 268.A O no hydrogen 3.056 N/A THR 271.A OG1 ARG 268.A O no hydrogen 3.177 N/A TYR 272.A N ARG 269.A O no hydrogen 3.129 N/A TYR 272.A OH ASP 237.A OD1 no hydrogen 2.718 N/A THR 273.A N ASN 270.A O no hydrogen 3.469 N/A THR 273.A OG1 ASN 270.A O no hydrogen 3.348 N/A CYS 275.A N TYR 272.A O no hydrogen 2.995 N/A CYS 275.A SG ASN 241.A O no hydrogen 3.457 N/A LYS 279.A N SER 276.A OG no hydrogen 3.177 N/A LYS 279.A NZ ASN 274.A O no hydrogen 3.309 N/A TYR 280.A N SER 276.A O no hydrogen 3.020 N/A MET 281.A N LEU 277.A O no hydrogen 2.844 N/A GLU 282.A N ILE 278.A O no hydrogen 3.027 N/A LYS 283.A N LYS 279.A O no hydrogen 3.299 N/A HIS 284.A ND1 TYR 280.A O no hydrogen 3.186 N/A LYS 285.A N GLU 282.A O no hydrogen 3.000 N/A VAL 286.A N MET 281.A O no hydrogen 3.124 N/A SER 290.A N LYS 287.A O no hydrogen 3.197 N/A SER 290.A OG LYS 287.A O no hydrogen 2.805 N/A PHE 293.A N SER 290.A OG no hydrogen 3.046 N/A HIS 294.A N SER 290.A O no hydrogen 3.235 N/A LEU 295.A N LYS 291.A O no hydrogen 3.142 N/A LEU 296.A N ALA 292.A O no hydrogen 2.985 N/A GLN 297.A N PHE 293.A O no hydrogen 2.891 N/A LYS 298.A N HIS 294.A O no hydrogen 3.160 N/A LEU 299.A N LEU 295.A O no hydrogen 3.021 N/A LEU 300.A N LEU 296.A O no hydrogen 2.919 N/A THR 301.A OG1 GLN 297.A O no hydrogen 3.175 N/A THR 301.A OG1 LYS 298.A O no hydrogen 3.012 N/A ILE 305.A N ASP 303.A OD1 no hydrogen 3.181 N/A LYS 306.A N ASP 303.A O no hydrogen 2.948 N/A ARG 307.A N PRO 304.A O no hydrogen 3.162 N/A ARG 307.A NE THR 301.A O no hydrogen 2.797 N/A ARG 307.A NH1 GLU 191.A OE2 no hydrogen 2.874 N/A ARG 307.A NH1 ALA 202.A O no hydrogen 2.879 N/A ARG 307.A NH2 GLU 191.A OE1 no hydrogen 3.063 N/A ARG 307.A NH2 THR 301.A O no hydrogen 3.025 N/A ARG 307.A NH2 MET 302.A O no hydrogen 2.867 N/A ILE 308.A N LYS 298.A O no hydrogen 3.448 N/A THR 309.A N GLN 312.A OE1 no hydrogen 3.021 N/A THR 309.A OG1 GLN 312.A OE1 no hydrogen 3.199 N/A SER 310.A OG GLU 311.A OE1 no hydrogen 3.434 N/A GLU 311.A N GLU 311.A OE1 no hydrogen 2.999 N/A GLN 312.A N THR 309.A OG1 no hydrogen 3.286 N/A ALA 313.A N THR 309.A O no hydrogen 3.025 N/A MET 314.A N SER 310.A O no hydrogen 3.034 N/A GLN 315.A N GLU 311.A O no hydrogen 3.309 N/A ASP 316.A N ALA 313.A O no hydrogen 3.032 N/A TYR 318.A N ASP 316.A OD2 no hydrogen 2.958 N/A PHE 319.A N ASP 316.A O no hydrogen 3.038 N/A LEU 320.A N PRO 317.A O no hydrogen 2.980 N/A GLU 321.A N PRO 317.A O no hydrogen 3.017 N/A THR 326.A N SER 127.A OG no hydrogen 2.848 N/A THR 326.A OG1 ASP 328.A O no hydrogen 2.548 N/A VAL 329.A N GLY 164.A O no hydrogen 2.852 N/A PHE 330.A N ASP 328.A OD1 no hydrogen 2.790 N/A ALA 331.A N ASP 328.A O no hydrogen 2.879 N/A GLY 332.A N ASP 328.A OD2 no hydrogen 3.272 N/A CYS 333.A N PHE 330.A O no hydrogen 2.954 N/A CYS 333.A SG PHE 330.A O no hydrogen 3.310 N/A CYS 333.A SG ALA 331.A O no hydrogen 3.853 N/A TYR 337.A OH HIS 111.A NE2 no hydrogen 2.685 N/A ARG 340.A N GLU 101.A OE2 no hydrogen 3.273 N/A ARG 340.A NE ASP 103.A OD1 no hydrogen 3.235 N/A ARG 340.A NH1 TYR 99.A OH no hydrogen 3.523 N/A ARG 340.A NH1 ALA 100.A O no hydrogen 2.640 N/A ARG 340.A NH2 ALA 100.A O no hydrogen 3.398 N/A ARG 340.A NH2 ASP 103.A OD1 no hydrogen 2.759 N/A LEU 343.A N LYS 29.A O no hydrogen 2.833 N/A