Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4caa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N ALA 2.A O no hydrogen 2.674 N/A ALA 7.A N ASN 3.A O no hydrogen 2.846 N/A PHE 8.A N VAL 4.A O no hydrogen 3.309 N/A SER 9.A N ASP 5.A O no hydrogen 3.051 N/A SER 9.A OG ASP 5.A O no hydrogen 2.899 N/A LEU 10.A N PHE 6.A O no hydrogen 3.054 N/A TYR 11.A N ALA 7.A O no hydrogen 3.118 N/A TYR 11.A OH GLU 238.A OE2 no hydrogen 2.717 N/A LYS 12.A N PHE 8.A O no hydrogen 3.352 N/A LYS 12.A NZ ALA 239.A O no hydrogen 3.130 N/A LYS 12.A NZ LEU 241.A O no hydrogen 2.860 N/A GLN 13.A N LEU 10.A O no hydrogen 3.024 N/A LEU 14.A N LEU 10.A O no hydrogen 2.976 N/A VAL 15.A N TYR 11.A O no hydrogen 3.070 N/A LEU 16.A N LYS 12.A O no hydrogen 3.200 N/A LYS 17.A N GLN 13.A O no hydrogen 2.893 N/A LYS 17.A NZ GLN 13.A OE1 no hydrogen 2.688 N/A ALA 18.A N VAL 15.A O no hydrogen 2.930 N/A LYS 21.A N ALA 18.A O no hydrogen 3.502 N/A ILE 24.A N TYR 272.A OH no hydrogen 3.413 N/A SER 26.A N HIS 309.A NE2 no hydrogen 3.361 N/A SER 29.A N SER 26.A OG no hydrogen 3.147 N/A SER 29.A OG ASN 159.A OD1 no hydrogen 2.438 N/A SER 29.A OG THR 326.A OG1 no hydrogen 3.403 N/A ILE 30.A N PRO 27.A O no hydrogen 2.624 N/A SER 31.A N PRO 27.A O no hydrogen 2.954 N/A SER 31.A OG PRO 27.A O no hydrogen 3.470 N/A THR 32.A N LEU 28.A O no hydrogen 3.107 N/A THR 32.A OG1 LEU 28.A O no hydrogen 2.872 N/A ALA 33.A N SER 29.A O no hydrogen 3.438 N/A LEU 34.A N ILE 30.A O no hydrogen 3.036 N/A ALA 35.A N SER 31.A O no hydrogen 2.828 N/A PHE 36.A N THR 32.A O no hydrogen 2.895 N/A LEU 37.A N ALA 33.A O no hydrogen 3.142 N/A SER 38.A N LEU 34.A O no hydrogen 3.125 N/A SER 38.A N ALA 35.A O no hydrogen 2.858 N/A LEU 39.A N PHE 36.A O no hydrogen 3.083 N/A GLY 40.A N LEU 37.A O no hydrogen 3.136 N/A HIS 42.A N ASP 292.A O no hydrogen 3.068 N/A ASN 43.A ND2 ASP 292.A OD2 no hydrogen 3.156 N/A LEU 46.A N HIS 42.A O no hydrogen 2.973 N/A THR 47.A N ASN 43.A O no hydrogen 3.211 N/A THR 47.A OG1 ASN 43.A O no hydrogen 3.076 N/A GLU 48.A N THR 44.A O no hydrogen 2.947 N/A ILE 49.A N THR 45.A O no hydrogen 3.259 N/A LEU 50.A N LEU 46.A O no hydrogen 3.081 N/A LYS 51.A N THR 47.A O no hydrogen 3.125 N/A GLY 52.A N GLU 48.A O no hydrogen 2.857 N/A LEU 53.A N ILE 49.A O no hydrogen 3.203 N/A LEU 53.A N LEU 50.A O no hydrogen 3.101 N/A LYS 54.A N LYS 51.A O no hydrogen 2.924 N/A LYS 54.A NZ SER 9.A OG no hydrogen 3.023 N/A PHE 55.A N LEU 50.A O no hydrogen 3.440 N/A THR 58.A N ASN 56.A OD1 no hydrogen 2.937 N/A THR 58.A OG1 ASN 56.A OD1 no hydrogen 2.676 N/A GLU 59.A N ASN 56.A O no hydrogen 3.046 N/A GLU 59.A N ASN 56.A OD1 no hydrogen 3.042 N/A THR 60.A N ASN 56.A O no hydrogen 2.993 N/A GLU 64.A N SER 61.A OG no hydrogen 3.215 N/A ILE 65.A N SER 61.A O no hydrogen 3.028 N/A HIS 66.A N GLU 62.A O no hydrogen 3.233 N/A HIS 66.A ND1 TYR 111.A OH no hydrogen 2.694 N/A GLN 67.A N ALA 63.A O no hydrogen 3.108 N/A SER 68.A N GLU 64.A O no hydrogen 3.137 N/A PHE 69.A N ILE 65.A O no hydrogen 3.441 N/A GLN 70.A N HIS 66.A O no hydrogen 3.240 N/A GLN 70.A NE2 ARG 109.A O no hydrogen 3.172 N/A HIS 71.A N GLN 67.A O no hydrogen 3.202 N/A LEU 72.A N SER 68.A O no hydrogen 2.856 N/A LEU 73.A N PHE 69.A O no hydrogen 2.820 N/A ARG 74.A N GLN 70.A O no hydrogen 2.965 N/A THR 75.A N HIS 71.A O no hydrogen 2.974 N/A THR 75.A OG1 HIS 71.A O no hydrogen 3.058 N/A THR 75.A OG1 LEU 72.A O no hydrogen 3.062 N/A LEU 76.A N LEU 72.A O no hydrogen 2.674 N/A ASN 77.A N LEU 73.A O no hydrogen 2.931 N/A ASN 77.A ND2 LEU 73.A O no hydrogen 2.767 N/A ASN 77.A ND2 MET 87.A O no hydrogen 3.041 N/A GLN 78.A N LEU 76.A O no hydrogen 2.700 N/A GLN 78.A NE2 THR 75.A O no hydrogen 2.838 N/A GLN 84.A N LYS 164.A O no hydrogen 2.677 N/A SER 86.A N PHE 162.A O no hydrogen 2.894 N/A MET 87.A N ASN 77.A OD1 no hydrogen 2.860 N/A GLY 88.A N TYR 160.A O no hydrogen 3.085 N/A ASN 89.A ND2 TYR 111.A O no hydrogen 2.824 N/A ALA 90.A N VAL 158.A O no hydrogen 2.895 N/A MET 91.A N GLU 114.A O no hydrogen 3.234 N/A PHE 92.A N VAL 156.A O no hydrogen 2.975 N/A LYS 94.A N MET 154.A O no hydrogen 2.873 N/A GLU 95.A N THR 118.A O no hydrogen 2.951 N/A LEU 100.A N ILE 296.A O no hydrogen 2.872 N/A ARG 102.A NH1 GLU 105.A OE1 no hydrogen 3.453 N/A THR 104.A N LEU 100.A O no hydrogen 3.157 N/A THR 104.A OG1 LEU 100.A O no hydrogen 3.233 N/A GLU 105.A N ASP 101.A O no hydrogen 2.809 N/A GLU 105.A N ARG 102.A O no hydrogen 3.108 N/A ASP 106.A N ARG 102.A O no hydrogen 2.801 N/A ALA 107.A N PHE 103.A O no hydrogen 2.968 N/A ARG 109.A N GLU 105.A O no hydrogen 2.801 N/A LEU 110.A N ASP 106.A O no hydrogen 2.714 N/A TYR 111.A N ALA 107.A O no hydrogen 3.140 N/A TYR 111.A OH HIS 66.A ND1 no hydrogen 2.694 N/A SER 113.A N ALA 107.A O no hydrogen 3.058 N/A SER 113.A OG GLU 114.A O no hydrogen 3.388 N/A PHE 116.A N MET 91.A O no hydrogen 3.183 N/A THR 118.A N VAL 93.A O no hydrogen 2.977 N/A THR 118.A OG1 PHE 116.A O no hydrogen 2.995 N/A GLN 121.A NE2 GLN 121.A O no hydrogen 3.070 N/A ASP 122.A N ASP 119.A O no hydrogen 2.956 N/A SER 123.A OG PHE 120.A O no hydrogen 3.256 N/A SER 123.A OG LEU 149.A O no hydrogen 2.927 N/A ALA 125.A N ASP 122.A OD1 no hydrogen 3.462 N/A ALA 126.A N ASP 122.A O no hydrogen 2.797 N/A LYS 127.A N SER 123.A O no hydrogen 2.982 N/A LYS 127.A NZ LYS 147.A O no hydrogen 2.937 N/A LYS 128.A N ALA 124.A O no hydrogen 3.324 N/A LEU 129.A N ALA 125.A O no hydrogen 2.960 N/A ILE 130.A N ALA 126.A O no hydrogen 3.239 N/A ASN 131.A N LYS 127.A O no hydrogen 2.843 N/A ASN 131.A ND2 LYS 127.A O no hydrogen 3.268 N/A ASN 131.A ND2 ILE 146.A O no hydrogen 3.185 N/A ASP 132.A N LYS 128.A O no hydrogen 2.911 N/A TYR 133.A N LEU 129.A O no hydrogen 3.061 N/A TYR 133.A N ILE 130.A O no hydrogen 3.278 N/A VAL 134.A N ILE 130.A O no hydrogen 3.351 N/A LYS 135.A N ASN 131.A O no hydrogen 2.938 N/A ASN 136.A N ASP 132.A O no hydrogen 2.977 N/A GLY 137.A N TYR 133.A O no hydrogen 3.044 N/A THR 138.A N VAL 134.A O no hydrogen 2.820 N/A THR 138.A OG1 VAL 134.A O no hydrogen 2.741 N/A THR 138.A OG1 LYS 135.A O no hydrogen 3.346 N/A ARG 139.A N ASN 136.A O no hydrogen 2.899 N/A ARG 139.A NH1 SER 86.A OG no hydrogen 3.331 N/A ARG 139.A NH1 GLY 137.A O no hydrogen 2.622 N/A GLY 140.A N LYS 135.A O no hydrogen 2.601 N/A LYS 141.A N THR 138.A O no hydrogen 3.357 N/A LYS 141.A NZ ASP 314.A OD2 no hydrogen 3.109 N/A ILE 142.A N THR 138.A OG1 no hydrogen 3.342 N/A LEU 145.A N ASN 131.A OD1 no hydrogen 2.625 N/A ILE 146.A N ASN 131.A OD1 no hydrogen 3.213 N/A LYS 147.A NZ ASP 148.A OD2 no hydrogen 3.098 N/A GLN 152.A N ASP 150.A OD1 no hydrogen 3.472 N/A THR 153.A OG1 ASP 150.A O no hydrogen 2.517 N/A MET 154.A N ILE 330.A O no hydrogen 3.063 N/A MET 155.A N ILE 330.A O no hydrogen 3.318 N/A VAL 156.A N PHE 92.A O no hydrogen 3.323 N/A LEU 157.A N VAL 328.A O no hydrogen 3.343 N/A VAL 158.A N ALA 90.A O no hydrogen 2.782 N/A ASN 159.A N THR 326.A O no hydrogen 2.850 N/A ASN 159.A ND2 ASN 89.A OD1 no hydrogen 2.779 N/A TYR 160.A N GLY 88.A O no hydrogen 3.204 N/A ILE 161.A N ALA 324.A O no hydrogen 2.933 N/A PHE 162.A N SER 86.A O no hydrogen 2.964 N/A PHE 163.A N ALA 322.A O no hydrogen 3.150 N/A LYS 164.A N GLN 84.A O no hydrogen 2.630 N/A LYS 164.A NZ GLU 321.A OE2 no hydrogen 3.281 N/A TRP 167.A NE1 PHE 316.A O no hydrogen 3.168 N/A PHE 171.A N GLU 317.A O no hydrogen 3.208 N/A ASP 175.A N ASP 172.A O no hydrogen 2.688 N/A THR 176.A N PRO 173.A O no hydrogen 3.248 N/A THR 176.A OG1 GLU 317.A OE2 no hydrogen 2.475 N/A HIS 177.A N MET 193.A O no hydrogen 3.043 N/A SER 179.A N VAL 191.A O no hydrogen 2.838 N/A SER 179.A OG HIS 177.A O no hydrogen 3.212 N/A SER 179.A OG VAL 191.A O no hydrogen 3.408 N/A ARG 180.A NH1 TYR 182.A OH no hydrogen 2.685 N/A PHE 181.A N VAL 189.A O no hydrogen 2.813 N/A SER 184.A N LYS 187.A O no hydrogen 3.082 N/A LYS 185.A NZ ASP 232.A OD2 no hydrogen 2.598 N/A LYS 187.A N SER 184.A O no hydrogen 2.966 N/A VAL 189.A N PHE 181.A O no hydrogen 2.893 N/A VAL 191.A N SER 179.A O no hydrogen 2.715 N/A MET 193.A N HIS 177.A O no hydrogen 2.733 N/A MET 194.A N LEU 263.A O no hydrogen 2.726 N/A SER 195.A OG ASP 175.A O no hydrogen 3.457 N/A HIS 198.A N GLY 259.A O no hydrogen 3.028 N/A LEU 199.A N ILE 258.A O no hydrogen 2.970 N/A ILE 201.A N ARG 256.A O no hydrogen 3.003 N/A TYR 203.A N GLU 254.A O no hydrogen 2.758 N/A PHE 204.A N VAL 213.A O no hydrogen 3.103 N/A ARG 205.A NH2 ASP 230.A OD1 no hydrogen 3.497 N/A ARG 205.A NH2 ASP 230.A OD2 no hydrogen 2.814 N/A ASP 206.A N CYS 211.A O no hydrogen 2.850 N/A LEU 209.A N ASP 206.A OD1 no hydrogen 3.197 N/A SER 210.A N GLU 207.A O no hydrogen 3.157 N/A SER 210.A OG GLU 207.A O no hydrogen 3.334 N/A CYS 211.A N ASP 206.A O no hydrogen 3.074 N/A CYS 211.A SG ASP 206.A OD2 no hydrogen 3.801 N/A THR 212.A N LEU 228.A O no hydrogen 3.422 N/A VAL 213.A N PHE 204.A O no hydrogen 2.732 N/A VAL 214.A N PHE 226.A O no hydrogen 3.120 N/A GLU 215.A N PRO 202.A O no hydrogen 3.220 N/A LEU 216.A N ALA 224.A O no hydrogen 3.178 N/A TYR 218.A N ALA 222.A O no hydrogen 3.127 N/A THR 219.A N LYS 166.A O no hydrogen 2.878 N/A THR 219.A OG1 GLU 82.A O no hydrogen 2.855 N/A ALA 222.A N GLY 220.A O no hydrogen 2.846 N/A SER 223.A OG GLU 215.A OE2 no hydrogen 3.138 N/A ALA 224.A N LEU 216.A O no hydrogen 3.006 N/A PHE 226.A N VAL 214.A O no hydrogen 3.090 N/A LEU 228.A N THR 212.A O no hydrogen 3.097 N/A ASP 230.A N SER 210.A O no hydrogen 3.083 N/A LYS 233.A N ASP 230.A O no hydrogen 2.842 N/A LYS 233.A NZ GLU 236.A OE2 no hydrogen 2.770 N/A VAL 237.A N LYS 233.A O no hydrogen 3.050 N/A GLU 238.A N MET 234.A O no hydrogen 2.797 N/A ALA 239.A N GLU 235.A O no hydrogen 3.214 N/A ALA 239.A N GLU 236.A O no hydrogen 3.080 N/A MET 240.A N VAL 237.A O no hydrogen 3.028 N/A LEU 241.A N GLU 238.A O no hydrogen 3.470 N/A THR 245.A N LEU 242.A O no hydrogen 2.657 N/A THR 245.A OG1 MET 240.A O no hydrogen 2.531 N/A LEU 246.A N LEU 242.A O no hydrogen 3.273 N/A LYS 247.A N PRO 243.A O no hydrogen 3.439 N/A ARG 248.A N GLU 244.A O no hydrogen 3.062 N/A ARG 248.A NH2 ASP 206.A OD2 no hydrogen 3.308 N/A TRP 249.A N THR 245.A O no hydrogen 2.872 N/A TRP 249.A NE1 ASP 206.A OD2 no hydrogen 2.878 N/A ARG 250.A N LEU 246.A O no hydrogen 2.941 N/A ASP 251.A N LYS 247.A O no hydrogen 2.824 N/A SER 252.A N TRP 249.A O no hydrogen 2.942 N/A SER 252.A OG ARG 248.A O no hydrogen 2.811 N/A GLU 254.A N TYR 203.A O no hydrogen 3.107 N/A ARG 256.A N ILE 201.A O no hydrogen 2.961 N/A ILE 258.A N LEU 199.A O no hydrogen 2.678 N/A LEU 261.A N LEU 196.A O no hydrogen 2.853 N/A TYR 262.A OH GLU 260.A OE2 no hydrogen 2.724 N/A LEU 263.A N MET 194.A O no hydrogen 3.125 N/A LYS 265.A N PRO 192.A O no hydrogen 3.031 N/A LYS 265.A NZ GLU 317.A OE1 no hydrogen 3.268 N/A LYS 265.A NZ GLU 317.A OE2 no hydrogen 2.888 N/A PHE 266.A N VAL 315.A O no hydrogen 2.981 N/A SER 267.A OG LEU 313.A O no hydrogen 3.263 N/A SER 267.A OG ASP 314.A OD1 no hydrogen 2.606 N/A ILE 268.A N LEU 313.A O no hydrogen 2.997 N/A ARG 270.A N ALA 311.A O no hydrogen 3.170 N/A ARG 270.A NH1 SER 269.A O no hydrogen 3.133 N/A TYR 272.A N HIS 309.A O no hydrogen 2.706 N/A TYR 272.A OH ILE 24.A O no hydrogen 3.428 N/A LEU 274.A N VAL 307.A O no hydrogen 2.811 N/A ASN 275.A N ASN 273.A OD1 no hydrogen 3.243 N/A ASN 275.A ND2 SER 305.A O no hydrogen 3.244 N/A LEU 278.A N LEU 274.A O no hydrogen 2.711 N/A LEU 279.A N ASN 275.A O no hydrogen 2.861 N/A GLN 280.A N ASP 276.A O no hydrogen 2.995 N/A GLN 280.A N ILE 277.A O no hydrogen 2.887 N/A LEU 281.A N ILE 277.A O no hydrogen 2.972 N/A LEU 281.A N LEU 278.A O no hydrogen 3.177 N/A ILE 283.A N LEU 278.A O no hydrogen 2.936 N/A GLU 284.A N GLU 48.A OE1 no hydrogen 2.970 N/A GLU 284.A N GLY 282.A O no hydrogen 3.117 N/A GLU 285.A N GLU 48.A OE1 no hydrogen 2.833 N/A PHE 287.A N GLU 284.A O no hydrogen 3.088 N/A THR 288.A N GLU 285.A O no hydrogen 3.108 N/A THR 288.A OG1 GLU 285.A O no hydrogen 3.175 N/A ALA 291.A N THR 288.A O no hydrogen 3.126 N/A ASP 292.A N THR 45.A OG1 no hydrogen 2.667 N/A SER 294.A N ASP 292.A OD1 no hydrogen 3.167 N/A SER 294.A OG HIS 42.A ND1 no hydrogen 2.844 N/A SER 294.A OG ASP 292.A OD1 no hydrogen 2.560 N/A GLY 295.A N GLY 40.A O no hydrogen 2.880 N/A ILE 296.A N LEU 293.A O no hydrogen 3.010 N/A THR 297.A OG1 ALA 299.A O no hydrogen 2.859 N/A THR 297.A OG1 ASN 301.A OD1 no hydrogen 2.937 N/A GLY 298.A N SER 294.A O no hydrogen 2.889 N/A ALA 303.A N THR 331.A O no hydrogen 2.976 N/A VAL 304.A N ALA 286.A O no hydrogen 2.864 N/A SER 305.A N LYS 329.A O no hydrogen 2.985 N/A VAL 307.A N ASN 275.A OD1 no hydrogen 2.947 N/A VAL 308.A N ALA 327.A O no hydrogen 3.306 N/A HIS 309.A N TYR 272.A O no hydrogen 3.003 N/A HIS 309.A ND1 THR 326.A OG1 no hydrogen 2.540 N/A LYS 310.A N ALA 325.A O no hydrogen 3.201 N/A LYS 310.A NZ SER 269.A OG no hydrogen 2.921 N/A ALA 311.A N ARG 270.A O no hydrogen 3.043 N/A VAL 312.A N SER 323.A O no hydrogen 2.782 N/A LEU 313.A N ILE 268.A O no hydrogen 2.961 N/A ASP 314.A N GLU 321.A O no hydrogen 2.819 N/A VAL 315.A N PHE 266.A O no hydrogen 2.729 N/A PHE 316.A N GLY 319.A O no hydrogen 3.276 N/A GLU 317.A N GLU 317.A OE1 no hydrogen 3.166 N/A GLY 319.A N PHE 316.A O no hydrogen 2.704 N/A ARG 320.A N GLU 318.A O no hydrogen 2.656 N/A ARG 320.A NE GLU 321.A OE2 no hydrogen 2.930 N/A ARG 320.A NH2 GLU 321.A OE2 no hydrogen 2.911 N/A ALA 322.A N PHE 163.A O no hydrogen 3.272 N/A SER 323.A N VAL 312.A O no hydrogen 2.943 N/A ALA 324.A N ILE 161.A O no hydrogen 3.187 N/A ALA 325.A N LYS 310.A O no hydrogen 2.909 N/A THR 326.A N ASN 159.A O no hydrogen 2.922 N/A THR 326.A OG1 SER 29.A OG no hydrogen 3.403 N/A THR 326.A OG1 HIS 309.A ND1 no hydrogen 2.540 N/A ALA 327.A N VAL 308.A O no hydrogen 3.389 N/A VAL 328.A N LEU 157.A O no hydrogen 2.797 N/A LYS 329.A N GLN 306.A O no hydrogen 3.054 N/A LYS 329.A NZ ASP 148.A O no hydrogen 2.990 N/A LYS 329.A NZ GLN 306.A OE1 no hydrogen 3.313 N/A ILE 330.A N MET 155.A O no hydrogen 2.846 N/A THR 331.A N ALA 303.A O no hydrogen 3.030 N/A THR 331.A OG1 LEU 332.A O no hydrogen 3.399 N/A LEU 333.A N ASN 301.A O no hydrogen 2.985 N/A LEU 253A.A N TRP 249.A O no hydrogen 3.206 N/A