Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3caa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N ALA 1.A O no hydrogen 3.215 N/A ASP 6.A N SER 2.A O no hydrogen 3.298 N/A PHE 7.A N ALA 3.A O no hydrogen 2.683 N/A ALA 8.A N ASN 4.A O no hydrogen 2.725 N/A PHE 9.A N VAL 5.A O no hydrogen 3.333 N/A SER 10.A N ASP 6.A O no hydrogen 3.098 N/A SER 10.A OG ASP 6.A O no hydrogen 3.166 N/A LEU 11.A N PHE 7.A O no hydrogen 3.041 N/A TYR 12.A N ALA 8.A O no hydrogen 2.854 N/A TYR 12.A OH GLU 239.A OE2 no hydrogen 2.725 N/A LYS 13.A N PHE 9.A O no hydrogen 3.164 N/A LYS 13.A NZ LEU 242.A O no hydrogen 2.544 N/A GLN 14.A N SER 10.A O no hydrogen 3.417 N/A LEU 15.A N LEU 11.A O no hydrogen 3.088 N/A VAL 16.A N TYR 12.A O no hydrogen 3.233 N/A LEU 17.A N LYS 13.A O no hydrogen 3.149 N/A LYS 18.A N GLN 14.A O no hydrogen 3.451 N/A LYS 18.A NZ ASP 277.A OD2 no hydrogen 3.022 N/A LYS 22.A N ALA 19.A O no hydrogen 3.438 N/A ILE 25.A N TYR 273.A OH no hydrogen 3.367 N/A SER 27.A N HIS 310.A NE2 no hydrogen 3.252 N/A SER 30.A N SER 27.A OG no hydrogen 3.026 N/A SER 30.A OG ASN 160.A OD1 no hydrogen 2.815 N/A SER 30.A OG THR 327.A OG1 no hydrogen 2.780 N/A ILE 31.A N SER 27.A O no hydrogen 3.292 N/A SER 32.A N PRO 28.A O no hydrogen 2.701 N/A SER 32.A OG PRO 28.A O no hydrogen 2.925 N/A THR 33.A N LEU 29.A O no hydrogen 2.941 N/A THR 33.A OG1 LEU 29.A O no hydrogen 2.972 N/A ALA 34.A N SER 30.A O no hydrogen 3.099 N/A LEU 35.A N ILE 31.A O no hydrogen 2.956 N/A ALA 36.A N SER 32.A O no hydrogen 2.807 N/A PHE 37.A N THR 33.A O no hydrogen 2.952 N/A LEU 38.A N ALA 34.A O no hydrogen 3.147 N/A SER 39.A N LEU 35.A O no hydrogen 2.923 N/A SER 39.A OG LEU 35.A O no hydrogen 3.236 N/A LEU 40.A N PHE 37.A O no hydrogen 2.913 N/A HIS 43.A N ASP 293.A O no hydrogen 2.778 N/A HIS 43.A ND1 SER 295.A OG no hydrogen 2.691 N/A THR 46.A OG1 GLU 286.A OE2 no hydrogen 3.348 N/A LEU 47.A N HIS 43.A O no hydrogen 3.223 N/A THR 48.A N ASN 44.A O no hydrogen 2.918 N/A GLU 49.A N THR 45.A O no hydrogen 2.968 N/A GLU 49.A N THR 46.A O no hydrogen 3.004 N/A ILE 50.A N THR 46.A O no hydrogen 3.358 N/A LEU 51.A N LEU 47.A O no hydrogen 3.487 N/A LYS 52.A N THR 48.A O no hydrogen 3.280 N/A LEU 54.A N ILE 50.A O no hydrogen 2.822 N/A LYS 55.A N LYS 52.A O no hydrogen 3.252 N/A LYS 55.A NZ SER 10.A OG no hydrogen 3.344 N/A PHE 56.A N LEU 51.A O no hydrogen 3.107 N/A THR 59.A N ASN 57.A OD1 no hydrogen 3.320 N/A THR 59.A OG1 ASN 57.A OD1 no hydrogen 2.860 N/A GLU 60.A N ASN 57.A O no hydrogen 3.106 N/A THR 61.A N ASN 57.A O no hydrogen 3.309 N/A THR 61.A OG1 GLU 65.A OE2 no hydrogen 2.901 N/A GLU 65.A N SER 62.A OG no hydrogen 3.315 N/A ILE 66.A N SER 62.A O no hydrogen 3.312 N/A HIS 67.A N GLU 63.A O no hydrogen 3.015 N/A GLN 68.A N ALA 64.A O no hydrogen 3.294 N/A SER 69.A N GLU 65.A O no hydrogen 2.875 N/A SER 69.A OG GLU 65.A O no hydrogen 2.992 N/A PHE 70.A N ILE 66.A O no hydrogen 3.189 N/A GLN 71.A N HIS 67.A O no hydrogen 2.973 N/A GLN 71.A NE2 ARG 110.A O no hydrogen 3.494 N/A HIS 72.A N GLN 68.A O no hydrogen 2.693 N/A LEU 73.A N SER 69.A O no hydrogen 3.177 N/A LEU 74.A N PHE 70.A O no hydrogen 3.069 N/A ARG 75.A N HIS 72.A O no hydrogen 3.085 N/A THR 76.A N LEU 73.A O no hydrogen 2.836 N/A THR 76.A OG1 LEU 73.A O no hydrogen 2.683 N/A ASN 78.A N ARG 75.A O no hydrogen 3.411 N/A GLN 79.A NE2 LEU 86.A O no hydrogen 3.136 N/A SER 81.A OG GLN 79.A OE1 no hydrogen 2.751 N/A GLN 85.A N LYS 165.A O no hydrogen 3.005 N/A SER 87.A N PHE 163.A O no hydrogen 3.359 N/A GLY 89.A N TYR 161.A O no hydrogen 3.107 N/A ASN 90.A ND2 TYR 112.A O no hydrogen 2.726 N/A ALA 91.A N VAL 159.A O no hydrogen 2.927 N/A MET 92.A N GLU 115.A O no hydrogen 3.247 N/A PHE 93.A N VAL 157.A O no hydrogen 2.962 N/A LYS 95.A N MET 155.A O no hydrogen 2.975 N/A GLU 96.A N THR 119.A O no hydrogen 3.078 N/A LEU 101.A N ILE 297.A O no hydrogen 2.989 N/A ARG 103.A NE ASP 107.A OD2 no hydrogen 3.240 N/A PHE 104.A N LEU 101.A O no hydrogen 2.668 N/A THR 105.A N LEU 101.A O no hydrogen 2.971 N/A THR 105.A OG1 LEU 101.A O no hydrogen 3.393 N/A GLU 106.A N ASP 102.A O no hydrogen 2.852 N/A ASP 107.A N ARG 103.A O no hydrogen 3.244 N/A ALA 108.A N PHE 104.A O no hydrogen 3.107 N/A LYS 109.A N THR 105.A O no hydrogen 3.194 N/A ARG 110.A N GLU 106.A O no hydrogen 3.000 N/A ARG 110.A NH1 ASP 107.A OD1 no hydrogen 3.061 N/A LEU 111.A N ASP 107.A O no hydrogen 2.749 N/A TYR 112.A N ALA 108.A O no hydrogen 2.949 N/A TYR 112.A OH HIS 67.A ND1 no hydrogen 3.067 N/A SER 114.A N ALA 108.A O no hydrogen 3.186 N/A SER 114.A OG GLU 115.A O no hydrogen 3.470 N/A PHE 117.A N MET 92.A O no hydrogen 2.993 N/A THR 119.A N VAL 94.A O no hydrogen 3.187 N/A THR 119.A OG1 VAL 94.A O no hydrogen 3.285 N/A THR 119.A OG1 PHE 117.A O no hydrogen 3.355 N/A ASP 123.A N ASP 120.A O no hydrogen 2.996 N/A SER 124.A OG PHE 121.A O no hydrogen 3.283 N/A SER 124.A OG LEU 150.A O no hydrogen 3.182 N/A ALA 125.A N ASP 123.A OD1 no hydrogen 3.320 N/A ALA 127.A N ASP 123.A O no hydrogen 3.151 N/A LYS 129.A N ALA 125.A O no hydrogen 3.445 N/A LEU 130.A N ALA 126.A O no hydrogen 2.803 N/A ILE 131.A N ALA 127.A O no hydrogen 3.227 N/A ASN 132.A N LYS 128.A O no hydrogen 3.019 N/A ASN 132.A ND2 ILE 147.A O no hydrogen 3.312 N/A ASP 133.A N LYS 129.A O no hydrogen 2.557 N/A TYR 134.A N LEU 130.A O no hydrogen 2.810 N/A VAL 135.A N ILE 131.A O no hydrogen 3.141 N/A LYS 136.A N ASN 132.A O no hydrogen 3.155 N/A ASN 137.A N ASP 133.A O no hydrogen 3.082 N/A GLY 138.A N TYR 134.A O no hydrogen 3.177 N/A THR 139.A N VAL 135.A O no hydrogen 2.884 N/A THR 139.A OG1 VAL 135.A O no hydrogen 2.565 N/A THR 139.A OG1 LYS 136.A O no hydrogen 3.536 N/A ARG 140.A N ASN 137.A O no hydrogen 2.799 N/A ARG 140.A NH1 GLN 85.A OE1 no hydrogen 3.255 N/A ARG 140.A NH2 GLN 85.A OE1 no hydrogen 3.013 N/A GLY 141.A N LYS 136.A O no hydrogen 2.665 N/A LYS 142.A N THR 139.A O no hydrogen 3.199 N/A LYS 142.A NZ ASP 315.A OD1 no hydrogen 3.047 N/A LYS 142.A NZ GLU 322.A OE1 no hydrogen 3.051 N/A ILE 143.A N THR 139.A OG1 no hydrogen 3.341 N/A ILE 147.A N ASN 132.A OD1 no hydrogen 2.944 N/A LYS 148.A NZ ASP 145.A O no hydrogen 3.024 N/A LYS 148.A NZ ASP 272.A OD2 no hydrogen 3.446 N/A THR 154.A OG1 ASP 151.A O no hydrogen 2.511 N/A THR 154.A OG1 ASP 151.A OD1 no hydrogen 2.811 N/A MET 155.A N ILE 331.A O no hydrogen 2.643 N/A MET 156.A N ILE 331.A O no hydrogen 3.099 N/A VAL 157.A N PHE 93.A O no hydrogen 3.147 N/A LEU 158.A N VAL 329.A O no hydrogen 3.026 N/A VAL 159.A N ALA 91.A O no hydrogen 2.975 N/A ASN 160.A N THR 327.A O no hydrogen 2.929 N/A ASN 160.A ND2 ASN 90.A OD1 no hydrogen 2.757 N/A TYR 161.A N GLY 89.A O no hydrogen 2.935 N/A ILE 162.A N ALA 325.A O no hydrogen 3.088 N/A PHE 163.A N SER 87.A O no hydrogen 2.920 N/A PHE 164.A N ARG 323.A O no hydrogen 3.007 N/A LYS 165.A N GLN 85.A O no hydrogen 3.027 N/A ALA 166.A N THR 321.A O no hydrogen 2.886 N/A LYS 167.A NZ GLU 319.A O no hydrogen 2.916 N/A TRP 168.A N GLU 319.A O no hydrogen 3.011 N/A TRP 168.A NE1 PHE 317.A O no hydrogen 3.266 N/A GLU 169.A N LYS 218.A O no hydrogen 3.153 N/A PHE 172.A N GLU 318.A O no hydrogen 2.875 N/A GLN 175.A N ASP 173.A OD1 no hydrogen 3.224 N/A ASP 176.A N ASP 173.A O no hydrogen 2.873 N/A THR 177.A N PRO 174.A O no hydrogen 3.299 N/A THR 177.A OG1 PRO 174.A O no hydrogen 3.504 N/A THR 177.A OG1 GLU 318.A OE1 no hydrogen 2.791 N/A HIS 178.A N MET 194.A O no hydrogen 3.202 N/A SER 180.A N VAL 192.A O no hydrogen 2.915 N/A SER 180.A OG HIS 178.A O no hydrogen 2.864 N/A ARG 181.A NH1 TYR 183.A OH no hydrogen 3.506 N/A PHE 182.A N VAL 190.A O no hydrogen 2.976 N/A SER 185.A N LYS 188.A O no hydrogen 3.307 N/A LYS 188.A N SER 185.A O no hydrogen 3.136 N/A VAL 190.A N PHE 182.A O no hydrogen 2.940 N/A VAL 192.A N SER 180.A O no hydrogen 2.877 N/A MET 194.A N HIS 178.A O no hydrogen 3.083 N/A MET 195.A N LEU 264.A O no hydrogen 2.953 N/A SER 196.A OG ASP 176.A O no hydrogen 3.219 N/A SER 196.A OG HIS 198.A NE2 no hydrogen 2.929 N/A LEU 197.A N LEU 262.A O no hydrogen 2.940 N/A HIS 199.A N GLY 260.A O no hydrogen 2.877 N/A LEU 200.A N ILE 259.A O no hydrogen 3.111 N/A ILE 202.A N ARG 257.A O no hydrogen 3.027 N/A TYR 204.A N GLU 255.A O no hydrogen 2.798 N/A PHE 205.A N VAL 214.A O no hydrogen 3.030 N/A ARG 206.A NE GLU 208.A OE2 no hydrogen 3.094 N/A ARG 206.A NH1 THR 213.A OG1 no hydrogen 3.116 N/A ARG 206.A NH1 ASP 231.A OD1 no hydrogen 3.015 N/A ARG 206.A NH2 GLU 208.A OE1 no hydrogen 3.456 N/A ARG 206.A NH2 ASP 231.A OD1 no hydrogen 3.485 N/A ARG 206.A NH2 ASP 231.A OD2 no hydrogen 3.022 N/A ASP 207.A N CYS 212.A O no hydrogen 2.962 N/A GLU 209.A N ASP 207.A OD1 no hydrogen 3.229 N/A SER 211.A N GLU 208.A O no hydrogen 3.222 N/A CYS 212.A N ASP 207.A O no hydrogen 3.273 N/A THR 213.A N LEU 229.A O no hydrogen 2.844 N/A VAL 214.A N PHE 205.A O no hydrogen 2.825 N/A VAL 215.A N PHE 227.A O no hydrogen 2.965 N/A GLU 216.A N PRO 203.A O no hydrogen 3.232 N/A LEU 217.A N ALA 225.A O no hydrogen 2.980 N/A TYR 219.A N ALA 223.A O no hydrogen 3.272 N/A TYR 219.A OH THR 321.A OG1 no hydrogen 2.834 N/A THR 220.A N LYS 167.A O no hydrogen 2.986 N/A THR 220.A OG1 ASP 82.A O no hydrogen 3.550 N/A SER 224.A OG GLU 216.A OE2 no hydrogen 2.461 N/A ALA 225.A N LEU 217.A O no hydrogen 2.890 N/A PHE 227.A N VAL 215.A O no hydrogen 2.981 N/A LEU 229.A N THR 213.A O no hydrogen 2.854 N/A ASP 231.A N SER 211.A O no hydrogen 2.821 N/A ASP 233.A N GLN 232.A OE1 no hydrogen 2.903 N/A LYS 234.A N ASP 231.A O no hydrogen 3.051 N/A VAL 238.A N LYS 234.A O no hydrogen 3.040 N/A GLU 239.A N MET 235.A O no hydrogen 2.940 N/A ALA 240.A N GLU 236.A O no hydrogen 3.041 N/A MET 241.A N VAL 238.A O no hydrogen 2.884 N/A LEU 242.A N GLU 239.A O no hydrogen 3.244 N/A THR 246.A OG1 MET 241.A O no hydrogen 2.742 N/A LEU 247.A N LEU 243.A O no hydrogen 3.095 N/A LYS 248.A N PRO 244.A O no hydrogen 2.991 N/A LYS 248.A NZ ASP 252.A OD2 no hydrogen 3.479 N/A ARG 249.A N GLU 245.A O no hydrogen 2.847 N/A ARG 249.A NH1 ASP 207.A OD1 no hydrogen 2.726 N/A ARG 249.A NH1 ASP 207.A OD2 no hydrogen 2.940 N/A ARG 249.A NH2 ASP 207.A OD2 no hydrogen 3.317 N/A TRP 250.A N THR 246.A O no hydrogen 3.169 N/A TRP 250.A NE1 ASP 207.A OD2 no hydrogen 2.967 N/A ARG 251.A N LEU 247.A O no hydrogen 3.139 N/A ASP 252.A N LYS 248.A O no hydrogen 3.065 N/A SER 253.A N ARG 249.A O no hydrogen 3.066 N/A SER 253.A N TRP 250.A O no hydrogen 3.005 N/A SER 253.A OG ARG 249.A O no hydrogen 2.701 N/A GLU 255.A N TYR 204.A O no hydrogen 2.992 N/A ARG 257.A N ILE 202.A O no hydrogen 3.100 N/A ILE 259.A N LEU 200.A O no hydrogen 2.839 N/A LEU 262.A N LEU 197.A O no hydrogen 2.960 N/A TYR 263.A OH GLU 261.A OE1 no hydrogen 3.084 N/A LEU 264.A N MET 195.A O no hydrogen 2.926 N/A LYS 266.A N PRO 193.A O no hydrogen 3.059 N/A PHE 267.A N VAL 316.A O no hydrogen 2.833 N/A SER 268.A OG ASP 315.A OD1 no hydrogen 3.466 N/A SER 268.A OG ASP 315.A OD2 no hydrogen 3.237 N/A ILE 269.A N LEU 314.A O no hydrogen 3.011 N/A ARG 271.A N ALA 312.A O no hydrogen 3.138 N/A ARG 271.A NE ASN 23.A O no hydrogen 2.940 N/A TYR 273.A N HIS 310.A O no hydrogen 2.854 N/A LEU 275.A N VAL 308.A O no hydrogen 2.948 N/A ASN 276.A N ASN 274.A OD1 no hydrogen 3.182 N/A ASN 276.A ND2 SER 306.A O no hydrogen 3.450 N/A LEU 279.A N LEU 275.A O no hydrogen 3.014 N/A LEU 280.A N ASN 276.A O no hydrogen 3.141 N/A GLN 281.A N ASP 277.A O no hydrogen 3.003 N/A LEU 282.A N ILE 278.A O no hydrogen 3.075 N/A LEU 282.A N LEU 279.A O no hydrogen 2.716 N/A GLY 283.A N LEU 280.A O no hydrogen 2.935 N/A ILE 284.A N LEU 279.A O no hydrogen 3.017 N/A GLU 285.A N GLU 49.A OE1 no hydrogen 3.285 N/A GLU 286.A N GLU 49.A OE1 no hydrogen 2.965 N/A PHE 288.A N GLU 285.A O no hydrogen 2.973 N/A THR 289.A OG1 GLU 286.A O no hydrogen 3.525 N/A LYS 291.A N THR 289.A OG1 no hydrogen 2.950 N/A ASP 293.A N THR 46.A OG1 no hydrogen 2.751 N/A SER 295.A N ASP 293.A OD1 no hydrogen 2.996 N/A SER 295.A OG HIS 43.A ND1 no hydrogen 2.691 N/A SER 295.A OG ASP 293.A OD1 no hydrogen 2.568 N/A GLY 296.A N GLY 41.A O no hydrogen 2.885 N/A THR 298.A OG1 ASN 302.A OD1 no hydrogen 3.541 N/A ALA 304.A N THR 332.A O no hydrogen 2.912 N/A VAL 305.A N ALA 287.A O no hydrogen 2.647 N/A SER 306.A N LYS 330.A O no hydrogen 2.660 N/A GLN 307.A N LYS 330.A O no hydrogen 3.434 N/A VAL 308.A N ASN 276.A OD1 no hydrogen 3.253 N/A VAL 309.A N ALA 328.A O no hydrogen 2.923 N/A HIS 310.A N TYR 273.A O no hydrogen 3.131 N/A HIS 310.A ND1 THR 327.A OG1 no hydrogen 2.831 N/A LYS 311.A N ALA 326.A O no hydrogen 3.066 N/A ALA 312.A N ARG 271.A O no hydrogen 3.033 N/A VAL 313.A N SER 324.A O no hydrogen 2.820 N/A LEU 314.A N ILE 269.A O no hydrogen 2.893 N/A ASP 315.A N GLU 322.A O no hydrogen 2.814 N/A VAL 316.A N PHE 267.A O no hydrogen 2.766 N/A GLU 319.A N GLU 319.A OE1 no hydrogen 2.728 N/A THR 321.A N ALA 166.A O no hydrogen 2.935 N/A THR 321.A OG1 TYR 219.A OH no hydrogen 2.834 N/A GLU 322.A N ASP 315.A O no hydrogen 3.227 N/A ARG 323.A N PHE 164.A O no hydrogen 3.044 N/A SER 324.A N VAL 313.A O no hydrogen 3.141 N/A ALA 325.A N ILE 162.A O no hydrogen 3.327 N/A ALA 326.A N LYS 311.A O no hydrogen 2.952 N/A THR 327.A N ASN 160.A O no hydrogen 3.055 N/A THR 327.A OG1 SER 30.A OG no hydrogen 2.780 N/A THR 327.A OG1 HIS 310.A ND1 no hydrogen 2.831 N/A ALA 328.A N VAL 309.A O no hydrogen 2.817 N/A VAL 329.A N LEU 158.A O no hydrogen 2.875 N/A LYS 330.A N GLN 307.A O no hydrogen 2.684 N/A LYS 330.A NZ ASP 149.A O no hydrogen 3.245 N/A LYS 330.A NZ GLN 307.A OE1 no hydrogen 2.657 N/A ILE 331.A N MET 156.A O no hydrogen 2.867 N/A THR 332.A N ALA 304.A O no hydrogen 3.032 N/A THR 332.A OG1 ALA 304.A O no hydrogen 3.527 N/A THR 332.A OG1 LEU 333.A O no hydrogen 3.290 N/A LEU 334.A N ASN 302.A O no hydrogen 2.782 N/A