Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e22_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N GLY 124.A O no hydrogen 3.268 N/A SER 5.A N ARG 54.A O no hydrogen 2.959 N/A ILE 6.A N LEU 126.A O no hydrogen 2.938 N/A HIS 7.A N VAL 56.A O no hydrogen 2.855 N/A VAL 8.A N PHE 128.A O no hydrogen 3.020 N/A GLY 9.A N VAL 58.A O no hydrogen 2.783 N/A GLN 10.A N ASP 59.A OD2 no hydrogen 3.363 N/A GLN 10.A NE2 GLN 14.A OE1 no hydrogen 2.975 N/A VAL 13.A N GLY 9.A O no hydrogen 3.219 N/A GLN 14.A N GLN 10.A O no hydrogen 2.733 N/A ILE 15.A N ALA 11.A O no hydrogen 2.845 N/A GLY 16.A N GLY 12.A O no hydrogen 3.036 N/A ASN 17.A N VAL 13.A O no hydrogen 2.634 N/A ALA 18.A N GLN 14.A O no hydrogen 3.181 N/A CYS 19.A N GLY 16.A O no hydrogen 2.460 N/A CYS 19.A SG ILE 15.A O no hydrogen 3.535 N/A CYS 19.A SG GLY 16.A O no hydrogen 3.802 N/A TRP 20.A N GLY 16.A O no hydrogen 2.887 N/A TYR 23.A N CYS 19.A O no hydrogen 3.065 N/A TYR 23.A OH THR 229.A OG1 no hydrogen 3.012 N/A CYS 24.A N TRP 20.A O no hydrogen 2.925 N/A CYS 24.A SG TRP 20.A O no hydrogen 3.669 N/A LEU 25.A N GLU 21.A O no hydrogen 3.316 N/A GLU 26.A N LEU 22.A O no hydrogen 2.907 N/A HIS 27.A N TYR 23.A O no hydrogen 2.907 N/A GLY 28.A N LEU 25.A O no hydrogen 3.221 N/A ILE 29.A N CYS 24.A O no hydrogen 2.900 N/A GLN 30.A N GLN 34.A O no hydrogen 2.834 N/A GLY 33.A N GLN 30.A O no hydrogen 2.680 N/A GLN 34.A N ASP 32.A OD1 no hydrogen 3.301 N/A PHE 39.A N ARG 233.A O no hydrogen 2.594 N/A PHE 42.A N PHE 39.A O no hydrogen 3.178 N/A SER 44.A N HIS 51.A O no hydrogen 3.224 N/A SER 44.A N VAL 52.A O no hydrogen 3.264 N/A THR 46.A N SER 44.A O no hydrogen 2.553 N/A ARG 54.A N PHE 42.A O no hydrogen 2.895 N/A ARG 54.A NH1 ASN 40.A O no hydrogen 2.986 N/A VAL 56.A N SER 5.A O no hydrogen 2.896 N/A PHE 57.A N GLN 81.A O no hydrogen 2.943 N/A VAL 58.A N HIS 7.A O no hydrogen 2.919 N/A ASP 59.A N ILE 83.A O no hydrogen 2.940 N/A GLU 67.A N THR 63.A O no hydrogen 2.999 N/A VAL 68.A N ILE 65.A O no hydrogen 3.090 N/A ARG 69.A N ILE 65.A O no hydrogen 3.453 N/A ARG 69.A NH2 ASP 66.A OD1 no hydrogen 3.216 N/A GLY 71.A N GLU 67.A O no hydrogen 3.380 N/A GLN 81.A N HIS 78.A O no hydrogen 3.049 N/A ILE 83.A N PHE 57.A O no hydrogen 2.413 N/A GLU 87.A N GLY 85.A O no hydrogen 2.725 N/A ALA 89.A N ASP 88.A OD1 no hydrogen 2.786 N/A TYR 93.A OH SER 141.A OG no hydrogen 3.354 N/A ARG 95.A NH2 GLU 87.A OE2 no hydrogen 3.459 N/A ARG 95.A NH2 ASP 88.A O no hydrogen 3.286 N/A HIS 97.A N TYR 93.A O no hydrogen 2.945 N/A TYR 98.A N ALA 94.A O no hydrogen 3.078 N/A TYR 98.A N ARG 95.A O no hydrogen 3.375 N/A TYR 98.A OH GLU 407.A OE1 no hydrogen 2.695 N/A THR 99.A N ARG 95.A O no hydrogen 3.070 N/A ILE 100.A N ARG 95.A O no hydrogen 2.937 N/A GLY 101.A N ARG 95.A O no hydrogen 3.323 N/A GLU 103.A N ILE 100.A O no hydrogen 3.360 N/A ILE 104.A N GLY 101.A O no hydrogen 3.033 N/A ILE 105.A N GLY 101.A O no hydrogen 2.996 N/A VAL 108.A N ILE 104.A O no hydrogen 3.031 N/A LEU 109.A N ILE 105.A O no hydrogen 3.114 N/A ASP 110.A N LEU 107.A O no hydrogen 2.846 N/A ARG 111.A N LEU 107.A O no hydrogen 3.092 N/A ARG 111.A N VAL 108.A O no hydrogen 2.617 N/A VAL 112.A N VAL 108.A O no hydrogen 3.083 N/A ARG 113.A N LEU 109.A O no hydrogen 3.281 N/A LYS 114.A N ARG 111.A O no hydrogen 3.290 N/A LEU 115.A N VAL 112.A O no hydrogen 3.001 N/A ALA 116.A N VAL 112.A O no hydrogen 3.188 N/A ASP 117.A N ARG 113.A O no hydrogen 2.954 N/A CYS 119.A SG LEU 115.A O no hydrogen 2.913 N/A CYS 119.A SG GLN 118.A O no hydrogen 2.992 N/A THR 120.A OG1 GLU 2.A OE2 no hydrogen 3.173 N/A GLY 121.A N CYS 119.A O no hydrogen 2.763 N/A GLN 123.A N GLU 2.A O no hydrogen 3.041 N/A PHE 125.A N SER 155.A O no hydrogen 2.911 N/A LEU 126.A N ILE 4.A O no hydrogen 2.983 N/A VAL 127.A N LEU 157.A O no hydrogen 2.861 N/A PHE 128.A N ILE 6.A O no hydrogen 2.765 N/A HIS 129.A N PHE 159.A O no hydrogen 3.262 N/A SER 130.A OG GLY 132.A O no hydrogen 3.439 N/A PHE 131.A N ILE 161.A O no hydrogen 3.208 N/A SER 137.A N GLY 133.A O no hydrogen 2.992 N/A SER 137.A OG GLY 133.A O no hydrogen 2.641 N/A SER 137.A OG GLY 134.A O no hydrogen 3.235 N/A GLY 138.A N GLY 134.A O no hydrogen 3.181 N/A PHE 139.A N THR 135.A O no hydrogen 2.850 N/A THR 140.A OG1 GLY 136.A O no hydrogen 2.638 N/A SER 141.A N SER 137.A O no hydrogen 3.214 N/A SER 141.A OG TYR 93.A OH no hydrogen 3.354 N/A LEU 142.A N GLY 138.A O no hydrogen 2.821 N/A LEU 143.A N PHE 139.A O no hydrogen 2.494 N/A MET 144.A N THR 140.A O no hydrogen 2.724 N/A GLU 145.A N SER 141.A O no hydrogen 3.249 N/A ARG 146.A N LEU 142.A O no hydrogen 3.246 N/A ARG 146.A NH1 ASP 106.A OD1 no hydrogen 3.277 N/A LEU 147.A N LEU 143.A O no hydrogen 2.873 N/A SER 148.A N MET 144.A O no hydrogen 3.354 N/A SER 148.A OG MET 144.A O no hydrogen 3.504 N/A VAL 149.A N ARG 146.A O no hydrogen 2.828 N/A ASP 150.A N ARG 146.A O no hydrogen 3.132 N/A TYR 151.A N LEU 147.A O no hydrogen 2.758 N/A LYS 154.A NZ LEU 122.A O no hydrogen 3.427 N/A LYS 156.A N ASP 189.A OD1 no hydrogen 3.002 N/A LYS 156.A NZ SER 148.A OG no hydrogen 2.887 N/A LYS 156.A NZ HIS 187.A O no hydrogen 3.003 N/A LEU 157.A N PHE 125.A O no hydrogen 2.729 N/A GLU 158.A N CYS 190.A O no hydrogen 2.981 N/A PHE 159.A N VAL 127.A O no hydrogen 3.034 N/A SER 160.A N PHE 192.A O no hydrogen 2.859 N/A ILE 161.A N HIS 129.A O no hydrogen 3.226 N/A TYR 162.A OH ALA 377.A O no hydrogen 3.388 N/A VAL 167.A N ALA 164.A O no hydrogen 3.044 N/A GLU 173.A N ALA 170.A O no hydrogen 2.640 N/A TYR 175.A N VAL 172.A O no hydrogen 2.673 N/A ASN 176.A N VAL 172.A O no hydrogen 3.434 N/A ASN 176.A ND2 ASN 91.A O no hydrogen 3.153 N/A SER 177.A N GLU 173.A O no hydrogen 2.981 N/A SER 177.A OG GLU 173.A O no hydrogen 3.092 N/A LEU 179.A N TYR 175.A O no hydrogen 2.946 N/A THR 180.A N ASN 176.A O no hydrogen 2.988 N/A THR 180.A OG1 SER 137.A O no hydrogen 2.875 N/A THR 181.A N SER 177.A O no hydrogen 3.037 N/A HIS 182.A ND1 ASP 414.A OD2 no hydrogen 3.148 N/A HIS 182.A NE2 GLU 410.A OE2 no hydrogen 3.099 N/A THR 183.A OG1 TYR 93.A OH no hydrogen 3.246 N/A THR 183.A OG1 LEU 179.A O no hydrogen 3.296 N/A THR 184.A N THR 180.A O no hydrogen 2.824 N/A LEU 185.A N THR 181.A O no hydrogen 2.864 N/A HIS 187.A N THR 184.A O no hydrogen 2.778 N/A SER 188.A N THR 184.A O no hydrogen 3.013 N/A SER 188.A N LEU 185.A O no hydrogen 3.313 N/A SER 188.A OG GLU 158.A OE2 no hydrogen 3.385 N/A ASP 189.A N LYS 156.A O no hydrogen 3.109 N/A CYS 190.A N LYS 156.A O no hydrogen 3.494 N/A ALA 191.A N HIS 256.A O no hydrogen 3.398 N/A PHE 192.A N GLU 158.A O no hydrogen 2.930 N/A ASP 195.A N MET 292.A O no hydrogen 2.584 N/A ASN 196.A N TYR 162.A O no hydrogen 3.078 N/A ILE 199.A N ASP 195.A O no hydrogen 2.830 N/A TYR 200.A N ASN 196.A O no hydrogen 2.821 N/A ASP 201.A N GLU 197.A O no hydrogen 2.808 N/A ILE 202.A N ALA 198.A O no hydrogen 2.965 N/A CYS 203.A N ILE 199.A O no hydrogen 3.219 N/A CYS 203.A SG ILE 199.A O no hydrogen 3.379 N/A ARG 204.A N TYR 200.A O no hydrogen 3.147 N/A ARG 204.A NE GLU 210.A O no hydrogen 3.401 N/A ARG 205.A N ASP 201.A O no hydrogen 3.273 N/A ASN 206.A N ILE 202.A O no hydrogen 2.588 N/A LEU 207.A N CYS 203.A O no hydrogen 3.074 N/A ASP 208.A N CYS 203.A O no hydrogen 3.134 N/A THR 213.A N ASN 216.A OD1 no hydrogen 3.315 N/A THR 213.A OG1 ASN 216.A OD1 no hydrogen 2.777 N/A LEU 217.A N THR 213.A O no hydrogen 3.263 N/A ASN 218.A N TYR 214.A O no hydrogen 2.586 N/A ARG 219.A N THR 215.A O no hydrogen 3.243 N/A ARG 219.A NH1 GLU 21.A OE1 no hydrogen 2.760 N/A MET 221.A N LEU 217.A O no hydrogen 3.308 N/A SER 222.A N ASN 218.A O no hydrogen 2.900 N/A GLN 223.A N ARG 219.A O no hydrogen 2.949 N/A GLN 223.A NE2 THR 351.A O no hydrogen 3.184 N/A ILE 224.A N LEU 220.A O no hydrogen 3.076 N/A VAL 225.A N MET 221.A O no hydrogen 2.647 N/A SER 226.A N SER 222.A O no hydrogen 2.883 N/A SER 226.A OG GLU 26.A OE2 no hydrogen 3.092 N/A SER 227.A N GLN 223.A O no hydrogen 2.825 N/A ILE 228.A N ILE 224.A O no hydrogen 2.897 N/A THR 229.A N VAL 225.A O no hydrogen 2.938 N/A THR 229.A OG1 TYR 23.A OH no hydrogen 3.012 N/A THR 229.A OG1 VAL 225.A O no hydrogen 3.046 N/A THR 229.A OG1 SER 226.A O no hydrogen 2.968 N/A ALA 230.A N SER 226.A O no hydrogen 2.442 N/A SER 231.A OG ILE 228.A O no hydrogen 2.672 N/A LEU 232.A N THR 229.A O no hydrogen 2.773 N/A ARG 233.A N ALA 230.A O no hydrogen 2.825 N/A ARG 233.A NE HIS 27.A NE2 no hydrogen 3.112 N/A ARG 233.A NH1 SER 226.A O no hydrogen 3.250 N/A ARG 233.A NH1 THR 229.A OG1 no hydrogen 2.965 N/A ARG 233.A NH2 GLU 26.A OE2 no hydrogen 2.662 N/A PHE 234.A N ALA 230.A O no hydrogen 3.365 N/A ASP 235.A N SER 231.A O no hydrogen 3.081 N/A ASN 239.A N GLU 244.A OE1 no hydrogen 3.000 N/A ASN 239.A ND2 GLU 244.A O no hydrogen 3.439 N/A PHE 245.A N LEU 242.A O no hydrogen 2.755 N/A GLN 246.A N THR 243.A O no hydrogen 2.880 N/A GLN 246.A NE2 ASP 189.A OD2 no hydrogen 3.499 N/A THR 247.A OG1 THR 243.A O no hydrogen 3.490 N/A ASN 248.A N PHE 245.A O no hydrogen 3.108 N/A LEU 249.A N GLN 246.A O no hydrogen 2.926 N/A VAL 250.A N GLN 246.A O no hydrogen 3.034 N/A ARG 254.A NE ASP 421.A OD2 no hydrogen 2.985 N/A ARG 254.A NH1 ASP 414.A OD1 no hydrogen 3.216 N/A ARG 254.A NH2 ASP 421.A OD2 no hydrogen 2.985 N/A ILE 255.A N PRO 253.A O no hydrogen 2.663 N/A PHE 257.A N TYR 422.A OH no hydrogen 3.370 N/A LEU 259.A N SER 369.A O no hydrogen 2.592 N/A THR 261.A N MET 367.A O no hydrogen 3.085 N/A THR 261.A OG1 CYS 285.A O no hydrogen 3.262 N/A ALA 263.A N VAL 365.A O no hydrogen 2.963 N/A SER 267.A OG ALA 268.A O no hydrogen 3.538 N/A SER 267.A OG GLU 269.A OE1 no hydrogen 3.014 N/A SER 267.A OG GLU 269.A OE2 no hydrogen 3.172 N/A ALA 268.A N ASP 357.A O no hydrogen 2.857 N/A LYS 270.A N SER 267.A O no hydrogen 2.949 N/A HIS 273.A N LYS 270.A O no hydrogen 2.705 N/A GLU 280.A N SER 277.A O no hydrogen 2.405 N/A ILE 281.A N SER 277.A O no hydrogen 3.361 N/A THR 282.A OG1 VAL 278.A O no hydrogen 2.625 N/A THR 282.A OG1 TYR 309.A OH no hydrogen 2.755 N/A ASN 283.A N ALA 279.A O no hydrogen 2.781 N/A ALA 284.A N ILE 281.A O no hydrogen 2.967 N/A CYS 285.A N THR 282.A O no hydrogen 2.539 N/A CYS 285.A SG ILE 281.A O no hydrogen 3.590 N/A ALA 289.A N GLU 287.A OE2 no hydrogen 2.801 N/A ASN 290.A N GLU 287.A O no hydrogen 2.979 N/A GLN 291.A N PRO 288.A O no hydrogen 2.660 N/A LYS 294.A N ASP 195.A OD2 no hydrogen 2.972 N/A CYS 295.A SG GLN 291.A OE1 no hydrogen 4.022 N/A CYS 295.A SG VAL 293.A O no hydrogen 3.485 N/A ARG 298.A N ASP 296.A OD1 no hydrogen 3.237 N/A HIS 299.A ND1 GLU 376.A OE1 no hydrogen 2.245 N/A LYS 301.A N THR 372.A OG1 no hydrogen 2.649 N/A TYR 302.A N GLN 332.A O no hydrogen 2.958 N/A MET 303.A N ASN 370.A O no hydrogen 2.975 N/A CYS 305.A SG LEU 368.A O no hydrogen 3.580 N/A CYS 306.A SG LYS 342.A O no hydrogen 3.604 N/A LEU 307.A N LYS 342.A O no hydrogen 3.069 N/A TYR 309.A N GLY 344.A O no hydrogen 2.758 N/A TYR 309.A OH THR 282.A OG1 no hydrogen 2.755 N/A ARG 310.A N ALA 364.A O no hydrogen 2.732 N/A ARG 310.A NE GLN 348.A O no hydrogen 3.279 N/A ARG 310.A NH1 GLU 26.A OE2 no hydrogen 2.442 N/A ARG 310.A NH2 GLN 348.A O no hydrogen 3.135 N/A GLY 311.A N ASN 346.A O no hydrogen 2.847 N/A ASP 317.A N VAL 314.A O no hydrogen 2.883 N/A VAL 318.A N VAL 314.A O no hydrogen 3.191 N/A ASN 319.A N PRO 315.A O no hydrogen 2.793 N/A ALA 320.A N LYS 316.A O no hydrogen 3.407 N/A ALA 321.A N ASP 317.A O no hydrogen 2.721 N/A ILE 322.A N VAL 318.A O no hydrogen 3.142 N/A ALA 323.A N ASN 319.A O no hydrogen 2.723 N/A THR 324.A N ALA 321.A O no hydrogen 2.676 N/A THR 324.A OG1 ALA 320.A O no hydrogen 3.021 N/A LYS 326.A N ILE 322.A O no hydrogen 3.399 N/A ARG 329.A N ILE 325.A O no hydrogen 2.812 N/A VAL 334.A N TYR 302.A O no hydrogen 2.908 N/A CYS 337.A SG MET 303.A O no hydrogen 3.856 N/A CYS 337.A SG TRP 336.A O no hydrogen 3.381 N/A THR 339.A OG1 PRO 338.A O no hydrogen 2.372 N/A LYS 342.A NZ ASN 248.A OD1 no hydrogen 3.161 N/A GLY 344.A N LEU 307.A O no hydrogen 2.656 N/A ASN 346.A N TYR 309.A O no hydrogen 3.081 N/A GLN 348.A NE2 GLU 26.A O no hydrogen 3.474 N/A ALA 359.A N ILE 266.A O no hydrogen 3.058 N/A ALA 364.A N ARG 310.A O no hydrogen 2.818 N/A CYS 366.A SG THR 261.A O no hydrogen 3.702 N/A CYS 366.A SG CYS 366.A O no hydrogen 2.520 N/A LEU 368.A N CYS 306.A O no hydrogen 2.777 N/A SER 369.A N LEU 259.A O no hydrogen 3.043 N/A SER 369.A OG LEU 259.A O no hydrogen 3.363 N/A ASN 370.A N ALA 304.A O no hydrogen 2.925 N/A THR 372.A N LYS 301.A O no hydrogen 2.959 N/A THR 372.A OG1 LYS 301.A O no hydrogen 3.210 N/A ALA 373.A N THR 371.A OG1 no hydrogen 3.227 N/A ALA 375.A N THR 372.A O no hydrogen 3.270 N/A GLU 376.A N ALA 373.A O no hydrogen 3.020 N/A ALA 377.A N VAL 374.A O no hydrogen 2.873 N/A ALA 379.A N ALA 375.A O no hydrogen 3.257 N/A ARG 380.A N GLU 376.A O no hydrogen 3.327 N/A ARG 380.A NE TYR 162.A OH no hydrogen 3.315 N/A ARG 380.A NH1 LYS 294.A O no hydrogen 2.732 N/A ARG 380.A NH2 TYR 162.A OH no hydrogen 3.062 N/A ARG 380.A NH2 ASP 195.A OD2 no hydrogen 3.540 N/A LEU 381.A N ALA 377.A O no hydrogen 3.491 N/A ASP 382.A N TRP 378.A O no hydrogen 3.009 N/A HIS 383.A N ALA 379.A O no hydrogen 2.704 N/A PHE 385.A N LEU 381.A O no hydrogen 3.261 N/A ASP 386.A N ASP 382.A O no hydrogen 2.755 N/A LEU 387.A N HIS 383.A O no hydrogen 3.229 N/A LEU 387.A N LYS 384.A O no hydrogen 2.979 N/A MET 388.A N LYS 384.A O no hydrogen 3.086 N/A TYR 389.A N PHE 385.A O no hydrogen 2.812 N/A TYR 389.A OH GLU 405.A O no hydrogen 3.380 N/A ALA 390.A N ASP 386.A O no hydrogen 3.055 N/A LYS 391.A N MET 388.A O no hydrogen 2.859 N/A ARG 392.A N TYR 389.A O no hydrogen 2.815 N/A ARG 392.A NE TYR 389.A O no hydrogen 3.326 N/A ARG 392.A NH1 GLU 405.A OE2 no hydrogen 3.444 N/A TRP 397.A N PHE 394.A O no hydrogen 2.873 N/A TYR 398.A N VAL 395.A O no hydrogen 2.835 N/A TYR 398.A OH ASN 176.A OD1 no hydrogen 2.701 N/A VAL 399.A N VAL 395.A O no hydrogen 3.181 N/A GLY 400.A N HIS 396.A O no hydrogen 2.645 N/A GLY 402.A N TYR 398.A O no hydrogen 3.111 N/A MET 403.A N TYR 398.A O no hydrogen 3.115 N/A GLU 407.A N GLU 404.A O no hydrogen 3.056 N/A GLU 410.A N GLY 406.A O no hydrogen 2.996 N/A ARG 412.A N PHE 408.A O no hydrogen 3.405 N/A ARG 412.A NH1 ARG 412.A O no hydrogen 2.986 N/A ARG 412.A NH2 ASP 386.A OD2 no hydrogen 2.548 N/A GLU 413.A N SER 409.A O no hydrogen 2.850 N/A MET 415.A N ALA 411.A O no hydrogen 2.906 N/A ALA 416.A N ARG 412.A O no hydrogen 2.949 N/A ALA 417.A N ASP 414.A O no hydrogen 3.094 N/A LEU 418.A N ASP 414.A O no hydrogen 3.099 N/A GLU 419.A N MET 415.A O no hydrogen 3.117 N/A LYS 420.A N ALA 417.A O no hydrogen 2.917 N/A ASP 421.A N ALA 417.A O no hydrogen 2.964 N/A TYR 422.A N LEU 418.A O no hydrogen 2.999 N/A GLU 424.A N LYS 420.A O no hydrogen 2.387 N/A