Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ic2_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 10.A N ASP 7.A OD1 no hydrogen 2.755 N/A ALA 11.A N ASP 7.A O no hydrogen 3.302 N/A GLU 12.A N ILE 8.A O no hydrogen 2.825 N/A PHE 14.A N ALA 11.A O no hydrogen 3.067 N/A SER 15.A N GLU 12.A O no hydrogen 2.842 N/A LYS 23.A N SER 22.A OG no hydrogen 2.495 N/A ALA 26.A N SER 22.A O no hydrogen 3.455 N/A HIS 27.A N GLU 24.A O no hydrogen 3.106 N/A TRP 28.A N THR 25.A O no hydrogen 2.827 N/A ASP 35.A N PRO 32.A O no hydrogen 3.042 N/A GLU 41.A N GLU 41.A OE1 no hydrogen 2.583 N/A LEU 46.A N LEU 63.A O no hydrogen 2.795 N/A PHE 48.A N LEU 61.A O no hydrogen 3.203 N/A ALA 54.A N HIS 52.A ND1 no hydrogen 3.453 N/A LEU 63.A N LEU 46.A O no hydrogen 2.647 N/A GLU 64.A N LYS 72.A O no hydrogen 3.322 N/A LEU 65.A N MET 44.A O no hydrogen 2.634 N/A SER 66.A OG MET 69.A O no hydrogen 3.561 N/A VAL 70.A N HIS 406.A O no hydrogen 2.410 N/A ARG 71.A N GLU 64.A O no hydrogen 2.632 N/A LYS 72.A N GLU 64.A O no hydrogen 3.307 N/A CYS 73.A SG SER 403.A O no hydrogen 3.698 N/A CYS 73.A SG SER 403.A OG no hydrogen 3.108 N/A ASP 74.A N VAL 62.A O no hydrogen 3.343 N/A HIS 76.A N ARG 60.A O no hydrogen 3.004 N/A GLY 78.A N ASP 426.A OD1 no hydrogen 2.685 N/A LEU 80.A N ASP 426.A OD2 no hydrogen 2.624 N/A HIS 81.A N GLY 78.A O no hydrogen 3.192 N/A ARG 82.A NH2 ARG 102.A O no hydrogen 3.298 N/A LYS 86.A N GLY 83.A O no hydrogen 2.804 N/A LEU 87.A N GLY 83.A O no hydrogen 2.919 N/A GLU 89.A N LYS 86.A O no hydrogen 3.113 N/A TYR 90.A N LEU 87.A O no hydrogen 2.958 N/A LYS 91.A N ILE 88.A O no hydrogen 2.928 N/A THR 92.A OG1 GLU 351.A O no hydrogen 3.348 N/A THR 92.A OG1 SER 381.A O no hydrogen 3.148 N/A THR 92.A OG1 SER 381.A OG no hydrogen 2.850 N/A TYR 93.A N SER 381.A O no hydrogen 3.339 N/A GLN 95.A N THR 92.A O no hydrogen 3.137 N/A ALA 96.A N TYR 93.A O no hydrogen 3.309 N/A TYR 99.A N ALA 96.A O no hydrogen 3.142 N/A PHE 100.A N LEU 97.A O no hydrogen 3.042 N/A ARG 102.A N TYR 99.A O no hydrogen 3.011 N/A ARG 102.A NH1 PRO 98.A O no hydrogen 2.482 N/A LEU 103.A N PHE 100.A O no hydrogen 3.281 N/A SER 107.A OG ASP 104.A O no hydrogen 3.070 N/A SER 107.A OG ASP 104.A OD2 no hydrogen 2.744 N/A SER 107.A OG ASN 111.A OD1 no hydrogen 3.270 N/A CYS 110.A SG GLY 139.A O no hydrogen 3.072 N/A ASN 111.A ND2 PHE 100.A O no hydrogen 3.111 N/A ASN 111.A ND2 ASP 104.A O no hydrogen 2.527 N/A GLN 113.A N MET 109.A O no hydrogen 3.061 N/A ALA 114.A N ASN 111.A O no hydrogen 2.975 N/A TYR 115.A N ASN 111.A O no hydrogen 3.458 N/A TYR 115.A OH TYR 93.A O no hydrogen 2.542 N/A SER 116.A N GLU 112.A O no hydrogen 2.857 N/A SER 116.A OG GLU 120.A OE2 no hydrogen 2.651 N/A SER 116.A OG ARG 192.A O no hydrogen 3.035 N/A ILE 117.A N GLN 113.A O no hydrogen 2.747 N/A ALA 118.A N ALA 114.A O no hydrogen 3.010 N/A VAL 119.A N TYR 115.A O no hydrogen 2.786 N/A GLU 120.A N SER 116.A O no hydrogen 2.821 N/A LYS 121.A N ILE 117.A O no hydrogen 2.855 N/A LYS 121.A NZ THR 362.A OG1 no hydrogen 2.919 N/A LEU 122.A N ALA 118.A O no hydrogen 3.145 N/A LEU 123.A N VAL 119.A O no hydrogen 3.123 N/A ASN 124.A N LYS 121.A O no hydrogen 2.751 N/A ILE 125.A N GLU 120.A O no hydrogen 2.959 N/A ARG 130.A NE ASP 199.A OD1 no hydrogen 2.866 N/A ARG 130.A NH1 ASP 199.A OD1 no hydrogen 2.949 N/A ARG 130.A NH2 PRO 316.A O no hydrogen 3.279 N/A GLN 132.A N PRO 128.A O no hydrogen 3.259 N/A TRP 133.A N PRO 129.A O no hydrogen 3.325 N/A ILE 134.A N ARG 130.A O no hydrogen 3.001 N/A ARG 135.A N ALA 131.A O no hydrogen 2.953 N/A ARG 135.A NH2 SER 116.A OG no hydrogen 2.592 N/A ARG 135.A NH2 GLU 120.A OE2 no hydrogen 2.641 N/A VAL 136.A N GLN 132.A O no hydrogen 3.030 N/A LEU 137.A N TRP 133.A O no hydrogen 2.641 N/A PHE 138.A N ILE 134.A O no hydrogen 2.687 N/A GLU 140.A N VAL 136.A O no hydrogen 2.931 N/A ILE 141.A N LEU 137.A O no hydrogen 3.078 N/A THR 142.A N PHE 138.A O no hydrogen 3.121 N/A THR 142.A OG1 PHE 138.A O no hydrogen 2.571 N/A THR 142.A OG1 TYR 178.A OH no hydrogen 2.389 N/A ARG 143.A N GLY 139.A O no hydrogen 3.143 N/A ARG 143.A NH1 GLU 140.A OE2 no hydrogen 2.545 N/A ILE 144.A N GLU 140.A O no hydrogen 2.983 N/A LEU 145.A N ILE 141.A O no hydrogen 3.060 N/A ASN 146.A N THR 142.A O no hydrogen 2.943 N/A HIS 147.A N ARG 143.A O no hydrogen 2.916 N/A ILE 148.A N ILE 144.A O no hydrogen 2.819 N/A MET 149.A N LEU 145.A O no hydrogen 3.152 N/A ALA 150.A N ASN 146.A O no hydrogen 2.646 N/A VAL 151.A N HIS 147.A O no hydrogen 2.759 N/A THR 152.A N ILE 148.A O no hydrogen 3.130 N/A THR 152.A OG1 ILE 148.A O no hydrogen 2.607 N/A THR 153.A N MET 149.A O no hydrogen 2.917 N/A THR 153.A OG1 MET 149.A O no hydrogen 3.181 N/A HIS 154.A N ALA 150.A O no hydrogen 3.003 N/A ALA 155.A N VAL 151.A O no hydrogen 3.127 N/A LEU 156.A N THR 152.A O no hydrogen 2.981 N/A ASP 157.A N THR 153.A O no hydrogen 3.262 N/A ILE 158.A N HIS 154.A O no hydrogen 3.033 N/A GLY 159.A N ALA 155.A O no hydrogen 2.610 N/A TRP 166.A N THR 162.A O no hydrogen 3.031 N/A MET 167.A N PRO 163.A O no hydrogen 3.026 N/A PHE 168.A N PHE 164.A O no hydrogen 2.779 N/A GLU 169.A N PHE 165.A O no hydrogen 3.433 N/A ARG 171.A N MET 167.A O no hydrogen 2.786 N/A GLU 172.A N PHE 168.A O no hydrogen 2.756 N/A LYS 173.A N GLU 169.A O no hydrogen 3.088 N/A MET 174.A N GLU 170.A O no hydrogen 3.044 N/A PHE 175.A N ARG 171.A O no hydrogen 2.871 N/A GLU 176.A N GLU 172.A O no hydrogen 3.183 N/A PHE 177.A N MET 174.A O no hydrogen 2.536 N/A TYR 178.A N MET 174.A O no hydrogen 3.228 N/A TYR 178.A OH THR 142.A OG1 no hydrogen 2.389 N/A GLU 179.A N PHE 175.A O no hydrogen 2.831 N/A ARG 180.A N GLU 176.A O no hydrogen 2.912 N/A ARG 180.A NH1 ASP 207.A OD2 no hydrogen 2.723 N/A VAL 181.A N PHE 177.A O no hydrogen 2.896 N/A VAL 181.A N TYR 178.A O no hydrogen 2.904 N/A SER 182.A N TYR 178.A O no hydrogen 2.581 N/A SER 182.A OG TYR 178.A O no hydrogen 2.935 N/A ALA 184.A N SER 182.A OG no hydrogen 2.981 N/A ARG 185.A NH2 GLU 172.A OE1 no hydrogen 2.515 N/A TYR 190.A OH GLN 198.A O no hydrogen 2.479 N/A ARG 192.A N GLY 195.A O no hydrogen 2.871 N/A ARG 192.A NE ALA 189.A O no hydrogen 3.443 N/A GLY 195.A N ARG 192.A O no hydrogen 3.199 N/A VAL 196.A N ILE 320.A O no hydrogen 3.106 N/A HIS 197.A N TYR 190.A O no hydrogen 2.828 N/A LEU 200.A N ASP 199.A OD1 no hydrogen 2.637 N/A ILE 208.A N LEU 204.A O no hydrogen 2.912 N/A TYR 209.A N ASP 206.A O no hydrogen 3.090 N/A GLU 210.A N ASP 206.A O no hydrogen 3.147 N/A PHE 211.A N ASP 207.A O no hydrogen 3.107 N/A SER 212.A OG ILE 208.A O no hydrogen 3.001 N/A SER 212.A OG TYR 209.A O no hydrogen 2.615 N/A LYS 213.A N TYR 209.A O no hydrogen 2.679 N/A LYS 213.A NZ ASN 214.A OD1 no hydrogen 3.043 N/A ASN 214.A N PHE 211.A O no hydrogen 2.867 N/A PHE 215.A N PHE 211.A O no hydrogen 2.744 N/A LEU 217.A N ASN 214.A O no hydrogen 2.773 N/A ARG 218.A NH2 GLU 221.A OE1 no hydrogen 3.540 N/A ILE 219.A N PHE 215.A O no hydrogen 3.061 N/A ASP 220.A N SER 216.A O no hydrogen 2.812 N/A GLU 221.A N LEU 217.A O no hydrogen 2.818 N/A GLU 223.A N ILE 219.A O no hydrogen 3.254 N/A GLU 224.A N ASP 220.A O no hydrogen 3.250 N/A MET 225.A N GLU 221.A O no hydrogen 3.485 N/A LEU 226.A N VAL 222.A O no hydrogen 2.944 N/A THR 227.A OG1 ASN 228.A OD1 no hydrogen 3.160 N/A THR 227.A OG1 TYR 291.A OH no hydrogen 3.270 N/A ASN 229.A N LEU 226.A O no hydrogen 2.635 N/A ARG 233.A N ASN 229.A O no hydrogen 3.433 N/A ARG 235.A N ILE 231.A O no hydrogen 3.357 N/A THR 236.A N TRP 232.A O no hydrogen 3.067 N/A THR 236.A N ARG 233.A O no hydrogen 3.006 N/A THR 236.A OG1 TRP 232.A O no hydrogen 2.837 N/A THR 236.A OG1 ARG 233.A O no hydrogen 3.274 N/A VAL 237.A N ARG 233.A O no hydrogen 2.460 N/A ILE 239.A N THR 236.A O no hydrogen 3.252 N/A ALA 247.A N THR 243.A O no hydrogen 3.202 N/A LEU 248.A N ALA 244.A O no hydrogen 3.291 N/A ASN 249.A N GLU 245.A O no hydrogen 3.019 N/A TYR 250.A N ASP 246.A O no hydrogen 2.921 N/A GLY 251.A N LEU 248.A O no hydrogen 3.050 N/A PHE 252.A N ALA 247.A O no hydrogen 3.001 N/A SER 253.A OG GLY 251.A O no hydrogen 3.353 N/A SER 253.A OG PHE 252.A O no hydrogen 2.745 N/A SER 253.A OG SER 253.A O no hydrogen 2.660 N/A LEU 257.A N GLY 254.A O no hydrogen 3.210 N/A ARG 258.A N GLY 254.A O no hydrogen 3.054 N/A ARG 258.A NH1 TRP 264.A O no hydrogen 3.267 N/A ARG 258.A NH2 GLU 300.A OE2 no hydrogen 2.680 N/A GLY 259.A N VAL 255.A O no hydrogen 2.448 N/A SER 260.A N LEU 257.A O no hydrogen 2.877 N/A SER 260.A OG VAL 242.A O no hydrogen 2.713 N/A SER 260.A OG MET 256.A O no hydrogen 3.435 N/A GLY 261.A N ARG 258.A O no hydrogen 2.984 N/A LEU 266.A N GLU 365.A OE2 no hydrogen 2.536 N/A ARG 267.A NE ASP 265.A OD1 no hydrogen 3.429 N/A ARG 267.A NE ASP 265.A OD2 no hydrogen 3.096 N/A ARG 267.A NH1 GLU 140.A OE1 no hydrogen 3.389 N/A ARG 267.A NH2 ASP 265.A OD2 no hydrogen 2.521 N/A LYS 268.A N ASP 265.A O no hydrogen 2.689 N/A LYS 268.A NZ PHE 280.A O no hydrogen 3.054 N/A THR 269.A N ASP 265.A O no hydrogen 2.891 N/A THR 269.A OG1 ASP 265.A O no hydrogen 3.124 N/A GLN 270.A N LEU 266.A O no hydrogen 2.860 N/A TYR 275.A N TYR 272.A O no hydrogen 3.407 N/A GLN 277.A N VAL 274.A O no hydrogen 2.879 N/A GLU 279.A N GLN 310.A OE1 no hydrogen 3.301 N/A ASP 281.A N GLN 303.A OE1 no hydrogen 3.103 N/A ILE 284.A N VAL 282.A O no hydrogen 3.221 N/A GLY 285.A N ARG 258.A O no hydrogen 3.072 N/A ARG 287.A NH2 ASP 238.A OD1 no hydrogen 2.890 N/A CYS 290.A N ILE 239.A O no hydrogen 3.114 N/A CYS 290.A SG ILE 239.A O no hydrogen 3.188 N/A CYS 290.A SG THR 417.A OG1 no hydrogen 3.616 N/A TYR 291.A OH THR 227.A O no hydrogen 2.508 N/A TYR 291.A OH THR 227.A OG1 no hydrogen 3.270 N/A ASP 292.A N ASP 289.A OD1 no hydrogen 2.762 N/A ARG 293.A N ASP 289.A O no hydrogen 3.048 N/A TYR 294.A N CYS 290.A O no hydrogen 3.029 N/A TYR 294.A OH GLU 223.A OE1 no hydrogen 2.699 N/A LEU 295.A N TYR 291.A O no hydrogen 3.001 N/A CYS 296.A N ASP 292.A O no hydrogen 3.017 N/A CYS 296.A SG PRO 283.A O no hydrogen 3.194 N/A CYS 296.A SG ASP 292.A O no hydrogen 3.476 N/A ARG 297.A N ARG 293.A O no hydrogen 2.907 N/A ARG 297.A NH1 GLY 416.A O no hydrogen 3.324 N/A VAL 298.A N TYR 294.A O no hydrogen 2.968 N/A GLU 299.A N LEU 295.A O no hydrogen 2.873 N/A GLU 300.A N CYS 296.A O no hydrogen 2.887 N/A MET 301.A N ARG 297.A O no hydrogen 3.100 N/A ARG 302.A N VAL 298.A O no hydrogen 3.039 N/A ARG 302.A NH1 ASP 220.A OD1 no hydrogen 2.791 N/A ARG 302.A NH2 ASP 220.A OD1 no hydrogen 2.420 N/A GLN 303.A N GLU 299.A O no hydrogen 2.760 N/A GLN 303.A NE2 GLU 299.A OE2 no hydrogen 2.986 N/A SER 304.A N GLU 300.A O no hydrogen 2.720 N/A SER 304.A OG GLU 300.A O no hydrogen 2.903 N/A SER 304.A OG MET 301.A O no hydrogen 2.673 N/A LEU 305.A N MET 301.A O no hydrogen 3.288 N/A ARG 306.A N ARG 302.A O no hydrogen 3.369 N/A ARG 306.A NH1 ASP 281.A OD2 no hydrogen 2.978 N/A ARG 306.A NH1 GLN 303.A OE1 no hydrogen 3.060 N/A ILE 307.A N GLN 303.A O no hydrogen 3.031 N/A ILE 308.A N SER 304.A O no hydrogen 2.743 N/A GLU 309.A N LEU 305.A O no hydrogen 2.987 N/A GLN 310.A N ARG 306.A O no hydrogen 3.358 N/A CYS 311.A N ILE 307.A O no hydrogen 2.987 N/A CYS 311.A SG ILE 307.A O no hydrogen 3.176 N/A LEU 312.A N ILE 308.A O no hydrogen 3.013 N/A ASN 313.A N GLU 309.A O no hydrogen 2.908 N/A ASN 313.A ND2 GLU 309.A OE1 no hydrogen 3.404 N/A LYS 314.A N GLN 310.A O no hydrogen 2.695 N/A LYS 314.A NZ GLN 277.A O no hydrogen 3.405 N/A LYS 321.A NZ HIS 197.A O no hydrogen 3.130 N/A VAL 322.A N GLY 194.A O no hydrogen 3.163 N/A LYS 326.A N ASP 324.A OD1 no hydrogen 3.334 N/A LYS 326.A NZ HIS 344.A NE2 no hydrogen 2.548 N/A VAL 327.A N ASP 324.A O no hydrogen 2.785 N/A SER 328.A N ASP 324.A O no hydrogen 2.859 N/A SER 328.A OG VAL 322.A O no hydrogen 2.477 N/A SER 328.A OG ASP 324.A O no hydrogen 3.183 N/A MET 335.A N LYS 331.A O no hydrogen 3.016 N/A LYS 336.A N ALA 333.A O no hydrogen 3.304 N/A THR 337.A N GLU 334.A O no hydrogen 3.049 N/A THR 337.A OG1 ALA 333.A O no hydrogen 2.822 N/A THR 337.A OG1 GLU 334.A O no hydrogen 3.518 N/A SER 338.A N GLU 334.A O no hydrogen 2.720 N/A SER 338.A OG GLU 334.A O no hydrogen 2.497 N/A SER 338.A OG SER 341.A OG no hydrogen 2.487 N/A SER 341.A OG SER 338.A OG no hydrogen 2.487 N/A LEU 342.A N SER 338.A O no hydrogen 3.105 N/A ILE 343.A N MET 339.A O no hydrogen 2.983 N/A HIS 344.A N GLU 340.A O no hydrogen 2.983 N/A HIS 345.A N SER 341.A O no hydrogen 2.763 N/A PHE 346.A N LEU 342.A O no hydrogen 2.664 N/A LYS 347.A N ILE 343.A O no hydrogen 2.887 N/A LEU 348.A N HIS 344.A O no hydrogen 3.026 N/A TYR 349.A N HIS 345.A O no hydrogen 3.116 N/A THR 350.A N PHE 346.A O no hydrogen 3.014 N/A THR 350.A OG1 PHE 346.A O no hydrogen 2.926 N/A THR 350.A OG1 LYS 347.A O no hydrogen 3.451 N/A GLU 351.A N LYS 347.A O no hydrogen 2.775 N/A GLY 352.A N LYS 347.A O no hydrogen 3.201 N/A GLY 358.A N SER 377.A O no hydrogen 2.874 N/A TYR 361.A OH GLU 370.A OE2 no hydrogen 3.305 N/A THR 362.A N VAL 373.A O no hydrogen 3.384 N/A ILE 364.A N PHE 371.A O no hydrogen 3.048 N/A GLU 365.A N TYR 272.A OH no hydrogen 2.887 N/A LYS 368.A NZ ASP 419.A O no hydrogen 2.767 N/A GLU 370.A N SER 253.A O no hydrogen 3.089 N/A GLY 372.A N LYS 389.A O no hydrogen 3.314 N/A VAL 373.A N THR 362.A O no hydrogen 3.242 N/A TYR 374.A N LYS 387.A O no hydrogen 2.893 N/A LEU 375.A N THR 360.A O no hydrogen 3.003 N/A SER 377.A N GLY 358.A O no hydrogen 2.806 N/A SER 377.A OG PRO 356.A O no hydrogen 3.404 N/A SER 377.A OG GLY 358.A O no hydrogen 3.029 N/A SER 380.A OG ARG 382.A O no hydrogen 3.029 N/A SER 381.A OG THR 92.A OG1 no hydrogen 2.850 N/A SER 381.A OG GLU 351.A O no hydrogen 2.653 N/A TYR 384.A N VAL 376.A O no hydrogen 3.190 N/A ARG 385.A N VAL 376.A O no hydrogen 3.366 N/A CYS 386.A SG GLU 85.A O no hydrogen 3.653 N/A LYS 387.A NZ GLU 85.A OE2 no hydrogen 3.350 N/A LYS 389.A N GLY 372.A O no hydrogen 2.610 N/A PHE 393.A N ALA 390.A O no hydrogen 3.123 N/A HIS 395.A NE2 PHE 252.A O no hydrogen 2.823 N/A LEU 396.A N GLY 392.A O no hydrogen 2.953 N/A ALA 397.A N PHE 393.A O no hydrogen 3.431 N/A GLY 398.A N ALA 394.A O no hydrogen 3.302 N/A LEU 399.A N LEU 396.A O no hydrogen 2.545 N/A ASP 400.A N ALA 397.A O no hydrogen 3.453 N/A MET 402.A N GLY 398.A O no hydrogen 2.769 N/A MET 402.A N LEU 399.A O no hydrogen 3.296 N/A SER 403.A N LEU 399.A O no hydrogen 2.836 N/A SER 403.A OG LEU 399.A O no hydrogen 2.709 N/A SER 403.A OG SER 403.A O no hydrogen 2.679 N/A LYS 404.A N MET 402.A O no hydrogen 3.059 N/A MET 407.A N ASP 410.A OD2 no hydrogen 3.279 N/A VAL 411.A N MET 407.A O no hydrogen 3.311 N/A VAL 411.A N LEU 408.A O no hydrogen 3.096 N/A VAL 412.A N LEU 408.A O no hydrogen 3.446 N/A ALA 413.A N ALA 409.A O no hydrogen 3.149 N/A ILE 414.A N ASP 410.A O no hydrogen 2.974 N/A ILE 415.A N VAL 411.A O no hydrogen 3.074 N/A GLY 416.A N VAL 412.A O no hydrogen 3.409 N/A THR 417.A N ALA 413.A O no hydrogen 3.169 N/A THR 417.A N ILE 414.A O no hydrogen 3.021 N/A THR 417.A OG1 ILE 414.A O no hydrogen 2.912 N/A GLN 418.A N ILE 415.A O no hydrogen 3.324 N/A ASP 419.A N GLY 416.A O no hydrogen 3.289 N/A GLU 424.A N VAL 421.A O no hydrogen 3.098 N/A ASP 426.A N PHE 422.A O no hydrogen 2.859 N/A ARG 427.A N GLY 423.A O no hydrogen 2.826 N/A