Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ic3_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N LEU 21.A O no hydrogen 2.795 N/A PHE 6.A N LEU 19.A O no hydrogen 3.203 N/A ALA 12.A N HIS 10.A ND1 no hydrogen 3.453 N/A LEU 21.A N LEU 4.A O no hydrogen 2.647 N/A GLU 22.A N LYS 30.A O no hydrogen 3.322 N/A LEU 23.A N MET 2.A O no hydrogen 2.634 N/A SER 24.A OG MET 27.A O no hydrogen 3.561 N/A VAL 28.A N HIS 364.A O no hydrogen 2.410 N/A ARG 29.A N GLU 22.A O no hydrogen 2.632 N/A LYS 30.A N GLU 22.A O no hydrogen 3.307 N/A CYS 31.A SG SER 361.A O no hydrogen 3.698 N/A CYS 31.A SG SER 361.A OG no hydrogen 3.108 N/A ASP 32.A N VAL 20.A O no hydrogen 3.343 N/A HIS 34.A N ARG 18.A O no hydrogen 3.004 N/A GLY 36.A N ASP 384.A OD1 no hydrogen 2.685 N/A LEU 38.A N ASP 384.A OD2 no hydrogen 2.624 N/A HIS 39.A N GLY 36.A O no hydrogen 3.192 N/A ARG 40.A NH2 ARG 60.A O no hydrogen 3.298 N/A LYS 44.A N GLY 41.A O no hydrogen 2.804 N/A LEU 45.A N GLY 41.A O no hydrogen 2.919 N/A GLU 47.A N LYS 44.A O no hydrogen 3.113 N/A TYR 48.A N LEU 45.A O no hydrogen 2.958 N/A LYS 49.A N ILE 46.A O no hydrogen 2.928 N/A THR 50.A OG1 GLU 309.A O no hydrogen 3.348 N/A THR 50.A OG1 SER 339.A O no hydrogen 3.148 N/A THR 50.A OG1 SER 339.A OG no hydrogen 2.850 N/A TYR 51.A N SER 339.A O no hydrogen 3.339 N/A GLN 53.A N THR 50.A O no hydrogen 3.137 N/A ALA 54.A N TYR 51.A O no hydrogen 3.309 N/A TYR 57.A N ALA 54.A O no hydrogen 3.142 N/A PHE 58.A N LEU 55.A O no hydrogen 3.042 N/A ARG 60.A N TYR 57.A O no hydrogen 3.011 N/A ARG 60.A NH1 PRO 56.A O no hydrogen 2.482 N/A LEU 61.A N PHE 58.A O no hydrogen 3.281 N/A SER 65.A OG ASP 62.A O no hydrogen 3.070 N/A SER 65.A OG ASP 62.A OD2 no hydrogen 2.744 N/A SER 65.A OG ASN 69.A OD1 no hydrogen 3.270 N/A CYS 68.A SG GLY 97.A O no hydrogen 3.072 N/A ASN 69.A ND2 PHE 58.A O no hydrogen 3.111 N/A ASN 69.A ND2 ASP 62.A O no hydrogen 2.527 N/A GLN 71.A N MET 67.A O no hydrogen 3.061 N/A ALA 72.A N ASN 69.A O no hydrogen 2.975 N/A TYR 73.A N ASN 69.A O no hydrogen 3.458 N/A TYR 73.A OH TYR 51.A O no hydrogen 2.542 N/A SER 74.A N GLU 70.A O no hydrogen 2.857 N/A SER 74.A OG GLU 78.A OE2 no hydrogen 2.651 N/A SER 74.A OG ARG 150.A O no hydrogen 3.035 N/A ILE 75.A N GLN 71.A O no hydrogen 2.747 N/A ALA 76.A N ALA 72.A O no hydrogen 3.010 N/A VAL 77.A N TYR 73.A O no hydrogen 2.786 N/A GLU 78.A N SER 74.A O no hydrogen 2.821 N/A LYS 79.A N ILE 75.A O no hydrogen 2.855 N/A LYS 79.A NZ THR 320.A OG1 no hydrogen 2.919 N/A LEU 80.A N ALA 76.A O no hydrogen 3.145 N/A LEU 81.A N VAL 77.A O no hydrogen 3.123 N/A ASN 82.A N LYS 79.A O no hydrogen 2.751 N/A ILE 83.A N GLU 78.A O no hydrogen 2.959 N/A ARG 88.A NE ASP 157.A OD1 no hydrogen 2.866 N/A ARG 88.A NH1 ASP 157.A OD1 no hydrogen 2.949 N/A ARG 88.A NH2 PRO 274.A O no hydrogen 3.279 N/A GLN 90.A N PRO 86.A O no hydrogen 3.259 N/A TRP 91.A N PRO 87.A O no hydrogen 3.325 N/A ILE 92.A N ARG 88.A O no hydrogen 3.001 N/A ARG 93.A N ALA 89.A O no hydrogen 2.953 N/A ARG 93.A NH2 SER 74.A OG no hydrogen 2.592 N/A ARG 93.A NH2 GLU 78.A OE2 no hydrogen 2.641 N/A VAL 94.A N GLN 90.A O no hydrogen 3.030 N/A LEU 95.A N TRP 91.A O no hydrogen 2.641 N/A PHE 96.A N ILE 92.A O no hydrogen 2.687 N/A GLU 98.A N VAL 94.A O no hydrogen 2.931 N/A ILE 99.A N LEU 95.A O no hydrogen 3.078 N/A THR 100.A N PHE 96.A O no hydrogen 3.121 N/A THR 100.A OG1 PHE 96.A O no hydrogen 2.571 N/A THR 100.A OG1 TYR 136.A OH no hydrogen 2.389 N/A ARG 101.A N GLY 97.A O no hydrogen 3.143 N/A ARG 101.A NH1 GLU 98.A OE2 no hydrogen 2.545 N/A ILE 102.A N GLU 98.A O no hydrogen 2.983 N/A LEU 103.A N ILE 99.A O no hydrogen 3.060 N/A ASN 104.A N THR 100.A O no hydrogen 2.943 N/A HIS 105.A N ARG 101.A O no hydrogen 2.916 N/A ILE 106.A N ILE 102.A O no hydrogen 2.819 N/A MET 107.A N LEU 103.A O no hydrogen 3.152 N/A ALA 108.A N ASN 104.A O no hydrogen 2.646 N/A VAL 109.A N HIS 105.A O no hydrogen 2.759 N/A THR 110.A N ILE 106.A O no hydrogen 3.130 N/A THR 110.A OG1 ILE 106.A O no hydrogen 2.607 N/A THR 111.A N MET 107.A O no hydrogen 2.917 N/A THR 111.A OG1 MET 107.A O no hydrogen 3.181 N/A HIS 112.A N ALA 108.A O no hydrogen 3.003 N/A ALA 113.A N VAL 109.A O no hydrogen 3.127 N/A LEU 114.A N THR 110.A O no hydrogen 2.981 N/A ASP 115.A N THR 111.A O no hydrogen 3.262 N/A ILE 116.A N HIS 112.A O no hydrogen 3.033 N/A GLY 117.A N ALA 113.A O no hydrogen 2.610 N/A TRP 124.A N THR 120.A O no hydrogen 3.031 N/A MET 125.A N PRO 121.A O no hydrogen 3.026 N/A PHE 126.A N PHE 122.A O no hydrogen 2.779 N/A GLU 127.A N PHE 123.A O no hydrogen 3.433 N/A ARG 129.A N MET 125.A O no hydrogen 2.786 N/A GLU 130.A N PHE 126.A O no hydrogen 2.756 N/A LYS 131.A N GLU 127.A O no hydrogen 3.088 N/A MET 132.A N GLU 128.A O no hydrogen 3.044 N/A PHE 133.A N ARG 129.A O no hydrogen 2.871 N/A GLU 134.A N GLU 130.A O no hydrogen 3.183 N/A PHE 135.A N MET 132.A O no hydrogen 2.536 N/A TYR 136.A N MET 132.A O no hydrogen 3.228 N/A TYR 136.A OH THR 100.A OG1 no hydrogen 2.389 N/A GLU 137.A N PHE 133.A O no hydrogen 2.831 N/A ARG 138.A N GLU 134.A O no hydrogen 2.912 N/A ARG 138.A NH1 ASP 165.A OD2 no hydrogen 2.723 N/A VAL 139.A N PHE 135.A O no hydrogen 2.896 N/A VAL 139.A N TYR 136.A O no hydrogen 2.904 N/A SER 140.A N TYR 136.A O no hydrogen 2.581 N/A SER 140.A OG TYR 136.A O no hydrogen 2.935 N/A ALA 142.A N SER 140.A OG no hydrogen 2.981 N/A ARG 143.A NH2 GLU 130.A OE1 no hydrogen 2.515 N/A TYR 148.A OH GLN 156.A O no hydrogen 2.479 N/A ARG 150.A N GLY 153.A O no hydrogen 2.871 N/A ARG 150.A NE ALA 147.A O no hydrogen 3.443 N/A GLY 153.A N ARG 150.A O no hydrogen 3.199 N/A VAL 154.A N ILE 278.A O no hydrogen 3.106 N/A HIS 155.A N TYR 148.A O no hydrogen 2.828 N/A LEU 158.A N ASP 157.A OD1 no hydrogen 2.637 N/A ILE 166.A N LEU 162.A O no hydrogen 2.912 N/A TYR 167.A N ASP 164.A O no hydrogen 3.090 N/A GLU 168.A N ASP 164.A O no hydrogen 3.147 N/A PHE 169.A N ASP 165.A O no hydrogen 3.107 N/A SER 170.A OG ILE 166.A O no hydrogen 3.001 N/A SER 170.A OG TYR 167.A O no hydrogen 2.615 N/A LYS 171.A N TYR 167.A O no hydrogen 2.679 N/A LYS 171.A NZ ASN 172.A OD1 no hydrogen 3.043 N/A ASN 172.A N PHE 169.A O no hydrogen 2.867 N/A PHE 173.A N PHE 169.A O no hydrogen 2.744 N/A LEU 175.A N ASN 172.A O no hydrogen 2.773 N/A ARG 176.A NH2 GLU 179.A OE1 no hydrogen 3.540 N/A ILE 177.A N PHE 173.A O no hydrogen 3.061 N/A ASP 178.A N SER 174.A O no hydrogen 2.812 N/A GLU 179.A N LEU 175.A O no hydrogen 2.818 N/A GLU 181.A N ILE 177.A O no hydrogen 3.254 N/A GLU 182.A N ASP 178.A O no hydrogen 3.250 N/A MET 183.A N GLU 179.A O no hydrogen 3.485 N/A LEU 184.A N VAL 180.A O no hydrogen 2.944 N/A THR 185.A OG1 ASN 186.A OD1 no hydrogen 3.160 N/A THR 185.A OG1 TYR 249.A OH no hydrogen 3.270 N/A ASN 187.A N LEU 184.A O no hydrogen 2.635 N/A ARG 191.A N ASN 187.A O no hydrogen 3.433 N/A ARG 193.A N ILE 189.A O no hydrogen 3.357 N/A THR 194.A N TRP 190.A O no hydrogen 3.067 N/A THR 194.A N ARG 191.A O no hydrogen 3.006 N/A THR 194.A OG1 TRP 190.A O no hydrogen 2.837 N/A THR 194.A OG1 ARG 191.A O no hydrogen 3.274 N/A VAL 195.A N ARG 191.A O no hydrogen 2.460 N/A ILE 197.A N THR 194.A O no hydrogen 3.252 N/A ALA 205.A N THR 201.A O no hydrogen 3.202 N/A LEU 206.A N ALA 202.A O no hydrogen 3.291 N/A ASN 207.A N GLU 203.A O no hydrogen 3.019 N/A TYR 208.A N ASP 204.A O no hydrogen 2.921 N/A GLY 209.A N LEU 206.A O no hydrogen 3.050 N/A PHE 210.A N ALA 205.A O no hydrogen 3.001 N/A SER 211.A OG GLY 209.A O no hydrogen 3.353 N/A SER 211.A OG PHE 210.A O no hydrogen 2.745 N/A SER 211.A OG SER 211.A O no hydrogen 2.660 N/A LEU 215.A N GLY 212.A O no hydrogen 3.210 N/A ARG 216.A N GLY 212.A O no hydrogen 3.054 N/A ARG 216.A NH1 TRP 222.A O no hydrogen 3.267 N/A ARG 216.A NH2 GLU 258.A OE2 no hydrogen 2.680 N/A GLY 217.A N VAL 213.A O no hydrogen 2.448 N/A SER 218.A N LEU 215.A O no hydrogen 2.877 N/A SER 218.A OG VAL 200.A O no hydrogen 2.713 N/A SER 218.A OG MET 214.A O no hydrogen 3.435 N/A GLY 219.A N ARG 216.A O no hydrogen 2.984 N/A LEU 224.A N GLU 323.A OE2 no hydrogen 2.536 N/A ARG 225.A NE ASP 223.A OD1 no hydrogen 3.429 N/A ARG 225.A NE ASP 223.A OD2 no hydrogen 3.096 N/A ARG 225.A NH1 GLU 98.A OE1 no hydrogen 3.389 N/A ARG 225.A NH2 ASP 223.A OD2 no hydrogen 2.521 N/A LYS 226.A N ASP 223.A O no hydrogen 2.689 N/A LYS 226.A NZ PHE 238.A O no hydrogen 3.054 N/A THR 227.A N ASP 223.A O no hydrogen 2.891 N/A THR 227.A OG1 ASP 223.A O no hydrogen 3.124 N/A GLN 228.A N LEU 224.A O no hydrogen 2.860 N/A TYR 233.A N TYR 230.A O no hydrogen 3.407 N/A GLN 235.A N VAL 232.A O no hydrogen 2.879 N/A GLU 237.A N GLN 268.A OE1 no hydrogen 3.301 N/A ASP 239.A N GLN 261.A OE1 no hydrogen 3.103 N/A ILE 242.A N VAL 240.A O no hydrogen 3.221 N/A GLY 243.A N ARG 216.A O no hydrogen 3.072 N/A ARG 245.A NH2 ASP 196.A OD1 no hydrogen 2.890 N/A CYS 248.A N ILE 197.A O no hydrogen 3.114 N/A CYS 248.A SG ILE 197.A O no hydrogen 3.188 N/A CYS 248.A SG THR 375.A OG1 no hydrogen 3.616 N/A TYR 249.A OH THR 185.A O no hydrogen 2.508 N/A TYR 249.A OH THR 185.A OG1 no hydrogen 3.270 N/A ASP 250.A N ASP 247.A OD1 no hydrogen 2.762 N/A ARG 251.A N ASP 247.A O no hydrogen 3.048 N/A TYR 252.A N CYS 248.A O no hydrogen 3.029 N/A TYR 252.A OH GLU 181.A OE1 no hydrogen 2.699 N/A LEU 253.A N TYR 249.A O no hydrogen 3.001 N/A CYS 254.A N ASP 250.A O no hydrogen 3.017 N/A CYS 254.A SG PRO 241.A O no hydrogen 3.194 N/A CYS 254.A SG ASP 250.A O no hydrogen 3.476 N/A ARG 255.A N ARG 251.A O no hydrogen 2.907 N/A ARG 255.A NH1 GLY 374.A O no hydrogen 3.324 N/A VAL 256.A N TYR 252.A O no hydrogen 2.968 N/A GLU 257.A N LEU 253.A O no hydrogen 2.873 N/A GLU 258.A N CYS 254.A O no hydrogen 2.887 N/A MET 259.A N ARG 255.A O no hydrogen 3.100 N/A ARG 260.A N VAL 256.A O no hydrogen 3.039 N/A ARG 260.A NH1 ASP 178.A OD1 no hydrogen 2.791 N/A ARG 260.A NH2 ASP 178.A OD1 no hydrogen 2.420 N/A GLN 261.A N GLU 257.A O no hydrogen 2.760 N/A GLN 261.A NE2 GLU 257.A OE2 no hydrogen 2.986 N/A SER 262.A N GLU 258.A O no hydrogen 2.720 N/A SER 262.A OG GLU 258.A O no hydrogen 2.903 N/A SER 262.A OG MET 259.A O no hydrogen 2.673 N/A LEU 263.A N MET 259.A O no hydrogen 3.288 N/A ARG 264.A N ARG 260.A O no hydrogen 3.369 N/A ARG 264.A NH1 ASP 239.A OD2 no hydrogen 2.978 N/A ARG 264.A NH1 GLN 261.A OE1 no hydrogen 3.060 N/A ILE 265.A N GLN 261.A O no hydrogen 3.031 N/A ILE 266.A N SER 262.A O no hydrogen 2.743 N/A GLU 267.A N LEU 263.A O no hydrogen 2.987 N/A GLN 268.A N ARG 264.A O no hydrogen 3.358 N/A CYS 269.A N ILE 265.A O no hydrogen 2.987 N/A CYS 269.A SG ILE 265.A O no hydrogen 3.176 N/A LEU 270.A N ILE 266.A O no hydrogen 3.013 N/A ASN 271.A N GLU 267.A O no hydrogen 2.908 N/A ASN 271.A ND2 GLU 267.A OE1 no hydrogen 3.404 N/A LYS 272.A N GLN 268.A O no hydrogen 2.695 N/A LYS 272.A NZ GLN 235.A O no hydrogen 3.405 N/A LYS 279.A NZ HIS 155.A O no hydrogen 3.130 N/A VAL 280.A N GLY 152.A O no hydrogen 3.163 N/A LYS 284.A N ASP 282.A OD1 no hydrogen 3.334 N/A LYS 284.A NZ HIS 302.A NE2 no hydrogen 2.548 N/A VAL 285.A N ASP 282.A O no hydrogen 2.785 N/A SER 286.A N ASP 282.A O no hydrogen 2.859 N/A SER 286.A OG VAL 280.A O no hydrogen 2.477 N/A SER 286.A OG ASP 282.A O no hydrogen 3.183 N/A MET 293.A N LYS 289.A O no hydrogen 3.016 N/A LYS 294.A N ALA 291.A O no hydrogen 3.304 N/A THR 295.A N GLU 292.A O no hydrogen 3.049 N/A THR 295.A OG1 ALA 291.A O no hydrogen 2.822 N/A THR 295.A OG1 GLU 292.A O no hydrogen 3.518 N/A SER 296.A N GLU 292.A O no hydrogen 2.720 N/A SER 296.A OG GLU 292.A O no hydrogen 2.497 N/A SER 296.A OG SER 299.A OG no hydrogen 2.487 N/A SER 299.A OG SER 296.A OG no hydrogen 2.487 N/A LEU 300.A N SER 296.A O no hydrogen 3.105 N/A ILE 301.A N MET 297.A O no hydrogen 2.983 N/A HIS 302.A N GLU 298.A O no hydrogen 2.983 N/A HIS 303.A N SER 299.A O no hydrogen 2.763 N/A PHE 304.A N LEU 300.A O no hydrogen 2.664 N/A LYS 305.A N ILE 301.A O no hydrogen 2.887 N/A LEU 306.A N HIS 302.A O no hydrogen 3.026 N/A TYR 307.A N HIS 303.A O no hydrogen 3.116 N/A THR 308.A N PHE 304.A O no hydrogen 3.014 N/A THR 308.A OG1 PHE 304.A O no hydrogen 2.926 N/A THR 308.A OG1 LYS 305.A O no hydrogen 3.451 N/A GLU 309.A N LYS 305.A O no hydrogen 2.775 N/A GLY 310.A N LYS 305.A O no hydrogen 3.201 N/A GLY 316.A N SER 335.A O no hydrogen 2.874 N/A TYR 319.A OH GLU 328.A OE2 no hydrogen 3.305 N/A THR 320.A N VAL 331.A O no hydrogen 3.384 N/A ILE 322.A N PHE 329.A O no hydrogen 3.048 N/A GLU 323.A N TYR 230.A OH no hydrogen 2.887 N/A LYS 326.A NZ ASP 377.A O no hydrogen 2.767 N/A GLU 328.A N SER 211.A O no hydrogen 3.089 N/A GLY 330.A N LYS 347.A O no hydrogen 3.314 N/A VAL 331.A N THR 320.A O no hydrogen 3.242 N/A TYR 332.A N LYS 345.A O no hydrogen 2.893 N/A LEU 333.A N THR 318.A O no hydrogen 3.003 N/A SER 335.A N GLY 316.A O no hydrogen 2.806 N/A SER 335.A OG PRO 314.A O no hydrogen 3.404 N/A SER 335.A OG GLY 316.A O no hydrogen 3.029 N/A SER 338.A OG ARG 340.A O no hydrogen 3.029 N/A SER 339.A OG THR 50.A OG1 no hydrogen 2.850 N/A SER 339.A OG GLU 309.A O no hydrogen 2.653 N/A TYR 342.A N VAL 334.A O no hydrogen 3.190 N/A ARG 343.A N VAL 334.A O no hydrogen 3.366 N/A CYS 344.A SG GLU 43.A O no hydrogen 3.653 N/A LYS 345.A NZ GLU 43.A OE2 no hydrogen 3.350 N/A LYS 347.A N GLY 330.A O no hydrogen 2.610 N/A PHE 351.A N ALA 348.A O no hydrogen 3.123 N/A HIS 353.A NE2 PHE 210.A O no hydrogen 2.823 N/A LEU 354.A N GLY 350.A O no hydrogen 2.953 N/A ALA 355.A N PHE 351.A O no hydrogen 3.431 N/A GLY 356.A N ALA 352.A O no hydrogen 3.302 N/A LEU 357.A N LEU 354.A O no hydrogen 2.545 N/A ASP 358.A N ALA 355.A O no hydrogen 3.453 N/A MET 360.A N GLY 356.A O no hydrogen 2.769 N/A MET 360.A N LEU 357.A O no hydrogen 3.296 N/A SER 361.A N LEU 357.A O no hydrogen 2.836 N/A SER 361.A OG LEU 357.A O no hydrogen 2.709 N/A SER 361.A OG SER 361.A O no hydrogen 2.679 N/A LYS 362.A N MET 360.A O no hydrogen 3.059 N/A MET 365.A N ASP 368.A OD2 no hydrogen 3.279 N/A VAL 369.A N MET 365.A O no hydrogen 3.311 N/A VAL 369.A N LEU 366.A O no hydrogen 3.096 N/A VAL 370.A N LEU 366.A O no hydrogen 3.446 N/A ALA 371.A N ALA 367.A O no hydrogen 3.149 N/A ILE 372.A N ASP 368.A O no hydrogen 2.974 N/A ILE 373.A N VAL 369.A O no hydrogen 3.074 N/A GLY 374.A N VAL 370.A O no hydrogen 3.409 N/A THR 375.A N ALA 371.A O no hydrogen 3.169 N/A THR 375.A N ILE 372.A O no hydrogen 3.021 N/A THR 375.A OG1 ILE 372.A O no hydrogen 2.912 N/A GLN 376.A N ILE 373.A O no hydrogen 3.324 N/A ASP 377.A N GLY 374.A O no hydrogen 3.289 N/A GLU 382.A N VAL 379.A O no hydrogen 3.098 N/A ASP 384.A N PHE 380.A O no hydrogen 2.859 N/A ARG 385.A N GLY 381.A O no hydrogen 2.826 N/A