Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1s6q_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG SER 3.A O no hydrogen 2.571 N/A VAL 10.A N ASP 121.A OD2 no hydrogen 3.343 N/A MET 16.A N LYS 13.A O no hydrogen 2.969 N/A GLY 18.A N ASP 17.A OD2 no hydrogen 2.805 N/A VAL 21.A N ASN 57.A O no hydrogen 2.757 N/A LYS 30.A NZ GLU 404.A OE1 no hydrogen 3.218 N/A ILE 31.A N THR 27.A O no hydrogen 3.072 N/A LYS 32.A N GLU 28.A O no hydrogen 3.431 N/A LYS 32.A NZ GLU 28.A OE2 no hydrogen 2.965 N/A ALA 33.A N GLU 29.A O no hydrogen 2.990 N/A LEU 34.A N LYS 30.A O no hydrogen 3.136 N/A VAL 35.A N ILE 31.A O no hydrogen 2.727 N/A GLU 36.A N LYS 32.A O no hydrogen 2.913 N/A ILE 37.A N ALA 33.A O no hydrogen 2.885 N/A CYS 38.A N LEU 34.A O no hydrogen 2.622 N/A THR 39.A N VAL 35.A O no hydrogen 3.272 N/A THR 39.A N GLU 36.A O no hydrogen 2.874 N/A THR 39.A OG1 VAL 35.A O no hydrogen 2.719 N/A GLU 40.A N GLU 36.A O no hydrogen 3.386 N/A GLU 40.A N ILE 37.A O no hydrogen 3.227 N/A MET 41.A N ILE 37.A O no hydrogen 3.006 N/A GLU 42.A N CYS 38.A O no hydrogen 2.835 N/A LYS 43.A N THR 39.A O no hydrogen 3.211 N/A GLU 44.A N GLU 40.A O no hydrogen 2.785 N/A GLY 45.A N MET 41.A O no hydrogen 2.905 N/A LYS 46.A N MET 41.A O no hydrogen 2.778 N/A LYS 46.A NZ GLU 44.A OE1 no hydrogen 2.683 N/A SER 48.A N GLN 145.A O no hydrogen 2.837 N/A ILE 50.A N ARG 143.A O no hydrogen 3.010 N/A GLU 53.A N GLU 53.A OE1 no hydrogen 2.437 N/A ASN 54.A N GLY 51.A O no hydrogen 3.417 N/A ASN 54.A ND2 LYS 126.A O no hydrogen 2.866 N/A TYR 56.A N ASN 54.A OD1 no hydrogen 3.001 N/A TYR 56.A OH ASP 17.A OD2 no hydrogen 3.149 N/A ASN 57.A N PRO 19.A O no hydrogen 2.779 N/A ASN 57.A ND2 VAL 21.A O no hydrogen 2.416 N/A THR 58.A N ALA 129.A O no hydrogen 2.911 N/A PHE 61.A N LEU 74.A O no hydrogen 3.115 N/A ILE 63.A N ARG 72.A O no hydrogen 3.001 N/A LYS 65.A NZ GLN 407.A O no hydrogen 3.497 N/A SER 68.A N LYS 65.A O no hydrogen 3.338 N/A SER 68.A OG LYS 65.A O no hydrogen 3.381 N/A ARG 72.A N ILE 63.A O no hydrogen 2.716 N/A LYS 73.A NZ TYR 146.A OH no hydrogen 2.951 N/A LEU 74.A N PHE 61.A O no hydrogen 3.032 N/A ASP 76.A N PRO 59.A O no hydrogen 2.809 N/A ARG 78.A N ASP 76.A OD1 no hydrogen 3.403 N/A ARG 78.A NE ASP 76.A OD1 no hydrogen 2.450 N/A ARG 78.A NE ASP 76.A OD2 no hydrogen 3.406 N/A ARG 78.A NH1 PRO 412.A O no hydrogen 2.914 N/A ARG 78.A NH2 ASP 76.A OD1 no hydrogen 3.183 N/A ARG 78.A NH2 ASP 76.A OD2 no hydrogen 2.845 N/A ASN 81.A N PHE 77.A O no hydrogen 3.115 N/A ASN 81.A ND2 GLY 152.A O no hydrogen 3.476 N/A LYS 82.A N ARG 78.A O no hydrogen 3.531 N/A LYS 82.A NZ GLU 79.A OE1 no hydrogen 3.555 N/A ARG 83.A N GLU 79.A O no hydrogen 3.108 N/A ARG 83.A NE ASP 17.A O no hydrogen 2.367 N/A ARG 83.A NH1 GLU 79.A OE2 no hydrogen 2.617 N/A ARG 83.A NH2 ASP 17.A O no hydrogen 3.301 N/A THR 84.A N LEU 80.A O no hydrogen 2.655 N/A THR 84.A OG1 LEU 80.A O no hydrogen 2.500 N/A THR 84.A OG1 ASN 81.A O no hydrogen 3.545 N/A PHE 87.A N THR 84.A O no hydrogen 2.587 N/A TRP 88.A N GLN 85.A O no hydrogen 2.862 N/A GLU 89.A N ASP 86.A O no hydrogen 3.431 N/A GLY 93.A N VAL 90.A O no hydrogen 2.931 N/A LEU 100.A N PRO 97.A O no hydrogen 3.296 N/A LYS 102.A N GLY 99.A O no hydrogen 2.939 N/A LYS 103.A NZ ASP 177.A O no hydrogen 2.802 N/A SER 105.A N SER 191.A O no hydrogen 3.127 N/A SER 105.A OG LYS 104.A O no hydrogen 2.549 N/A SER 105.A OG HIS 235.A ND1 no hydrogen 2.683 N/A VAL 106.A N LEU 234.A O no hydrogen 2.779 N/A THR 107.A N VAL 189.A O no hydrogen 3.047 N/A THR 107.A OG1 HIS 198.A NE2 no hydrogen 2.645 N/A LEU 109.A N LEU 187.A O no hydrogen 3.009 N/A ASP 110.A N ASP 218.A OD2 no hydrogen 3.130 N/A VAL 111.A N ASP 185.A O no hydrogen 2.757 N/A ALA 114.A N VAL 111.A O no hydrogen 2.812 N/A TYR 115.A OH MET 184.A O no hydrogen 2.230 N/A PHE 116.A N ASP 113.A O no hydrogen 3.258 N/A SER 117.A N TYR 115.A O no hydrogen 2.375 N/A SER 117.A OG ALA 114.A O no hydrogen 2.838 N/A VAL 118.A N TYR 115.A O no hydrogen 2.892 N/A LEU 120.A N ASN 147.A O no hydrogen 3.051 N/A PHE 124.A N ASP 121.A O no hydrogen 3.057 N/A ARG 125.A NE LEU 120.A O no hydrogen 2.878 N/A ARG 125.A NH1 ASN 147.A OD1 no hydrogen 3.147 N/A ARG 125.A NH2 LEU 120.A O no hydrogen 2.722 N/A TYR 127.A N PHE 124.A O no hydrogen 2.963 N/A THR 128.A N ARG 125.A O no hydrogen 2.656 N/A THR 128.A OG1 ARG 125.A O no hydrogen 3.427 N/A ALA 129.A N LYS 126.A O no hydrogen 3.416 N/A PHE 130.A N TYR 144.A O no hydrogen 2.867 N/A THR 131.A OG1 ASN 57.A OD1 no hydrogen 3.222 N/A ILE 132.A N ILE 142.A O no hydrogen 3.011 N/A SER 134.A OG ILE 135.A O no hydrogen 3.338 N/A SER 134.A OG THR 139.A O no hydrogen 3.266 N/A ASN 137.A N SER 134.A O no hydrogen 2.947 N/A GLU 138.A N ILE 135.A O no hydrogen 3.303 N/A THR 139.A N SER 134.A OG no hydrogen 3.016 N/A ILE 142.A N ILE 132.A O no hydrogen 2.992 N/A ARG 143.A NH1 TYR 56.A O no hydrogen 3.189 N/A ARG 143.A NH1 THR 131.A OG1 no hydrogen 2.689 N/A ARG 143.A NH2 TYR 56.A O no hydrogen 2.761 N/A TYR 144.A N PHE 130.A O no hydrogen 3.074 N/A GLN 145.A N SER 48.A O no hydrogen 2.790 N/A TYR 146.A N THR 128.A OG1 no hydrogen 2.729 N/A ASN 147.A N LYS 46.A O no hydrogen 2.714 N/A ASN 147.A ND2 LYS 46.A O no hydrogen 3.219 N/A ASN 147.A ND2 SER 48.A OG no hydrogen 3.084 N/A LEU 149.A N VAL 118.A O no hydrogen 3.136 N/A TRP 153.A NE1 THR 84.A OG1 no hydrogen 2.833 N/A LYS 154.A N ASN 81.A OD1 no hydrogen 2.929 N/A SER 156.A N TRP 153.A O no hydrogen 2.782 N/A SER 156.A OG PRO 150.A O no hydrogen 2.380 N/A SER 156.A OG TRP 153.A O no hydrogen 3.448 N/A ILE 159.A N GLY 155.A O no hydrogen 3.135 N/A ILE 159.A N SER 156.A O no hydrogen 3.147 N/A PHE 160.A N SER 156.A O no hydrogen 3.065 N/A GLN 161.A N PRO 157.A O no hydrogen 2.966 N/A GLN 161.A NE2 LEU 92.A O no hydrogen 2.654 N/A GLN 161.A NE2 ALA 158.A O no hydrogen 3.126 N/A MET 164.A N PHE 160.A O no hydrogen 2.761 N/A MET 164.A N GLN 161.A O no hydrogen 2.386 N/A THR 165.A N GLN 161.A O no hydrogen 2.925 N/A THR 165.A OG1 SER 162.A O no hydrogen 3.388 N/A LYS 166.A N SER 162.A O no hydrogen 3.213 N/A ILE 167.A N SER 163.A O no hydrogen 3.400 N/A LEU 168.A N MET 164.A O no hydrogen 2.894 N/A GLU 169.A N THR 165.A O no hydrogen 3.224 N/A LYS 172.A N LEU 168.A O no hydrogen 3.081 N/A LYS 173.A NZ GLU 169.A OE2 no hydrogen 2.587 N/A ASN 175.A ND2 PHE 171.A O no hydrogen 3.298 N/A ILE 178.A N ASN 175.A O no hydrogen 3.272 N/A VAL 179.A N GLY 190.A O no hydrogen 3.165 N/A TYR 181.A N TYR 188.A O no hydrogen 3.087 N/A TYR 181.A OH GLY 384.A O no hydrogen 3.416 N/A TYR 183.A N ASP 186.A O no hydrogen 3.074 N/A ASP 186.A N TYR 183.A O no hydrogen 3.393 N/A LEU 187.A N LEU 109.A O no hydrogen 3.065 N/A TYR 188.A N TYR 181.A O no hydrogen 2.674 N/A TYR 188.A OH ASP 186.A OD2 no hydrogen 3.366 N/A VAL 189.A N THR 107.A O no hydrogen 2.751 N/A GLY 190.A N VAL 179.A O no hydrogen 2.939 N/A SER 191.A N SER 105.A O no hydrogen 3.154 N/A SER 191.A OG HIS 198.A ND1 no hydrogen 2.361 N/A GLN 197.A N GLU 194.A O no hydrogen 2.697 N/A HIS 198.A N GLU 194.A O no hydrogen 3.089 N/A HIS 198.A ND1 SER 191.A OG no hydrogen 2.361 N/A HIS 198.A NE2 THR 107.A OG1 no hydrogen 2.645 N/A ARG 199.A N ILE 195.A O no hydrogen 2.769 N/A THR 200.A N GLN 197.A O no hydrogen 2.820 N/A THR 200.A OG1 GLY 196.A O no hydrogen 3.551 N/A LYS 201.A N GLN 197.A O no hydrogen 2.601 N/A ILE 202.A N HIS 198.A O no hydrogen 2.685 N/A GLU 203.A N ARG 199.A O no hydrogen 3.430 N/A GLU 204.A N THR 200.A O no hydrogen 2.483 N/A LEU 205.A N LYS 201.A O no hydrogen 2.785 N/A ARG 206.A N ILE 202.A O no hydrogen 2.561 N/A ARG 206.A NE THR 216.A O no hydrogen 3.360 N/A GLN 207.A N GLU 203.A O no hydrogen 3.250 N/A HIS 208.A N GLU 204.A O no hydrogen 3.299 N/A LEU 209.A N LEU 205.A O no hydrogen 3.049 N/A LEU 210.A N ARG 206.A O no hydrogen 3.202 N/A ARG 211.A N GLN 207.A O no hydrogen 2.717 N/A ARG 211.A N HIS 208.A O no hydrogen 2.970 N/A TRP 212.A N HIS 208.A O no hydrogen 3.125 N/A TRP 212.A N LEU 209.A O no hydrogen 2.986 N/A GLY 213.A N LEU 210.A O no hydrogen 3.343 N/A THR 216.A OG1 ARG 206.A O no hydrogen 3.532 N/A LEU 234.A N VAL 106.A O no hydrogen 2.806 N/A HIS 235.A ND1 LYS 104.A O no hydrogen 3.067 N/A LYS 238.A N HIS 235.A O no hydrogen 2.946 N/A TRP 239.A N PRO 236.A O no hydrogen 3.217 N/A THR 240.A N LYS 238.A O no hydrogen 2.495 N/A THR 240.A OG1 LYS 238.A O no hydrogen 3.396 N/A GLN 242.A NE2 THR 351.A OG1 no hydrogen 3.141 N/A THR 253.A N ASP 256.A OD2 no hydrogen 3.337 N/A THR 253.A OG1 ASP 256.A OD2 no hydrogen 2.404 N/A VAL 254.A N GLU 291.A O no hydrogen 2.720 N/A ASN 255.A N LEU 289.A O no hydrogen 3.297 N/A ASP 256.A N THR 253.A OG1 no hydrogen 3.161 N/A ILE 257.A N THR 253.A O no hydrogen 2.930 N/A GLN 258.A N VAL 254.A O no hydrogen 2.927 N/A LYS 259.A N ASN 255.A O no hydrogen 3.113 N/A LEU 260.A N ASP 256.A O no hydrogen 3.102 N/A VAL 261.A N ILE 257.A O no hydrogen 2.973 N/A GLY 262.A N GLN 258.A O no hydrogen 3.007 N/A LYS 263.A N LYS 259.A O no hydrogen 2.790 N/A LEU 264.A N LEU 260.A O no hydrogen 3.163 N/A ASN 265.A N VAL 261.A O no hydrogen 3.182 N/A TRP 266.A N GLY 262.A O no hydrogen 2.984 N/A ALA 267.A N LYS 263.A O no hydrogen 2.765 N/A SER 268.A N LEU 264.A O no hydrogen 3.021 N/A SER 268.A OG ASN 265.A O no hydrogen 2.528 N/A GLN 269.A N TRP 266.A O no hydrogen 3.369 N/A ILE 270.A N ALA 267.A O no hydrogen 2.814 N/A TYR 271.A N ALA 267.A O no hydrogen 3.177 N/A LYS 275.A N ASN 306.A OD1 no hydrogen 3.468 N/A LEU 279.A N VAL 276.A O no hydrogen 2.419 N/A SER 280.A N VAL 276.A O no hydrogen 3.032 N/A SER 280.A OG ARG 277.A O no hydrogen 2.866 N/A LYS 281.A N ARG 277.A O no hydrogen 2.507 N/A LEU 282.A N LEU 279.A O no hydrogen 2.823 N/A LEU 283.A N SER 280.A O no hydrogen 2.463 N/A THR 286.A OG1 THR 286.A O no hydrogen 2.403 N/A LYS 287.A NZ GLU 291.A OE2 no hydrogen 2.678 N/A ILE 293.A N TRP 252.A O no hydrogen 2.722 N/A GLU 298.A N GLN 278.A OE1 no hydrogen 2.451 N/A ALA 299.A N THR 296.A O no hydrogen 2.753 N/A GLU 302.A N GLU 298.A O no hydrogen 2.511 N/A GLU 302.A N ALA 299.A O no hydrogen 2.816 N/A LEU 303.A N ALA 299.A O no hydrogen 2.729 N/A ALA 304.A N GLU 300.A O no hydrogen 3.287 N/A GLU 305.A N LEU 301.A O no hydrogen 2.837 N/A ASN 306.A N GLU 302.A O no hydrogen 2.860 N/A ASN 306.A ND2 LYS 275.A O no hydrogen 2.688 N/A ARG 307.A NH2 LEU 246.A O no hydrogen 3.564 N/A GLU 308.A N GLU 305.A O no hydrogen 3.030 N/A ILE 309.A N GLU 305.A O no hydrogen 3.252 N/A LEU 310.A N ASN 306.A O no hydrogen 2.779 N/A LYS 311.A N GLU 308.A O no hydrogen 2.473 N/A ASP 320.A N GLN 343.A OE1 no hydrogen 3.101 N/A SER 322.A N ASP 320.A OD1 no hydrogen 2.864 N/A SER 322.A OG ASP 320.A OD1 no hydrogen 2.444 N/A LYS 323.A N ASP 320.A O no hydrogen 3.251 N/A LYS 323.A NZ GLU 344.A OE1 no hydrogen 2.269 N/A ILE 326.A N TYR 342.A O no hydrogen 2.762 N/A ALA 327.A N LYS 388.A O no hydrogen 3.112 N/A GLU 328.A N GLN 340.A O no hydrogen 2.671 N/A GLN 330.A N THR 338.A O no hydrogen 2.983 N/A GLN 330.A NE2 THR 338.A O no hydrogen 2.370 N/A GLN 330.A NE2 GLN 340.A OE1 no hydrogen 3.304 N/A LYS 331.A NZ ASP 364.A OD1 no hydrogen 3.190 N/A LYS 331.A NZ ASP 364.A OD2 no hydrogen 3.248 N/A GLN 332.A N GLN 336.A O no hydrogen 2.743 N/A GLN 332.A NE2 THR 338.A OG1 no hydrogen 2.723 N/A GLN 332.A NE2 LYS 424.A O no hydrogen 3.056 N/A TRP 337.A N TYR 354.A O no hydrogen 2.949 N/A TRP 337.A NE1 GLN 367.A OE1 no hydrogen 3.043 N/A THR 338.A N GLN 330.A O no hydrogen 3.046 N/A TYR 339.A OH GLU 378.A OE1 no hydrogen 2.445 N/A GLN 340.A N GLU 328.A O no hydrogen 2.915 N/A GLN 340.A NE2 GLN 330.A OE1 no hydrogen 2.799 N/A ILE 341.A N LYS 350.A O no hydrogen 3.132 N/A TYR 342.A N ILE 326.A O no hydrogen 2.740 N/A GLN 343.A NE2 ASP 320.A O no hydrogen 2.333 N/A LYS 347.A N GLU 344.A O no hydrogen 3.270 N/A ASN 348.A ND2 TYR 427.A OH no hydrogen 3.390 N/A LEU 349.A N ILE 341.A O no hydrogen 3.090 N/A TYR 354.A N TRP 337.A O no hydrogen 2.596 N/A TYR 354.A OH GLU 370.A OE1 no hydrogen 2.854 N/A ARG 356.A N GLY 335.A O no hydrogen 2.947 N/A HIS 361.A N GLY 359.A O no hydrogen 2.236 N/A THR 362.A N GLY 359.A O no hydrogen 2.793 N/A THR 362.A OG1 HIS 361.A ND1 no hydrogen 3.403 N/A LYS 366.A N ASN 363.A OD1 no hydrogen 2.693 N/A LYS 366.A NZ THR 362.A OG1 no hydrogen 2.611 N/A GLN 367.A N ASN 363.A O no hydrogen 3.449 N/A GLN 367.A N ASP 364.A O no hydrogen 2.278 N/A LEU 368.A N ASP 364.A O no hydrogen 3.177 N/A THR 369.A N VAL 365.A O no hydrogen 3.002 N/A THR 369.A OG1 VAL 365.A O no hydrogen 2.793 N/A GLU 370.A N LYS 366.A O no hydrogen 2.954 N/A ALA 371.A N GLN 367.A O no hydrogen 2.523 N/A VAL 372.A N LEU 368.A O no hydrogen 2.718 N/A GLN 373.A N THR 369.A O no hydrogen 2.938 N/A GLN 373.A NE2 THR 369.A O no hydrogen 3.436 N/A GLN 373.A NE2 TYR 405.A O no hydrogen 3.157 N/A LYS 374.A N GLU 370.A O no hydrogen 2.769 N/A LYS 374.A NZ GLU 378.A OE2 no hydrogen 3.208 N/A ILE 375.A N ALA 371.A O no hydrogen 2.841 N/A THR 376.A N VAL 372.A O no hydrogen 2.796 N/A THR 376.A OG1 VAL 372.A O no hydrogen 3.079 N/A THR 377.A N GLN 373.A O no hydrogen 3.224 N/A THR 377.A OG1 GLN 373.A O no hydrogen 3.075 N/A GLU 378.A N LYS 374.A O no hydrogen 3.068 N/A SER 379.A N ILE 375.A O no hydrogen 3.013 N/A SER 379.A OG LYS 385.A O no hydrogen 3.029 N/A ILE 380.A N THR 376.A O no hydrogen 2.919 N/A VAL 381.A N THR 377.A O no hydrogen 2.808 N/A ILE 382.A N GLU 378.A O no hydrogen 2.937 N/A ILE 382.A N SER 379.A O no hydrogen 3.121 N/A TRP 383.A N SER 379.A O no hydrogen 2.764 N/A GLY 384.A N ILE 380.A O no hydrogen 2.729 N/A LYS 385.A NZ TYR 319.A OH no hydrogen 2.889 N/A THR 386.A N TYR 183.A OH no hydrogen 3.454 N/A LYS 388.A N LEU 325.A O no hydrogen 2.740 N/A LYS 388.A NZ GLU 415.A OE1 no hydrogen 2.429 N/A PHE 389.A N GLU 413.A O no hydrogen 2.884 N/A LYS 390.A N ALA 327.A O no hydrogen 2.982 N/A LYS 390.A NZ GLU 415.A OE2 no hydrogen 3.488 N/A LEU 391.A N GLU 415.A O no hydrogen 2.880 N/A GLN 394.A NE2 GLU 396.A OE1 no hydrogen 3.397 N/A LYS 395.A NZ GLU 399.A OE1 no hydrogen 2.511 N/A LYS 395.A NZ GLU 399.A OE2 no hydrogen 2.729 N/A TRP 398.A N GLN 394.A O no hydrogen 3.037 N/A GLU 399.A N LYS 395.A O no hydrogen 2.927 N/A THR 400.A N GLU 396.A O no hydrogen 2.878 N/A THR 400.A N THR 397.A O no hydrogen 2.587 N/A THR 400.A OG1 GLU 396.A O no hydrogen 3.031 N/A TRP 401.A N THR 397.A O no hydrogen 3.114 N/A TRP 402.A N TRP 398.A O no hydrogen 2.843 N/A THR 403.A OG1 ALA 62.A O no hydrogen 3.565 N/A GLU 404.A N TRP 401.A O no hydrogen 2.563 N/A TRP 406.A N THR 403.A O no hydrogen 3.219 N/A GLN 407.A N GLN 373.A OE1 no hydrogen 3.120 N/A ALA 408.A N GLN 373.A OE1 no hydrogen 2.998 N/A THR 409.A OG1 ASP 186.A OD1 no hydrogen 3.408 N/A THR 409.A OG1 ASP 186.A OD2 no hydrogen 3.485 N/A GLU 415.A N PHE 389.A O no hydrogen 2.933 N/A VAL 417.A N LEU 391.A O no hydrogen 2.820 N/A TRP 426.A N LEU 422.A O no hydrogen 2.822 N/A TYR 427.A N VAL 423.A O no hydrogen 2.971 N/A