Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wha_K.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ GLN 4.A OE1 no hydrogen 3.385 N/A LEU 5.A N LYS 1.A O no hydrogen 2.885 N/A LEU 5.A N SER 2.A O no hydrogen 2.715 N/A LYS 6.A N SER 2.A O no hydrogen 2.860 N/A GLY 7.A N TYR 3.A O no hydrogen 2.662 N/A VAL 8.A N GLN 4.A O no hydrogen 3.038 N/A LYS 9.A N LEU 5.A O no hydrogen 3.035 N/A TRP 10.A N LYS 6.A O no hydrogen 3.187 N/A ILE 12.A N VAL 8.A O no hydrogen 3.144 N/A SER 13.A N LYS 9.A O no hydrogen 3.223 N/A LEU 14.A N TRP 10.A O no hydrogen 3.123 N/A TRP 15.A N LEU 11.A O no hydrogen 3.269 N/A GLN 16.A N ILE 12.A O no hydrogen 3.202 N/A ASN 17.A N SER 13.A O no hydrogen 3.126 N/A LEU 19.A N LEU 14.A O no hydrogen 2.960 N/A ASN 20.A ND2 ILE 177.A O no hydrogen 2.927 N/A LEU 23.A N LEU 157.A O no hydrogen 2.814 N/A THR 32.A OG1 GLY 30.A O no hydrogen 3.246 N/A ILE 33.A N GLY 30.A O no hydrogen 2.978 N/A GLN 34.A N THR 32.A O no hydrogen 2.659 N/A THR 35.A N LYS 31.A O no hydrogen 2.749 N/A THR 35.A OG1 THR 32.A O no hydrogen 2.871 N/A ILE 36.A N THR 32.A O no hydrogen 3.442 N/A PHE 38.A N GLN 34.A O no hydrogen 2.935 N/A LEU 39.A N THR 35.A O no hydrogen 2.927 N/A SER 40.A N ILE 36.A O no hydrogen 2.892 N/A SER 40.A N GLY 37.A O no hydrogen 3.195 N/A HIS 41.A N GLY 37.A O no hydrogen 2.891 N/A LEU 42.A N PHE 38.A O no hydrogen 2.991 N/A LYS 43.A N LEU 39.A O no hydrogen 3.008 N/A GLY 44.A N SER 40.A O no hydrogen 2.748 N/A GLY 46.A N GLY 44.A O no hydrogen 2.822 N/A VAL 53.A N VAL 105.A O no hydrogen 2.712 N/A ILE 54.A N VAL 129.A O no hydrogen 3.137 N/A SER 58.A OG LEU 381.A O no hydrogen 3.142 N/A THR 59.A OG1 PRO 56.A O no hydrogen 2.861 N/A LEU 60.A N PRO 56.A O no hydrogen 3.217 N/A SER 61.A OG SER 58.A O no hydrogen 2.674 N/A ASN 62.A ND2 ASN 384.A OD1 no hydrogen 2.941 N/A TRP 63.A N THR 59.A O no hydrogen 2.797 N/A PHE 64.A N LEU 60.A O no hydrogen 3.065 N/A ASN 65.A N SER 61.A O no hydrogen 2.945 N/A GLU 66.A N ASN 62.A O no hydrogen 2.910 N/A ILE 67.A N TRP 63.A O no hydrogen 2.919 N/A ALA 68.A N PHE 64.A O no hydrogen 2.934 N/A ARG 69.A N GLU 66.A O no hydrogen 2.989 N/A PHE 70.A N GLU 66.A O no hydrogen 2.762 N/A THR 71.A N ILE 67.A O no hydrogen 3.162 N/A THR 71.A OG1 ILE 67.A O no hydrogen 3.133 N/A ILE 77.A N ILE 104.A O no hydrogen 3.060 N/A TYR 79.A N ILE 106.A O no hydrogen 2.798 N/A GLN 85.A NE2 ASP 115.A OD2 no hydrogen 2.921 N/A ARG 86.A N LYS 83.A O no hydrogen 3.283 N/A LEU 89.A N GLN 85.A O no hydrogen 3.145 N/A ARG 90.A N ASP 87.A O no hydrogen 3.118 N/A ARG 91.A N ASP 87.A O no hydrogen 3.109 N/A PHE 102.A N GLY 99.A O no hydrogen 3.397 N/A ILE 104.A N ASN 75.A O no hydrogen 3.062 N/A VAL 105.A N TYR 51.A O no hydrogen 3.314 N/A ILE 106.A N ILE 77.A O no hydrogen 3.290 N/A THR 107.A N VAL 53.A O no hydrogen 2.864 N/A THR 107.A OG1 VAL 53.A O no hydrogen 3.428 N/A SER 108.A OG GLU 110.A OE1 no hydrogen 3.307 N/A GLU 110.A N GLU 110.A OE1 no hydrogen 2.514 N/A VAL 111.A N SER 108.A OG no hydrogen 3.264 N/A ALA 112.A N SER 108.A O no hydrogen 2.754 N/A MET 113.A N TYR 109.A O no hydrogen 3.128 N/A ASN 114.A N GLU 110.A O no hydrogen 2.600 N/A ASP 115.A N VAL 111.A O no hydrogen 3.040 N/A ARG 118.A N ASP 115.A O no hydrogen 3.025 N/A LEU 120.A N ALA 116.A O no hydrogen 2.586 N/A LEU 120.A N LYS 117.A O no hydrogen 2.880 N/A HIS 122.A N ILE 119.A O no hydrogen 3.182 N/A TRP 125.A N LYS 151.A O no hydrogen 3.260 N/A LYS 126.A N PRO 50.A O no hydrogen 2.912 N/A VAL 129.A N LEU 52.A O no hydrogen 3.227 N/A ILE 130.A N LEU 156.A O no hydrogen 3.356 N/A ASP 131.A N ILE 54.A O no hydrogen 3.000 N/A GLU 132.A N TYR 109.A OH no hydrogen 3.095 N/A GLY 133.A N LEU 158.A O no hydrogen 3.051 N/A ARG 135.A N GLU 132.A O no hydrogen 3.323 N/A LEU 136.A N GLY 133.A O no hydrogen 2.869 N/A LYS 137.A N HIS 134.A O no hydrogen 3.290 N/A LYS 137.A NZ GLU 169.A OE2 no hydrogen 3.297 N/A LYS 140.A N ASN 138.A OD1 no hydrogen 2.506 N/A CYS 141.A SG ASN 138.A O no hydrogen 3.657 N/A LEU 144.A N CYS 141.A O no hydrogen 2.897 N/A ARG 145.A N CYS 141.A O no hydrogen 3.411 N/A GLU 146.A N LYS 142.A O no hydrogen 2.994 N/A LEU 147.A N LEU 143.A O no hydrogen 2.696 N/A LEU 147.A N LEU 144.A O no hydrogen 3.083 N/A LYS 148.A N LEU 144.A O no hydrogen 3.219 N/A LYS 148.A N ARG 145.A O no hydrogen 3.335 N/A ASN 154.A ND2 LYS 126.A O no hydrogen 2.972 N/A LYS 155.A N ASN 20.A OD1 no hydrogen 3.215 N/A LEU 157.A N GLY 21.A O no hydrogen 3.285 N/A LEU 158.A N ILE 130.A O no hydrogen 3.060 N/A THR 159.A N LEU 23.A O no hydrogen 3.216 N/A GLN 164.A N GLU 169.A OE1 no hydrogen 3.175 N/A ASN 165.A N GLU 169.A OE1 no hydrogen 2.925 N/A ASN 165.A N GLU 169.A OE2 no hydrogen 3.228 N/A ASN 166.A N GLU 169.A OE1 no hydrogen 3.213 N/A SER 168.A N ASN 166.A OD1 no hydrogen 2.319 N/A SER 168.A OG ASN 166.A OD1 no hydrogen 3.054 N/A TRP 171.A N LEU 167.A O no hydrogen 3.028 N/A SER 172.A N SER 168.A O no hydrogen 2.905 N/A SER 172.A OG SER 168.A O no hydrogen 3.256 N/A LEU 173.A N GLU 169.A O no hydrogen 3.160 N/A LEU 174.A N LEU 170.A O no hydrogen 3.141 N/A ASN 175.A N TRP 171.A O no hydrogen 3.258 N/A PHE 176.A N SER 172.A O no hydrogen 3.315 N/A ILE 177.A N LEU 173.A O no hydrogen 2.727 N/A LEU 178.A N LEU 174.A O no hydrogen 2.621 N/A ILE 181.A N LEU 178.A O no hydrogen 2.912 N/A HIS 185.A N THR 183.A O no hydrogen 2.541 N/A HIS 185.A ND1 HIS 185.A O no hydrogen 2.870 N/A SER 194.A OG GLN 191.A O no hydrogen 2.519 N/A LEU 196.A N VAL 192.A O no hydrogen 2.882 N/A HIS 197.A N VAL 193.A O no hydrogen 3.201 N/A GLY 198.A N SER 194.A O no hydrogen 3.164 N/A GLY 198.A N LYS 195.A O no hydrogen 3.294 N/A LEU 200.A N LEU 196.A O no hydrogen 3.137 N/A ARG 201.A N HIS 197.A O no hydrogen 3.153 N/A PHE 203.A N LEU 200.A O no hydrogen 3.378 N/A ILE 204.A N LEU 200.A O no hydrogen 3.249 N/A LYS 209.A NZ HIS 411.A NE2 no hydrogen 2.935 N/A SER 215.A N GLU 213.A OE2 no hydrogen 3.275 N/A SER 215.A OG GLU 213.A O no hydrogen 3.290 N/A LYS 220.A N VAL 419.A O no hydrogen 3.281 N/A LYS 220.A NZ ARG 218.A O no hydrogen 3.161 N/A ILE 222.A N VAL 421.A O no hydrogen 3.176 N/A THR 229.A OG1 GLN 298.A O no hydrogen 2.597 N/A LYS 233.A N THR 229.A O no hydrogen 3.130 N/A LYS 234.A N ASP 230.A O no hydrogen 2.991 N/A PHE 235.A N HIS 231.A O no hydrogen 2.952 N/A GLN 236.A N GLN 232.A O no hydrogen 2.839 N/A GLU 237.A N LYS 233.A O no hydrogen 2.947 N/A HIS 238.A N LYS 234.A O no hydrogen 3.093 N/A LEU 239.A N PHE 235.A O no hydrogen 2.973 N/A VAL 240.A N GLN 236.A O no hydrogen 2.742 N/A ASN 241.A N GLU 237.A O no hydrogen 2.764 N/A THR 243.A OG1 ASN 242.A O no hydrogen 2.637 N/A ALA 246.A N THR 243.A O no hydrogen 3.287 N/A HIS 247.A N THR 243.A O no hydrogen 2.726 N/A LEU 248.A N LEU 244.A O no hydrogen 2.763 N/A GLU 250.A N HIS 247.A O no hydrogen 3.136 N/A ASN 251.A N LEU 248.A O no hydrogen 2.984 N/A ALA 252.A N LEU 248.A O no hydrogen 3.323 N/A GLN 256.A NE2 ALA 252.A O no hydrogen 3.121 N/A ASN 264.A N LEU 262.A O no hydrogen 3.055 N/A VAL 266.A N ASN 264.A O no hydrogen 2.548 N/A GLN 268.A N LEU 265.A O no hydrogen 2.739 N/A LEU 269.A N LEU 265.A O no hydrogen 2.550 N/A ASN 272.A N GLN 268.A O no hydrogen 2.865 N/A ASN 272.A ND2 GLN 232.A O no hydrogen 3.109 N/A CYS 273.A N LEU 269.A O no hydrogen 3.112 N/A CYS 273.A SG LEU 269.A O no hydrogen 3.117 N/A CYS 273.A SG SER 429.A OG no hydrogen 3.233 N/A ASN 274.A N ARG 270.A O no hydrogen 2.786 N/A ASN 274.A ND2 ARG 270.A O no hydrogen 2.582 N/A HIS 275.A N LYS 271.A O no hydrogen 3.106 N/A ASP 277.A N HIS 275.A ND1 no hydrogen 2.951 N/A LEU 278.A N HIS 275.A O no hydrogen 3.183 N/A LEU 279.A N PRO 276.A O no hydrogen 3.074 N/A GLN 280.A N PRO 276.A O no hydrogen 3.188 N/A GLN 280.A NE2 ASP 284.A OD2 no hydrogen 3.050 N/A GLY 281.A N ASP 277.A O no hydrogen 2.660 N/A GLN 282.A N LEU 279.A O no hydrogen 3.152 N/A ILE 283.A N LEU 279.A O no hydrogen 3.269 N/A ASP 284.A N GLN 280.A O no hydrogen 3.105 N/A SER 286.A OG ASP 284.A O no hydrogen 3.019 N/A GLU 293.A N PRO 290.A O no hydrogen 3.140 N/A GLY 297.A N GLU 294.A O no hydrogen 3.196 N/A GLN 298.A N ILE 295.A O no hydrogen 3.193 N/A CYS 299.A N VAL 296.A O no hydrogen 3.190 N/A CYS 299.A SG GLN 232.A OE1 no hydrogen 3.778 N/A CYS 299.A SG ASN 274.A O no hydrogen 3.158 N/A CYS 299.A SG TYR 394.A OH no hydrogen 3.797 N/A GLY 300.A N GLN 232.A OE1 no hydrogen 3.182 N/A LYS 301.A NZ CYS 273.A O no hydrogen 3.030 N/A LYS 301.A NZ GLU 431.A OE1 no hydrogen 3.370 N/A LYS 301.A NZ GLU 431.A OE2 no hydrogen 3.318 N/A ARG 303.A N CYS 299.A O no hydrogen 3.206 N/A ARG 303.A NH1 GLY 297.A O no hydrogen 3.028 N/A LEU 304.A N GLY 300.A O no hydrogen 3.138 N/A LEU 305.A N LYS 301.A O no hydrogen 3.149 N/A GLU 306.A N PHE 302.A O no hydrogen 2.925 N/A ARG 307.A N ARG 303.A O no hydrogen 3.210 N/A LEU 308.A N LEU 304.A O no hydrogen 3.274 N/A LEU 309.A N LEU 305.A O no hydrogen 2.912 N/A VAL 310.A N GLU 306.A O no hydrogen 2.946 N/A ARG 311.A N ARG 307.A O no hydrogen 3.073 N/A ARG 311.A NH1 ARG 307.A O no hydrogen 3.038 N/A LEU 312.A N LEU 308.A O no hydrogen 2.984 N/A PHE 313.A N LEU 309.A O no hydrogen 2.874 N/A ALA 314.A N VAL 310.A O no hydrogen 3.211 N/A ASN 316.A N LEU 312.A O no hydrogen 3.137 N/A LYS 318.A NZ PHE 362.A O no hydrogen 3.475 N/A ILE 321.A N PHE 372.A O no hydrogen 3.497 N/A PHE 322.A N ILE 392.A O no hydrogen 3.045 N/A SER 323.A OG TRP 325.A O no hydrogen 3.206 N/A SER 323.A OG ASP 395.A OD1 no hydrogen 3.492 N/A GLN 324.A N ASP 395.A OD2 no hydrogen 3.338 N/A ASP 330.A N THR 326.A O no hydrogen 3.176 N/A ILE 331.A N LYS 327.A O no hydrogen 2.954 N/A MET 332.A N LEU 328.A O no hydrogen 3.109 N/A ASP 333.A N LEU 329.A O no hydrogen 2.920 N/A TYR 334.A N ASP 330.A O no hydrogen 2.918 N/A TYR 334.A OH PRO 290.A O no hydrogen 2.875 N/A TYR 334.A OH GLU 338.A OE2 no hydrogen 3.024 N/A TYR 335.A N ILE 331.A O no hydrogen 2.936 N/A PHE 336.A N MET 332.A O no hydrogen 2.937 N/A SER 337.A N ASP 333.A O no hydrogen 2.885 N/A SER 337.A OG ASP 333.A O no hydrogen 3.391 N/A SER 337.A OG TYR 334.A O no hydrogen 2.989 N/A GLU 338.A N TYR 334.A O no hydrogen 3.105 N/A GLU 338.A N TYR 335.A O no hydrogen 3.274 N/A LYS 339.A NZ TYR 335.A OH no hydrogen 3.049 N/A GLY 340.A N PHE 336.A O no hydrogen 2.914 N/A PHE 341.A N PHE 336.A O no hydrogen 3.330 N/A ARG 345.A NH2 ASP 347.A OD2 no hydrogen 3.487 N/A ILE 346.A N LEU 373.A O no hydrogen 3.406 N/A ARG 355.A N LYS 351.A O no hydrogen 3.339 N/A ARG 355.A NH1 ALA 378.A O no hydrogen 2.819 N/A ARG 356.A N LEU 352.A O no hydrogen 3.026 N/A ARG 356.A NE ASP 353.A OD1 no hydrogen 3.066 N/A ARG 356.A NH2 ASP 353.A OD1 no hydrogen 3.516 N/A ARG 357.A N ASP 353.A O no hydrogen 3.401 N/A ARG 357.A NH2 GLU 354.A O no hydrogen 3.251 N/A GLN 358.A N GLU 354.A O no hydrogen 3.342 N/A ILE 359.A N ARG 355.A O no hydrogen 3.234 N/A LYS 360.A N ARG 356.A O no hydrogen 3.200 N/A ASP 361.A N ARG 357.A O no hydrogen 2.904 N/A ASP 361.A N GLN 358.A O no hydrogen 3.186 N/A PHE 362.A N GLN 358.A O no hydrogen 2.579 N/A SER 363.A N ILE 359.A O no hydrogen 2.420 N/A SER 363.A OG ILE 359.A O no hydrogen 2.823 N/A ASP 364.A N ASP 361.A O no hydrogen 2.704 N/A SER 367.A N ASP 364.A OD2 no hydrogen 2.882 N/A SER 367.A OG ASP 364.A OD2 no hydrogen 2.544 N/A LEU 373.A N CYS 344.A O no hydrogen 2.809 N/A SER 375.A OG SER 323.A O no hydrogen 3.377 N/A SER 375.A OG TRP 325.A O no hydrogen 3.492 N/A THR 376.A N SER 323.A O no hydrogen 3.149 N/A THR 376.A OG1 SER 323.A O no hydrogen 2.870 N/A THR 376.A OG1 GLN 324.A OE1 no hydrogen 2.940 N/A GLY 379.A N SER 375.A O no hydrogen 3.144 N/A GLY 380.A N THR 376.A O no hydrogen 2.765 N/A ALA 388.A N LEU 385.A O no hydrogen 2.689 N/A ASP 389.A N LYS 318.A O no hydrogen 2.811 N/A THR 390.A N LYS 318.A O no hydrogen 3.197 N/A THR 390.A OG1 LYS 318.A O no hydrogen 3.052 N/A CYS 391.A N HIS 420.A O no hydrogen 3.340 N/A CYS 391.A SG MET 407.A O no hydrogen 4.014 N/A ILE 392.A N LEU 320.A O no hydrogen 2.553 N/A LEU 393.A N TYR 422.A O no hydrogen 3.264 N/A TYR 394.A N PHE 322.A O no hydrogen 3.028 N/A TYR 394.A OH ASN 274.A O no hydrogen 2.479 N/A SER 396.A OG GLN 324.A OE1 no hydrogen 2.893 N/A SER 396.A OG ASP 395.A O no hydrogen 2.844 N/A ASN 399.A N ASP 397.A O no hydrogen 2.603 N/A ASN 399.A ND2 GLN 164.A OE1 no hydrogen 2.880 N/A GLN 401.A N ASN 399.A OD1 no hydrogen 3.102 N/A MET 402.A N ASN 399.A O no hydrogen 3.146 N/A ASP 403.A N PRO 400.A O no hydrogen 2.981 N/A LEU 404.A N PRO 400.A O no hydrogen 3.481 N/A ALA 406.A N ASP 403.A O no hydrogen 2.803 N/A MET 407.A N ASP 403.A O no hydrogen 3.148 N/A ASP 408.A N LEU 404.A O no hydrogen 3.170 N/A ARG 409.A N ALA 406.A O no hydrogen 2.752 N/A ARG 409.A NE ILE 383.A O no hydrogen 3.390 N/A ARG 409.A NH1 GLY 380.A O no hydrogen 2.979 N/A HIS 411.A N MET 407.A O no hydrogen 3.214 N/A ILE 413.A N GLY 28.A O no hydrogen 3.450 N/A GLN 415.A N ARG 412.A O no hydrogen 3.013 N/A GLN 415.A NE2 ALA 388.A O no hydrogen 3.445 N/A GLN 415.A NE2 LYS 417.A O no hydrogen 2.901 N/A VAL 421.A N LYS 220.A O no hydrogen 2.909 N/A TYR 422.A N CYS 391.A O no hydrogen 3.060 N/A ARG 423.A N ILE 222.A O no hydrogen 3.253 N/A SER 425.A OG THR 426.A O no hydrogen 3.459 N/A THR 426.A N GLU 431.A OE1 no hydrogen 3.029 N/A THR 426.A OG1 GLU 431.A OE1 no hydrogen 2.878 N/A ALA 427.A N ALA 226.A O no hydrogen 2.798 N/A THR 432.A N SER 429.A O no hydrogen 3.098 N/A THR 432.A OG1 SER 429.A O no hydrogen 2.685 N/A VAL 434.A N ILE 430.A O no hydrogen 3.231 N/A LEU 435.A N GLU 431.A O no hydrogen 2.828 N/A LYS 436.A N THR 432.A O no hydrogen 2.800 N/A ARG 437.A N ARG 433.A O no hydrogen 3.019 N/A ALA 438.A N VAL 434.A O no hydrogen 2.914 N/A TYR 439.A N LEU 435.A O no hydrogen 2.917 N/A SER 440.A N LYS 436.A O no hydrogen 2.912 N/A LYS 441.A N ARG 437.A O no hydrogen 2.946 N/A LYS 441.A NZ TRP 398.A O no hydrogen 2.659 N/A LEU 442.A N ALA 438.A O no hydrogen 2.903 N/A LYS 443.A N TYR 439.A O no hydrogen 2.743 N/A LEU 444.A N SER 440.A O no hydrogen 3.032 N/A GLU 445.A N LYS 441.A O no hydrogen 3.014 N/A HIS 446.A N LEU 442.A O no hydrogen 2.530 N/A HIS 446.A N LYS 443.A O no hydrogen 3.030 N/A VAL 447.A N LYS 443.A O no hydrogen 3.014 N/A VAL 448.A N LEU 444.A O no hydrogen 2.935 N/A ILE 449.A N GLU 445.A O no hydrogen 2.907 N/A GLY 450.A N HIS 446.A O no hydrogen 2.907 N/A GLN 451.A N VAL 447.A O no hydrogen 3.159 N/A GLY 452.A N VAL 448.A O no hydrogen 2.908 N/A