Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i6d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N ASP 223.A OD2 no hydrogen 2.745 N/A HIS 3.A ND1 ASP 221.A O no hydrogen 2.578 N/A VAL 4.A N GLU 32.A O no hydrogen 3.056 N/A VAL 5.A N SER 224.A O no hydrogen 3.293 N/A ILE 6.A N THR 34.A O no hydrogen 2.675 N/A ILE 7.A N ILE 226.A O no hydrogen 2.960 N/A GLY 8.A N VAL 36.A O no hydrogen 2.842 N/A GLY 9.A N GLU 37.A OE1 no hydrogen 2.510 N/A THR 12.A OG1 CYS 397.A O no hydrogen 3.544 N/A LEU 14.A N GLY 10.A O no hydrogen 2.979 N/A ALA 15.A N ILE 11.A O no hydrogen 2.651 N/A ALA 16.A N THR 12.A O no hydrogen 2.895 N/A ALA 17.A N GLY 13.A O no hydrogen 2.696 N/A PHE 18.A N LEU 14.A O no hydrogen 2.698 N/A TYR 19.A N ALA 15.A O no hydrogen 3.093 N/A TYR 19.A OH ASP 76.A OD2 no hydrogen 3.277 N/A GLU 21.A N ALA 17.A O no hydrogen 3.205 N/A LYS 22.A N PHE 18.A O no hydrogen 3.220 N/A GLU 23.A N MET 20.A O no hydrogen 3.053 N/A ILE 24.A N MET 20.A O no hydrogen 2.926 N/A LYS 25.A N GLU 21.A O no hydrogen 3.038 N/A LEU 31.A N LEU 29.A O no hydrogen 2.664 N/A GLU 32.A N LYS 2.A O no hydrogen 2.790 N/A THR 34.A N VAL 4.A O no hydrogen 2.956 N/A THR 34.A OG1 HIS 3.A NE2 no hydrogen 3.405 N/A LEU 35.A N LYS 193.A O no hydrogen 3.096 N/A VAL 36.A N ILE 6.A O no hydrogen 2.810 N/A GLU 37.A N TYR 195.A O no hydrogen 2.675 N/A SER 39.A N GLU 37.A OE2 no hydrogen 2.926 N/A SER 39.A OG GLU 37.A OE2 no hydrogen 2.925 N/A SER 39.A OG ARG 41.A O no hydrogen 2.939 N/A ARG 41.A NH1 GLY 44.A O no hydrogen 3.023 N/A ARG 41.A NH2 ILE 46.A O no hydrogen 2.721 N/A GLY 43.A N GLY 9.A O no hydrogen 2.818 N/A LYS 45.A NZ SER 356.A O no hydrogen 2.929 N/A ILE 46.A N GLY 43.A O no hydrogen 2.939 N/A THR 48.A N GLN 179.A OE1 no hydrogen 2.901 N/A THR 48.A OG1 GLU 57.A OE1 no hydrogen 2.444 N/A THR 48.A OG1 GLU 57.A OE2 no hydrogen 3.178 N/A VAL 49.A N ILE 56.A O no hydrogen 3.160 N/A LYS 50.A NZ THR 176.A O no hydrogen 3.306 N/A LYS 51.A NZ THR 348.A O no hydrogen 3.482 N/A TYR 54.A N LYS 51.A O no hydrogen 2.949 N/A TYR 54.A OH GLU 346.A OE1 no hydrogen 2.559 N/A ILE 56.A N VAL 49.A O no hydrogen 3.031 N/A ARG 58.A N GLN 47.A O no hydrogen 3.186 N/A ARG 58.A NH2 VAL 350.A O no hydrogen 2.932 N/A SER 62.A OG ASP 61.A OD1 no hydrogen 2.862 N/A PHE 63.A N GLN 172.A O no hydrogen 3.016 N/A GLU 65.A N GLN 170.A O no hydrogen 3.214 N/A LYS 67.A NZ ASP 396.A OD2 no hydrogen 3.334 N/A SER 69.A OG PRO 395.A O no hydrogen 3.160 N/A ALA 70.A N LYS 67.A O no hydrogen 3.004 N/A GLN 72.A N LYS 68.A O no hydrogen 2.808 N/A GLN 72.A NE2 ASP 76.A OD2 no hydrogen 2.620 N/A LEU 73.A N SER 69.A O no hydrogen 3.316 N/A VAL 74.A N ALA 70.A O no hydrogen 3.335 N/A LYS 75.A N PRO 71.A O no hydrogen 3.120 N/A ASP 76.A N GLN 72.A O no hydrogen 3.109 N/A LEU 77.A N LEU 73.A O no hydrogen 2.775 N/A GLY 78.A N LYS 75.A O no hydrogen 2.369 N/A LEU 83.A N GLU 80.A O no hydrogen 3.108 N/A VAL 84.A N THR 173.A O no hydrogen 3.209 N/A ASN 86.A N PHE 171.A O no hydrogen 3.007 N/A ASN 86.A ND2 PHE 171.A O no hydrogen 2.969 N/A ALA 87.A N LYS 295.A O no hydrogen 2.872 N/A TYR 92.A N GLY 275.A O no hydrogen 3.100 N/A VAL 93.A N HIS 100.A O no hydrogen 2.951 N/A LEU 94.A N VAL 277.A O no hydrogen 2.886 N/A VAL 95.A N THR 98.A O no hydrogen 3.312 N/A THR 98.A OG1 HIS 100.A NE2 no hydrogen 3.279 N/A HIS 100.A N VAL 93.A O no hydrogen 3.403 N/A ALA 111.A N LYS 107.A O no hydrogen 2.891 N/A MET 112.A N ALA 108.A O no hydrogen 3.105 N/A PHE 114.A N ALA 110.A O no hydrogen 3.196 N/A ILE 115.A N ALA 111.A O no hydrogen 2.883 N/A LEU 116.A N MET 112.A O no hydrogen 2.690 N/A SER 119.A N PHE 168.A O no hydrogen 2.806 N/A SER 119.A OG THR 121.A O no hydrogen 2.892 N/A ASP 123.A N THR 121.A OG1 no hydrogen 3.114 N/A LEU 127.A N LEU 159.A O no hydrogen 3.046 N/A GLY 128.A N ILE 156.A O no hydrogen 2.860 N/A GLU 129.A N SER 126.A OG no hydrogen 3.037 N/A PHE 130.A N SER 126.A O no hydrogen 2.892 N/A PHE 131.A N LEU 127.A O no hydrogen 2.914 N/A ARG 132.A N GLY 128.A O no hydrogen 2.917 N/A ARG 132.A NH2 ASP 157.A OD1 no hydrogen 2.269 N/A ARG 133.A N GLU 129.A O no hydrogen 3.086 N/A ARG 134.A N PHE 131.A O no hydrogen 2.727 N/A ARG 134.A NE PHE 130.A O no hydrogen 3.015 N/A ARG 134.A NH1 ALA 118.A O no hydrogen 3.391 N/A VAL 135.A N PHE 131.A O no hydrogen 2.901 N/A VAL 140.A N GLY 136.A O no hydrogen 3.229 N/A GLU 141.A N ASP 137.A O no hydrogen 2.924 N/A ASN 142.A N GLU 138.A O no hydrogen 2.911 N/A ASN 142.A ND2 GLU 138.A OE1 no hydrogen 3.189 N/A LEU 143.A N VAL 139.A O no hydrogen 2.851 N/A ILE 144.A N VAL 139.A O no hydrogen 3.453 N/A GLU 145.A N VAL 140.A O no hydrogen 2.654 N/A LEU 147.A N LEU 143.A O no hydrogen 3.330 N/A LEU 148.A N ILE 144.A O no hydrogen 2.973 N/A SER 149.A N GLU 145.A O no hydrogen 3.082 N/A GLY 150.A N PRO 146.A O no hydrogen 3.252 N/A GLY 150.A N LEU 147.A O no hydrogen 2.746 N/A ILE 151.A N LEU 148.A O no hydrogen 2.966 N/A ALA 153.A N SER 149.A O no hydrogen 2.862 N/A ASP 157.A N ASP 155.A OD1 no hydrogen 2.559 N/A LYS 158.A N ASP 155.A O no hydrogen 2.794 N/A LEU 159.A N ASP 155.A O no hydrogen 2.949 N/A SER 160.A N TYR 360.A O no hydrogen 2.773 N/A SER 160.A OG ASP 124.A OD1 no hydrogen 2.910 N/A SER 160.A OG ASP 124.A OD2 no hydrogen 2.754 N/A SER 160.A OG SER 163.A OG no hydrogen 3.066 N/A LEU 161.A N GLN 125.A O no hydrogen 2.769 N/A MET 162.A N ASP 124.A OD1 no hydrogen 2.944 N/A SER 163.A N SER 160.A OG no hydrogen 2.874 N/A SER 163.A OG SER 160.A OG no hydrogen 3.066 N/A THR 164.A N SER 160.A O no hydrogen 3.186 N/A THR 164.A OG1 SER 160.A O no hydrogen 2.540 N/A THR 164.A OG1 LEU 161.A O no hydrogen 3.507 N/A PHE 165.A N LEU 161.A O no hydrogen 2.901 N/A GLN 167.A N GLN 167.A OE1 no hydrogen 2.559 N/A PHE 168.A N PHE 165.A O no hydrogen 3.074 N/A TYR 169.A N PRO 166.A O no hydrogen 3.067 N/A TYR 169.A OH ASP 123.A O no hydrogen 2.546 N/A GLN 172.A N PHE 63.A O no hydrogen 2.985 N/A THR 173.A N VAL 84.A O no hydrogen 3.286 N/A SER 175.A N LEU 82.A O no hydrogen 2.995 N/A SER 175.A OG LEU 82.A O no hydrogen 3.413 N/A GLY 177.A N LEU 174.A O no hydrogen 2.518 N/A LEU 178.A N GLU 57.A OE2 no hydrogen 2.772 N/A GLN 179.A N THR 48.A OG1 no hydrogen 2.964 N/A GLN 179.A NE2 GLU 183.A OE1 no hydrogen 2.715 N/A THR 180.A N GLY 177.A O no hydrogen 2.956 N/A THR 180.A OG1 GLY 177.A O no hydrogen 3.133 N/A LEU 181.A N LEU 178.A O no hydrogen 2.846 N/A VAL 182.A N GLN 179.A O no hydrogen 3.142 N/A GLU 183.A N GLN 179.A O no hydrogen 3.150 N/A GLU 184.A N THR 180.A O no hydrogen 2.795 N/A ILE 185.A N VAL 182.A O no hydrogen 3.182 N/A GLU 186.A N VAL 182.A O no hydrogen 3.243 N/A LYS 187.A N GLU 183.A O no hydrogen 3.154 N/A GLN 188.A N GLU 184.A O no hydrogen 3.225 N/A LYS 190.A N GLU 21.A OE2 no hydrogen 3.083 N/A LYS 190.A NZ LYS 187.A O no hydrogen 3.107 N/A THR 192.A OG1 GLU 21.A OE1 no hydrogen 2.681 N/A LYS 193.A N LEU 33.A O no hydrogen 3.255 N/A TYR 195.A N LEU 35.A O no hydrogen 2.828 N/A LYS 196.A NZ GLU 186.A OE1 no hydrogen 2.973 N/A LYS 196.A NZ GLU 186.A OE2 no hydrogen 2.645 N/A GLY 197.A N SER 39.A O no hydrogen 3.043 N/A THR 198.A N GLU 37.A O no hydrogen 2.911 N/A THR 198.A OG1 LYS 196.A O no hydrogen 3.095 N/A THR 201.A N GLU 213.A O no hydrogen 2.771 N/A THR 201.A OG1 GLU 213.A O no hydrogen 3.222 N/A LYS 202.A N GLU 213.A O no hydrogen 3.364 N/A LEU 203.A N MET 237.A O no hydrogen 2.962 N/A SER 204.A N SER 211.A O no hydrogen 2.799 N/A SER 206.A N CYS 209.A O no hydrogen 2.695 N/A CYS 209.A SG ASP 223.A OD1 no hydrogen 3.476 N/A TYR 210.A N ALA 222.A O no hydrogen 2.764 N/A TYR 210.A OH PRO 380.A O no hydrogen 2.689 N/A SER 211.A N SER 204.A O no hydrogen 2.706 N/A LEU 212.A N LEU 220.A O no hydrogen 2.915 N/A GLU 213.A N LYS 202.A O no hydrogen 2.897 N/A LEU 214.A N VAL 218.A O no hydrogen 2.951 N/A VAL 218.A N ASN 216.A OD1 no hydrogen 3.082 N/A LEU 220.A N LEU 212.A O no hydrogen 3.066 N/A ALA 222.A N TYR 210.A O no hydrogen 3.146 N/A ASP 223.A N HIS 3.A O no hydrogen 2.909 N/A SER 224.A OG GLY 381.A O no hydrogen 2.722 N/A VAL 225.A N GLY 381.A O no hydrogen 2.986 N/A ILE 226.A N VAL 5.A O no hydrogen 3.160 N/A VAL 227.A N TYR 383.A O no hydrogen 2.624 N/A THR 228.A N ILE 7.A O no hydrogen 2.802 N/A THR 228.A OG1 ILE 7.A O no hydrogen 2.624 N/A HIS 231.A N SER 388.A OG no hydrogen 2.929 N/A HIS 231.A NE2 SER 252.A OG no hydrogen 2.788 N/A ALA 234.A N PRO 230.A O no hydrogen 3.047 N/A ALA 235.A N HIS 231.A O no hydrogen 3.009 N/A GLY 236.A N ALA 233.A O no hydrogen 2.952 N/A MET 237.A N ALA 234.A O no hydrogen 2.862 N/A LEU 241.A N LEU 238.A O no hydrogen 3.250 N/A ILE 244.A N LEU 241.A O no hydrogen 3.030 N/A SER 245.A N PRO 242.A O no hydrogen 3.140 N/A SER 245.A OG PRO 242.A O no hydrogen 3.047 N/A HIS 246.A N ALA 243.A O no hydrogen 3.081 N/A HIS 246.A NE2 GLU 370.A OE1 no hydrogen 3.243 N/A LYS 248.A N ILE 244.A O no hydrogen 3.165 N/A ASN 249.A N SER 245.A O no hydrogen 3.050 N/A SER 252.A OG HIS 231.A NE2 no hydrogen 2.788 N/A THR 253.A N MET 357.A O no hydrogen 3.008 N/A THR 253.A OG1 ALA 153.A O no hydrogen 2.601 N/A SER 254.A N GLU 317.A OE1 no hydrogen 2.685 N/A SER 254.A OG GLU 317.A OE1 no hydrogen 2.806 N/A SER 254.A OG HIS 354.A O no hydrogen 2.280 N/A VAL 255.A N TRP 353.A O no hydrogen 2.943 N/A ALA 256.A N VAL 311.A O no hydrogen 2.879 N/A ASN 257.A N THR 351.A O no hydrogen 3.043 N/A ASN 257.A ND2 GLU 57.A O no hydrogen 3.532 N/A ASN 257.A ND2 TYR 310.A OH no hydrogen 3.364 N/A VAL 258.A N ALA 309.A O no hydrogen 2.990 N/A ALA 259.A N CYS 349.A O no hydrogen 2.903 N/A LEU 260.A N LEU 307.A O no hydrogen 2.964 N/A GLY 261.A N MET 347.A O no hydrogen 2.789 N/A PHE 262.A N THR 305.A O no hydrogen 2.846 N/A SER 266.A OG GLU 264.A O no hydrogen 3.225 N/A THR 274.A N GLN 90.A O no hydrogen 2.765 N/A PHE 276.A N CYS 289.A O no hydrogen 2.870 N/A VAL 277.A N TYR 92.A O no hydrogen 3.152 N/A ILE 278.A N THR 287.A O no hydrogen 2.956 N/A SER 279.A N LEU 94.A O no hydrogen 2.946 N/A SER 279.A OG GLU 141.A O no hydrogen 3.304 N/A SER 279.A OG ASN 142.A OD1 no hydrogen 3.047 N/A ASN 281.A ND2 ASN 142.A OD1 no hydrogen 3.255 N/A SER 282.A OG VAL 95.A O no hydrogen 2.675 N/A ALA 285.A N ASP 334.A OD2 no hydrogen 2.624 N/A THR 287.A N TYR 310.A O no hydrogen 2.644 N/A CYS 289.A N PHE 276.A O no hydrogen 2.911 N/A CYS 289.A SG ARG 308.A O no hydrogen 3.803 N/A THR 290.A N ARG 308.A O no hydrogen 2.766 N/A TRP 291.A N THR 274.A O no hydrogen 2.662 N/A TRP 291.A NE1 ASN 293.A OD1 no hydrogen 2.965 N/A THR 292.A OG1 LEU 306.A O no hydrogen 3.157 N/A LYS 294.A NZ GLU 272.A OE1 no hydrogen 3.156 N/A LYS 295.A N TRP 291.A O no hydrogen 3.404 N/A TRP 296.A N THR 292.A O no hydrogen 2.571 N/A ALA 299.A N TRP 296.A O no hydrogen 3.005 N/A ALA 300.A N PRO 297.A O no hydrogen 3.239 N/A LYS 304.A N PRO 301.A O no hydrogen 2.892 N/A LYS 304.A NZ GLU 346.A OE2 no hydrogen 2.749 N/A THR 305.A N PHE 262.A O no hydrogen 2.732 N/A THR 305.A OG1 ASN 293.A OD1 no hydrogen 3.403 N/A LEU 306.A N ASN 293.A OD1 no hydrogen 2.681 N/A LEU 307.A N LEU 260.A O no hydrogen 2.866 N/A ARG 308.A N THR 290.A O no hydrogen 2.972 N/A ARG 308.A NH2 GLY 59.A O no hydrogen 2.632 N/A ALA 309.A N VAL 258.A O no hydrogen 3.064 N/A TYR 310.A N ALA 288.A O no hydrogen 3.114 N/A VAL 311.A N ALA 256.A O no hydrogen 2.957 N/A LYS 313.A N ASP 316.A O no hydrogen 3.461 N/A LYS 313.A NZ PHE 284.A O no hydrogen 3.491 N/A VAL 320.A N GLU 317.A O no hydrogen 3.422 N/A ASP 321.A N SER 318.A O no hydrogen 3.044 N/A ASN 325.A ND2 SER 323.A OG no hydrogen 2.912 N/A ILE 327.A N SER 323.A O no hydrogen 2.884 N/A ILE 328.A N ASP 324.A O no hydrogen 2.661 N/A ASN 329.A N ASN 325.A O no hydrogen 2.783 N/A ILE 330.A N ASP 326.A O no hydrogen 2.842 N/A VAL 331.A N ILE 327.A O no hydrogen 2.818 N/A LEU 332.A N ILE 328.A O no hydrogen 3.501 N/A GLU 333.A N ASN 329.A O no hydrogen 2.814 N/A ASP 334.A N ILE 330.A O no hydrogen 3.133 N/A LEU 335.A N VAL 331.A O no hydrogen 2.575 N/A LYS 336.A N LEU 332.A O no hydrogen 2.776 N/A LYS 337.A N ASP 334.A O no hydrogen 2.952 N/A VAL 338.A N LEU 335.A O no hydrogen 3.288 N/A MET 339.A N LYS 336.A O no hydrogen 3.473 N/A ASN 342.A N GLY 265.A O no hydrogen 2.725 N/A GLU 346.A N GLY 261.A O no hydrogen 2.614 N/A MET 347.A N GLY 261.A O no hydrogen 3.445 N/A CYS 349.A N ALA 259.A O no hydrogen 3.268 N/A CYS 349.A SG VAL 350.A O no hydrogen 3.592 N/A ARG 352.A NH1 LEU 322.A O no hydrogen 3.262 N/A ARG 352.A NH2 LEU 322.A O no hydrogen 3.154 N/A ARG 352.A NH2 ASP 324.A OD1 no hydrogen 3.027 N/A TRP 353.A N VAL 255.A O no hydrogen 2.956 N/A TRP 353.A NE1 ARG 58.A O no hydrogen 3.290 N/A MET 357.A N THR 253.A O no hydrogen 3.315 N/A GLN 359.A N HIS 251.A O no hydrogen 2.750 N/A GLN 359.A NE2 TYR 152.A O no hydrogen 2.657 N/A GLN 359.A NE2 MET 357.A O no hydrogen 3.410 N/A GLN 359.A NE2 PRO 358.A O no hydrogen 3.509 N/A TYR 360.A OH ALA 387.A O no hydrogen 2.773 N/A VAL 362.A N LYS 158.A O no hydrogen 3.199 N/A GLY 363.A N ASP 124.A OD2 no hydrogen 2.366 N/A HIS 364.A N HIS 361.A O no hydrogen 2.821 N/A HIS 364.A NE2 PHE 389.A O no hydrogen 2.799 N/A ARG 367.A N GLY 363.A O no hydrogen 3.124 N/A ARG 367.A NH1 VAL 362.A O no hydrogen 3.161 N/A ARG 367.A NH2 VAL 362.A O no hydrogen 3.111 N/A ILE 368.A N HIS 364.A O no hydrogen 2.997 N/A LYS 369.A N LYS 365.A O no hydrogen 2.952 N/A GLU 370.A N GLN 366.A O no hydrogen 2.956 N/A LEU 371.A N ARG 367.A O no hydrogen 3.049 N/A ARG 372.A N ILE 368.A O no hydrogen 2.919 N/A GLU 373.A N LYS 369.A O no hydrogen 2.796 N/A ALA 374.A N GLU 370.A O no hydrogen 2.652 N/A LEU 375.A N LEU 371.A O no hydrogen 2.878 N/A ALA 376.A N ARG 372.A O no hydrogen 2.826 N/A SER 377.A N GLU 373.A O no hydrogen 3.033 N/A SER 377.A OG ALA 374.A O no hydrogen 3.480 N/A ALA 378.A N ALA 374.A O no hydrogen 2.961 N/A TYR 379.A N LEU 375.A O no hydrogen 2.798 N/A VAL 382.A N TYR 379.A O no hydrogen 3.006 N/A TYR 383.A N VAL 225.A O no hydrogen 2.765 N/A THR 385.A N VAL 227.A O no hydrogen 3.147 N/A THR 385.A OG1 GLN 400.A O no hydrogen 3.560 N/A PHE 389.A N GLY 386.A O no hydrogen 2.893 N/A GLY 391.A N TYR 360.A OH no hydrogen 2.651 N/A CYS 397.A N GLY 393.A O no hydrogen 2.916 N/A CYS 397.A SG GLY 391.A O no hydrogen 3.745 N/A CYS 397.A SG VAL 392.A O no hydrogen 3.739 N/A CYS 397.A SG GLY 393.A O no hydrogen 3.476 N/A ILE 398.A N ILE 394.A O no hydrogen 2.995 N/A ASP 399.A N PRO 395.A O no hydrogen 3.271 N/A ASP 399.A N ASP 399.A OD2 no hydrogen 2.291 N/A GLN 400.A N ASP 396.A O no hydrogen 3.065 N/A GLN 400.A NE2 GLY 386.A O no hydrogen 3.503 N/A GLY 401.A N CYS 397.A O no hydrogen 3.038 N/A LYS 402.A N ILE 398.A O no hydrogen 2.897 N/A ALA 403.A N ASP 399.A O no hydrogen 2.479 N/A ALA 404.A N GLN 400.A O no hydrogen 3.039 N/A VAL 405.A N GLY 401.A O no hydrogen 3.105 N/A SER 406.A N LYS 402.A O no hydrogen 3.008 N/A ASP 407.A N ALA 403.A O no hydrogen 2.886 N/A ALA 408.A N ALA 404.A O no hydrogen 2.901 N/A LEU 409.A N VAL 405.A O no hydrogen 3.075 N/A THR 410.A N SER 406.A O no hydrogen 2.994 N/A THR 410.A OG1 SER 406.A O no hydrogen 3.269 N/A TYR 411.A N ASP 407.A O no hydrogen 2.952 N/A LEU 412.A N ALA 408.A O no hydrogen 2.920 N/A PHE 413.A N LEU 409.A O no hydrogen 2.688 N/A