Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ue8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH GLY 236.A O no hydrogen 2.780 N/A ARG 5.A NH1 ASP 207.A O no hydrogen 2.687 N/A ARG 5.A NH2 ASP 207.A O no hydrogen 3.221 N/A PHE 6.A N TYR 3.A O no hydrogen 2.981 N/A ILE 7.A N ALA 4.A O no hydrogen 3.311 N/A THR 8.A N MET 110.A O no hydrogen 3.196 N/A SER 11.A N THR 8.A OG1 no hydrogen 3.203 N/A ALA 12.A N THR 8.A O no hydrogen 3.276 N/A ALA 13.A N ALA 9.A O no hydrogen 3.056 N/A ARG 14.A N SER 11.A O no hydrogen 2.999 N/A ASN 27.A N ASN 25.A OD1 no hydrogen 3.029 N/A ASN 27.A ND2 ASN 25.A OD1 no hydrogen 3.541 N/A MET 28.A N ASN 25.A O no hydrogen 3.367 N/A PHE 29.A N PRO 26.A O no hydrogen 3.263 N/A LYS 32.A NZ ASN 27.A O no hydrogen 3.187 N/A LYS 32.A NZ PHE 29.A O no hydrogen 2.886 N/A ALA 34.A N PHE 46.A O no hydrogen 3.007 N/A ILE 36.A N ILE 44.A O no hydrogen 3.211 N/A ILE 44.A N ILE 36.A O no hydrogen 2.925 N/A PHE 46.A N ALA 34.A O no hydrogen 2.837 N/A MET 51.A N GLY 47.A O no hydrogen 2.749 N/A LYS 52.A N GLU 48.A O no hydrogen 2.970 N/A LYS 52.A NZ GLU 49.A OE2 no hydrogen 2.992 N/A ARG 53.A N GLU 49.A O no hydrogen 3.131 N/A ARG 53.A NH1 GLU 65.A OE2 no hydrogen 2.962 N/A ARG 53.A NH2 GLU 65.A OE1 no hydrogen 3.351 N/A ALA 54.A N MET 50.A O no hydrogen 2.815 N/A LEU 55.A N MET 51.A O no hydrogen 2.819 N/A GLN 56.A N LYS 52.A O no hydrogen 3.162 N/A GLN 56.A N ARG 53.A O no hydrogen 3.074 N/A GLN 56.A NE2 PRO 24.A O no hydrogen 2.681 N/A TYR 57.A N GLN 56.A OE1 no hydrogen 3.257 N/A SER 60.A OG LEU 276.A O no hydrogen 2.624 N/A ILE 63.A N GLN 283.A OE1 no hydrogen 2.717 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.624 N/A LEU 66.A N ILE 63.A O no hydrogen 2.983 N/A LEU 67.A N ILE 63.A O no hydrogen 2.995 N/A SER 68.A N PRO 64.A O no hydrogen 3.007 N/A SER 68.A OG GLU 65.A O no hydrogen 3.042 N/A TRP 69.A N GLU 65.A O no hydrogen 3.109 N/A LEU 70.A N LEU 66.A O no hydrogen 3.046 N/A LYS 71.A N LEU 67.A O no hydrogen 2.935 N/A GLN 72.A N SER 68.A O no hydrogen 2.927 N/A LEU 73.A N TRP 69.A O no hydrogen 3.123 N/A GLN 74.A N LEU 70.A O no hydrogen 2.756 N/A ILE 75.A N LYS 71.A O no hydrogen 3.079 N/A LYS 76.A N GLN 72.A O no hydrogen 2.829 N/A HIS 78.A N GLN 74.A O no hydrogen 2.753 N/A ASN 79.A N ILE 75.A O no hydrogen 2.588 N/A ASN 79.A ND2 ASN 79.A O no hydrogen 2.878 N/A ILE 83.A N PRO 80.A O no hydrogen 3.273 N/A TYR 85.A N THR 82.A O no hydrogen 3.173 N/A TYR 85.A OH VAL 234.A O no hydrogen 2.474 N/A GLN 89.A N PRO 86.A O no hydrogen 3.098 N/A GLY 90.A N PRO 87.A O no hydrogen 2.920 N/A GLN 91.A N PRO 86.A O no hydrogen 3.371 N/A GLN 91.A N PRO 87.A O no hydrogen 3.291 N/A GLN 91.A NE2 TYR 85.A O no hydrogen 2.732 N/A MET 92.A N THR 82.A O no hydrogen 2.996 N/A ASP 93.A N GLY 259.A O no hydrogen 2.791 N/A CYS 95.A N LEU 257.A O no hydrogen 2.803 N/A CYS 95.A SG VAL 96.A O no hydrogen 3.919 N/A VAL 96.A N ALA 61.A O no hydrogen 2.761 N/A THR 97.A N GLY 255.A O no hydrogen 2.657 N/A THR 97.A OG1 GLY 99.A O no hydrogen 2.739 N/A SER 98.A N GLN 102.A OE1 no hydrogen 2.783 N/A SER 98.A OG GLN 102.A OE1 no hydrogen 3.342 N/A GLN 101.A NE2 GLY 127.A O no hydrogen 3.669 N/A GLN 102.A N GLY 99.A O no hydrogen 3.104 N/A GLN 102.A NE2 THR 275.A OG1 no hydrogen 3.218 N/A LEU 104.A N SER 100.A O no hydrogen 3.123 N/A CYS 105.A N GLN 101.A O no hydrogen 2.946 N/A CYS 105.A SG GLU 109.A OE1 no hydrogen 3.861 N/A LYS 106.A N GLN 102.A O no hydrogen 3.071 N/A VAL 107.A N GLY 103.A O no hydrogen 3.077 N/A PHE 108.A N LEU 104.A O no hydrogen 2.884 N/A GLU 109.A N CYS 105.A O no hydrogen 2.745 N/A MET 110.A N LYS 106.A O no hydrogen 2.840 N/A ILE 111.A N PHE 108.A O no hydrogen 3.130 N/A ILE 112.A N PHE 108.A O no hydrogen 3.012 N/A ASN 113.A N ASP 116.A OD2 no hydrogen 2.858 N/A ASN 113.A ND2 ASP 116.A OD2 no hydrogen 3.258 N/A GLY 115.A N GLY 136.A O no hydrogen 2.835 N/A ASP 116.A N ASN 113.A O no hydrogen 3.111 N/A ASN 117.A N ASN 172.A OD1 no hydrogen 3.252 N/A ASN 117.A ND2 ASN 172.A O no hydrogen 2.835 N/A ASN 117.A ND2 ASN 172.A OD1 no hydrogen 2.967 N/A VAL 118.A N ASN 138.A O no hydrogen 2.746 N/A LEU 119.A N PHE 176.A O no hydrogen 2.873 N/A GLU 122.A N ASN 141.A OD1 no hydrogen 2.733 N/A ALA 124.A N PHE 370.A O no hydrogen 3.269 N/A SER 126.A OG ALA 369.A O no hydrogen 3.404 N/A THR 128.A OG1 TYR 125.A O no hydrogen 3.423 N/A LEU 129.A N TYR 125.A O no hydrogen 3.043 N/A GLN 130.A N SER 126.A O no hydrogen 2.813 N/A SER 131.A N GLY 127.A O no hydrogen 3.015 N/A LEU 132.A N THR 128.A O no hydrogen 3.004 N/A HIS 133.A N LEU 129.A O no hydrogen 2.947 N/A LEU 135.A N LEU 132.A O no hydrogen 3.240 N/A GLY 136.A N HIS 133.A O no hydrogen 3.423 N/A CYS 137.A SG LEU 132.A O no hydrogen 3.423 N/A ASN 138.A N ASP 116.A O no hydrogen 2.787 N/A ASN 138.A ND2 ASP 116.A O no hydrogen 3.685 N/A ASN 138.A ND2 ASN 117.A OD1 no hydrogen 3.492 N/A ILE 140.A N VAL 118.A O no hydrogen 2.810 N/A VAL 142.A N LEU 120.A O no hydrogen 2.810 N/A ALA 143.A N SER 153.A OG no hydrogen 2.892 N/A SER 147.A N ASP 145.A OD1 no hydrogen 2.810 N/A GLY 148.A N ASP 145.A O no hydrogen 2.696 N/A VAL 150.A N ALA 143.A O no hydrogen 2.923 N/A SER 153.A N VAL 150.A O no hydrogen 2.716 N/A LEU 154.A N VAL 150.A O no hydrogen 3.330 N/A ARG 155.A N PRO 151.A O no hydrogen 2.663 N/A ASP 156.A N ASP 152.A O no hydrogen 2.850 N/A ILE 157.A N SER 153.A O no hydrogen 2.719 N/A LEU 158.A N LEU 154.A O no hydrogen 2.850 N/A SER 159.A N ASP 156.A O no hydrogen 3.252 N/A SER 159.A OG ASP 156.A O no hydrogen 2.426 N/A ARG 160.A N ILE 157.A O no hydrogen 3.277 N/A TRP 161.A N LEU 158.A O no hydrogen 2.859 N/A LYS 162.A N ASP 165.A OD2 no hydrogen 2.881 N/A LYS 162.A NZ ARG 160.A O no hydrogen 3.385 N/A ASP 165.A N LYS 162.A O no hydrogen 2.932 N/A LYS 167.A N GLU 164.A O no hydrogen 2.859 N/A ASN 168.A N ASP 165.A O no hydrogen 2.969 N/A GLN 170.A NE2 PRO 169.A O no hydrogen 3.101 N/A LYS 171.A N ASN 168.A O no hydrogen 3.040 N/A LYS 175.A N ASN 117.A O no hydrogen 2.973 N/A LYS 175.A NZ ARG 5.A O no hydrogen 3.088 N/A LYS 175.A NZ ILE 111.A O no hydrogen 3.336 N/A LYS 175.A NZ ASP 116.A OD2 no hydrogen 3.532 N/A LEU 177.A N LEU 209.A O no hydrogen 2.758 N/A TYR 178.A N LEU 119.A O no hydrogen 2.643 N/A TYR 178.A OH ASP 213.A OD2 no hydrogen 2.589 N/A THR 179.A N ILE 211.A O no hydrogen 3.348 N/A THR 179.A OG1 ASP 121.A OD1 no hydrogen 3.381 N/A ASN 182.A ND2 ASP 214.A OD2 no hydrogen 2.762 N/A GLY 183.A N SER 190.A OG no hydrogen 2.876 N/A ASN 184.A N ASN 189.A O no hydrogen 3.029 N/A THR 187.A OG1 ASN 184.A OD1 no hydrogen 3.549 N/A GLY 188.A N ASN 184.A O no hydrogen 2.496 N/A ASN 189.A N THR 187.A OG1 no hydrogen 3.181 N/A LEU 191.A N PRO 181.A O no hydrogen 2.743 N/A ARG 195.A N THR 192.A OG1 no hydrogen 3.011 N/A ARG 195.A NH1 ASP 145.A OD2 no hydrogen 3.269 N/A ARG 195.A NH1 ILE 149.A O no hydrogen 2.894 N/A ARG 195.A NH2 ASP 145.A OD2 no hydrogen 2.801 N/A LYS 196.A N THR 192.A O no hydrogen 3.112 N/A LYS 196.A NZ PRO 227.A O no hydrogen 2.975 N/A LYS 197.A N SER 193.A O no hydrogen 3.076 N/A GLU 198.A N GLU 194.A O no hydrogen 3.088 N/A ILE 199.A N ARG 195.A O no hydrogen 2.803 N/A TYR 200.A N LYS 196.A O no hydrogen 2.758 N/A TYR 200.A OH ASP 233.A OD1 no hydrogen 2.740 N/A GLU 201.A N LYS 197.A O no hydrogen 2.813 N/A LEU 202.A N GLU 198.A O no hydrogen 2.922 N/A ALA 203.A N ILE 199.A O no hydrogen 2.804 N/A ARG 204.A N TYR 200.A O no hydrogen 3.010 N/A ARG 204.A N GLU 201.A O no hydrogen 3.244 N/A LYS 205.A N GLU 201.A O no hydrogen 3.050 N/A TYR 206.A N LEU 202.A O no hydrogen 3.098 N/A ASP 207.A N ARG 204.A O no hydrogen 3.080 N/A PHE 208.A N ALA 203.A O no hydrogen 2.846 N/A LEU 209.A N LYS 175.A O no hydrogen 3.139 N/A ILE 210.A N ARG 237.A O no hydrogen 2.842 N/A ILE 211.A N LEU 177.A O no hydrogen 2.980 N/A GLU 212.A N ILE 239.A O no hydrogen 2.835 N/A ASP 213.A N THR 179.A O no hydrogen 2.930 N/A ASP 214.A N ALA 241.A O no hydrogen 2.949 N/A ARG 225.A NE TYR 217.A OH no hydrogen 3.100 N/A THR 228.A OG1 HIS 78.A ND1 no hydrogen 2.878 N/A LEU 230.A N GLU 212.A OE1 no hydrogen 3.074 N/A SER 231.A N THR 228.A OG1 no hydrogen 3.235 N/A SER 231.A OG THR 228.A O no hydrogen 2.664 N/A MET 232.A N THR 228.A O no hydrogen 3.060 N/A MET 232.A N PHE 229.A O no hydrogen 3.077 N/A ASP 233.A N LEU 230.A O no hydrogen 3.260 N/A VAL 234.A N MET 232.A O no hydrogen 2.993 N/A ASP 235.A N TYR 200.A OH no hydrogen 2.880 N/A GLY 236.A N ASP 233.A OD1 no hydrogen 3.161 N/A ARG 237.A N ASP 233.A OD1 no hydrogen 2.878 N/A ARG 237.A NH1 ASP 207.A OD1 no hydrogen 2.542 N/A ARG 237.A NH1 PHE 208.A O no hydrogen 3.171 N/A ARG 237.A NH2 ASP 207.A OD1 no hydrogen 3.126 N/A ARG 237.A NH2 ASP 235.A OD2 no hydrogen 2.637 N/A VAL 238.A N ASP 233.A OD2 no hydrogen 2.730 N/A ILE 239.A N ILE 210.A O no hydrogen 2.944 N/A ARG 240.A N THR 258.A O no hydrogen 2.755 N/A ARG 240.A NH2 ASP 214.A OD2 no hydrogen 3.441 N/A ALA 241.A N GLU 212.A O no hydrogen 2.822 N/A ASP 242.A N PHE 256.A O no hydrogen 3.017 N/A SER 245.A N SER 243.A OG no hydrogen 3.068 N/A ILE 248.A N PHE 244.A O no hydrogen 2.721 N/A SER 249.A N PHE 244.A O no hydrogen 2.807 N/A LEU 252.A N SER 249.A OG no hydrogen 3.032 N/A ARG 253.A NH1 SER 250.A O no hydrogen 3.013 N/A GLY 255.A N THR 97.A O no hydrogen 2.794 N/A PHE 256.A N ASP 242.A O no hydrogen 2.986 N/A LEU 257.A N CYS 95.A O no hydrogen 2.844 N/A THR 258.A N ARG 240.A O no hydrogen 2.814 N/A THR 258.A OG1 GLN 74.A OE1 no hydrogen 2.754 N/A GLY 259.A N ASP 93.A O no hydrogen 2.914 N/A LYS 261.A N GLN 91.A O no hydrogen 2.766 N/A ILE 264.A N PRO 260.A O no hydrogen 2.834 N/A GLU 265.A N LYS 261.A O no hydrogen 2.876 N/A ARG 266.A N PRO 262.A O no hydrogen 3.094 N/A ARG 266.A NE SER 11.A O no hydrogen 2.610 N/A ARG 266.A NH2 SER 11.A O no hydrogen 3.071 N/A VAL 267.A N LEU 263.A O no hydrogen 3.137 N/A ILE 268.A N ILE 264.A O no hydrogen 2.822 N/A LEU 269.A N GLU 265.A O no hydrogen 3.217 N/A HIS 270.A N VAL 267.A O no hydrogen 2.788 N/A ILE 271.A N VAL 267.A O no hydrogen 3.045 N/A GLN 272.A N ILE 268.A O no hydrogen 3.013 N/A GLN 272.A NE2 SER 60.A OG no hydrogen 3.171 N/A VAL 273.A N HIS 270.A O no hydrogen 3.187 N/A SER 274.A N ILE 271.A O no hydrogen 3.160 N/A LEU 276.A N ILE 271.A O no hydrogen 2.725 N/A THR 280.A OG1 ARG 53.A O no hydrogen 3.462 N/A THR 280.A OG1 ALA 54.A O no hydrogen 3.427 N/A ASN 282.A N SER 279.A OG no hydrogen 3.086 N/A GLN 283.A N SER 279.A O no hydrogen 3.023 N/A GLN 283.A NE2 SER 58.A OG no hydrogen 3.184 N/A GLN 283.A NE2 PRO 278.A O no hydrogen 2.647 N/A GLN 283.A NE2 SER 279.A O no hydrogen 3.577 N/A LEU 284.A N THR 280.A O no hydrogen 2.992 N/A MET 285.A N PHE 281.A O no hydrogen 2.850 N/A ILE 286.A N ASN 282.A O no hydrogen 2.839 N/A SER 287.A N GLN 283.A O no hydrogen 2.864 N/A SER 287.A OG HIS 291.A ND1 no hydrogen 3.378 N/A GLN 288.A N LEU 284.A O no hydrogen 2.859 N/A GLN 288.A NE2 GLN 45.A O no hydrogen 3.398 N/A LEU 290.A N ILE 286.A O no hydrogen 3.060 N/A HIS 291.A N SER 287.A O no hydrogen 2.822 N/A GLU 292.A N GLN 288.A O no hydrogen 3.195 N/A TRP 293.A N LEU 289.A O no hydrogen 3.093 N/A GLY 294.A N LEU 290.A O no hydrogen 3.305 N/A PHE 298.A N GLY 294.A O no hydrogen 2.850 N/A MET 299.A N GLU 295.A O no hydrogen 2.777 N/A ALA 300.A N GLU 296.A O no hydrogen 2.798 N/A HIS 301.A N GLY 297.A O no hydrogen 3.291 N/A HIS 301.A NE2 ILE 247.A O no hydrogen 2.922 N/A VAL 302.A N PHE 298.A O no hydrogen 2.885 N/A ASP 303.A N MET 299.A O no hydrogen 3.016 N/A ARG 304.A N ALA 300.A O no hydrogen 2.903 N/A VAL 305.A N HIS 301.A O no hydrogen 3.008 N/A ILE 306.A N VAL 302.A O no hydrogen 2.852 N/A ASP 307.A N ASP 303.A O no hydrogen 3.060 N/A PHE 308.A N VAL 305.A O no hydrogen 2.984 N/A TYR 309.A N VAL 305.A O no hydrogen 3.358 N/A SER 310.A N ILE 306.A O no hydrogen 2.924 N/A ASN 311.A ND2 ASP 314.A OD2 no hydrogen 3.240 N/A GLN 312.A N PHE 308.A O no hydrogen 2.984 N/A GLN 312.A NE2 PHE 385.A O no hydrogen 2.537 N/A GLN 312.A NE2 ALA 388.A O no hydrogen 2.988 N/A LYS 313.A N TYR 309.A O no hydrogen 2.706 N/A ASP 314.A N SER 310.A O no hydrogen 2.756 N/A ALA 315.A N ASN 311.A O no hydrogen 2.658 N/A ILE 316.A N GLN 312.A O no hydrogen 3.000 N/A LEU 317.A N LYS 313.A O no hydrogen 3.084 N/A ALA 318.A N ASP 314.A O no hydrogen 2.823 N/A ALA 319.A N ILE 316.A O no hydrogen 3.115 N/A ALA 320.A N ILE 316.A O no hydrogen 2.752 N/A ASP 321.A N LEU 317.A O no hydrogen 2.800 N/A LYS 322.A NZ ASP 394.A OD1 no hydrogen 2.856 N/A LYS 322.A NZ ASP 394.A OD2 no hydrogen 3.058 N/A TRP 323.A N ALA 319.A O no hydrogen 2.800 N/A TRP 323.A NE1 ASP 394.A OD1 no hydrogen 3.214 N/A TRP 323.A NE1 ASP 394.A OD2 no hydrogen 3.127 N/A LEU 324.A N ALA 320.A O no hydrogen 2.617 N/A THR 325.A OG1 LYS 322.A O no hydrogen 3.054 N/A THR 325.A OG1 TRP 323.A O no hydrogen 3.343 N/A LEU 327.A N LEU 324.A O no hydrogen 3.048 N/A GLU 329.A N LYS 342.A O no hydrogen 2.797 N/A ALA 334.A N GLY 188.A O no hydrogen 2.920 N/A GLY 336.A N LEU 219.A O no hydrogen 3.102 N/A LEU 339.A N ALA 383.A O no hydrogen 2.655 N/A ILE 341.A N LEU 381.A O no hydrogen 2.937 N/A LYS 342.A N GLU 329.A O no hydrogen 2.760 N/A VAL 343.A N PRO 379.A O no hydrogen 2.855 N/A LYS 344.A N LEU 327.A O no hydrogen 2.924 N/A LYS 344.A NZ GLU 329.A OE1 no hydrogen 3.563 N/A VAL 349.A N SER 378.A O no hydrogen 2.955 N/A ILE 353.A N GLU 351.A O no hydrogen 2.814 N/A GLU 354.A N LYS 350.A O no hydrogen 3.268 N/A VAL 358.A N ILE 353.A O no hydrogen 2.873 N/A MET 360.A N ALA 357.A O no hydrogen 3.071 N/A GLY 361.A N VAL 358.A O no hydrogen 2.756 N/A VAL 362.A N ALA 357.A O no hydrogen 3.236 N/A GLY 367.A N TYR 380.A O no hydrogen 2.912 N/A ASN 368.A ND2 SER 374.A O no hydrogen 3.250 N/A PHE 370.A N GLY 367.A O no hydrogen 2.853 N/A TYR 371.A N ASN 368.A O no hydrogen 3.221 N/A VAL 372.A N GLU 122.A OE1 no hydrogen 2.612 N/A SER 375.A OG ASP 373.A OD2 no hydrogen 2.794 N/A TYR 380.A N SER 378.A OG no hydrogen 3.370 N/A LEU 381.A N ILE 341.A O no hydrogen 2.965 N/A ARG 382.A N LEU 365.A O no hydrogen 3.068 N/A ARG 382.A NH1 ASN 185.A OD1 no hydrogen 2.760 N/A ALA 383.A N LEU 339.A O no hydrogen 2.718 N/A SER 384.A OG MET 337.A O no hydrogen 3.311 N/A SER 384.A OG SER 386.A OG no hydrogen 3.252 N/A PHE 385.A N MET 337.A O no hydrogen 3.198 N/A SER 386.A OG SER 384.A OG no hydrogen 3.252 N/A SER 389.A OG GLU 391.A OE1 no hydrogen 3.125 N/A GLN 392.A N SER 389.A OG no hydrogen 3.163 N/A MET 393.A N SER 389.A O no hydrogen 2.784 N/A ASP 394.A N PRO 390.A O no hydrogen 2.955 N/A VAL 395.A N GLU 391.A O no hydrogen 2.918 N/A ALA 396.A N GLN 392.A O no hydrogen 2.686 N/A PHE 397.A N MET 393.A O no hydrogen 2.837 N/A GLN 398.A N ASP 394.A O no hydrogen 3.070 N/A VAL 399.A N ALA 396.A O no hydrogen 3.182 N/A LEU 400.A N ALA 396.A O no hydrogen 3.077 N/A ALA 401.A N PHE 397.A O no hydrogen 2.799 N/A GLN 402.A N GLN 398.A O no hydrogen 3.412 N/A LEU 403.A N VAL 399.A O no hydrogen 3.065 N/A ILE 404.A N LEU 400.A O no hydrogen 2.810 N/A LYS 405.A N ALA 401.A O no hydrogen 3.035 N/A GLU 406.A N GLN 402.A O no hydrogen 3.099 N/A SER 407.A N LEU 403.A O no hydrogen 3.350 N/A SER 407.A OG LEU 403.A O no hydrogen 2.836 N/A SER 407.A OG ILE 404.A O no hydrogen 2.814 N/A LEU 408.A N ILE 404.A O no hydrogen 3.174 N/A LEU 408.A N LYS 405.A O no hydrogen 2.834 N/A LEU 409.A N GLU 406.A O no hydrogen 2.903 N/A