Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gty_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 23.A OE1 no hydrogen 2.991 N/A MET 1.A N GLU 23.A OE2 no hydrogen 2.778 N/A LYS 4.A N GLU 16.A O no hydrogen 3.031 N/A LEU 6.A N VAL 14.A O no hydrogen 3.212 N/A ARG 8.A NH2 GLU 5.A OE1 no hydrogen 2.571 N/A ASP 9.A N ARG 12.A O no hydrogen 2.625 N/A LYS 10.A NZ GLU 284.A OE2 no hydrogen 3.419 N/A ASN 11.A ND2 GLU 105.A O no hydrogen 2.697 N/A ASN 11.A ND2 THR 289.A OG1 no hydrogen 3.425 N/A ARG 12.A N ASP 9.A O no hydrogen 2.800 N/A ARG 12.A NH1 GLU 102.A OE2 no hydrogen 2.699 N/A VAL 13.A N VAL 103.A O no hydrogen 2.725 N/A VAL 14.A N GLU 7.A O no hydrogen 3.218 N/A LEU 15.A N VAL 101.A O no hydrogen 2.737 N/A GLU 16.A N LYS 4.A O no hydrogen 2.849 N/A TYR 17.A N VAL 99.A O no hydrogen 2.572 N/A VAL 18.A N GLU 2.A O no hydrogen 2.890 N/A PHE 19.A N ALA 97.A O no hydrogen 3.002 N/A ILE 24.A N GLY 20.A O no hydrogen 3.506 N/A ALA 25.A N GLU 22.A O no hydrogen 2.570 N/A GLN 26.A N GLU 22.A O no hydrogen 2.716 N/A ALA 27.A N GLU 23.A O no hydrogen 3.100 N/A GLU 28.A N ILE 24.A O no hydrogen 2.882 N/A ASP 29.A N ALA 25.A O no hydrogen 2.597 N/A LYS 30.A N GLN 26.A O no hydrogen 3.313 N/A ALA 31.A N ALA 27.A O no hydrogen 2.564 N/A VAL 32.A N GLU 28.A O no hydrogen 2.811 N/A ARG 33.A N ASP 29.A O no hydrogen 2.953 N/A TYR 34.A N LYS 30.A O no hydrogen 3.049 N/A LEU 35.A N ALA 31.A O no hydrogen 2.796 N/A ASN 36.A N VAL 32.A O no hydrogen 2.639 N/A GLN 37.A N TYR 34.A O no hydrogen 3.157 N/A ARG 38.A N LEU 35.A O no hydrogen 2.771 N/A ARG 38.A NE TYR 34.A O no hydrogen 3.250 N/A ARG 38.A NH2 GLN 37.A OE1 no hydrogen 3.290 N/A LYS 55.A N LEU 52.A O no hydrogen 2.691 N/A GLY 57.A N LYS 55.A O no hydrogen 2.633 N/A GLU 59.A N GLY 57.A O no hydrogen 2.964 N/A TYR 63.A N GLU 59.A O no hydrogen 2.924 N/A THR 64.A N PHE 60.A O no hydrogen 2.841 N/A THR 64.A N GLN 61.A O no hydrogen 2.901 N/A THR 64.A OG1 PHE 60.A O no hydrogen 3.027 N/A LEU 65.A N GLN 61.A O no hydrogen 3.169 N/A ASP 66.A N GLU 62.A O no hydrogen 3.200 N/A PHE 67.A N THR 64.A O no hydrogen 2.629 N/A LEU 68.A N THR 64.A O no hydrogen 3.178 N/A MET 69.A N LEU 65.A O no hydrogen 2.759 N/A LEU 71.A N LEU 68.A O no hydrogen 3.100 N/A ILE 72.A N MET 69.A O no hydrogen 2.615 N/A THR 75.A N ILE 72.A O no hydrogen 2.569 N/A THR 75.A OG1 ILE 72.A O no hydrogen 2.681 N/A LEU 76.A N PRO 73.A O no hydrogen 3.085 N/A LYS 77.A NZ ASP 74.A OD2 no hydrogen 2.614 N/A ILE 82.A N HIS 104.A O no hydrogen 2.986 N/A ILE 86.A N GLU 102.A O no hydrogen 3.289 N/A THR 88.A OG1 VAL 100.A O no hydrogen 3.523 N/A GLU 91.A N ARG 98.A O no hydrogen 3.040 N/A LYS 93.A N THR 96.A O no hydrogen 2.923 N/A LYS 93.A NZ GLU 91.A OE1 no hydrogen 3.205 N/A ARG 98.A N GLU 91.A O no hydrogen 2.951 N/A VAL 99.A N TYR 17.A O no hydrogen 2.796 N/A VAL 100.A N GLU 89.A O no hydrogen 2.857 N/A VAL 101.A N LEU 15.A O no hydrogen 2.918 N/A GLU 102.A N ILE 86.A O no hydrogen 2.757 N/A VAL 103.A N VAL 13.A O no hydrogen 2.443 N/A HIS 104.A ND1 THR 289.A OG1 no hydrogen 2.741 N/A HIS 104.A NE2 GLU 102.A OE1 no hydrogen 2.732 N/A GLU 106.A N LYS 80.A O no hydrogen 3.181 N/A GLU 108.A N GLU 284.A O no hydrogen 3.329 N/A ARG 110.A N GLU 282.A O no hydrogen 2.777 N/A SER 115.A N ASP 113.A OD2 no hydrogen 3.228 N/A SER 115.A OG ASP 113.A OD2 no hydrogen 3.129 N/A SER 115.A OG GLU 402.A O no hydrogen 3.442 N/A LYS 116.A N ASP 113.A O no hydrogen 3.027 N/A VAL 119.A N LYS 404.A O no hydrogen 2.936 N/A GLU 120.A N GLN 272.A OE1 no hydrogen 3.254 N/A LYS 121.A N LYS 406.A O no hydrogen 2.821 N/A ASP 123.A N VAL 408.A O no hydrogen 2.724 N/A LYS 126.A N ASP 123.A OD1 no hydrogen 2.898 N/A LYS 126.A NZ ASP 123.A OD2 no hydrogen 3.464 N/A VAL 127.A N GLU 124.A O no hydrogen 2.705 N/A LEU 128.A N GLU 124.A O no hydrogen 2.947 N/A GLU 129.A N GLU 125.A O no hydrogen 3.281 N/A TYR 131.A N VAL 127.A O no hydrogen 3.048 N/A TYR 131.A OH GLU 256.A OE2 no hydrogen 3.017 N/A VAL 132.A N LEU 128.A O no hydrogen 2.796 N/A GLU 133.A N GLU 129.A O no hydrogen 2.909 N/A ARG 134.A N LYS 130.A O no hydrogen 3.233 N/A ARG 135.A N TYR 131.A O no hydrogen 2.719 N/A ARG 135.A NH2 GLU 256.A OE1 no hydrogen 3.231 N/A ARG 135.A NH2 GLU 256.A OE2 no hydrogen 2.776 N/A ILE 136.A N VAL 132.A O no hydrogen 2.797 N/A GLU 137.A N GLU 133.A O no hydrogen 3.393 N/A ASP 138.A N ARG 134.A O no hydrogen 3.088 N/A LEU 139.A N ARG 135.A O no hydrogen 2.795 N/A ARG 140.A N ILE 136.A O no hydrogen 2.761 N/A ARG 140.A NE GLU 137.A OE2 no hydrogen 3.216 N/A ARG 140.A NH1 PRO 229.A O no hydrogen 2.964 N/A ARG 140.A NH2 GLU 137.A OE2 no hydrogen 3.196 N/A GLU 141.A N GLU 137.A O no hydrogen 3.511 N/A SER 142.A N ASP 138.A O no hydrogen 3.358 N/A SER 142.A OG LEU 139.A O no hydrogen 3.047 N/A SER 142.A OG HIS 143.A ND1 no hydrogen 3.037 N/A HIS 143.A N LEU 139.A O no hydrogen 3.109 N/A ALA 144.A N GLU 141.A O no hydrogen 3.300 N/A GLU 147.A N LYS 225.A O no hydrogen 3.205 N/A LYS 149.A N VAL 223.A O no hydrogen 2.823 N/A LYS 149.A NZ PRO 152.A O no hydrogen 3.443 N/A LYS 149.A NZ ASP 157.A OD1 no hydrogen 3.503 N/A LYS 149.A NZ ASP 157.A OD2 no hydrogen 3.543 N/A GLU 154.A N PRO 152.A O no hydrogen 2.937 N/A ASP 157.A N GLU 154.A O no hydrogen 3.453 N/A LEU 158.A N TYR 224.A O no hydrogen 3.180 N/A ARG 160.A N GLU 222.A O no hydrogen 2.767 N/A ARG 160.A NH1 GLU 177.A OE1 no hydrogen 3.376 N/A ARG 160.A NH1 GLU 177.A OE2 no hydrogen 3.244 N/A ARG 160.A NH2 TYR 224.A OH no hydrogen 3.103 N/A VAL 161.A N TYR 178.A O no hydrogen 2.812 N/A ASN 162.A N GLU 219.A O no hydrogen 2.867 N/A MET 163.A N ARG 176.A O no hydrogen 3.154 N/A GLU 164.A N LYS 217.A O no hydrogen 3.076 N/A VAL 165.A N THR 174.A O no hydrogen 3.084 N/A TYR 166.A N THR 215.A O no hydrogen 2.627 N/A TYR 166.A OH GLU 164.A OE1 no hydrogen 3.357 N/A ASN 167.A N LYS 171.A O no hydrogen 2.886 N/A GLY 170.A N ASN 167.A O no hydrogen 3.148 N/A LEU 173.A N VAL 165.A O no hydrogen 2.882 N/A SER 175.A OG ASN 162.A OD1 no hydrogen 3.349 N/A ARG 176.A N MET 163.A O no hydrogen 3.130 N/A TYR 180.A N VAL 159.A O no hydrogen 2.997 N/A ILE 182.A N ASP 157.A O no hydrogen 3.024 N/A ARG 188.A NH2 VAL 181.A O no hydrogen 3.443 N/A VAL 191.A N PRO 189.A O no hydrogen 2.782 N/A LYS 192.A N ARG 188.A O no hydrogen 3.295 N/A ASP 193.A N PHE 190.A O no hydrogen 2.893 N/A LEU 194.A N PHE 190.A O no hydrogen 3.176 N/A GLY 196.A N ALA 153.A O no hydrogen 2.991 N/A LYS 197.A N LEU 194.A O no hydrogen 3.278 N/A LYS 198.A N ASP 201.A OD2 no hydrogen 2.999 N/A GLY 200.A N VAL 220.A O no hydrogen 2.866 N/A ASP 201.A N LYS 198.A O no hydrogen 3.375 N/A VAL 203.A N LEU 218.A O no hydrogen 2.723 N/A ILE 205.A N TYR 216.A O no hydrogen 2.838 N/A TYR 209.A N LYS 212.A O no hydrogen 2.819 N/A TYR 209.A OH TYR 216.A OH no hydrogen 2.830 N/A LYS 212.A N TYR 209.A O no hydrogen 3.156 N/A TYR 214.A N ARG 207.A O no hydrogen 2.624 N/A THR 215.A N TYR 166.A O no hydrogen 2.869 N/A TYR 216.A N ILE 205.A O no hydrogen 2.957 N/A LYS 217.A N GLU 164.A O no hydrogen 2.719 N/A LEU 218.A N VAL 203.A O no hydrogen 2.968 N/A GLU 219.A N ASN 162.A O no hydrogen 3.360 N/A VAL 220.A N ASP 201.A O no hydrogen 2.867 N/A GLU 221.A N ARG 160.A O no hydrogen 2.784 N/A GLU 222.A N ARG 160.A O no hydrogen 3.203 N/A VAL 223.A N GLU 222.A OE1 no hydrogen 2.778 N/A TYR 224.A N LEU 158.A O no hydrogen 2.832 N/A LYS 225.A N GLU 147.A O no hydrogen 2.483 N/A ARG 226.A NH2 GLU 141.A O no hydrogen 3.449 N/A ARG 226.A NH2 GLU 141.A OE1 no hydrogen 2.765 N/A THR 227.A N LEU 145.A O no hydrogen 2.928 N/A THR 227.A OG1 LEU 145.A O no hydrogen 3.467 N/A LEU 235.A N GLY 232.A O no hydrogen 3.037 N/A LYS 237.A N ASP 233.A O no hydrogen 3.526 N/A SER 238.A N GLU 234.A O no hydrogen 3.066 N/A SER 238.A OG GLU 234.A O no hydrogen 2.644 N/A VAL 239.A N ALA 236.A O no hydrogen 2.754 N/A PHE 243.A N ASN 241.A O no hydrogen 2.920 N/A GLN 248.A N THR 245.A O no hydrogen 3.053 N/A GLN 248.A NE2 GLU 251.A OE2 no hydrogen 2.720 N/A LEU 249.A N THR 245.A O no hydrogen 3.151 N/A LYS 250.A N LEU 246.A O no hydrogen 2.893 N/A GLU 251.A N GLU 247.A O no hydrogen 3.107 N/A SER 252.A N GLN 248.A O no hydrogen 3.046 N/A LEU 253.A N LEU 249.A O no hydrogen 2.965 N/A LYS 254.A N LYS 250.A O no hydrogen 2.839 N/A LYS 255.A N GLU 251.A O no hydrogen 2.942 N/A GLU 256.A N SER 252.A O no hydrogen 2.965 N/A GLY 257.A N LEU 253.A O no hydrogen 3.024 N/A GLY 257.A N LYS 254.A O no hydrogen 2.733 N/A LYS 258.A N LYS 254.A O no hydrogen 2.887 N/A LYS 258.A NZ GLU 124.A OE2 no hydrogen 3.396 N/A GLU 259.A N LYS 255.A O no hydrogen 3.260 N/A ILE 260.A N GLU 256.A O no hydrogen 3.497 N/A TYR 261.A N GLY 257.A O no hydrogen 2.702 N/A TYR 261.A OH VAL 122.A O no hydrogen 2.588 N/A ASP 262.A N LYS 258.A O no hydrogen 2.860 N/A VAL 263.A N GLU 259.A O no hydrogen 3.329 N/A GLU 264.A N ILE 260.A O no hydrogen 3.107 N/A MET 265.A N TYR 261.A O no hydrogen 2.722 N/A GLU 267.A N VAL 263.A O no hydrogen 3.319 N/A SER 268.A N GLU 264.A O no hydrogen 3.169 N/A MET 269.A N MET 265.A O no hydrogen 2.956 N/A ARG 270.A N LYS 266.A O no hydrogen 3.136 N/A ARG 270.A NE GLU 267.A OE1 no hydrogen 3.390 N/A ARG 270.A NH1 ASP 397.A OD2 no hydrogen 2.790 N/A ARG 270.A NH2 GLU 267.A OE1 no hydrogen 3.021 N/A GLU 271.A N GLU 267.A O no hydrogen 2.930 N/A GLN 272.A N SER 268.A O no hydrogen 2.965 N/A GLN 272.A NE2 GLU 120.A O no hydrogen 3.659 N/A GLN 272.A NE2 SER 268.A O no hydrogen 3.268 N/A LEU 273.A N MET 269.A O no hydrogen 2.866 N/A LEU 274.A N ARG 270.A O no hydrogen 3.183 N/A GLU 275.A N GLU 271.A O no hydrogen 3.035 N/A LYS 276.A N LEU 273.A O no hydrogen 3.271 N/A LYS 276.A NZ GLU 118.A O no hydrogen 3.111 N/A LEU 277.A N LEU 274.A O no hydrogen 3.367 N/A GLU 279.A N LYS 276.A O no hydrogen 3.282 N/A VAL 281.A N PRO 278.A O no hydrogen 3.206 N/A GLU 282.A N ARG 110.A O no hydrogen 3.186 N/A GLU 284.A N GLU 108.A O no hydrogen 2.891 N/A SER 286.A N ASN 11.A OD1 no hydrogen 2.708 N/A SER 286.A OG THR 289.A OG1 no hydrogen 3.086 N/A ARG 288.A NH1 GLU 291.A OE1 no hydrogen 3.393 N/A THR 289.A N SER 286.A OG no hydrogen 2.779 N/A THR 289.A OG1 ASN 11.A OD1 no hydrogen 3.267 N/A THR 289.A OG1 HIS 104.A ND1 no hydrogen 2.741 N/A THR 289.A OG1 SER 286.A OG no hydrogen 3.086 N/A LEU 290.A N SER 286.A O no hydrogen 3.236 N/A GLU 291.A N ASP 287.A O no hydrogen 2.756 N/A ILE 292.A N ARG 288.A O no hydrogen 2.714 N/A LEU 293.A N THR 289.A O no hydrogen 3.130 N/A VAL 294.A N LEU 290.A O no hydrogen 2.923 N/A ASN 295.A N GLU 291.A O no hydrogen 3.238 N/A GLU 296.A N ILE 292.A O no hydrogen 2.652 N/A ALA 297.A N VAL 294.A O no hydrogen 2.977 N/A ILE 298.A N VAL 294.A O no hydrogen 2.780 N/A ASN 299.A N ASN 295.A O no hydrogen 3.163 N/A ASN 299.A ND2 ASN 295.A O no hydrogen 3.142 N/A LEU 301.A N ILE 298.A O no hydrogen 2.726 N/A LYS 302.A N ILE 298.A O no hydrogen 3.373 N/A ARG 303.A N ASN 299.A O no hydrogen 3.301 N/A GLU 304.A N LEU 301.A O no hydrogen 2.922 N/A GLY 305.A N LYS 302.A O no hydrogen 3.386 N/A GLU 308.A N GLY 305.A O no hydrogen 3.136 N/A GLN 309.A NE2 GLY 305.A O no hydrogen 3.694 N/A ILE 310.A N ARG 306.A O no hydrogen 3.101 N/A VAL 311.A N TYR 307.A O no hydrogen 2.753 N/A SER 312.A N GLU 308.A O no hydrogen 3.296 N/A SER 312.A OG GLU 308.A O no hydrogen 2.525 N/A SER 313.A OG ILE 310.A O no hydrogen 2.724 N/A TYR 314.A N VAL 311.A O no hydrogen 3.327 N/A LYS 319.A N SER 316.A O no hydrogen 2.819 N/A PHE 320.A N SER 316.A O no hydrogen 3.264 N/A ARG 321.A N GLU 317.A O no hydrogen 3.071 N/A ARG 321.A NH1 ASN 295.A OD1 no hydrogen 2.774 N/A GLU 322.A N GLU 318.A O no hydrogen 3.082 N/A GLU 323.A N LYS 319.A O no hydrogen 2.776 N/A LEU 324.A N PHE 320.A O no hydrogen 2.484 N/A LYS 325.A N ARG 321.A O no hydrogen 2.776 N/A ARG 327.A N GLU 323.A O no hydrogen 3.095 N/A ILE 328.A N LYS 325.A O no hydrogen 2.621 N/A LEU 329.A N LYS 325.A O no hydrogen 3.176 N/A ASP 330.A N GLU 326.A O no hydrogen 2.931 N/A ILE 332.A N ILE 328.A O no hydrogen 2.794 N/A LYS 333.A N LEU 329.A O no hydrogen 2.946 N/A ARG 334.A N ASP 330.A O no hydrogen 3.098 N/A ARG 334.A NE LEU 274.A O no hydrogen 2.834 N/A ARG 334.A NH1 ASP 331.A OD1 no hydrogen 2.656 N/A ARG 334.A NH2 GLU 275.A O no hydrogen 3.071 N/A ASP 335.A N ASP 331.A O no hydrogen 2.803 N/A ARG 336.A N ILE 332.A O no hydrogen 2.590 N/A ARG 336.A NE PRO 107.A O no hydrogen 2.482 N/A ARG 336.A NH1 GLU 339.A OE2 no hydrogen 2.769 N/A ARG 336.A NH2 PRO 107.A O no hydrogen 2.980 N/A VAL 337.A N LYS 333.A O no hydrogen 2.636 N/A ILE 338.A N ARG 334.A O no hydrogen 2.798 N/A GLU 339.A N ASP 335.A O no hydrogen 2.953 N/A VAL 340.A N ARG 336.A O no hydrogen 2.893 N/A LEU 341.A N VAL 337.A O no hydrogen 3.207 N/A ALA 342.A N ILE 338.A O no hydrogen 3.099 N/A ALA 342.A N GLU 339.A O no hydrogen 3.285 N/A GLN 343.A N VAL 340.A O no hydrogen 2.591 N/A GLU 344.A N VAL 340.A O no hydrogen 3.214 N/A LYS 345.A N LEU 341.A O no hydrogen 3.130 N/A GLY 346.A N GLN 343.A O no hydrogen 2.640 N/A ILE 347.A N ALA 342.A O no hydrogen 2.578 N/A GLU 353.A N ASN 350.A O no hydrogen 2.824 N/A LEU 354.A N ASN 350.A O no hydrogen 2.854 N/A GLU 355.A N ASP 351.A O no hydrogen 3.235 N/A GLU 357.A N GLU 353.A O no hydrogen 3.372 N/A GLU 359.A N GLU 355.A O no hydrogen 3.167 N/A GLU 360.A N GLU 357.A O no hydrogen 2.739 N/A LEU 361.A N ALA 358.A O no hydrogen 3.189 N/A TRP 365.A N LEU 361.A O no hydrogen 2.983 N/A GLY 366.A N PRO 363.A O no hydrogen 2.933 N/A ILE 367.A N ALA 362.A O no hydrogen 2.887 N/A ARG 371.A N SER 368.A O no hydrogen 2.802 N/A LYS 373.A N PRO 369.A O no hydrogen 3.517 N/A LYS 373.A NZ GLU 359.A OE2 no hydrogen 3.179 N/A SER 374.A N ASP 370.A O no hydrogen 2.725 N/A LEU 375.A N ARG 371.A O no hydrogen 2.832 N/A VAL 376.A N ALA 372.A O no hydrogen 2.780 N/A LYS 377.A N LYS 373.A O no hydrogen 3.202 N/A ALA 378.A N SER 374.A O no hydrogen 3.258 N/A ARG 379.A N LEU 375.A O no hydrogen 2.804 N/A ARG 379.A NH2 ASP 381.A OD1 no hydrogen 2.901 N/A GLU 385.A N ASP 381.A O no hydrogen 3.412 N/A LEU 386.A N LEU 382.A O no hydrogen 2.921 N/A ARG 387.A N ARG 383.A O no hydrogen 2.943 N/A TRP 388.A N GLU 384.A O no hydrogen 3.108 N/A ILE 390.A N LEU 386.A O no hydrogen 3.236 N/A LEU 391.A N ARG 387.A O no hydrogen 3.145 N/A LYS 392.A N TRP 388.A O no hydrogen 2.691 N/A ARG 393.A N ALA 389.A O no hydrogen 2.851 N/A LYS 394.A N LEU 391.A O no hydrogen 2.868 N/A LYS 394.A NZ GLU 353.A OE1 no hydrogen 3.437 N/A LYS 394.A NZ GLU 353.A OE2 no hydrogen 3.368 N/A VAL 395.A N LEU 391.A O no hydrogen 3.029 N/A LEU 396.A N LYS 392.A O no hydrogen 2.957 N/A LEU 398.A N LYS 394.A O no hydrogen 3.061 N/A LEU 399.A N VAL 395.A O no hydrogen 3.010 N/A LEU 400.A N LEU 396.A O no hydrogen 2.722 N/A GLN 401.A N LEU 398.A O no hydrogen 2.878 N/A GLU 402.A N LEU 399.A O no hydrogen 2.695 N/A LYS 404.A N ILE 117.A O no hydrogen 3.295 N/A LYS 406.A N VAL 119.A O no hydrogen 2.516 N/A VAL 408.A N LYS 121.A O no hydrogen 2.755 N/A