Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7kcr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N HIS 144.A NE2 no hydrogen 3.057 N/A ARG 2.A NE GLU 44.A OE1 no hydrogen 2.554 N/A ARG 2.A NH1 ASP 155.A OD1 no hydrogen 2.447 N/A ARG 2.A NH1 ASP 155.A OD2 no hydrogen 3.275 N/A ARG 2.A NH2 ASP 155.A OD2 no hydrogen 3.114 N/A CYS 3.A SG THR 32.A OG1 no hydrogen 3.405 N/A SER 7.A OG VAL 6.A O no hydrogen 2.654 N/A ASP 10.A N CYS 30.A O no hydrogen 3.461 N/A VAL 12.A N THR 32.A O no hydrogen 3.191 N/A THR 19.A OG1 GLY 18.A O no hydrogen 2.578 N/A ASP 22.A N GLY 432.A O no hydrogen 3.480 N/A VAL 23.A N CYS 291.A O no hydrogen 3.217 N/A LEU 25.A N LEU 289.A O no hydrogen 3.094 N/A GLU 26.A N GLU 26.A OE1 no hydrogen 2.885 N/A CYS 30.A SG ARG 2.A O no hydrogen 3.918 N/A CYS 30.A SG ILE 43.A O no hydrogen 3.209 N/A VAL 31.A N ILE 43.A O no hydrogen 2.890 N/A THR 32.A N ASP 10.A O no hydrogen 2.917 N/A THR 32.A OG1 ASP 42.A OD1 no hydrogen 2.567 N/A VAL 33.A N VAL 41.A O no hydrogen 3.208 N/A THR 40.A OG1 HIS 144.A ND1 no hydrogen 3.048 N/A THR 40.A OG1 ILE 359.A O no hydrogen 2.909 N/A ASP 42.A N SER 142.A O no hydrogen 2.476 N/A ILE 43.A N VAL 31.A O no hydrogen 2.862 N/A GLU 44.A N MET 140.A O no hydrogen 3.261 N/A VAL 46.A N ARG 138.A O no hydrogen 3.098 N/A THR 48.A N LEU 284.A O no hydrogen 3.253 N/A THR 48.A OG1 THR 47.A O no hydrogen 2.792 N/A THR 49.A N GLU 136.A O no hydrogen 2.980 N/A THR 49.A OG1 GLU 136.A OE1 no hydrogen 3.386 N/A VAL 50.A N THR 48.A O no hydrogen 3.203 N/A VAL 50.A N GLY 282.A O no hydrogen 3.141 N/A SER 51.A N ASN 134.A O no hydrogen 3.473 N/A SER 51.A OG ASN 134.A O no hydrogen 2.703 N/A VAL 56.A N GLY 127.A O no hydrogen 3.024 N/A ARG 57.A NH2 HIS 219.A ND1 no hydrogen 3.092 N/A ARG 57.A NH2 HIS 219.A O no hydrogen 3.441 N/A SER 58.A N HIS 226.A O no hydrogen 3.009 N/A TYR 59.A OH PHE 218.A O no hydrogen 2.925 N/A TYR 59.A OH ILE 221.A O no hydrogen 3.241 N/A CYS 60.A N PRO 224.A O no hydrogen 2.844 N/A CYS 60.A SG GLU 62.A O no hydrogen 3.727 N/A SER 64.A N ALA 120.A O no hydrogen 2.651 N/A SER 66.A N LYS 118.A O no hydrogen 3.424 N/A ALA 69.A N CYS 116.A O no hydrogen 3.239 N/A SER 70.A OG LYS 251.A O no hydrogen 2.952 N/A ASP 71.A N VAL 114.A O no hydrogen 2.843 N/A ARG 73.A N SER 112.A O no hydrogen 3.310 N/A ARG 73.A NH2 SER 72.A O no hydrogen 2.401 N/A GLN 77.A N CYS 74.A O no hydrogen 3.096 N/A LYS 84.A NZ ASP 67.A OD1 no hydrogen 3.525 N/A GLN 85.A N LEU 82.A O no hydrogen 3.132 N/A SER 86.A N ASP 83.A O no hydrogen 3.288 N/A SER 86.A OG ASP 83.A O no hydrogen 2.891 N/A TYR 90.A N ASP 87.A O no hydrogen 3.455 N/A VAL 91.A N ALA 117.A O no hydrogen 2.834 N/A LYS 93.A N THR 115.A O no hydrogen 3.430 N/A LYS 93.A NZ THR 95.A OG1 no hydrogen 3.070 N/A THR 95.A N LEU 113.A O no hydrogen 2.889 N/A THR 95.A OG1 ARG 94.A O no hydrogen 2.979 N/A VAL 97.A N GLY 111.A O no hydrogen 2.594 N/A ARG 99.A N GLY 109.A O no hydrogen 3.231 N/A ASN 103.A N GLY 100.A O no hydrogen 3.253 N/A GLY 104.A N TRP 101.A O no hydrogen 3.027 N/A CYS 105.A N GLY 100.A O no hydrogen 2.893 N/A GLY 109.A N ARG 99.A O no hydrogen 3.443 N/A LYS 110.A NZ ASP 98.A OD1 no hydrogen 2.921 N/A GLY 111.A N GLY 109.A O no hydrogen 2.835 N/A VAL 114.A N ASP 71.A O no hydrogen 2.820 N/A THR 115.A N LYS 93.A O no hydrogen 3.496 N/A THR 115.A OG1 ALA 69.A O no hydrogen 2.522 N/A CYS 116.A N ALA 69.A O no hydrogen 3.181 N/A CYS 116.A SG LYS 84.A O no hydrogen 3.262 N/A ALA 117.A N VAL 91.A O no hydrogen 3.051 N/A LYS 118.A N SER 66.A O no hydrogen 3.058 N/A PHE 119.A N GLN 89.A O no hydrogen 3.078 N/A ALA 120.A N SER 64.A O no hydrogen 3.231 N/A CYS 121.A SG GLU 62.A O no hydrogen 3.493 N/A SER 122.A N GLU 62.A O no hydrogen 2.848 N/A MET 125.A N TYR 59.A O no hydrogen 2.946 N/A THR 126.A N THR 205.A O no hydrogen 2.813 N/A LYS 128.A N TYR 203.A O no hydrogen 3.030 N/A TYR 137.A N ILE 169.A O no hydrogen 3.053 N/A ILE 139.A N VAL 167.A O no hydrogen 2.960 N/A MET 140.A N GLU 44.A O no hydrogen 3.189 N/A LEU 141.A N ALA 165.A O no hydrogen 2.922 N/A SER 142.A OG ILE 1.A O no hydrogen 3.142 N/A SER 142.A OG VAL 143.A O no hydrogen 3.465 N/A VAL 143.A N ASN 163.A O no hydrogen 2.720 N/A HIS 144.A N THR 40.A O no hydrogen 3.031 N/A HIS 144.A ND1 THR 40.A OG1 no hydrogen 3.048 N/A SER 146.A OG ASN 163.A OD1 no hydrogen 3.447 N/A GLN 147.A N GLY 145.A O no hydrogen 2.697 N/A SER 149.A OG GLU 329.A OE1 no hydrogen 2.754 N/A GLY 150.A N HIS 148.A ND1 no hydrogen 3.176 N/A MET 151.A N HIS 148.A O no hydrogen 3.400 N/A THR 156.A OG1 ASN 154.A OD1 no hydrogen 3.466 N/A HIS 158.A N GLU 159.A OE1 no hydrogen 3.370 N/A GLU 162.A N ASP 161.A OD1 no hydrogen 2.505 N/A ASN 163.A N ASP 161.A OD1 no hydrogen 3.028 N/A ASN 163.A ND2 ASP 161.A OD1 no hydrogen 3.044 N/A LYS 166.A NZ GLU 168.A OE2 no hydrogen 2.890 N/A VAL 167.A N ILE 139.A O no hydrogen 2.751 N/A ILE 169.A N TYR 137.A O no hydrogen 3.144 N/A THR 170.A OG1 SER 173.A OG no hydrogen 2.484 N/A SER 173.A N THR 170.A O no hydrogen 3.010 N/A SER 173.A OG THR 170.A OG1 no hydrogen 2.484 N/A SER 173.A OG SER 173.A O no hydrogen 2.581 N/A ALA 178.A N LEU 186.A O no hydrogen 3.381 N/A PHE 183.A N LEU 180.A O no hydrogen 2.690 N/A SER 185.A N LYS 297.A O no hydrogen 2.372 N/A SER 185.A OG GLU 177.A OE1 no hydrogen 2.885 N/A ASP 189.A N ARG 292.A O no hydrogen 3.194 N/A GLY 195.A N ARG 193.A O no hydrogen 2.858 N/A SER 199.A OG PHE 198.A O no hydrogen 2.479 N/A SER 199.A OG ASP 200.A OD1 no hydrogen 3.563 N/A TYR 203.A N LYS 128.A O no hydrogen 2.731 N/A THR 205.A N THR 126.A O no hydrogen 2.753 N/A THR 205.A OG1 HIS 210.A ND1 no hydrogen 2.733 N/A MET 206.A N LYS 209.A O no hydrogen 2.986 N/A LYS 209.A N MET 206.A O no hydrogen 2.659 N/A HIS 210.A ND1 THR 205.A OG1 no hydrogen 2.733 N/A TRP 211.A N LEU 204.A O no hydrogen 2.913 N/A LEU 212.A N LEU 273.A O no hydrogen 3.260 N/A LYS 215.A N ASP 200.A O no hydrogen 2.516 N/A LYS 215.A NZ SER 199.A O no hydrogen 2.948 N/A PHE 218.A N HIS 214.A O no hydrogen 3.114 N/A HIS 219.A N LYS 215.A O no hydrogen 2.973 N/A ASP 220.A N GLU 216.A O no hydrogen 3.021 N/A HIS 226.A ND1 ALA 227.A O no hydrogen 2.750 N/A ASN 237.A N TRP 225.A O no hydrogen 2.514 N/A LYS 239.A NZ THR 88.A O no hydrogen 2.410 N/A LEU 242.A N LYS 239.A O no hydrogen 3.405 N/A GLU 244.A N VAL 256.A O no hydrogen 2.949 N/A PHE 245.A N GLU 244.A OE2 no hydrogen 2.852 N/A THR 254.A N LYS 246.A O no hydrogen 3.005 N/A THR 254.A OG1 LYS 246.A O no hydrogen 3.238 N/A VAL 256.A N GLU 244.A O no hydrogen 3.136 N/A LEU 258.A N LEU 242.A O no hydrogen 3.089 N/A SER 260.A OG GLU 62.A OE2 no hydrogen 3.350 N/A GLN 261.A N TYR 61.A O no hydrogen 3.035 N/A VAL 265.A N GLN 261.A O no hydrogen 3.138 N/A HIS 266.A N GLU 262.A O no hydrogen 2.922 N/A THR 267.A N GLY 263.A O no hydrogen 2.892 N/A ALA 268.A N ALA 264.A O no hydrogen 2.903 N/A LEU 269.A N HIS 266.A O no hydrogen 3.162 N/A ALA 275.A N HIS 210.A O no hydrogen 3.262 N/A GLU 276.A N ARG 283.A O no hydrogen 3.072 N/A ASP 278.A N LYS 281.A O no hydrogen 2.802 N/A GLY 282.A N VAL 50.A O no hydrogen 2.678 N/A ARG 283.A NE ASP 278.A OD1 no hydrogen 2.842 N/A ARG 283.A NE ASP 278.A OD2 no hydrogen 3.024 N/A LEU 284.A N THR 48.A O no hydrogen 3.037 N/A SER 285.A OG VAL 46.A O no hydrogen 3.398 N/A SER 285.A OG LEU 284.A O no hydrogen 3.541 N/A SER 286.A OG SER 285.A O no hydrogen 2.442 N/A LYS 290.A NZ GLU 191.A OE1 no hydrogen 3.369 N/A LEU 293.A N VAL 21.A O no hydrogen 2.792 N/A LYS 294.A N GLY 187.A O no hydrogen 2.705 N/A LYS 294.A NZ ASP 189.A OD2 no hydrogen 2.501 N/A MET 295.A N THR 19.A O no hydrogen 2.985 N/A ARG 299.A N PHE 183.A O no hydrogen 2.798 N/A LYS 301.A NZ GLU 162.A OE1 no hydrogen 3.222 N/A LYS 301.A NZ GLU 162.A OE2 no hydrogen 3.399 N/A CYS 308.A N LYS 340.A O no hydrogen 3.009 N/A CYS 308.A SG LYS 340.A O no hydrogen 3.290 N/A THR 309.A OG1 ASP 336.A OD2 no hydrogen 3.093 N/A THR 315.A N GLU 329.A O no hydrogen 3.388 N/A LYS 316.A NZ SER 149.A OG no hydrogen 2.519 N/A LYS 316.A NZ GLU 329.A OE1 no hydrogen 2.821 N/A THR 321.A OG1 ALA 319.A O no hydrogen 3.423 N/A THR 321.A OG1 THR 325.A O no hydrogen 3.178 N/A HIS 323.A N THR 321.A O no hydrogen 2.635 N/A THR 325.A OG1 GLU 377.A OE1 no hydrogen 2.820 N/A VAL 326.A N LEU 378.A O no hydrogen 2.611 N/A THR 327.A N ALA 319.A O no hydrogen 3.485 N/A THR 327.A OG1 THR 327.A O no hydrogen 2.324 N/A VAL 330.A N MET 374.A O no hydrogen 2.858 N/A GLN 331.A N THR 313.A O no hydrogen 3.157 N/A GLN 331.A NE2 THR 313.A OG1 no hydrogen 3.412 N/A TYR 332.A N SER 372.A O no hydrogen 3.064 N/A CYS 339.A SG SER 306.A O no hydrogen 3.241 N/A CYS 339.A SG SER 306.A OG no hydrogen 3.384 N/A VAL 341.A N PRO 363.A O no hydrogen 2.872 N/A ALA 343.A N VAL 341.A O no hydrogen 3.129 N/A GLN 344.A N VAL 388.A O no hydrogen 3.034 N/A ALA 346.A N TYR 386.A O no hydrogen 3.044 N/A GLN 350.A N ASP 348.A OD2 no hydrogen 3.026 N/A THR 351.A N ASP 348.A OD2 no hydrogen 3.087 N/A THR 351.A OG1 ASP 348.A OD2 no hydrogen 2.822 N/A LEU 352.A N ASP 348.A O no hydrogen 3.316 N/A ILE 359.A N GLU 377.A O no hydrogen 2.986 N/A THR 360.A N GLU 377.A O no hydrogen 3.152 N/A THR 360.A OG1 GLU 377.A O no hydrogen 3.499 N/A ILE 365.A N CYS 339.A O no hydrogen 2.752 N/A ASN 371.A ND2 GLN 331.A OE1 no hydrogen 2.821 N/A MET 374.A N VAL 330.A O no hydrogen 2.773 N/A MET 375.A N GLN 147.A O no hydrogen 3.262 N/A LEU 376.A N VAL 328.A O no hydrogen 2.573 N/A LEU 378.A N VAL 326.A O no hydrogen 2.721 N/A ASP 379.A N ARG 357.A O no hydrogen 3.185 N/A GLY 383.A N ARG 402.A O no hydrogen 3.302 N/A SER 385.A N TRP 400.A O no hydrogen 3.021 N/A TYR 386.A N ALA 346.A O no hydrogen 2.622 N/A ILE 387.A N HIS 398.A O no hydrogen 3.064 N/A VAL 388.A N GLN 344.A O no hydrogen 3.319 N/A ILE 389.A N ILE 396.A O no hydrogen 3.457 N/A GLY 390.A N PRO 342.A O no hydrogen 3.420 N/A LYS 395.A N GLY 392.A O no hydrogen 3.241 N/A ILE 396.A N ILE 389.A O no hydrogen 2.900 N/A HIS 398.A N ILE 387.A O no hydrogen 3.403 N/A HIS 399.A NE2 ASP 384.A OD2 no hydrogen 2.615 N/A TRP 400.A N SER 385.A O no hydrogen 2.855 N/A HIS 401.A ND1 ASP 384.A OD1 no hydrogen 2.686 N/A ARG 402.A N GLY 383.A O no hydrogen 2.979 N/A LYS 409.A N SER 405.A O no hydrogen 2.971 N/A ALA 410.A N THR 406.A O no hydrogen 2.902 N/A PHE 411.A N ILE 407.A O no hydrogen 2.923 N/A GLU 412.A N GLY 408.A O no hydrogen 2.930 N/A ALA 413.A N LYS 409.A O no hydrogen 2.916 N/A THR 414.A N ALA 410.A O no hydrogen 2.906 N/A THR 414.A OG1 ALA 410.A O no hydrogen 2.965 N/A VAL 415.A N PHE 411.A O no hydrogen 2.930 N/A ARG 416.A N GLU 412.A O no hydrogen 2.936 N/A GLY 417.A N ALA 413.A O no hydrogen 2.903 N/A ALA 418.A N THR 414.A O no hydrogen 2.885 N/A LYS 419.A N VAL 415.A O no hydrogen 2.922 N/A ARG 420.A N ARG 416.A O no hydrogen 2.905 N/A MET 421.A N GLY 417.A O no hydrogen 2.887 N/A ALA 422.A N ALA 418.A O no hydrogen 2.862 N/A VAL 423.A N LYS 419.A O no hydrogen 2.953 N/A LEU 424.A N ARG 420.A O no hydrogen 2.972 N/A ALA 428.A N GLY 425.A O no hydrogen 3.393 N/A ASN 439.A ND2 SER 433.A O no hydrogen 3.436 N/A LYS 443.A NZ ASP 430.A OD1 no hydrogen 2.882 N/A LYS 443.A NZ ASP 430.A OD2 no hydrogen 3.130 N/A GLY 444.A N SER 440.A O no hydrogen 2.998 N/A ILE 445.A N LEU 441.A O no hydrogen 3.033 N/A HIS 446.A N GLY 442.A O no hydrogen 2.927 N/A GLN 447.A N LYS 443.A O no hydrogen 2.811 N/A ILE 448.A N GLY 444.A O no hydrogen 2.976 N/A PHE 449.A N ILE 445.A O no hydrogen 2.930 N/A GLY 450.A N HIS 446.A O no hydrogen 2.793 N/A ALA 451.A N GLN 447.A O no hydrogen 2.943 N/A ALA 452.A N ILE 448.A O no hydrogen 2.936 N/A LYS 454.A N GLY 450.A O no hydrogen 2.892 N/A LYS 454.A NZ ASP 197.A OD2 no hydrogen 3.356 N/A SER 455.A N ALA 451.A O no hydrogen 3.018 N/A LEU 456.A N PHE 453.A O no hydrogen 2.774 N/A PHE 457.A N PHE 453.A O no hydrogen 2.757 N/A SER 461.A N SER 464.A OG no hydrogen 2.804 N/A SER 461.A OG SER 464.A OG no hydrogen 2.580 N/A SER 464.A N SER 461.A OG no hydrogen 3.192 N/A SER 464.A OG SER 461.A OG no hydrogen 2.580 N/A LEU 467.A N PHE 463.A O no hydrogen 3.010 N/A ILE 468.A N SER 464.A O no hydrogen 2.889 N/A GLY 469.A N GLN 465.A O no hydrogen 2.847 N/A THR 470.A N ILE 466.A O no hydrogen 2.920 N/A THR 470.A OG1 ILE 466.A O no hydrogen 3.034 N/A LEU 471.A N LEU 467.A O no hydrogen 2.957 N/A LEU 472.A N ILE 468.A O no hydrogen 2.920 N/A MET 473.A N GLY 469.A O no hydrogen 2.826 N/A TRP 474.A N THR 470.A O no hydrogen 2.950 N/A LEU 475.A N LEU 471.A O no hydrogen 2.958 N/A GLY 476.A N LEU 472.A O no hydrogen 2.877 N/A GLY 482.A N ASN 481.A OD1 no hydrogen 2.718 N/A CYS 488.A N ILE 484.A O no hydrogen 2.987 N/A CYS 488.A SG GLY 476.A O no hydrogen 4.038 N/A LEU 489.A N SER 485.A O no hydrogen 2.870 N/A ALA 490.A N LEU 486.A O no hydrogen 3.067 N/A LEU 491.A N MET 487.A O no hydrogen 2.833 N/A GLY 492.A N CYS 488.A O no hydrogen 2.929 N/A GLY 493.A N LEU 489.A O no hydrogen 2.896 N/A VAL 494.A N LEU 491.A O no hydrogen 3.380 N/A LEU 495.A N LEU 491.A O no hydrogen 2.927 N/A ILE 496.A N GLY 492.A O no hydrogen 3.057 N/A LEU 498.A N LEU 495.A O no hydrogen 3.169 N/A SER 499.A N LEU 495.A O no hydrogen 2.851 N/A SER 499.A OG LEU 495.A O no hydrogen 3.557 N/A SER 499.A OG ILE 496.A O no hydrogen 2.967 N/A