Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kjv_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N GLU 3.A OE1 no hydrogen 3.028 N/A VAL 7.A N ASP 111.A OD2 no hydrogen 3.402 N/A LYS 10.A N ARG 80.A O no hydrogen 3.042 N/A MET 13.A N LYS 10.A O no hydrogen 3.223 N/A GLY 15.A N ASP 14.A OD1 no hydrogen 2.837 N/A VAL 18.A N ASN 54.A O no hydrogen 2.846 N/A GLN 20.A NE2 TRP 21.A O no hydrogen 2.757 N/A GLN 20.A NE2 VAL 57.A O no hydrogen 2.868 N/A LYS 27.A N THR 24.A OG1 no hydrogen 3.378 N/A ILE 28.A N THR 24.A O no hydrogen 2.766 N/A LYS 29.A N GLU 25.A O no hydrogen 2.874 N/A ALA 30.A N GLU 26.A O no hydrogen 3.082 N/A LEU 31.A N LYS 27.A O no hydrogen 2.794 N/A VAL 32.A N ILE 28.A O no hydrogen 2.574 N/A GLU 33.A N LYS 29.A O no hydrogen 3.044 N/A ILE 34.A N ALA 30.A O no hydrogen 3.300 N/A CYS 35.A N LEU 31.A O no hydrogen 2.990 N/A THR 36.A N VAL 32.A O no hydrogen 3.251 N/A THR 36.A OG1 VAL 32.A O no hydrogen 3.087 N/A MET 38.A N ILE 34.A O no hydrogen 2.968 N/A GLU 39.A N CYS 35.A O no hydrogen 3.040 N/A GLU 39.A N THR 36.A O no hydrogen 3.316 N/A LYS 40.A N THR 36.A O no hydrogen 3.023 N/A GLU 41.A N GLU 37.A O no hydrogen 2.892 N/A GLY 42.A N GLU 39.A O no hydrogen 2.821 N/A LYS 43.A N MET 38.A O no hydrogen 3.182 N/A LYS 43.A NZ GLU 41.A OE2 no hydrogen 3.376 N/A ILE 44.A N MET 38.A O no hydrogen 2.765 N/A SER 45.A N GLN 135.A O no hydrogen 3.042 N/A LYS 46.A NZ GLU 39.A OE2 no hydrogen 3.345 N/A ILE 47.A N ARG 133.A O no hydrogen 2.881 N/A GLU 50.A N GLU 50.A OE2 no hydrogen 2.609 N/A ASN 51.A ND2 LYS 116.A O no hydrogen 3.052 N/A ASN 51.A ND2 GLN 135.A OE1 no hydrogen 3.693 N/A TYR 53.A N ASN 51.A OD1 no hydrogen 3.055 N/A TYR 53.A OH ASP 14.A OD1 no hydrogen 2.692 N/A ASN 54.A N PRO 16.A O no hydrogen 2.912 N/A ASN 54.A ND2 VAL 18.A O no hydrogen 2.332 N/A THR 55.A N ALA 119.A O no hydrogen 3.150 N/A VAL 57.A N GLN 20.A OE1 no hydrogen 2.893 N/A ILE 60.A N ARG 69.A O no hydrogen 2.704 N/A ARG 69.A N ILE 60.A O no hydrogen 2.677 N/A LYS 70.A NZ TYR 136.A OH no hydrogen 2.892 N/A ASP 73.A N PRO 56.A O no hydrogen 3.247 N/A PHE 74.A N VAL 72.A O no hydrogen 2.772 N/A ARG 75.A N ASP 73.A OD1 no hydrogen 3.362 N/A ARG 75.A NH1 PRO 381.A O no hydrogen 3.418 N/A ASN 78.A N PHE 74.A O no hydrogen 2.480 N/A ASN 78.A ND2 GLY 142.A O no hydrogen 3.274 N/A LYS 79.A N ARG 75.A O no hydrogen 3.123 N/A LYS 79.A NZ GLU 76.A OE2 no hydrogen 3.208 N/A LYS 79.A NZ GLU 382.A OE1 no hydrogen 2.716 N/A ARG 80.A N LEU 77.A O no hydrogen 3.299 N/A ARG 80.A N ASN 78.A O no hydrogen 2.621 N/A ARG 80.A NH1 ASP 14.A O no hydrogen 2.515 N/A ARG 80.A NH2 GLU 76.A OE1 no hydrogen 2.846 N/A THR 81.A N ASN 78.A O no hydrogen 3.113 N/A THR 81.A OG1 LEU 77.A O no hydrogen 2.714 N/A THR 81.A OG1 ASN 78.A O no hydrogen 3.227 N/A GLN 82.A N LYS 8.A O no hydrogen 3.287 N/A HIS 86.A NE2 VAL 350.A O no hydrogen 3.180 N/A LYS 92.A N GLY 89.A O no hydrogen 3.302 N/A SER 95.A N SER 181.A O no hydrogen 3.282 N/A VAL 96.A N LEU 203.A O no hydrogen 2.621 N/A THR 97.A N VAL 179.A O no hydrogen 2.893 N/A THR 97.A OG1 HIS 188.A NE2 no hydrogen 2.532 N/A LEU 99.A N LEU 177.A O no hydrogen 2.858 N/A TYR 105.A N GLY 102.A O no hydrogen 3.192 N/A TYR 105.A OH MET 174.A O no hydrogen 2.535 N/A SER 107.A N ALA 104.A O no hydrogen 3.229 N/A SER 107.A OG ALA 104.A O no hydrogen 2.548 N/A VAL 108.A N TYR 105.A O no hydrogen 3.269 N/A ASP 113.A N ASP 111.A OD1 no hydrogen 3.304 N/A PHE 114.A N ASP 111.A O no hydrogen 2.885 N/A ARG 115.A N ASP 111.A O no hydrogen 3.218 N/A ARG 115.A N GLU 112.A O no hydrogen 2.822 N/A TYR 117.A N PHE 114.A O no hydrogen 2.823 N/A THR 118.A N ARG 115.A O no hydrogen 2.919 N/A THR 118.A OG1 ARG 115.A O no hydrogen 2.531 N/A THR 118.A OG1 TYR 136.A O no hydrogen 3.535 N/A PHE 120.A N TYR 134.A O no hydrogen 2.970 N/A THR 121.A OG1 ASN 54.A OD1 no hydrogen 2.923 N/A ILE 122.A N ILE 132.A O no hydrogen 2.970 N/A ASN 127.A N SER 124.A O no hydrogen 2.712 N/A GLU 128.A N SER 124.A OG no hydrogen 3.147 N/A THR 129.A N SER 124.A OG no hydrogen 3.181 N/A THR 129.A OG1 PRO 130.A O no hydrogen 2.625 N/A ILE 132.A N ILE 122.A O no hydrogen 3.312 N/A ARG 133.A NE GLY 48.A O no hydrogen 3.314 N/A ARG 133.A NH1 TYR 53.A O no hydrogen 3.201 N/A ARG 133.A NH2 TYR 53.A O no hydrogen 2.970 N/A TYR 134.A N PHE 120.A O no hydrogen 3.097 N/A GLN 135.A N SER 45.A O no hydrogen 3.018 N/A TYR 136.A N THR 118.A OG1 no hydrogen 2.870 N/A ASN 137.A N LYS 43.A O no hydrogen 3.052 N/A LEU 139.A N VAL 108.A O no hydrogen 3.075 N/A GLN 141.A NE2 ASP 103.A OD2 no hydrogen 3.255 N/A GLY 142.A N ASP 175.A OD1 no hydrogen 3.077 N/A TRP 143.A NE1 THR 81.A OG1 no hydrogen 3.298 N/A LYS 144.A N ASN 78.A OD1 no hydrogen 2.634 N/A LYS 144.A NZ ASN 78.A O no hydrogen 3.250 N/A LYS 144.A NZ THR 81.A O no hydrogen 2.458 N/A SER 146.A N TRP 143.A O no hydrogen 3.267 N/A SER 146.A OG PRO 140.A O no hydrogen 2.375 N/A ILE 149.A N GLY 145.A O no hydrogen 2.915 N/A PHE 150.A N SER 146.A O no hydrogen 2.928 N/A GLN 151.A N PRO 147.A O no hydrogen 2.911 N/A GLN 151.A N ALA 148.A O no hydrogen 3.158 N/A SER 152.A OG SER 153.A OG no hydrogen 2.730 N/A SER 153.A N PHE 150.A O no hydrogen 2.595 N/A SER 153.A OG SER 152.A OG no hydrogen 2.730 N/A MET 154.A N PHE 150.A O no hydrogen 2.859 N/A THR 155.A N GLN 151.A O no hydrogen 2.732 N/A ILE 157.A N SER 153.A O no hydrogen 2.863 N/A LEU 158.A N MET 154.A O no hydrogen 2.667 N/A GLU 159.A N THR 155.A O no hydrogen 2.863 N/A GLU 159.A N LYS 156.A O no hydrogen 3.321 N/A ARG 162.A N LEU 158.A O no hydrogen 2.826 N/A LYS 163.A N GLU 159.A O no hydrogen 3.026 N/A GLN 164.A N PRO 160.A O no hydrogen 2.877 N/A ASN 165.A N PHE 161.A O no hydrogen 3.239 N/A ASN 165.A ND2 GLU 194.A OE1 no hydrogen 3.357 N/A VAL 169.A N GLY 180.A O no hydrogen 3.212 N/A TYR 171.A N TYR 178.A O no hydrogen 2.492 N/A ASP 176.A N TYR 173.A O no hydrogen 3.135 N/A LEU 177.A N LEU 99.A O no hydrogen 2.890 N/A TYR 178.A N TYR 171.A O no hydrogen 2.609 N/A TYR 178.A OH ASP 176.A OD1 no hydrogen 3.163 N/A VAL 179.A N THR 97.A O no hydrogen 2.938 N/A GLY 180.A N VAL 169.A O no hydrogen 2.716 N/A SER 181.A N SER 95.A O no hydrogen 3.185 N/A SER 181.A OG HIS 188.A ND1 no hydrogen 2.664 N/A LEU 183.A N SER 181.A OG no hydrogen 3.269 N/A GLN 187.A N GLU 184.A O no hydrogen 2.781 N/A HIS 188.A N GLU 184.A O no hydrogen 2.801 N/A HIS 188.A ND1 SER 181.A OG no hydrogen 2.664 N/A HIS 188.A NE2 THR 97.A OG1 no hydrogen 2.532 N/A THR 190.A OG1 GLY 186.A O no hydrogen 2.555 N/A LYS 191.A N HIS 188.A O no hydrogen 2.906 N/A ILE 192.A N HIS 188.A O no hydrogen 2.851 N/A GLU 193.A N ARG 189.A O no hydrogen 2.736 N/A GLU 194.A N THR 190.A O no hydrogen 3.215 N/A LEU 195.A N LYS 191.A O no hydrogen 2.795 N/A ARG 196.A N ILE 192.A O no hydrogen 3.123 N/A GLN 197.A N GLU 193.A O no hydrogen 3.020 N/A GLN 197.A NE2 GLU 193.A OE1 no hydrogen 2.727 N/A HIS 198.A N GLU 194.A O no hydrogen 3.193 N/A HIS 198.A N LEU 195.A O no hydrogen 2.887 N/A HIS 198.A NE2 ILE 157.A O no hydrogen 2.597 N/A LEU 199.A N LEU 195.A O no hydrogen 2.782 N/A ARG 201.A NE LEU 200.A O no hydrogen 2.363 N/A ARG 201.A NH2 GLN 197.A O no hydrogen 2.960 N/A LEU 203.A N VAL 96.A O no hydrogen 2.909 N/A LYS 207.A N HIS 204.A O no hydrogen 3.151 N/A TRP 208.A N PRO 205.A O no hydrogen 3.095 N/A THR 209.A OG1 VAL 210.A O no hydrogen 3.528 N/A GLN 211.A N THR 320.A O no hydrogen 3.286 N/A LYS 218.A NZ ASP 225.A OD1 no hydrogen 3.120 N/A VAL 223.A N GLU 260.A O no hydrogen 3.283 N/A ASN 224.A N LEU 258.A O no hydrogen 3.358 N/A ASP 225.A N THR 222.A OG1 no hydrogen 3.117 N/A ILE 226.A N THR 222.A O no hydrogen 2.760 N/A GLN 227.A N VAL 223.A O no hydrogen 2.612 N/A LYS 228.A N ASN 224.A O no hydrogen 2.911 N/A VAL 230.A N ILE 226.A O no hydrogen 2.676 N/A GLY 231.A N GLN 227.A O no hydrogen 3.216 N/A LYS 232.A N LYS 228.A O no hydrogen 3.432 N/A LYS 232.A NZ VAL 214.A O no hydrogen 2.951 N/A LEU 233.A N LEU 229.A O no hydrogen 2.767 N/A ASN 234.A N VAL 230.A O no hydrogen 2.650 N/A TRP 235.A N LYS 232.A O no hydrogen 2.810 N/A ALA 236.A N LYS 232.A O no hydrogen 2.964 N/A SER 237.A N LEU 233.A O no hydrogen 2.893 N/A ILE 239.A N ALA 236.A O no hydrogen 2.647 N/A TYR 240.A N ALA 236.A O no hydrogen 2.764 N/A GLN 247.A N GLU 271.A OE2 no hydrogen 2.945 N/A LEU 248.A N VAL 245.A O no hydrogen 2.926 N/A SER 249.A N VAL 245.A O no hydrogen 2.890 N/A SER 249.A OG VAL 245.A O no hydrogen 2.671 N/A LEU 251.A N LEU 248.A O no hydrogen 3.185 N/A GLU 260.A N ALA 257.A O no hydrogen 2.951 N/A ILE 262.A N TRP 221.A O no hydrogen 2.800 N/A GLU 269.A N THR 265.A O no hydrogen 2.891 N/A LEU 270.A N GLU 267.A O no hydrogen 2.505 N/A GLU 271.A N GLU 267.A O no hydrogen 2.561 N/A LEU 272.A N ALA 268.A O no hydrogen 3.103 N/A GLU 274.A N LEU 270.A O no hydrogen 2.644 N/A ASN 275.A N GLU 271.A O no hydrogen 2.811 N/A ASN 275.A ND2 LYS 244.A O no hydrogen 2.704 N/A ARG 276.A N LEU 272.A O no hydrogen 3.079 N/A ARG 276.A NE LEU 215.A O no hydrogen 3.627 N/A ARG 276.A NH2 PRO 216.A O no hydrogen 3.189 N/A ILE 278.A N GLU 274.A O no hydrogen 3.221 N/A LEU 279.A N ASN 275.A O no hydrogen 3.228 N/A LYS 280.A N GLU 277.A O no hydrogen 2.760 N/A LYS 280.A NZ ARG 276.A O no hydrogen 3.159 N/A LYS 280.A NZ GLU 277.A OE1 no hydrogen 3.085 N/A GLU 281.A N ILE 278.A O no hydrogen 3.156 N/A SER 291.A N ASP 289.A OD1 no hydrogen 2.591 N/A SER 291.A OG ASP 289.A OD1 no hydrogen 2.932 N/A ILE 295.A N TYR 311.A O no hydrogen 2.827 N/A ALA 296.A N LYS 357.A O no hydrogen 2.885 N/A GLU 297.A N GLN 309.A O no hydrogen 3.184 N/A GLN 299.A N THR 307.A O no hydrogen 2.866 N/A GLN 299.A NE2 GLN 309.A OE1 no hydrogen 2.818 N/A LYS 300.A NZ ASP 333.A OD1 no hydrogen 2.944 N/A GLN 301.A N GLN 305.A O no hydrogen 2.991 N/A GLN 301.A NE2 THR 307.A OG1 no hydrogen 2.439 N/A TRP 306.A N TYR 323.A O no hydrogen 2.688 N/A TRP 306.A NE1 GLN 336.A OE1 no hydrogen 3.095 N/A THR 307.A N GLN 299.A O no hydrogen 3.159 N/A THR 307.A OG1 GLN 299.A OE1 no hydrogen 2.883 N/A TYR 308.A N GLY 321.A O no hydrogen 2.966 N/A TYR 308.A OH GLU 347.A OE2 no hydrogen 3.007 N/A GLN 309.A N GLU 297.A O no hydrogen 3.063 N/A GLN 309.A NE2 GLN 299.A OE1 no hydrogen 3.375 N/A ILE 310.A N LYS 319.A O no hydrogen 2.883 N/A TYR 311.A N ILE 295.A O no hydrogen 2.837 N/A TYR 311.A OH GLU 297.A OE2 no hydrogen 3.123 N/A GLN 312.A NE2 ASP 289.A O no hydrogen 2.638 N/A LYS 316.A N GLU 313.A O no hydrogen 3.038 N/A ASN 317.A ND2 TYR 396.A OH no hydrogen 2.929 N/A LEU 318.A N ILE 310.A O no hydrogen 2.601 N/A LYS 319.A NZ TYR 308.A OH no hydrogen 3.226 N/A LYS 319.A NZ GLU 347.A OE2 no hydrogen 3.301 N/A THR 320.A OG1 GLN 211.A O no hydrogen 2.793 N/A GLY 321.A N TYR 308.A O no hydrogen 2.754 N/A TYR 323.A N TRP 306.A O no hydrogen 2.585 N/A ARG 325.A N GLY 304.A O no hydrogen 2.916 N/A ARG 325.A NE GLU 339.A OE1 no hydrogen 3.499 N/A LYS 335.A NZ GLU 339.A OE2 no hydrogen 2.882 N/A GLN 336.A N ASN 332.A O no hydrogen 2.879 N/A GLN 336.A NE2 MET 326.A O no hydrogen 3.234 N/A LEU 337.A N ASP 333.A O no hydrogen 2.674 N/A THR 338.A N VAL 334.A O no hydrogen 2.690 N/A THR 338.A OG1 VAL 334.A O no hydrogen 2.556 N/A GLU 339.A N LYS 335.A O no hydrogen 2.796 N/A ALA 340.A N GLN 336.A O no hydrogen 2.675 N/A VAL 341.A N LEU 337.A O no hydrogen 2.900 N/A GLN 342.A N THR 338.A O no hydrogen 3.291 N/A LYS 343.A N GLU 339.A O no hydrogen 2.990 N/A LYS 343.A NZ TYR 308.A OH no hydrogen 2.898 N/A ILE 344.A N ALA 340.A O no hydrogen 2.908 N/A THR 345.A N VAL 341.A O no hydrogen 3.002 N/A THR 345.A OG1 VAL 341.A O no hydrogen 2.746 N/A THR 346.A N LYS 343.A O no hydrogen 2.912 N/A THR 346.A OG1 GLN 342.A O no hydrogen 2.601 N/A GLU 347.A N LYS 343.A O no hydrogen 3.179 N/A SER 348.A N ILE 344.A O no hydrogen 2.811 N/A SER 348.A OG ILE 344.A O no hydrogen 2.914 N/A ILE 349.A N THR 345.A O no hydrogen 3.031 N/A VAL 350.A N THR 346.A O no hydrogen 2.896 N/A ILE 351.A N GLU 347.A O no hydrogen 2.836 N/A TRP 352.A N SER 348.A O no hydrogen 3.137 N/A GLY 353.A N ILE 349.A O no hydrogen 2.794 N/A LYS 354.A NZ PRO 290.A O no hydrogen 3.409 N/A LYS 357.A N LEU 294.A O no hydrogen 2.483 N/A LYS 357.A NZ GLU 384.A OE1 no hydrogen 3.561 N/A PHE 358.A N GLU 382.A O no hydrogen 2.823 N/A LYS 359.A N ALA 296.A O no hydrogen 2.881 N/A LEU 360.A N GLU 384.A O no hydrogen 2.609 N/A ILE 362.A N LEU 360.A O no hydrogen 2.937 N/A TRP 367.A N GLN 363.A O no hydrogen 2.891 N/A GLU 368.A N LYS 364.A O no hydrogen 2.795 N/A THR 369.A N GLU 365.A O no hydrogen 2.943 N/A THR 369.A N THR 366.A O no hydrogen 3.238 N/A THR 369.A OG1 GLU 365.A O no hydrogen 2.298 N/A THR 369.A OG1 THR 366.A O no hydrogen 3.307 N/A TRP 370.A N TRP 367.A O no hydrogen 3.402 N/A TRP 371.A N TRP 367.A O no hydrogen 3.068 N/A GLU 373.A N TRP 370.A O no hydrogen 2.638 N/A TRP 375.A NE1 TRP 379.A O no hydrogen 3.042 N/A GLN 376.A NE2 LYS 62.A O no hydrogen 2.506 N/A GLN 376.A NE2 GLN 376.A O no hydrogen 3.389 N/A THR 378.A OG1 ASP 176.A OD2 no hydrogen 3.038 N/A TRP 379.A NE1 ASP 176.A OD1 no hydrogen 2.707 N/A GLU 384.A N PHE 358.A O no hydrogen 2.728 N/A VAL 386.A N LEU 360.A O no hydrogen 2.778 N/A LEU 394.A N LEU 391.A O no hydrogen 2.643 N/A GLN 397.A N LEU 394.A O no hydrogen 3.324 N/A GLN 397.A NE2 GLN 301.A OE1 no hydrogen 3.032 N/A