Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u6k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ THR 64.A O no hydrogen 2.561 N/A VAL 5.A N HIS 68.A O no hydrogen 3.099 N/A ASN 6.A N ASP 92.A OD2 no hydrogen 2.770 N/A VAL 7.A N ALA 70.A O no hydrogen 3.015 N/A THR 9.A N VAL 72.A O no hydrogen 3.239 N/A THR 9.A OG1 LYS 17.A O no hydrogen 3.466 N/A THR 9.A OG1 THR 21.A OG1 no hydrogen 3.186 N/A THR 9.A OG1 HIS 71.A NE2 no hydrogen 3.153 N/A THR 9.A OG1 ASP 73.A OD1 no hydrogen 2.841 N/A ILE 10.A N ILE 95.A O no hydrogen 2.744 N/A HIS 15.A N HIS 12.A O no hydrogen 3.408 N/A LYS 17.A NZ GLY 11.A O no hydrogen 2.494 N/A LYS 17.A NZ HIS 12.A O no hydrogen 2.982 N/A THR 18.A OG1 ASP 73.A OD2 no hydrogen 3.332 N/A THR 19.A N GLY 16.A O no hydrogen 3.005 N/A LEU 20.A N GLY 16.A O no hydrogen 2.823 N/A THR 21.A N LYS 17.A O no hydrogen 3.122 N/A THR 21.A OG1 LYS 17.A O no hydrogen 2.763 N/A THR 21.A OG1 HIS 71.A NE2 no hydrogen 2.928 N/A ALA 22.A N THR 18.A O no hydrogen 3.167 N/A ALA 23.A N THR 19.A O no hydrogen 2.634 N/A ILE 24.A N LEU 20.A O no hydrogen 2.873 N/A THR 25.A N THR 21.A O no hydrogen 3.425 N/A THR 25.A OG1 ALA 35.A O no hydrogen 3.403 N/A THR 26.A N ALA 23.A O no hydrogen 2.958 N/A THR 26.A OG1 ALA 22.A O no hydrogen 2.672 N/A VAL 27.A N ALA 23.A O no hydrogen 2.605 N/A LEU 28.A N ILE 24.A O no hydrogen 2.888 N/A LYS 30.A N THR 26.A O no hydrogen 3.242 N/A LYS 30.A NZ GLU 178.A OE2 no hydrogen 3.308 N/A THR 31.A N VAL 27.A O no hydrogen 2.841 N/A THR 31.A OG1 VAL 27.A O no hydrogen 3.263 N/A GLY 33.A N LEU 28.A O no hydrogen 3.139 N/A ILE 42.A N ALA 38.A O no hydrogen 2.816 N/A ILE 42.A N PHE 39.A O no hydrogen 2.872 N/A ASP 43.A N PHE 39.A O no hydrogen 2.775 N/A ASN 44.A N ASP 40.A O no hydrogen 3.410 N/A GLU 48.A N ILE 55.A O no hydrogen 3.155 N/A ALA 50.A N ILE 53.A O no hydrogen 2.901 N/A ARG 51.A NH1 THR 375.A OG1 no hydrogen 3.406 N/A ILE 53.A N ALA 50.A O no hydrogen 2.977 N/A ILE 55.A N GLU 48.A O no hydrogen 3.113 N/A ASN 56.A N ASP 79.A OD1 no hydrogen 2.699 N/A THR 57.A N PRO 46.A O no hydrogen 3.067 N/A THR 57.A OG1 ASN 83.A OD1 no hydrogen 2.956 N/A SER 58.A N ASP 73.A O no hydrogen 2.852 N/A SER 58.A OG ILE 42.A O no hydrogen 2.696 N/A VAL 60.A N HIS 71.A O no hydrogen 2.963 N/A TYR 62.A N TYR 69.A O no hydrogen 3.153 N/A TYR 62.A OH HIS 71.A ND1 no hydrogen 3.210 N/A THR 64.A N ARG 67.A O no hydrogen 2.994 N/A THR 64.A OG1 ARG 67.A O no hydrogen 3.189 N/A THR 64.A OG1 ASP 189.A OD1 no hydrogen 2.719 N/A THR 64.A OG1 ASP 189.A OD2 no hydrogen 3.496 N/A THR 66.A OG1 ASP 189.A OD1 no hydrogen 3.490 N/A ARG 67.A N THR 64.A OG1 no hydrogen 3.046 N/A ARG 67.A NH1 TYR 69.A OH no hydrogen 3.356 N/A ARG 67.A NH1 ILE 192.A O no hydrogen 2.955 N/A ARG 67.A NH2 ILE 192.A O no hydrogen 2.457 N/A HIS 68.A N PRO 3.A O no hydrogen 3.146 N/A TYR 69.A N TYR 62.A O no hydrogen 2.951 N/A TYR 69.A OH ASP 189.A OD1 no hydrogen 2.948 N/A ALA 70.A N VAL 5.A O no hydrogen 3.071 N/A HIS 71.A N VAL 60.A O no hydrogen 2.609 N/A HIS 71.A ND1 TYR 62.A OH no hydrogen 3.210 N/A HIS 71.A NE2 THR 9.A OG1 no hydrogen 3.153 N/A VAL 72.A N VAL 7.A O no hydrogen 2.901 N/A ASP 73.A N SER 58.A O no hydrogen 3.042 N/A CYS 74.A N TYR 80.A OH no hydrogen 2.810 N/A CYS 74.A SG ASN 56.A O no hydrogen 3.500 N/A CYS 74.A SG THR 57.A OG1 no hydrogen 3.607 N/A CYS 74.A SG ASN 83.A OD1 no hydrogen 3.157 N/A GLY 76.A N ASP 79.A OD2 no hydrogen 3.174 N/A TYR 80.A N GLY 76.A O no hydrogen 3.356 N/A TYR 80.A OH THR 9.A O no hydrogen 3.147 N/A TYR 80.A OH CYS 74.A O no hydrogen 3.081 N/A VAL 81.A N HIS 77.A O no hydrogen 2.988 N/A LYS 82.A N ALA 78.A O no hydrogen 2.979 N/A LYS 82.A NZ THR 54.A O no hydrogen 2.646 N/A ASN 83.A N ASP 79.A O no hydrogen 2.858 N/A MET 84.A N TYR 80.A O no hydrogen 2.863 N/A ILE 85.A N VAL 81.A O no hydrogen 3.077 N/A THR 86.A N LYS 82.A O no hydrogen 2.911 N/A GLY 87.A N ASN 83.A O no hydrogen 3.127 N/A ASP 92.A N ASN 6.A O no hydrogen 2.637 N/A GLY 93.A N ASN 6.A O no hydrogen 3.192 N/A ALA 94.A N TYR 122.A O no hydrogen 2.841 N/A ILE 95.A N GLY 8.A O no hydrogen 2.812 N/A LEU 96.A N ILE 124.A O no hydrogen 2.780 N/A VAL 97.A N ILE 10.A O no hydrogen 2.888 N/A VAL 98.A N PHE 126.A O no hydrogen 2.942 N/A ALA 100.A N ASN 128.A O no hydrogen 2.676 N/A GLY 103.A N ALA 99.A O no hydrogen 3.400 N/A MET 105.A N THR 108.A OG1 no hydrogen 3.070 N/A GLN 107.A N HIS 12.A ND1 no hydrogen 2.773 N/A THR 108.A N MET 105.A O no hydrogen 2.512 N/A ARG 109.A NH1 TYR 153.A OH no hydrogen 2.702 N/A HIS 111.A N GLN 107.A O no hydrogen 2.738 N/A ILE 112.A N THR 108.A O no hydrogen 3.218 N/A LEU 113.A N ARG 109.A O no hydrogen 2.866 N/A LEU 114.A N GLU 110.A O no hydrogen 2.875 N/A GLY 115.A N HIS 111.A O no hydrogen 3.110 N/A ARG 116.A N ILE 112.A O no hydrogen 3.061 N/A ARG 116.A N LEU 113.A O no hydrogen 3.230 N/A GLN 117.A N LEU 113.A O no hydrogen 2.973 N/A VAL 118.A N LEU 114.A O no hydrogen 2.977 N/A VAL 120.A N GLY 115.A O no hydrogen 2.819 N/A ILE 124.A N ALA 94.A O no hydrogen 2.858 N/A VAL 125.A N PRO 161.A O no hydrogen 3.000 N/A PHE 126.A N LEU 96.A O no hydrogen 3.003 N/A LEU 127.A N VAL 163.A O no hydrogen 2.814 N/A ASN 128.A N VAL 98.A O no hydrogen 2.719 N/A ASN 128.A ND2 HIS 15.A O no hydrogen 2.835 N/A CYS 130.A N GLY 165.A O no hydrogen 3.358 N/A CYS 130.A SG LEU 127.A O no hydrogen 3.711 N/A MET 132.A N LYS 129.A O no hydrogen 3.420 N/A VAL 133.A N CYS 130.A O no hydrogen 2.600 N/A VAL 142.A N LEU 138.A O no hydrogen 2.709 N/A GLU 143.A N LEU 139.A O no hydrogen 3.367 N/A VAL 146.A N VAL 142.A O no hydrogen 2.988 N/A ARG 147.A N MET 144.A O no hydrogen 2.868 N/A ARG 147.A NH1 GLY 157.A O no hydrogen 2.569 N/A ARG 147.A NH1 THR 160.A O no hydrogen 2.872 N/A ARG 147.A NH2 THR 160.A O no hydrogen 3.373 N/A GLU 148.A N MET 144.A O no hydrogen 3.047 N/A LEU 149.A N GLU 145.A O no hydrogen 3.292 N/A LEU 150.A N VAL 146.A O no hydrogen 3.110 N/A SER 151.A N ARG 147.A O no hydrogen 3.049 N/A SER 151.A OG ARG 147.A O no hydrogen 3.021 N/A SER 151.A OG PHE 155.A O no hydrogen 3.408 N/A GLN 152.A N LEU 149.A O no hydrogen 2.974 N/A ASP 154.A N SER 151.A O no hydrogen 3.169 N/A PHE 155.A N LEU 150.A O no hydrogen 2.901 N/A GLY 157.A N SER 151.A OG no hydrogen 3.160 N/A ASP 159.A N PRO 156.A O no hydrogen 2.956 N/A THR 160.A N GLY 157.A O no hydrogen 3.404 N/A THR 160.A OG1 PRO 156.A O no hydrogen 2.523 N/A VAL 163.A N VAL 125.A O no hydrogen 2.904 N/A ARG 164.A NH1 GLU 143.A OE2 no hydrogen 3.292 N/A GLY 165.A N LEU 127.A O no hydrogen 3.132 N/A ALA 167.A N ASN 128.A OD1 no hydrogen 3.066 N/A LYS 169.A N SER 166.A OG no hydrogen 2.842 N/A LYS 169.A NZ ASP 131.A OD2 no hydrogen 2.958 N/A ALA 170.A N SER 166.A O no hydrogen 3.003 N/A LEU 171.A N ALA 167.A O no hydrogen 2.874 N/A LEU 171.A N LEU 168.A O no hydrogen 2.694 N/A GLU 172.A N LEU 168.A O no hydrogen 2.606 N/A GLY 173.A N LYS 169.A O no hydrogen 2.753 N/A ASP 174.A N LYS 169.A O no hydrogen 2.847 N/A TRP 177.A N ASP 174.A O no hydrogen 2.974 N/A GLU 178.A N ASP 174.A O no hydrogen 2.750 N/A LYS 180.A NZ ARG 164.A O no hydrogen 2.377 N/A LEU 182.A N GLU 178.A O no hydrogen 3.398 N/A GLU 183.A N ALA 179.A O no hydrogen 2.889 N/A LEU 184.A N LYS 180.A O no hydrogen 2.971 N/A ALA 185.A N ILE 181.A O no hydrogen 3.000 N/A GLY 186.A N LEU 182.A O no hydrogen 3.129 N/A PHE 187.A N LEU 184.A O no hydrogen 2.774 N/A LEU 188.A N LEU 184.A O no hydrogen 3.209 N/A ASP 189.A N ALA 185.A O no hydrogen 3.163 N/A SER 190.A N GLY 186.A O no hydrogen 2.801 N/A SER 190.A OG GLY 186.A O no hydrogen 2.576 N/A TYR 191.A N PHE 187.A O no hydrogen 2.698 N/A ASP 200.A N ARG 197.A O no hydrogen 2.836 N/A LYS 201.A N ALA 198.A O no hydrogen 3.137 N/A LEU 204.A N ARG 226.A O no hydrogen 3.062 N/A LEU 205.A N LEU 285.A O no hydrogen 2.659 N/A ILE 207.A N GLN 283.A O no hydrogen 3.014 N/A GLU 208.A N THR 221.A O no hydrogen 2.651 N/A ASP 209.A N THR 221.A OG1 no hydrogen 3.042 N/A PHE 211.A N VAL 219.A O no hydrogen 2.839 N/A ILE 213.A N GLY 217.A O no hydrogen 2.822 N/A ARG 216.A N ILE 213.A O no hydrogen 2.943 N/A ARG 216.A NH1 GLY 215.A O no hydrogen 2.931 N/A GLY 217.A N ILE 213.A O no hydrogen 3.051 N/A THR 218.A N LEU 271.A O no hydrogen 3.250 N/A THR 218.A OG1 ILE 274.A O no hydrogen 3.333 N/A VAL 219.A N PHE 211.A O no hydrogen 2.677 N/A VAL 220.A N VAL 269.A O no hydrogen 3.207 N/A THR 221.A N ASP 209.A O no hydrogen 2.610 N/A THR 221.A OG1 ASP 209.A OD2 no hydrogen 3.520 N/A GLY 222.A N VAL 267.A O no hydrogen 3.214 N/A VAL 224.A N GLU 265.A O no hydrogen 2.812 N/A GLU 225.A N LEU 204.A O no hydrogen 3.072 N/A ARG 226.A NE PRO 202.A O no hydrogen 2.957 N/A GLY 227.A N ALA 198.A O no hydrogen 2.855 N/A ILE 229.A N GLY 261.A O no hydrogen 3.003 N/A LYS 230.A N GLU 233.A OE1 no hydrogen 3.258 N/A VAL 231.A N ASP 259.A O no hydrogen 3.123 N/A GLY 232.A N CYS 248.A O no hydrogen 2.540 N/A GLU 233.A N LYS 230.A O no hydrogen 3.167 N/A VAL 235.A N SER 246.A O no hydrogen 2.826 N/A GLU 236.A N ALA 286.A O no hydrogen 2.914 N/A ILE 237.A N GLN 244.A O no hydrogen 2.941 N/A VAL 238.A N VAL 284.A O no hydrogen 2.847 N/A ILE 240.A N PRO 358.A O no hydrogen 2.463 N/A LYS 241.A NZ GLU 278.A O no hydrogen 3.164 N/A GLN 244.A N ILE 237.A O no hydrogen 3.385 N/A GLN 244.A NE2 GLU 278.A O no hydrogen 3.463 N/A SER 246.A N VAL 235.A O no hydrogen 2.967 N/A SER 246.A OG THR 247.A O no hydrogen 3.443 N/A SER 246.A OG ARG 272.A O no hydrogen 3.181 N/A CYS 248.A N GLU 233.A O no hydrogen 2.866 N/A CYS 248.A SG GLY 250.A O no hydrogen 3.681 N/A THR 249.A N LEU 270.A O no hydrogen 3.089 N/A GLU 252.A N GLY 268.A O no hydrogen 2.867 N/A MET 253.A N LYS 256.A O no hydrogen 2.756 N/A ARG 255.A NH1 GLU 252.A OE2 no hydrogen 3.335 N/A LYS 256.A N MET 253.A O no hydrogen 2.849 N/A LEU 258.A N VAL 251.A O no hydrogen 2.818 N/A GLY 261.A N ILE 229.A O no hydrogen 2.829 N/A ARG 262.A N GLU 265.A OE1 no hydrogen 2.673 N/A ARG 262.A NH1 GLU 260.A OE2 no hydrogen 2.655 N/A ALA 263.A N GLY 227.A O no hydrogen 3.000 N/A GLY 264.A N VAL 224.A O no hydrogen 2.839 N/A GLU 265.A N ARG 262.A O no hydrogen 3.132 N/A VAL 267.A N GLY 222.A O no hydrogen 2.853 N/A GLY 268.A N GLU 252.A O no hydrogen 2.709 N/A VAL 269.A N VAL 220.A O no hydrogen 3.067 N/A LEU 270.A N GLY 250.A O no hydrogen 2.837 N/A LEU 271.A N THR 218.A O no hydrogen 2.888 N/A ARG 272.A N THR 247.A O no hydrogen 3.323 N/A LYS 275.A N GLU 278.A OE2 no hydrogen 2.666 N/A LYS 275.A NZ GLY 273.A O no hydrogen 2.858 N/A ARG 276.A NH1 ARG 276.A O no hydrogen 3.323 N/A GLU 278.A N LYS 275.A O no hydrogen 3.248 N/A ILE 279.A N ARG 276.A O no hydrogen 3.117 N/A GLU 280.A N GLN 283.A OE1 no hydrogen 2.876 N/A GLN 283.A N GLU 280.A O no hydrogen 3.020 N/A GLN 283.A NE2 GLY 239.A O no hydrogen 2.839 N/A VAL 284.A N VAL 238.A O no hydrogen 3.103 N/A LEU 285.A N LEU 205.A O no hydrogen 2.866 N/A ALA 286.A N GLU 236.A O no hydrogen 3.094 N/A LYS 287.A N PHE 203.A O no hydrogen 2.806 N/A GLY 289.A N GLU 236.A OE2 no hydrogen 2.684 N/A THR 290.A OG1 LYS 287.A O no hydrogen 2.573 N/A HIS 294.A N ILE 359.A O no hydrogen 2.981 N/A THR 295.A N GLY 386.A O no hydrogen 2.838 N/A THR 295.A OG1 GLY 386.A O no hydrogen 3.141 N/A LYS 296.A N GLY 386.A O no hydrogen 3.243 N/A PHE 297.A N VAL 353.A O no hydrogen 3.019 N/A GLU 298.A N LYS 383.A O no hydrogen 2.901 N/A SER 299.A N MET 351.A O no hydrogen 2.890 N/A SER 299.A OG MET 351.A O no hydrogen 3.176 N/A GLU 300.A N VAL 380.A O no hydrogen 3.086 N/A VAL 301.A N ILE 349.A O no hydrogen 2.917 N/A TYR 302.A N ALA 378.A O no hydrogen 2.914 N/A TYR 302.A OH GLU 308.A OE2 no hydrogen 2.289 N/A ILE 303.A N ASP 347.A O no hydrogen 2.909 N/A LEU 304.A N VAL 376.A O no hydrogen 2.912 N/A SER 305.A N GLU 308.A OE2 no hydrogen 3.235 N/A GLU 308.A N SER 305.A O no hydrogen 3.058 N/A GLY 309.A N LYS 306.A O no hydrogen 2.985 N/A GLY 310.A N SER 305.A O no hydrogen 3.053 N/A ARG 311.A NH1 GLU 371.A O no hydrogen 3.456 N/A ARG 311.A NH2 GLU 371.A O no hydrogen 2.945 N/A PHE 315.A N VAL 343.A O no hydrogen 2.881 N/A LYS 317.A N GLU 341.A O no hydrogen 3.411 N/A GLN 322.A N ARG 370.A O no hydrogen 2.802 N/A GLN 322.A NE2 THR 331.A OG1 no hydrogen 2.718 N/A PHE 323.A N VAL 330.A O no hydrogen 3.004 N/A TYR 324.A N ALA 368.A O no hydrogen 2.869 N/A TYR 324.A OH ARG 326.A O no hydrogen 2.958 N/A PHE 325.A N THR 328.A O no hydrogen 3.043 N/A ARG 326.A NH1 ALA 360.A O no hydrogen 2.860 N/A ARG 326.A NH2 ALA 360.A O no hydrogen 3.316 N/A THR 327.A OG1 ILE 207.A O no hydrogen 3.365 N/A THR 328.A N PHE 325.A O no hydrogen 3.272 N/A THR 328.A OG1 ASP 329.A O no hydrogen 3.472 N/A VAL 330.A N PHE 323.A O no hydrogen 2.930 N/A GLY 332.A N PRO 321.A O no hydrogen 3.110 N/A THR 333.A N THR 354.A O no hydrogen 2.932 N/A GLU 335.A N VAL 352.A O no hydrogen 2.896 N/A VAL 340.A N PRO 337.A O no hydrogen 3.388 N/A VAL 343.A N PHE 315.A O no hydrogen 2.928 N/A GLY 346.A N ILE 303.A O no hydrogen 2.658 N/A ASP 347.A N MET 344.A O no hydrogen 2.876 N/A ASN 348.A N ASP 347.A OD1 no hydrogen 2.674 N/A ASN 348.A ND2 GLU 300.A OE2 no hydrogen 2.717 N/A ILE 349.A N VAL 301.A O no hydrogen 2.836 N/A MET 351.A N SER 299.A O no hydrogen 3.084 N/A VAL 352.A N GLU 335.A O no hydrogen 3.145 N/A VAL 353.A N PHE 297.A O no hydrogen 2.853 N/A THR 354.A N THR 333.A O no hydrogen 3.023 N/A LEU 355.A N THR 295.A O no hydrogen 2.647 N/A ILE 356.A N THR 331.A O no hydrogen 2.957 N/A ILE 359.A N HIS 294.A O no hydrogen 3.023 N/A MET 361.A N LYS 292.A O no hydrogen 3.289 N/A ASP 363.A N ASP 362.A OD1 no hydrogen 2.803 N/A GLY 364.A N VAL 381.A O no hydrogen 2.750 N/A LEU 365.A N ASP 362.A O no hydrogen 3.191 N/A ARG 366.A NE ILE 85.A O no hydrogen 2.970 N/A ARG 366.A NH1 GLY 364.A O no hydrogen 2.969 N/A ARG 366.A NH2 MET 84.A O no hydrogen 2.855 N/A PHE 367.A N GLY 379.A O no hydrogen 2.964 N/A ALA 368.A N TYR 324.A O no hydrogen 3.265 N/A ILE 369.A N GLY 377.A O no hydrogen 2.781 N/A ARG 370.A N GLN 322.A O no hydrogen 2.807 N/A GLU 371.A N ARG 374.A O no hydrogen 2.930 N/A ARG 374.A NE GLY 309.A O no hydrogen 3.279 N/A VAL 376.A N ILE 369.A O no hydrogen 2.841 N/A GLY 377.A N ILE 369.A O no hydrogen 3.262 N/A ALA 378.A N TYR 302.A O no hydrogen 2.957 N/A GLY 379.A N PHE 367.A O no hydrogen 2.738 N/A VAL 380.A N GLU 300.A O no hydrogen 3.165 N/A VAL 381.A N LEU 365.A O no hydrogen 3.064 N/A ALA 382.A N GLU 298.A O no hydrogen 2.385 N/A LYS 383.A N GLU 298.A O no hydrogen 3.023 N/A LYS 383.A NZ GLU 298.A OE1 no hydrogen 3.205 N/A VAL 384.A N ASP 363.A OD1 no hydrogen 3.073 N/A LEU 385.A N LYS 296.A O no hydrogen 2.850 N/A