Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3oqc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N VAL 103.A O no hydrogen 2.927 N/A LEU 4.A N GLN 77.A O no hydrogen 3.076 N/A PHE 5.A N VAL 101.A O no hydrogen 2.868 N/A ARG 6.A N VAL 79.A O no hydrogen 3.052 N/A ARG 6.A NE ASP 98.A OD1 no hydrogen 2.610 N/A ARG 6.A NE ASP 98.A OD2 no hydrogen 3.115 N/A ARG 6.A NH2 ASP 98.A OD2 no hydrogen 3.144 N/A ARG 6.A NH2 GLU 201.A OE2 no hydrogen 3.421 N/A ILE 7.A N ALA 99.A O no hydrogen 2.564 N/A ARG 8.A N ILE 81.A O no hydrogen 2.853 N/A GLY 9.A N ILE 97.A O no hydrogen 2.759 N/A PHE 11.A N LEU 95.A O no hydrogen 3.145 N/A LEU 13.A N MET 93.A O no hydrogen 2.840 N/A PHE 15.A N ILE 91.A O no hydrogen 3.131 N/A LEU 17.A N HIS 89.A O no hydrogen 2.673 N/A LYS 21.A NZ LEU 17.A O no hydrogen 2.992 N/A PHE 24.A N LYS 21.A O no hydrogen 2.946 N/A ILE 25.A N LYS 21.A O no hydrogen 3.266 N/A ALA 28.A N PHE 24.A O no hydrogen 2.552 N/A LEU 29.A N ILE 25.A O no hydrogen 2.911 N/A ARG 30.A N LYS 26.A O no hydrogen 2.924 N/A ARG 30.A NE GLU 128.A OE1 no hydrogen 2.747 N/A ARG 30.A NE GLU 128.A OE2 no hydrogen 3.349 N/A ARG 30.A NH2 GLU 128.A OE2 no hydrogen 2.999 N/A GLN 31.A N ASN 27.A O no hydrogen 2.802 N/A VAL 32.A N ALA 28.A O no hydrogen 2.942 N/A LEU 33.A N LEU 29.A O no hydrogen 3.194 N/A SER 34.A N ARG 30.A O no hydrogen 3.025 N/A ASP 35.A N GLN 31.A O no hydrogen 3.042 N/A LEU 36.A N VAL 32.A O no hydrogen 3.450 N/A THR 37.A N LEU 33.A O no hydrogen 2.984 N/A THR 37.A OG1 LEU 33.A O no hydrogen 3.056 N/A THR 38.A N SER 34.A O no hydrogen 3.036 N/A LYS 39.A N ASP 35.A O no hydrogen 3.000 N/A LYS 39.A NZ ASP 35.A OD1 no hydrogen 3.296 N/A LYS 39.A NZ ASP 35.A OD2 no hydrogen 3.124 N/A LEU 40.A N LEU 36.A O no hydrogen 2.864 N/A LEU 40.A N THR 37.A O no hydrogen 2.774 N/A SER 41.A N THR 37.A O no hydrogen 3.060 N/A SER 41.A N THR 38.A O no hydrogen 2.989 N/A SER 41.A OG THR 37.A O no hydrogen 2.581 N/A SER 41.A OG THR 38.A O no hydrogen 3.476 N/A SER 42.A OG LYS 39.A O no hydrogen 2.637 N/A ALA 44.A N SER 42.A OG no hydrogen 3.165 N/A LEU 45.A N SER 42.A O no hydrogen 3.166 N/A VAL 46.A N MET 84.A O no hydrogen 3.137 N/A ARG 48.A N ASP 82.A O no hydrogen 3.038 N/A ARG 48.A NE ASP 82.A OD1 no hydrogen 2.856 N/A ARG 48.A NH1 LEU 53.A O no hydrogen 3.349 N/A ARG 48.A NH2 ASP 82.A OD1 no hydrogen 2.768 N/A CYS 50.A N ASN 80.A O no hydrogen 2.812 N/A CYS 50.A SG ASN 80.A O no hydrogen 3.469 N/A CYS 50.A SG ASP 82.A OD1 no hydrogen 3.260 N/A SER 52.A OG VAL 49.A O no hydrogen 2.179 N/A SER 57.A N PRO 55.A O no hydrogen 3.069 N/A CYS 67.A N GLU 107.A O no hydrogen 2.975 N/A CYS 67.A SG ALA 104.A O no hydrogen 3.962 N/A LYS 68.A N PRO 105.A O no hydrogen 3.141 N/A ASN 69.A N ALA 66.A O no hydrogen 2.536 N/A ASN 69.A ND2 ALA 66.A O no hydrogen 3.189 N/A VAL 70.A N CYS 67.A O no hydrogen 3.338 N/A VAL 71.A N LYS 68.A O no hydrogen 3.271 N/A ARG 72.A N ASN 69.A O no hydrogen 3.084 N/A PHE 73.A N VAL 70.A O no hydrogen 2.705 N/A VAL 79.A N LEU 4.A O no hydrogen 2.657 N/A ILE 81.A N ARG 6.A O no hydrogen 2.840 N/A ASP 82.A N ARG 48.A O no hydrogen 2.896 N/A LEU 83.A N ARG 8.A O no hydrogen 2.936 N/A MET 84.A N VAL 46.A O no hydrogen 3.042 N/A GLU 86.A N ALA 44.A O no hydrogen 2.903 N/A SER 88.A N GLU 86.A O no hydrogen 2.953 N/A ILE 91.A N PHE 15.A O no hydrogen 2.962 N/A MET 93.A N LEU 13.A O no hydrogen 2.804 N/A SER 94.A OG ASP 12.A OD1 no hydrogen 3.492 N/A LEU 95.A N PHE 11.A O no hydrogen 3.247 N/A ILE 97.A N GLY 9.A O no hydrogen 2.643 N/A ASP 98.A N GLN 123.A OE1 no hydrogen 3.060 N/A ALA 99.A N ILE 7.A O no hydrogen 2.902 N/A VAL 101.A N PHE 5.A O no hydrogen 3.173 N/A VAL 103.A N ILE 3.A O no hydrogen 2.628 N/A GLU 107.A N ALA 104.A O no hydrogen 2.672 N/A TRP 109.A N SER 65.A O no hydrogen 3.147 N/A LYS 111.A N SER 108.A O no hydrogen 2.804 N/A LYS 111.A N SER 108.A OG no hydrogen 3.259 N/A LYS 114.A NZ ASP 118.A OD1 no hydrogen 2.987 N/A LEU 115.A N LYS 111.A O no hydrogen 3.239 N/A LEU 116.A N VAL 112.A O no hydrogen 2.562 N/A VAL 117.A N ARG 113.A O no hydrogen 2.874 N/A ASP 118.A N LYS 114.A O no hydrogen 2.822 N/A ALA 119.A N LEU 115.A O no hydrogen 3.127 N/A ILE 120.A N LEU 116.A O no hydrogen 3.394 N/A LEU 121.A N VAL 117.A O no hydrogen 2.949 N/A LEU 121.A N ASP 118.A O no hydrogen 3.159 N/A ARG 122.A N ASP 118.A O no hydrogen 3.039 N/A GLN 123.A N ALA 119.A O no hydrogen 3.168 N/A GLN 123.A NE2 ASP 98.A O no hydrogen 2.658 N/A LEU 124.A N ILE 120.A O no hydrogen 3.245 N/A VAL 125.A N LEU 121.A O no hydrogen 3.071 N/A ASP 126.A N ARG 122.A O no hydrogen 2.956 N/A VAL 127.A N GLN 123.A O no hydrogen 2.837 N/A GLU 128.A N LEU 124.A O no hydrogen 3.273 N/A LYS 129.A N VAL 125.A O no hydrogen 3.134 N/A CYS 130.A N ASP 126.A O no hydrogen 2.967 N/A ILE 131.A N VAL 127.A O no hydrogen 3.273 N/A LEU 132.A N GLU 128.A O no hydrogen 3.169 N/A ARG 133.A N LYS 129.A O no hydrogen 2.826 N/A ARG 133.A NH2 GLU 176.A OE2 no hydrogen 3.338 N/A TYR 134.A N CYS 130.A O no hydrogen 3.097 N/A TYR 134.A N ILE 131.A O no hydrogen 3.222 N/A MET 135.A N ILE 131.A O no hydrogen 2.635 N/A THR 138.A OG1 THR 138.A O no hydrogen 2.411 N/A SER 139.A N LYS 136.A O no hydrogen 3.183 N/A GLU 144.A N TYR 161.A O no hydrogen 2.669 N/A LEU 146.A N VAL 159.A O no hydrogen 2.581 N/A HIS 147.A ND1 THR 158.A OG1 no hydrogen 2.481 N/A PHE 148.A N VAL 157.A O no hydrogen 2.765 N/A VAL 157.A N PHE 148.A O no hydrogen 2.815 N/A THR 158.A OG1 HIS 147.A ND1 no hydrogen 2.481 N/A VAL 159.A N LEU 146.A O no hydrogen 2.792 N/A TYR 161.A N GLU 144.A O no hydrogen 2.973 N/A SER 163.A N VAL 142.A O no hydrogen 2.933 N/A ILE 165.A N PRO 162.A O no hydrogen 3.243 N/A GLN 169.A N PRO 166.A O no hydrogen 2.645 N/A LEU 170.A N ASP 167.A O no hydrogen 2.764 N/A ARG 174.A N LEU 170.A O no hydrogen 2.959 N/A ARG 174.A NH2 ASP 167.A O no hydrogen 2.802 N/A LYS 175.A N GLN 171.A O no hydrogen 2.764 N/A GLU 176.A N ALA 172.A O no hydrogen 3.078 N/A LEU 177.A N TYR 173.A O no hydrogen 2.851 N/A HIS 178.A N ARG 174.A O no hydrogen 2.947 N/A HIS 178.A ND1 PRO 184.A O no hydrogen 3.124 N/A ASP 179.A N LYS 175.A O no hydrogen 3.046 N/A LEU 180.A N GLU 176.A O no hydrogen 3.062 N/A PHE 181.A N LEU 177.A O no hydrogen 3.121 N/A ASN 182.A N ASP 179.A O no hydrogen 2.968 N/A LEU 183.A N HIS 178.A O no hydrogen 3.016 N/A ARG 187.A NH1 GLN 229.A OE1 no hydrogen 2.975 N/A ARG 187.A NH2 GLN 229.A OE1 no hydrogen 3.433 N/A LYS 191.A N ASN 194.A OD1 no hydrogen 2.975 N/A LYS 191.A NZ GLY 265.A O no hydrogen 2.693 N/A ARG 192.A N ASP 167.A OD1 no hydrogen 3.241 N/A ARG 192.A N ASP 167.A OD2 no hydrogen 3.317 N/A ARG 192.A NH1 ILE 165.A O no hydrogen 3.004 N/A ARG 192.A NH2 ILE 165.A O no hydrogen 2.874 N/A ASN 194.A N LYS 191.A O no hydrogen 2.783 N/A ASN 194.A ND2 HIS 263.A O no hydrogen 3.446 N/A ALA 195.A N ARG 192.A O no hydrogen 3.094 N/A TYR 196.A N HIS 147.A O no hydrogen 2.787 N/A GLU 201.A N PHE 198.A O no hydrogen 2.823 N/A GLY 206.A N TYR 203.A O no hydrogen 2.893 N/A TYR 207.A N ASP 205.A OD2 no hydrogen 3.110 N/A ARG 209.A NE HIS 263.A NE2 no hydrogen 3.041 N/A ARG 209.A NH1 ASP 205.A OD2 no hydrogen 2.853 N/A ARG 209.A NH1 TYR 207.A O no hydrogen 2.612 N/A ARG 209.A NH2 ASP 205.A OD1 no hydrogen 2.451 N/A ARG 209.A NH2 ASP 205.A OD2 no hydrogen 3.187 N/A ASN 210.A N TYR 232.A O no hydrogen 2.865 N/A ASN 210.A ND2 GLY 230.A O no hydrogen 2.700 N/A HIS 212.A ND1 TYR 232.A OH no hydrogen 2.805 N/A TYR 214.A N PRO 211.A O no hydrogen 3.226 N/A LEU 215.A N HIS 212.A O no hydrogen 3.482 N/A ASN 219.A N ASN 219.A OD1 no hydrogen 2.466 N/A MET 224.A N TRP 360.A O no hydrogen 2.514 N/A CYS 226.A N VAL 358.A O no hydrogen 3.081 N/A CYS 226.A SG GLN 338.A OE1 no hydrogen 3.324 N/A GLN 229.A N GLY 341.A O no hydrogen 2.716 N/A THR 231.A N GLN 264.A OE1 no hydrogen 2.723 N/A TYR 232.A N ASN 210.A OD1 no hydrogen 3.127 N/A TYR 232.A OH HIS 212.A ND1 no hydrogen 2.805 N/A ALA 233.A N SER 259.A OG no hydrogen 2.547 N/A TYR 234.A N ILE 208.A O no hydrogen 3.089 N/A TYR 234.A OH ASP 373.A O no hydrogen 2.763 N/A HIS 235.A N THR 256.A OG1 no hydrogen 2.910 N/A HIS 236.A NE2 GLU 380.A OE1 no hydrogen 2.686 N/A TYR 237.A N PRO 374.A O no hydrogen 2.787 N/A TYR 237.A OH SER 249.A OG no hydrogen 2.845 N/A MET 238.A N ASP 244.A OD2 no hydrogen 3.113 N/A ILE 242.A N GLN 239.A O no hydrogen 3.185 N/A ASN 245.A N ASP 243.A OD1 no hydrogen 3.379 N/A TRP 247.A N ASP 244.A O no hydrogen 3.285 N/A GLY 248.A N ASP 244.A O no hydrogen 3.160 N/A SER 249.A OG TYR 237.A OH no hydrogen 2.845 N/A SER 249.A OG HIS 375.A NE2 no hydrogen 3.220 N/A TYR 251.A OH GLN 296.A O no hydrogen 2.579 N/A ARG 252.A N GLY 248.A O no hydrogen 3.083 N/A ARG 252.A NE GLN 255.A OE1 no hydrogen 3.026 N/A ARG 252.A NH1 ASP 244.A OD1 no hydrogen 2.546 N/A ARG 252.A NH2 GLN 239.A O no hydrogen 2.842 N/A ARG 252.A NH2 ASP 240.A OD2 no hydrogen 2.897 N/A SER 253.A N SER 249.A O no hydrogen 3.277 N/A SER 253.A OG THR 354.A OG1 no hydrogen 2.934 N/A LEU 254.A N ALA 250.A O no hydrogen 3.000 N/A GLN 255.A N TYR 251.A O no hydrogen 3.030 N/A GLN 255.A NE2 PRO 272.A O no hydrogen 2.748 N/A THR 256.A N ARG 252.A O no hydrogen 3.228 N/A THR 256.A OG1 ALA 233.A O no hydrogen 2.743 N/A ILE 257.A N SER 253.A O no hydrogen 2.807 N/A CYS 258.A N LEU 254.A O no hydrogen 2.693 N/A SER 259.A N GLN 255.A O no hydrogen 2.854 N/A SER 259.A OG ALA 233.A O no hydrogen 3.272 N/A SER 259.A OG THR 256.A O no hydrogen 3.242 N/A TRP 260.A N THR 256.A O no hydrogen 2.813 N/A PHE 261.A N ILE 257.A O no hydrogen 3.068 N/A ARG 262.A N SER 259.A O no hydrogen 3.167 N/A ARG 262.A NE ARG 269.A O no hydrogen 3.171 N/A ARG 262.A NH2 GLU 268.A O no hydrogen 2.999 N/A HIS 263.A N SER 259.A O no hydrogen 2.897 N/A GLN 264.A N TRP 260.A O no hydrogen 2.968 N/A GLN 264.A NE2 THR 231.A O no hydrogen 2.790 N/A GLY 265.A N ARG 262.A O no hydrogen 3.053 N/A TYR 266.A N PHE 261.A O no hydrogen 2.681 N/A THR 267.A N PHE 261.A O no hydrogen 3.157 N/A THR 267.A OG1 GLU 268.A OE2 no hydrogen 3.482 N/A GLU 268.A N GLU 268.A OE2 no hydrogen 2.417 N/A ARG 269.A N THR 267.A OG1 no hydrogen 3.018 N/A THR 273.A N GLU 276.A OE2 no hydrogen 3.176 N/A GLU 276.A N THR 273.A OG1 no hydrogen 3.104 N/A ILE 277.A N THR 273.A O no hydrogen 3.078 N/A ILE 277.A N HIS 274.A O no hydrogen 3.002 N/A GLN 278.A N HIS 274.A O no hydrogen 2.998 N/A GLN 278.A NE2 TYR 251.A OH no hydrogen 3.319 N/A GLN 278.A NE2 SER 294.A O no hydrogen 3.027 N/A GLN 279.A N ARG 275.A O no hydrogen 2.954 N/A GLN 279.A NE2 ASP 283.A OD2 no hydrogen 3.052 N/A ALA 280.A N GLU 276.A O no hydrogen 3.103 N/A LEU 281.A N ILE 277.A O no hydrogen 2.982 N/A VAL 282.A N GLN 278.A O no hydrogen 2.925 N/A ASP 283.A N GLN 279.A O no hydrogen 2.465 N/A ALA 284.A N ALA 280.A O no hydrogen 2.704 N/A ALA 284.A N LEU 281.A O no hydrogen 3.225 N/A GLY 285.A N LEU 281.A O no hydrogen 3.098 N/A ASP 286.A N LEU 281.A O no hydrogen 2.976 N/A PHE 291.A N PRO 288.A O no hydrogen 2.938 N/A VAL 292.A N ALA 289.A O no hydrogen 3.242 N/A GLY 293.A N GLN 278.A OE1 no hydrogen 2.958 N/A SER 294.A N PHE 291.A O no hydrogen 2.898 N/A SER 294.A OG PHE 291.A O no hydrogen 2.753 N/A GLN 296.A N SER 294.A OG no hydrogen 3.265 N/A GLY 299.A N GLU 302.A OE1 no hydrogen 3.005 N/A SER 300.A OG ASN 406.A O no hydrogen 2.779 N/A GLU 302.A N GLY 299.A O no hydrogen 2.727 N/A GLU 302.A N GLU 302.A OE1 no hydrogen 2.788 N/A VAL 303.A N GLY 299.A O no hydrogen 3.026 N/A GLN 304.A N SER 300.A O no hydrogen 3.379 N/A GLN 304.A NE2 SER 315.A O no hydrogen 2.996 N/A MET 305.A N ILE 301.A O no hydrogen 3.396 N/A VAL 306.A N GLU 302.A O no hydrogen 2.792 N/A LEU 307.A N VAL 303.A O no hydrogen 2.763 N/A ASN 308.A N GLN 304.A O no hydrogen 2.860 N/A GLN 309.A N MET 305.A O no hydrogen 2.803 N/A LEU 310.A N VAL 306.A O no hydrogen 2.927 N/A VAL 313.A N LEU 307.A O no hydrogen 3.107 N/A LYS 316.A N LEU 409.A O no hydrogen 2.778 N/A LEU 318.A N LEU 407.A O no hydrogen 2.790 N/A VAL 320.A N TYR 405.A O no hydrogen 2.747 N/A SER 324.A OG GLN 322.A OE1 no hydrogen 3.311 N/A GLU 325.A N GLN 322.A O no hydrogen 2.825 N/A MET 326.A N GLY 323.A O no hydrogen 3.116 N/A GLN 329.A N MET 326.A O no hydrogen 3.050 N/A GLU 332.A N GLN 329.A O no hydrogen 2.792 N/A LEU 333.A N GLN 329.A O no hydrogen 3.409 N/A ALA 334.A N GLY 330.A O no hydrogen 2.855 N/A ASN 335.A N ARG 331.A O no hydrogen 2.968 N/A HIS 336.A N LEU 333.A O no hydrogen 2.804 N/A HIS 336.A NE2 THR 342.A O no hydrogen 2.801 N/A PHE 337.A N LEU 333.A O no hydrogen 2.665 N/A GLN 338.A N ALA 334.A O no hydrogen 2.897 N/A ASN 339.A ND2 ASN 335.A O no hydrogen 2.862 N/A GLY 341.A N HIS 336.A O no hydrogen 2.855 N/A THR 342.A OG1 HIS 336.A NE2 no hydrogen 3.138 N/A THR 342.A OG1 PRO 410.A O no hydrogen 2.625 N/A VAL 344.A N ILE 355.A O no hydrogen 3.132 N/A MET 345.A N CYS 408.A O no hydrogen 3.299 N/A VAL 346.A N HIS 353.A O no hydrogen 2.967 N/A GLY 347.A N ASN 406.A O no hydrogen 2.858 N/A GLY 348.A N LEU 351.A O no hydrogen 2.993 N/A LEU 351.A N GLY 348.A O no hydrogen 3.407 N/A HIS 353.A N VAL 346.A O no hydrogen 3.036 N/A THR 354.A N LEU 372.A O no hydrogen 2.850 N/A THR 354.A OG1 SER 253.A OG no hydrogen 2.934 N/A ILE 355.A N VAL 344.A O no hydrogen 2.770 N/A LEU 356.A N LEU 370.A O no hydrogen 2.601 N/A VAL 358.A N CYS 226.A O no hydrogen 2.822 N/A ALA 359.A N LYS 368.A O no hydrogen 2.988 N/A TRP 360.A N MET 224.A O no hydrogen 2.906 N/A ASN 361.A N GLN 366.A O no hydrogen 3.081 N/A THR 364.A OG1 GLN 366.A OE1 no hydrogen 2.878 N/A GLY 365.A N ASN 361.A O no hydrogen 2.882 N/A LYS 368.A N ALA 359.A O no hydrogen 2.651 N/A PHE 369.A N LYS 394.A O no hydrogen 2.899 N/A LEU 370.A N GLY 357.A O no hydrogen 3.084 N/A ILE 371.A N GLY 392.A O no hydrogen 2.766 N/A LEU 372.A N THR 354.A O no hydrogen 2.425 N/A HIS 375.A N ASP 373.A OD1 no hydrogen 3.001 N/A HIS 375.A ND1 ASP 373.A OD1 no hydrogen 3.040 N/A TYR 376.A N ASP 373.A O no hydrogen 3.284 N/A TYR 376.A OH ALA 379.A O no hydrogen 2.373 N/A THR 377.A OG1 HIS 375.A O no hydrogen 3.301 N/A ASP 381.A N ALA 379.A O no hydrogen 2.520 N/A MET 385.A N ASP 381.A O no hydrogen 3.203 N/A LEU 386.A N LEU 382.A O no hydrogen 3.076 N/A GLU 387.A N GLN 383.A O no hydrogen 2.933 N/A LYS 388.A N VAL 384.A O no hydrogen 2.652 N/A GLY 389.A N LEU 386.A O no hydrogen 3.177 N/A TRP 390.A N MET 385.A O no hydrogen 3.029 N/A GLY 392.A N ILE 371.A O no hydrogen 3.005 N/A LYS 394.A N PHE 369.A O no hydrogen 2.668 N/A LYS 394.A NZ GLY 389.A O no hydrogen 3.126 N/A ASP 397.A N SER 395.A OG no hydrogen 3.038 N/A PHE 398.A N SER 395.A O no hydrogen 2.895 N/A ASN 400.A N TYR 405.A OH no hydrogen 2.808 N/A ALA 403.A N LYS 401.A O no hydrogen 2.635 N/A TYR 405.A N VAL 320.A O no hydrogen 2.823 N/A TYR 405.A OH ASN 400.A O no hydrogen 3.345 N/A ASN 406.A N GLY 347.A O no hydrogen 2.837 N/A LEU 407.A N LEU 318.A O no hydrogen 2.798 N/A CYS 408.A N MET 345.A O no hydrogen 2.857 N/A LEU 409.A N LYS 316.A O no hydrogen 2.787 N/A GLN 411.A N THR 314.A O no hydrogen 2.952 N/A GLN 411.A NE2 LEU 409.A O no hydrogen 3.073 N/A ARG 412.A NE VAL 340.A O no hydrogen 2.695 N/A ARG 412.A NH1 TYR 266.A OH no hydrogen 2.733 N/A ARG 412.A NH2 VAL 340.A O no hydrogen 3.284 N/A ALA 415.A N ASP 186.A O no hydrogen 3.313 N/A