Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s6c_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLN 210.A O no hydrogen 2.914 N/A ARG 3.A N HIS 31.A O no hydrogen 3.197 N/A ARG 3.A NH2 ASP 59.A O no hydrogen 3.121 N/A LYS 6.A N SER 28.A O no hydrogen 2.686 N/A GLN 8.A N TYR 26.A O no hydrogen 2.822 N/A GLN 8.A NE2 LYS 6.A O no hydrogen 3.102 N/A TYR 10.A N ASN 24.A O no hydrogen 2.881 N/A TYR 10.A OH PRO 325.A O no hydrogen 2.345 N/A SER 11.A OG HIS 13.A O no hydrogen 2.316 N/A ARG 12.A N PHE 22.A O no hydrogen 3.350 N/A ARG 12.A NH2 ASN 24.A OD1 no hydrogen 3.027 N/A HIS 13.A N ASN 21.A OD1 no hydrogen 3.258 N/A HIS 13.A ND1 GLU 276.A OE2 no hydrogen 2.931 N/A LYS 19.A N GLU 16.A OE2 no hydrogen 3.129 N/A ASN 21.A N PHE 70.A O no hydrogen 2.687 N/A PHE 22.A N ASN 21.A OD1 no hydrogen 2.710 N/A LEU 23.A N THR 68.A O no hydrogen 2.917 N/A ASN 24.A N TYR 10.A O no hydrogen 2.698 N/A ASN 24.A ND2 TYR 10.A O no hydrogen 3.326 N/A CYS 25.A N TYR 66.A O no hydrogen 2.935 N/A TYR 26.A N GLN 8.A O no hydrogen 2.804 N/A VAL 27.A N LEU 64.A O no hydrogen 2.918 N/A GLY 29.A N PHE 62.A O no hydrogen 2.754 N/A PHE 30.A N PHE 62.A O no hydrogen 3.427 N/A HIS 31.A N ARG 3.A O no hydrogen 3.252 N/A HIS 31.A NE2 GLN 191.A OE1 no hydrogen 2.471 N/A SER 33.A OG GLU 189.A OE1 no hydrogen 3.427 N/A GLU 36.A N ASN 83.A O no hydrogen 3.218 N/A ASP 38.A N ARG 81.A O no hydrogen 2.681 N/A LYS 41.A N GLU 44.A O no hydrogen 2.738 N/A ASN 42.A N GLU 77.A O no hydrogen 3.048 N/A ASN 42.A ND2 ASP 76.A OD1 no hydrogen 2.757 N/A GLU 44.A N LYS 41.A O no hydrogen 3.104 N/A VAL 49.A N GLU 47.A O no hydrogen 2.534 N/A GLU 50.A N TYR 67.A O no hydrogen 2.780 N/A SER 52.A N LEU 65.A O no hydrogen 3.114 N/A SER 52.A OG LEU 65.A O no hydrogen 3.391 N/A SER 55.A OG TYR 63.A OH no hydrogen 3.219 N/A PHE 56.A N SER 55.A OG no hydrogen 2.642 N/A SER 57.A N SER 61.A O no hydrogen 2.927 N/A SER 57.A OG SER 61.A O no hydrogen 3.516 N/A TRP 60.A N SER 57.A O no hydrogen 2.715 N/A TRP 60.A NE1 ASP 213.A OD1 no hydrogen 3.259 N/A SER 61.A N ASP 59.A OD1 no hydrogen 3.239 N/A SER 61.A OG ASP 59.A OD1 no hydrogen 3.197 N/A SER 61.A OG PHE 62.A O no hydrogen 3.286 N/A PHE 62.A N PHE 30.A O no hydrogen 2.715 N/A TYR 63.A N SER 55.A O no hydrogen 3.026 N/A TYR 63.A OH SER 55.A OG no hydrogen 3.219 N/A LEU 64.A N VAL 27.A O no hydrogen 2.498 N/A LEU 65.A N SER 52.A OG no hydrogen 3.264 N/A TYR 66.A N CYS 25.A O no hydrogen 2.927 N/A TYR 67.A N GLU 50.A O no hydrogen 2.690 N/A THR 68.A N LEU 23.A O no hydrogen 3.399 N/A THR 68.A OG1 LYS 48.A O no hydrogen 2.849 N/A THR 68.A OG1 GLU 69.A O no hydrogen 2.986 N/A THR 73.A OG1 ASP 76.A OD2 no hydrogen 2.548 N/A GLU 77.A N ASN 42.A OD1 no hydrogen 3.076 N/A CYS 80.A N VAL 93.A O no hydrogen 2.612 N/A CYS 80.A SG ASP 38.A O no hydrogen 3.878 N/A ARG 81.A N ASP 38.A O no hydrogen 2.795 N/A ARG 81.A NH2 ASP 38.A OD2 no hydrogen 3.317 N/A ASN 83.A N GLU 36.A O no hydrogen 2.953 N/A HIS 84.A NE2 HIS 31.A O no hydrogen 2.958 N/A THR 86.A N HIS 84.A ND1 no hydrogen 3.171 N/A THR 86.A OG1 HIS 84.A ND1 no hydrogen 2.959 N/A LEU 87.A N HIS 84.A O no hydrogen 2.499 N/A VAL 93.A N CYS 80.A O no hydrogen 2.901 N/A TRP 95.A N TYR 78.A O no hydrogen 3.109 N/A MET 99.A N ASP 96.A O no hydrogen 2.671 N/A ASP 100.A N ASP 98.A O no hydrogen 3.034 N/A SER 103.A OG GLN 101.A O no hydrogen 3.068 N/A PHE 104.A N CYS 196.A O no hydrogen 3.164 N/A ARG 105.A N TRP 125.A O no hydrogen 3.129 N/A MET 106.A N ALA 194.A O no hydrogen 2.863 N/A LEU 107.A N SER 123.A O no hydrogen 3.074 N/A GLN 108.A N ILE 192.A O no hydrogen 2.791 N/A GLN 108.A NE2 TYR 167.A OH no hydrogen 2.713 N/A THR 109.A N GLU 121.A O no hydrogen 3.005 N/A SER 110.A N ILE 190.A O no hydrogen 2.945 N/A SER 110.A OG GLN 108.A OE1 no hydrogen 3.326 N/A SER 110.A OG SER 120.A OG no hydrogen 2.877 N/A SER 111.A N HIS 119.A O no hydrogen 2.643 N/A HIS 115.A NE2 GLN 176.A O no hydrogen 3.231 N/A TRP 117.A N ASN 114.A OD1 no hydrogen 2.797 N/A HIS 119.A N SER 111.A O no hydrogen 3.231 N/A SER 120.A OG SER 110.A OG no hydrogen 2.877 N/A GLU 121.A N THR 109.A O no hydrogen 2.782 N/A SER 123.A N LEU 107.A O no hydrogen 2.725 N/A SER 123.A OG LEU 107.A O no hydrogen 3.349 N/A GLY 124.A N HIS 132.A O no hydrogen 3.041 N/A TRP 125.A N ARG 105.A O no hydrogen 2.706 N/A TRP 125.A NE1 SER 123.A OG no hydrogen 3.094 N/A LEU 126.A N LEU 129.A O no hydrogen 2.830 N/A GLY 127.A N SER 103.A O no hydrogen 3.307 N/A LEU 129.A N LEU 126.A O no hydrogen 2.884 N/A GLN 130.A NE2 HIS 132.A O no hydrogen 3.112 N/A THR 131.A N GLY 124.A O no hydrogen 2.656 N/A THR 131.A OG1 GLY 124.A O no hydrogen 2.328 N/A THR 131.A OG1 HIS 132.A ND1 no hydrogen 2.586 N/A HIS 132.A N GLY 124.A O no hydrogen 2.801 N/A HIS 132.A NE2 SER 148.A O no hydrogen 2.487 N/A GLY 133.A N ARG 142.A O no hydrogen 2.602 N/A ASP 135.A N THR 140.A O no hydrogen 2.470 N/A LEU 138.A N ASP 135.A OD2 no hydrogen 2.592 N/A THR 140.A N ASP 135.A O no hydrogen 3.021 N/A ARG 142.A N GLY 133.A O no hydrogen 2.580 N/A TRP 147.A NE1 GLU 268.A OE1 no hydrogen 3.194 N/A SER 148.A N LYS 145.A O no hydrogen 3.082 N/A SER 148.A OG THR 131.A O no hydrogen 2.625 N/A SER 148.A OG PHE 143.A O no hydrogen 2.705 N/A SER 148.A OG LYS 145.A O no hydrogen 2.881 N/A GLY 150.A N TRP 147.A O no hydrogen 3.110 N/A GLN 155.A NE2 ASN 159.A OD1 no hydrogen 3.112 N/A GLU 156.A N SER 153.A OG no hydrogen 2.388 N/A LEU 157.A N SER 153.A O no hydrogen 3.079 N/A LYS 158.A N LYS 154.A O no hydrogen 3.196 N/A ASN 159.A N GLN 155.A O no hydrogen 3.278 N/A ASN 159.A N GLU 156.A O no hydrogen 3.301 N/A ASN 159.A ND2 GLU 156.A O no hydrogen 3.362 N/A GLN 161.A N LEU 157.A O no hydrogen 2.915 N/A GLN 161.A NE2 LYS 158.A O no hydrogen 2.665 N/A SER 162.A OG LYS 158.A O no hydrogen 3.350 N/A SER 162.A OG ASN 159.A O no hydrogen 3.196 N/A LEU 163.A N ASN 159.A O no hydrogen 2.993 N/A PHE 164.A N LEU 160.A O no hydrogen 2.788 N/A PHE 164.A N GLN 161.A O no hydrogen 3.204 N/A GLN 165.A N GLN 161.A O no hydrogen 2.774 N/A LEU 166.A N SER 162.A O no hydrogen 2.769 N/A TYR 167.A N LEU 163.A O no hydrogen 3.460 N/A PHE 168.A N PHE 164.A O no hydrogen 2.599 N/A HIS 169.A N GLN 165.A O no hydrogen 3.063 N/A SER 170.A N LEU 166.A O no hydrogen 2.652 N/A SER 170.A OG LEU 166.A O no hydrogen 3.368 N/A PHE 171.A N TYR 167.A O no hydrogen 2.828 N/A ILE 172.A N PHE 168.A O no hydrogen 3.520 N/A ILE 174.A N SER 170.A O no hydrogen 2.825 N/A VAL 175.A N PHE 171.A O no hydrogen 2.970 N/A GLN 176.A N ILE 172.A O no hydrogen 2.965 N/A ALA 177.A N ARG 173.A O no hydrogen 3.202 N/A SER 178.A N ILE 174.A O no hydrogen 2.826 N/A SER 178.A OG ILE 174.A O no hydrogen 2.875 N/A ALA 179.A N VAL 175.A O no hydrogen 2.680 N/A PHE 182.A N SER 178.A O no hydrogen 3.256 N/A GLN 183.A N GLY 180.A O no hydrogen 2.848 N/A LEU 184.A N ALA 179.A O no hydrogen 2.943 N/A PHE 188.A N PHE 112.A O no hydrogen 3.067 N/A GLU 189.A N GLN 210.A OE1 no hydrogen 3.262 N/A ILE 190.A N SER 110.A O no hydrogen 2.865 N/A GLN 191.A N ALA 208.A O no hydrogen 3.048 N/A GLN 191.A NE2 TRP 60.A O no hydrogen 2.822 N/A ILE 192.A N GLN 108.A O no hydrogen 2.868 N/A LEU 193.A N ASN 206.A O no hydrogen 2.942 N/A ALA 194.A N MET 106.A O no hydrogen 2.835 N/A GLY 195.A N PHE 204.A O no hydrogen 2.953 N/A CYS 196.A N PHE 104.A O no hydrogen 3.316 N/A CYS 196.A SG LEU 250.A O no hydrogen 3.678 N/A ASN 206.A N LEU 193.A O no hydrogen 3.212 N/A MET 207.A N LEU 215.A O no hydrogen 2.829 N/A TYR 209.A N SER 212.A O no hydrogen 3.247 N/A GLN 210.A N GLU 189.A O no hydrogen 3.187 N/A GLN 210.A NE2 PRO 187.A O no hydrogen 3.482 N/A SER 212.A OG GLN 210.A O no hydrogen 3.419 N/A SER 216.A N GLU 220.A O no hydrogen 2.985 N/A SER 216.A OG GLU 220.A O no hydrogen 3.092 N/A PHE 217.A N LEU 205.A O no hydrogen 3.140 N/A SER 218.A OG TRP 219.A O no hydrogen 3.384 N/A SER 218.A OG ASN 237.A OD1 no hydrogen 2.450 N/A TRP 219.A N ASN 237.A OD1 no hydrogen 2.667 N/A GLU 220.A N SER 216.A O no hydrogen 2.915 N/A SER 222.A N PHE 214.A O no hydrogen 3.483 N/A SER 222.A OG ASP 213.A O no hydrogen 3.453 N/A GLY 226.A N PRO 223.A O no hydrogen 2.919 N/A ARG 228.A NE PHE 182.A O no hydrogen 3.348 N/A ARG 228.A NE GLN 183.A O no hydrogen 3.203 N/A GLN 230.A N GLY 226.A O no hydrogen 3.081 N/A ASN 231.A N ILE 227.A O no hydrogen 2.613 N/A ASN 231.A ND2 ILE 227.A O no hydrogen 2.677 N/A ILE 232.A N ARG 228.A O no hydrogen 2.737 N/A CYS 233.A N ALA 229.A O no hydrogen 2.668 N/A CYS 233.A SG ALA 229.A O no hydrogen 3.755 N/A LYS 234.A N ASN 231.A O no hydrogen 2.555 N/A LEU 236.A N ILE 232.A O no hydrogen 3.392 N/A ASN 237.A N CYS 233.A O no hydrogen 2.668 N/A ASN 237.A ND2 TRP 219.A O no hydrogen 2.803 N/A ARG 238.A N LYS 234.A O no hydrogen 3.165 N/A TYR 239.A N LEU 236.A O no hydrogen 3.087 N/A LYS 243.A N TYR 239.A O no hydrogen 3.231 N/A GLU 244.A N LEU 240.A O no hydrogen 2.741 N/A ILE 245.A N ASP 241.A O no hydrogen 2.876 N/A LEU 246.A N ILE 242.A O no hydrogen 3.133 N/A GLN 247.A N LYS 243.A O no hydrogen 2.940 N/A SER 248.A N GLU 244.A O no hydrogen 3.005 N/A LEU 249.A N ILE 245.A O no hydrogen 3.015 N/A LEU 250.A N LEU 246.A O no hydrogen 2.813 N/A HIS 252.A N SER 248.A O no hydrogen 3.328 N/A THR 253.A N SER 248.A O no hydrogen 3.392 N/A THR 253.A OG1 SER 248.A O no hydrogen 3.550 N/A CYS 254.A N LEU 249.A O no hydrogen 2.914 N/A ARG 256.A N HIS 252.A O no hydrogen 3.395 N/A PHE 257.A N THR 253.A O no hydrogen 2.755 N/A LEU 258.A N CYS 254.A O no hydrogen 2.627 N/A ALA 259.A N PRO 255.A O no hydrogen 2.894 N/A GLY 260.A N ARG 256.A O no hydrogen 3.112 N/A LEU 261.A N PHE 257.A O no hydrogen 2.886 N/A MET 262.A N LEU 258.A O no hydrogen 2.875 N/A GLU 263.A N ALA 259.A O no hydrogen 3.177 N/A ALA 264.A N GLY 260.A O no hydrogen 3.060 N/A GLY 265.A N LEU 261.A O no hydrogen 2.960 N/A GLY 265.A N MET 262.A O no hydrogen 3.337 N/A GLU 268.A N GLY 265.A O no hydrogen 3.138 N/A LYS 270.A N GLU 266.A O no hydrogen 2.603 N/A ARG 271.A NH2 GLU 329.A O no hydrogen 3.398 N/A VAL 273.A N TYR 300.A O no hydrogen 2.663 N/A TRP 278.A N HIS 295.A O no hydrogen 3.323 N/A SER 280.A N VAL 293.A O no hydrogen 3.018 N/A CYS 281.A SG SER 280.A O no hydrogen 3.428 N/A CYS 281.A SG GLU 368.A OE1 no hydrogen 3.798 N/A GLY 286.A N SER 284.A O no hydrogen 3.104 N/A CYS 294.A N ALA 335.A O no hydrogen 2.501 N/A HIS 295.A ND1 TYR 332.A OH no hydrogen 2.968 N/A HIS 295.A NE2 SER 280.A OG no hydrogen 2.316 N/A SER 297.A N GLU 276.A O no hydrogen 2.320 N/A SER 297.A OG TRP 331.A O no hydrogen 3.503 N/A GLY 298.A N TRP 331.A O no hydrogen 3.093 N/A TYR 300.A N VAL 273.A O no hydrogen 3.502 N/A TRP 305.A N LYS 352.A O no hydrogen 2.993 N/A MET 307.A N ARG 350.A O no hydrogen 2.867 N/A TRP 308.A N THR 318.A OG1 no hydrogen 2.749 N/A TRP 308.A NE1 ALA 335.A O no hydrogen 3.355 N/A MET 309.A N SER 348.A O no hydrogen 3.115 N/A ARG 310.A NH1 GLU 343.A O no hydrogen 3.486 N/A ARG 310.A NH1 ALA 345.A O no hydrogen 2.972 N/A ARG 310.A NH2 GLU 343.A O no hydrogen 2.698 N/A GLN 315.A N TRP 308.A O no hydrogen 3.070 N/A ARG 316.A NH2 GLU 314.A OE1 no hydrogen 2.648 N/A THR 318.A N GLN 315.A O no hydrogen 3.034 N/A THR 318.A OG1 GLN 315.A O no hydrogen 3.084 N/A GLN 319.A N THR 336.A O no hydrogen 2.721 N/A ARG 320.A NH1 VAL 304.A O no hydrogen 3.198 N/A ARG 320.A NH2 VAL 304.A O no hydrogen 3.045 N/A GLY 321.A N ARG 334.A O no hydrogen 3.418 N/A LEU 324.A N TYR 332.A O no hydrogen 2.922 N/A ASN 326.A N THR 330.A O no hydrogen 2.873 N/A ASN 326.A ND2 SER 297.A OG no hydrogen 3.282 N/A ASN 326.A ND2 THR 330.A OG1 no hydrogen 3.021 N/A THR 330.A OG1 ASP 328.A OD1 no hydrogen 2.802 N/A TRP 331.A N PHE 299.A O no hydrogen 2.873 N/A TYR 332.A N LEU 324.A O no hydrogen 3.101 N/A TYR 332.A OH HIS 295.A ND1 no hydrogen 2.968 N/A LEU 333.A N VAL 296.A O no hydrogen 3.246 N/A THR 336.A N GLN 319.A O no hydrogen 2.890 N/A LEU 337.A N LEU 292.A O no hydrogen 3.373 N/A ALA 344.A N ALA 341.A O no hydrogen 2.869 N/A CYS 349.A SG MET 307.A O no hydrogen 3.729 N/A ARG 350.A N MET 307.A O no hydrogen 2.645 N/A ARG 350.A NE ASP 360.A OD1 no hydrogen 2.843 N/A ARG 350.A NH2 ASP 360.A OD1 no hydrogen 3.399 N/A VAL 351.A N LEU 361.A O no hydrogen 3.058 N/A LYS 352.A N TRP 305.A O no hydrogen 2.700 N/A HIS 353.A NE2 PRO 301.A O no hydrogen 2.714 N/A SER 355.A N HIS 353.A ND1 no hydrogen 2.925 N/A SER 355.A OG VAL 273.A O no hydrogen 3.019 N/A SER 355.A OG HIS 353.A ND1 no hydrogen 2.770 N/A LEU 356.A N HIS 353.A O no hydrogen 3.200 N/A ILE 363.A N CYS 349.A O no hydrogen 3.004 N/A GLY 366.A N ASN 369.A O no hydrogen 2.723 N/A