Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ikl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N GLU 2.A OE2 no hydrogen 3.333 N/A GLU 6.A N ALA 3.A O no hydrogen 2.422 N/A ILE 7.A N ALA 3.A O no hydrogen 3.406 N/A CYS 8.A N LEU 4.A O no hydrogen 3.209 N/A CYS 8.A SG LEU 4.A O no hydrogen 2.924 N/A GLN 9.A N GLU 6.A O no hydrogen 2.409 N/A ARG 10.A N GLU 6.A O no hydrogen 3.075 N/A ARG 10.A NH2 GLU 6.A OE2 no hydrogen 3.307 N/A ARG 11.A N ILE 7.A O no hydrogen 3.296 N/A ARG 11.A NE GLU 313.A OE2 no hydrogen 2.804 N/A ARG 11.A NH1 ARG 10.A O no hydrogen 2.849 N/A ARG 11.A NH2 GLU 313.A OE2 no hydrogen 2.835 N/A HIS 12.A N GLN 9.A O no hydrogen 2.795 N/A PHE 13.A N CYS 8.A O no hydrogen 2.631 N/A LEU 14.A N CYS 8.A O no hydrogen 2.599 N/A SER 15.A N GLY 33.A O no hydrogen 3.273 N/A SER 17.A N GLN 20.A OE1 no hydrogen 2.642 N/A SER 17.A OG GLN 20.A OE1 no hydrogen 2.928 N/A SER 22.A OG GLN 19.A O no hydrogen 2.549 N/A ARG 23.A NH2 ASP 24.A OD1 no hydrogen 3.288 N/A SER 25.A OG GLN 20.A O no hydrogen 3.332 N/A SER 25.A OG CYS 30.A O no hydrogen 2.859 N/A LEU 26.A N SER 22.A O no hydrogen 3.143 N/A LEU 27.A N ARG 23.A O no hydrogen 2.763 N/A SER 28.A N ASP 24.A O no hydrogen 2.776 N/A SER 28.A OG ASP 24.A O no hydrogen 2.906 N/A GLY 29.A N LEU 26.A O no hydrogen 2.906 N/A CYS 30.A N SER 25.A O no hydrogen 2.741 N/A CYS 30.A SG SER 28.A O no hydrogen 3.294 N/A CYS 30.A SG SER 28.A OG no hydrogen 3.149 N/A CYS 30.A SG ILE 123.A O no hydrogen 3.866 N/A GLY 35.A N PHE 13.A O no hydrogen 2.997 N/A VAL 39.A N GLY 35.A O no hydrogen 3.198 N/A GLU 40.A N PRO 36.A O no hydrogen 3.088 N/A LEU 41.A N LEU 37.A O no hydrogen 2.723 N/A ARG 42.A N GLY 38.A O no hydrogen 2.680 N/A LYS 43.A N VAL 39.A O no hydrogen 2.667 N/A ASN 44.A N GLU 40.A O no hydrogen 2.549 N/A ASN 44.A ND2 GLU 40.A O no hydrogen 3.475 N/A LEU 45.A N LEU 41.A O no hydrogen 2.753 N/A ALA 46.A N ARG 42.A O no hydrogen 2.760 N/A ALA 47.A N LYS 43.A O no hydrogen 3.159 N/A GLU 48.A N ASN 44.A O no hydrogen 3.301 N/A TRP 49.A N ALA 46.A O no hydrogen 2.534 N/A TRP 50.A N ALA 46.A O no hydrogen 2.928 N/A THR 51.A N ALA 47.A O no hydrogen 2.721 N/A THR 51.A OG1 ALA 47.A O no hydrogen 2.334 N/A VAL 54.A N TRP 50.A O no hydrogen 2.904 N/A VAL 55.A N TRP 50.A O no hydrogen 2.962 N/A PHE 61.A N GLY 109.A O no hydrogen 2.967 N/A VAL 63.A N ALA 111.A O no hydrogen 2.582 N/A LYS 69.A N GLY 82.A O no hydrogen 2.922 N/A ALA 79.A N ASP 77.A O no hydrogen 2.716 N/A GLY 82.A N PHE 80.A O no hydrogen 2.597 N/A ARG 84.A N HIS 67.A O no hydrogen 2.316 N/A ARG 84.A NE LEU 66.A O no hydrogen 3.190 N/A ARG 84.A NH1 VAL 115.A O no hydrogen 2.702 N/A ARG 84.A NH2 ALA 65.A O no hydrogen 2.755 N/A ARG 84.A NH2 LEU 66.A O no hydrogen 3.199 N/A ALA 91.A N LEU 87.A O no hydrogen 3.377 N/A LEU 92.A N LEU 88.A O no hydrogen 2.946 N/A GLU 93.A N HIS 89.A O no hydrogen 3.311 N/A HIS 94.A N ALA 91.A O no hydrogen 2.798 N/A TYR 95.A N ALA 91.A O no hydrogen 3.459 N/A ASN 97.A N HIS 94.A O no hydrogen 2.792 N/A CYS 98.A N HIS 94.A O no hydrogen 3.422 N/A CYS 98.A SG HIS 94.A O no hydrogen 3.630 N/A ASP 100.A N ASN 97.A O no hydrogen 2.695 N/A ASN 103.A N ASP 100.A O no hydrogen 2.797 N/A LYS 104.A NZ LEU 214.A O no hydrogen 3.011 N/A ARG 105.A N VAL 102.A O no hydrogen 2.704 N/A TYR 108.A N PHE 134.A O no hydrogen 3.365 N/A LEU 110.A N VAL 132.A O no hydrogen 3.289 N/A ALA 111.A N PHE 61.A O no hydrogen 2.655 N/A GLN 112.A N SER 130.A O no hydrogen 3.110 N/A GLY 114.A N GLU 128.A O no hydrogen 3.097 N/A CYS 116.A N LYS 126.A O no hydrogen 2.667 N/A CYS 116.A SG GLU 128.A OE2 no hydrogen 3.693 N/A PHE 117.A N ARG 84.A O no hydrogen 3.146 N/A HIS 118.A N GLY 124.A O no hydrogen 3.227 N/A VAL 120.A N SER 122.A O no hydrogen 2.653 N/A GLU 125.A N GLY 29.A O no hydrogen 2.811 N/A LYS 126.A N CYS 116.A O no hydrogen 3.049 N/A LYS 126.A NZ LEU 27.A O no hydrogen 2.589 N/A LYS 126.A NZ ASP 233.A OD2 no hydrogen 3.277 N/A THR 127.A N ASP 235.A OD2 no hydrogen 2.381 N/A THR 127.A OG1 ASP 235.A OD1 no hydrogen 3.188 N/A THR 127.A OG1 ASP 235.A OD2 no hydrogen 3.271 N/A GLU 128.A N GLY 114.A O no hydrogen 2.871 N/A ALA 129.A N GLY 232.A O no hydrogen 2.708 N/A SER 130.A N GLN 112.A O no hydrogen 3.243 N/A LEU 131.A N VAL 230.A O no hydrogen 3.076 N/A VAL 132.A N LEU 110.A O no hydrogen 2.825 N/A TRP 133.A N LEU 228.A O no hydrogen 2.765 N/A PHE 134.A N TYR 108.A O no hydrogen 2.910 N/A THR 135.A N CYS 226.A O no hydrogen 2.940 N/A THR 135.A OG1 PRO 136.A O no hydrogen 3.346 N/A THR 139.A N PRO 136.A O no hydrogen 2.597 N/A THR 139.A OG1 PRO 136.A O no hydrogen 3.418 N/A SER 140.A N PRO 137.A O no hydrogen 2.940 N/A TRP 143.A N THR 139.A O no hydrogen 3.051 N/A LEU 144.A N SER 140.A O no hydrogen 3.446 N/A ASP 145.A N ASN 141.A O no hydrogen 2.981 N/A PHE 146.A N GLN 142.A O no hydrogen 2.848 N/A TRP 147.A N TRP 143.A O no hydrogen 2.789 N/A HIS 150.A N PHE 146.A O no hydrogen 3.103 N/A ARG 151.A N TRP 147.A O no hydrogen 2.588 N/A ARG 151.A NE GLU 193.A OE1 no hydrogen 2.805 N/A ARG 151.A NH2 GLU 193.A OE1 no hydrogen 2.780 N/A ARG 151.A NH2 GLU 193.A OE2 no hydrogen 2.377 N/A LEU 152.A N LEU 148.A O no hydrogen 2.872 N/A GLN 153.A N ARG 149.A O no hydrogen 3.304 N/A TRP 154.A N HIS 150.A O no hydrogen 3.211 N/A TRP 154.A N ARG 151.A O no hydrogen 3.199 N/A TRP 155.A N ARG 151.A O no hydrogen 3.488 N/A ARG 156.A N LEU 152.A O no hydrogen 3.264 N/A ARG 156.A NE PHE 165.A O no hydrogen 3.413 N/A ARG 156.A NH2 PHE 165.A O no hydrogen 3.477 N/A LYS 157.A N TRP 154.A O no hydrogen 2.742 N/A PHE 158.A N TRP 155.A O no hydrogen 3.032 N/A ALA 159.A N ARG 156.A O no hydrogen 3.187 N/A MET 160.A N ASP 244.A OD2 no hydrogen 2.581 N/A SER 161.A OG ASP 244.A OD1 no hydrogen 2.625 N/A PHE 165.A N PRO 162.A O no hydrogen 2.783 N/A SER 166.A N TYR 182.A O no hydrogen 3.050 N/A SER 168.A OG ASP 169.A O no hydrogen 3.554 N/A CYS 170.A N GLY 178.A O no hydrogen 2.824 N/A CYS 170.A SG SER 168.A OG no hydrogen 3.751 N/A CYS 170.A SG GLY 178.A O no hydrogen 3.428 N/A GLU 173.A N GLY 175.A O no hydrogen 3.264 N/A ASN 179.A N LEU 195.A O no hydrogen 2.806 N/A LYS 180.A N SER 168.A O no hydrogen 3.106 N/A LEU 181.A N GLU 193.A O no hydrogen 3.325 N/A TYR 182.A N SER 166.A O no hydrogen 2.947 N/A TYR 183.A N GLU 190.A O no hydrogen 3.233 N/A ASN 184.A N ASN 164.A O no hydrogen 2.860 N/A PHE 185.A N GLY 188.A O no hydrogen 3.038 N/A GLU 190.A N TYR 183.A O no hydrogen 3.201 N/A ILE 192.A N LEU 181.A O no hydrogen 3.122 N/A THR 194.A N ASN 231.A O no hydrogen 2.846 N/A THR 194.A OG1 ASN 231.A O no hydrogen 3.285 N/A LEU 195.A N ASN 179.A O no hydrogen 2.936 N/A TRP 196.A N SER 229.A O no hydrogen 3.056 N/A ASN 197.A ND2 SER 140.A O no hydrogen 3.517 N/A ASN 197.A ND2 SER 140.A OG no hydrogen 3.243 N/A ASP 200.A N ASP 200.A OD2 no hydrogen 2.263 N/A LEU 204.A N ASP 200.A O no hydrogen 3.356 N/A LEU 204.A N HIS 201.A O no hydrogen 2.412 N/A MET 206.A N GLU 202.A O no hydrogen 2.720 N/A TYR 207.A N LEU 203.A O no hydrogen 2.877 N/A LYS 213.A N ASN 210.A OD1 no hydrogen 2.808 N/A ASP 218.A N LYS 221.A O no hydrogen 2.898 N/A CYS 226.A N THR 135.A O no hydrogen 2.714 N/A VAL 227.A N GLY 199.A O no hydrogen 3.248 N/A LEU 228.A N TRP 133.A O no hydrogen 2.738 N/A SER 229.A N TRP 196.A O no hydrogen 3.044 N/A VAL 230.A N LEU 131.A O no hydrogen 3.238 N/A ASN 231.A N THR 194.A O no hydrogen 2.979 N/A GLY 232.A N ALA 129.A O no hydrogen 2.858 N/A ASP 233.A N ILE 192.A O no hydrogen 2.897 N/A LEU 234.A N THR 127.A O no hydrogen 2.714 N/A ARG 236.A N ASP 233.A OD2 no hydrogen 3.079 N/A ARG 236.A NH2 LEU 27.A O no hydrogen 2.786 N/A MET 238.A N LEU 234.A O no hydrogen 2.686 N/A LEU 239.A N ASP 235.A O no hydrogen 2.733 N/A ALA 240.A N ARG 236.A O no hydrogen 2.924 N/A TYR 241.A N GLY 237.A O no hydrogen 2.655 N/A TYR 241.A OH TRP 155.A O no hydrogen 3.093 N/A LEU 242.A N LEU 239.A O no hydrogen 3.325 N/A ASP 244.A N ALA 240.A O no hydrogen 3.359 N/A SER 245.A N LEU 242.A O no hydrogen 2.767 N/A SER 245.A OG LEU 242.A O no hydrogen 2.870 N/A GLN 247.A NE2 PHE 246.A O no hydrogen 3.197 N/A ARG 248.A NH2 ARG 337.A O no hydrogen 2.397 N/A LEU 251.A N ASP 312.A O no hydrogen 2.704 N/A LEU 257.A N HIS 254.A O no hydrogen 2.641 N/A ALA 258.A N HIS 254.A O no hydrogen 3.158 N/A LYS 261.A N SER 291.A OG no hydrogen 2.457 N/A LYS 261.A NZ PRO 255.A O no hydrogen 2.846 N/A VAL 262.A N SER 291.A O no hydrogen 3.200 N/A LEU 264.A N TRP 293.A O no hydrogen 3.372 N/A ASP 265.A N VAL 320.A O no hydrogen 3.245 N/A GLY 267.A N VAL 322.A O no hydrogen 2.764 N/A THR 271.A OG1 PRO 270.A O no hydrogen 2.723 N/A ARG 275.A N THR 271.A O no hydrogen 2.787 N/A VAL 277.A N GLU 273.A O no hydrogen 2.863 N/A CYS 278.A N LEU 274.A O no hydrogen 2.855 N/A GLY 280.A N GLN 276.A O no hydrogen 3.319 N/A LEU 281.A N VAL 277.A O no hydrogen 2.939 N/A PHE 282.A N CYS 278.A O no hydrogen 2.811 N/A ASN 283.A N GLN 279.A O no hydrogen 2.972 N/A GLU 284.A N GLY 280.A O no hydrogen 2.735 N/A LEU 285.A N LEU 281.A O no hydrogen 2.799 N/A LEU 286.A N PHE 282.A O no hydrogen 3.286 N/A GLU 287.A N ASN 283.A O no hydrogen 2.939 N/A ASN 288.A N GLU 284.A O no hydrogen 3.166 N/A ASN 288.A ND2 GLU 284.A O no hydrogen 2.648 N/A GLY 289.A N LEU 286.A O no hydrogen 2.555 N/A TRP 293.A N VAL 262.A O no hydrogen 3.086 N/A GLY 295.A N TRP 293.A O no hydrogen 2.733 N/A LEU 297.A N PRO 294.A O no hydrogen 2.969 N/A GLU 298.A N GLY 295.A O no hydrogen 2.747 N/A MET 300.A N THR 299.A OG1 no hydrogen 2.287 N/A SER 303.A OG SER 302.A O no hydrogen 2.341 N/A GLN 306.A N SER 303.A OG no hydrogen 2.643 N/A TYR 308.A N LEU 304.A O no hydrogen 2.620 N/A SER 309.A N GLU 305.A O no hydrogen 2.807 N/A LYS 310.A N LEU 307.A O no hydrogen 3.351 N/A TYR 311.A N LEU 307.A O no hydrogen 3.182 N/A ASP 312.A N TYR 308.A O no hydrogen 2.963 N/A MET 314.A N TYR 311.A O no hydrogen 3.155 N/A SER 315.A N ASP 312.A O no hydrogen 3.107 N/A SER 315.A OG LEU 251.A O no hydrogen 2.876 N/A PHE 318.A N LYS 261.A O no hydrogen 3.516 N/A THR 319.A N ARG 335.A O no hydrogen 3.119 N/A VAL 320.A N ALA 263.A O no hydrogen 3.008 N/A LEU 321.A N HIS 333.A O no hydrogen 2.969 N/A THR 323.A N THR 326.A OG1 no hydrogen 3.210 N/A THR 325.A N THR 323.A OG1 no hydrogen 3.169 N/A THR 326.A N THR 323.A O no hydrogen 2.615 N/A THR 326.A OG1 THR 323.A O no hydrogen 2.341 N/A THR 326.A OG1 LEU 331.A O no hydrogen 3.287 N/A ASN 329.A N THR 326.A O no hydrogen 2.845 N/A ILE 332.A N MET 345.A O no hydrogen 3.226 N/A HIS 333.A N LEU 321.A O no hydrogen 3.376 N/A HIS 333.A ND1 LEU 321.A O no hydrogen 3.211 N/A ARG 335.A N THR 319.A O no hydrogen 2.729 N/A SER 336.A N MET 341.A O no hydrogen 2.931 N/A ARG 337.A N LEU 317.A O no hydrogen 2.733 N/A ARG 337.A NE ASP 338.A OD1 no hydrogen 3.226 N/A ARG 337.A NH1 LEU 253.A O no hydrogen 2.648 N/A ARG 337.A NH2 LEU 253.A O no hydrogen 3.010 N/A ARG 337.A NH2 ASP 338.A OD1 no hydrogen 3.334 N/A ASP 338.A N SER 336.A OG no hydrogen 3.292 N/A MET 341.A N THR 339.A OG1 no hydrogen 3.042 N/A MET 345.A N ILE 332.A O no hydrogen 2.904 N/A ILE 347.A N GLY 330.A O no hydrogen 2.725 N/A LYS 349.A N HIS 346.A O no hydrogen 2.808 N/A LYS 351.A NZ ASP 352.A OD1 no hydrogen 2.519 N/A PHE 353.A N LYS 349.A O no hydrogen 2.929 N/A PHE 353.A N LEU 350.A O no hydrogen 2.730 N/A LEU 354.A N LEU 350.A O no hydrogen 3.149 N/A ILE 355.A N LYS 351.A O no hydrogen 3.227 N/A LYS 356.A N ASP 352.A O no hydrogen 3.298 N/A LYS 356.A N PHE 353.A O no hydrogen 2.891 N/A TYR 357.A N PHE 353.A O no hydrogen 2.865 N/A ILE 358.A N LEU 354.A O no hydrogen 2.981 N/A SER 359.A N ILE 355.A O no hydrogen 2.890 N/A SER 360.A N LYS 356.A O no hydrogen 2.562 N/A ALA 361.A N TYR 357.A O no hydrogen 3.063 N/A LYS 362.A N ILE 358.A O no hydrogen 2.742 N/A ASN 363.A N SER 360.A O no hydrogen 2.559 N/A