Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kl4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 3.A OE2 no hydrogen 2.584 N/A GLY 1.A N ASN 4.A OD1 no hydrogen 3.017 N/A LEU 2.A N GLU 3.A OE2 no hydrogen 3.173 N/A ILE 5.A N LEU 2.A O no hydrogen 3.364 N/A ALA 8.A N ASN 4.A O no hydrogen 3.489 N/A VAL 9.A N ILE 5.A O no hydrogen 2.961 N/A VAL 9.A N ARG 6.A O no hydrogen 2.795 N/A ARG 10.A N ARG 6.A O no hydrogen 2.556 N/A LYS 11.A N ASP 7.A O no hydrogen 2.753 N/A PHE 12.A N ALA 8.A O no hydrogen 3.478 N/A THR 14.A N LYS 11.A O no hydrogen 2.730 N/A THR 14.A OG1 ARG 10.A O no hydrogen 2.658 N/A ALA 22.A N TYR 19.A O no hydrogen 3.271 N/A VAL 23.A N TYR 19.A O no hydrogen 3.039 N/A ASP 24.A N GLU 20.A O no hydrogen 3.482 N/A PHE 26.A N ALA 22.A O no hydrogen 3.169 N/A ILE 27.A N VAL 23.A O no hydrogen 3.084 N/A LYS 28.A N ASP 24.A O no hydrogen 2.780 N/A ASP 29.A N GLU 25.A O no hydrogen 2.890 N/A LEU 30.A N PHE 26.A O no hydrogen 2.668 N/A GLN 31.A N ILE 27.A O no hydrogen 3.259 N/A LYS 32.A N LYS 28.A O no hydrogen 2.869 N/A SER 33.A N ASP 29.A O no hydrogen 2.892 N/A SER 33.A OG ASP 29.A O no hydrogen 2.621 N/A LEU 34.A N LEU 30.A O no hydrogen 2.647 N/A ILE 35.A N GLN 31.A O no hydrogen 2.979 N/A SER 36.A N LYS 32.A O no hydrogen 2.774 N/A SER 36.A OG SER 33.A O no hydrogen 2.929 N/A SER 37.A N LEU 34.A O no hydrogen 2.724 N/A ASP 38.A N ILE 35.A O no hydrogen 2.961 N/A VAL 39.A N LEU 34.A O no hydrogen 3.183 N/A LYS 42.A N ASN 40.A OD1 no hydrogen 2.460 N/A LEU 43.A N ASN 40.A OD1 no hydrogen 3.372 N/A VAL 44.A N ASN 40.A O no hydrogen 3.207 N/A PHE 45.A N VAL 41.A O no hydrogen 3.221 N/A SER 46.A N LYS 42.A O no hydrogen 3.122 N/A LEU 47.A N LEU 43.A O no hydrogen 2.716 N/A THR 48.A N VAL 44.A O no hydrogen 2.892 N/A THR 48.A OG1 PHE 45.A O no hydrogen 3.202 N/A ALA 49.A N PHE 45.A O no hydrogen 3.065 N/A LYS 50.A N SER 46.A O no hydrogen 3.092 N/A ILE 51.A N THR 48.A O no hydrogen 3.035 N/A LYS 52.A N THR 48.A O no hydrogen 2.872 N/A LYS 52.A N ALA 49.A O no hydrogen 2.899 N/A GLU 53.A N ALA 49.A O no hydrogen 3.047 N/A LEU 55.A N ILE 51.A O no hydrogen 3.138 N/A ASN 56.A N GLU 53.A O no hydrogen 3.175 N/A LYS 57.A N GLU 53.A O no hydrogen 3.087 N/A LYS 59.A NZ LYS 57.A O no hydrogen 2.785 N/A LYS 67.A NZ PHE 12.A O no hydrogen 3.341 N/A TRP 69.A N GLU 65.A O no hydrogen 3.030 N/A ILE 71.A N LYS 67.A O no hydrogen 3.016 N/A SER 72.A N GLU 68.A O no hydrogen 3.025 N/A ILE 73.A N PHE 70.A O no hydrogen 2.723 N/A VAL 74.A N PHE 70.A O no hydrogen 3.126 N/A TYR 75.A N ILE 71.A O no hydrogen 2.693 N/A ASP 76.A N SER 72.A O no hydrogen 3.111 N/A GLU 77.A N ILE 73.A O no hydrogen 2.807 N/A LEU 78.A N VAL 74.A O no hydrogen 2.797 N/A SER 79.A N TYR 75.A O no hydrogen 2.754 N/A LYS 80.A N GLU 77.A O no hydrogen 2.914 N/A LYS 80.A NZ GLU 77.A OE2 no hydrogen 2.646 N/A LEU 81.A N GLU 77.A O no hydrogen 3.118 N/A PHE 82.A N LEU 78.A O no hydrogen 3.220 N/A GLY 83.A N SER 79.A O no hydrogen 3.045 N/A ASN 91.A ND2 ASN 89.A OD1 no hydrogen 3.383 N/A LYS 94.A NZ LEU 95.A O no hydrogen 3.387 N/A PHE 97.A N ASP 180.A O no hydrogen 2.945 N/A ILE 99.A N ILE 182.A O no hydrogen 2.821 N/A MET 100.A N ASP 213.A O no hydrogen 2.794 N/A LEU 101.A N VAL 184.A O no hydrogen 2.762 N/A VAL 102.A N ILE 215.A O no hydrogen 3.307 N/A SER 107.A N VAL 104.A O no hydrogen 2.833 N/A SER 107.A OG VAL 217.A O no hydrogen 2.981 N/A THR 110.A OG1 ASP 185.A OD2 no hydrogen 3.519 N/A THR 112.A N GLY 108.A O no hydrogen 3.018 N/A THR 112.A OG1 GLY 108.A O no hydrogen 3.382 N/A ALA 113.A N LYS 109.A O no hydrogen 3.400 N/A GLY 114.A N THR 110.A O no hydrogen 3.046 N/A LYS 115.A N THR 111.A O no hydrogen 2.866 N/A LEU 116.A N THR 112.A O no hydrogen 2.554 N/A ALA 117.A N ALA 113.A O no hydrogen 3.065 N/A TYR 118.A N GLY 114.A O no hydrogen 2.992 N/A PHE 119.A N LYS 115.A O no hydrogen 3.139 N/A TYR 120.A N LEU 116.A O no hydrogen 3.151 N/A TYR 120.A OH VAL 90.A O no hydrogen 2.915 N/A LYS 121.A N ALA 117.A O no hydrogen 3.124 N/A LYS 122.A N TYR 118.A O no hydrogen 2.753 N/A ARG 123.A N TYR 120.A O no hydrogen 3.333 N/A GLY 124.A N LYS 121.A O no hydrogen 2.674 N/A TYR 125.A N TYR 120.A O no hydrogen 2.949 N/A LYS 126.A N ASP 180.A OD1 no hydrogen 3.277 N/A GLY 128.A N ILE 181.A O no hydrogen 2.924 N/A LEU 129.A N GLN 153.A O no hydrogen 3.148 N/A VAL 130.A N ILE 183.A O no hydrogen 3.039 N/A ALA 131.A N TYR 155.A O no hydrogen 2.829 N/A ALA 132.A N VAL 130.A O no hydrogen 2.965 N/A TYR 135.A OH GLU 201.A OE1 no hydrogen 2.657 N/A ASP 141.A N PRO 137.A O no hydrogen 3.320 N/A GLN 142.A N ALA 138.A O no hydrogen 3.165 N/A LEU 143.A N ALA 139.A O no hydrogen 2.745 N/A LEU 144.A N TYR 140.A O no hydrogen 3.063 N/A GLN 145.A N ASP 141.A O no hydrogen 3.042 N/A LEU 146.A N GLN 142.A O no hydrogen 3.235 N/A GLY 147.A N LEU 143.A O no hydrogen 2.737 N/A ASN 148.A N LEU 144.A O no hydrogen 2.948 N/A GLN 149.A N GLN 145.A O no hydrogen 3.144 N/A ILE 150.A N GLY 147.A O no hydrogen 3.012 N/A GLY 151.A N ASN 148.A O no hydrogen 3.294 N/A GLN 161.A NE2 ASN 159.A OD1 no hydrogen 3.414 N/A ALA 167.A N PRO 163.A O no hydrogen 2.613 N/A LYS 168.A N ILE 164.A O no hydrogen 3.240 N/A LYS 169.A N GLU 165.A O no hydrogen 2.863 N/A LYS 169.A NZ TYR 155.A OH no hydrogen 3.127 N/A LYS 169.A NZ ASN 160.A OD1 no hydrogen 3.285 N/A GLY 170.A N ILE 166.A O no hydrogen 2.652 N/A VAL 171.A N ALA 167.A O no hydrogen 2.654 N/A ASP 172.A N LYS 168.A O no hydrogen 3.206 N/A ILE 173.A N LYS 169.A O no hydrogen 3.176 N/A PHE 174.A N GLY 170.A O no hydrogen 3.105 N/A LYS 176.A N ILE 173.A O no hydrogen 2.822 N/A ASP 180.A N LYS 126.A O no hydrogen 2.798 N/A ILE 181.A N LYS 126.A O no hydrogen 3.138 N/A ILE 182.A N PHE 97.A O no hydrogen 2.914 N/A ILE 183.A N GLY 128.A O no hydrogen 2.758 N/A VAL 184.A N ILE 99.A O no hydrogen 2.519 N/A ASP 185.A N VAL 130.A O no hydrogen 3.310 N/A THR 186.A OG1 LEU 101.A O no hydrogen 3.452 N/A ALA 187.A N ALA 132.A O no hydrogen 3.128 N/A HIS 190.A ND1 GLU 194.A O no hydrogen 2.622 N/A GLU 194.A N TYR 192.A O no hydrogen 2.796 N/A LYS 197.A N GLU 194.A O no hydrogen 3.088 N/A GLU 200.A N THR 196.A O no hydrogen 3.431 N/A GLU 200.A N LYS 197.A O no hydrogen 3.151 N/A GLU 201.A N LYS 197.A O no hydrogen 3.175 N/A MET 202.A N LEU 198.A O no hydrogen 2.873 N/A LYS 203.A N LEU 199.A O no hydrogen 2.923 N/A GLU 204.A N GLU 200.A O no hydrogen 3.223 N/A MET 205.A N GLU 201.A O no hydrogen 3.311 N/A TYR 206.A N MET 202.A O no hydrogen 2.951 N/A ASP 207.A N LYS 203.A O no hydrogen 3.114 N/A VAL 208.A N GLU 204.A O no hydrogen 2.853 N/A LEU 209.A N MET 205.A O no hydrogen 2.746 N/A LYS 210.A N MET 205.A O no hydrogen 3.433 N/A ASP 213.A N ILE 98.A O no hydrogen 2.730 N/A ILE 215.A N MET 100.A O no hydrogen 2.961 N/A LEU 216.A N SER 241.A O no hydrogen 2.975 N/A ILE 218.A N ILE 243.A O no hydrogen 2.608 N/A ALA 220.A N THR 245.A O no hydrogen 2.751 N/A SER 221.A N ASP 219.A OD2 no hydrogen 3.201 N/A SER 221.A OG ASP 219.A OD1 no hydrogen 3.470 N/A SER 221.A OG ASP 219.A OD2 no hydrogen 2.768 N/A SER 221.A OG THR 250.A OG1 no hydrogen 3.267 N/A ILE 222.A N ASP 219.A O no hydrogen 3.121 N/A LYS 225.A N ILE 222.A O no hydrogen 3.029 N/A ALA 226.A N GLY 223.A O no hydrogen 3.042 N/A TYR 227.A N GLN 224.A O no hydrogen 3.007 N/A ASP 228.A N LYS 225.A O no hydrogen 2.866 N/A ALA 230.A N ALA 226.A O no hydrogen 3.083 N/A SER 231.A N TYR 227.A O no hydrogen 2.973 N/A ARG 232.A N ASP 228.A O no hydrogen 2.876 N/A PHE 233.A N LEU 229.A O no hydrogen 2.852 N/A HIS 234.A N ALA 230.A O no hydrogen 2.839 N/A GLN 235.A N SER 231.A O no hydrogen 2.927 N/A ALA 236.A N ARG 232.A O no hydrogen 2.851 N/A SER 237.A N PHE 233.A O no hydrogen 2.801 N/A SER 241.A N VAL 214.A O no hydrogen 2.919 N/A VAL 242.A N THR 266.A O no hydrogen 2.685 N/A ILE 243.A N LEU 216.A O no hydrogen 3.058 N/A ILE 244.A N PHE 269.A O no hydrogen 3.403 N/A THR 245.A N ILE 218.A O no hydrogen 2.649 N/A THR 245.A OG1 SER 107.A O no hydrogen 3.149 N/A THR 245.A OG1 ILE 218.A O no hydrogen 2.863 N/A LYS 246.A NZ ASP 219.A OD1 no hydrogen 2.570 N/A MET 247.A N GLY 271.A O no hydrogen 3.166 N/A GLY 249.A N LYS 246.A O no hydrogen 2.947 N/A THR 250.A OG1 SER 221.A OG no hydrogen 3.267 N/A GLY 255.A N SER 37.A O no hydrogen 3.327 N/A ALA 256.A N GLY 253.A O no hydrogen 2.630 N/A LEU 257.A N GLY 253.A O no hydrogen 3.235 N/A SER 258.A N GLY 254.A O no hydrogen 2.950 N/A SER 258.A OG GLY 254.A O no hydrogen 2.496 N/A SER 258.A OG GLY 255.A O no hydrogen 3.011 N/A VAL 260.A N ALA 256.A O no hydrogen 2.602 N/A VAL 261.A N LEU 257.A O no hydrogen 2.895 N/A ALA 262.A N SER 258.A O no hydrogen 2.951 N/A THR 263.A OG1 VAL 260.A O no hydrogen 2.811 N/A ALA 265.A N THR 263.A OG1 no hydrogen 3.067 N/A LYS 268.A N VAL 242.A O no hydrogen 3.175 N/A LYS 268.A NZ ASP 213.A OD2 no hydrogen 3.342 N/A ILE 270.A N GLU 280.A O no hydrogen 3.198 N/A GLY 271.A N ILE 244.A O no hydrogen 2.753 N/A THR 272.A N GLU 278.A O no hydrogen 3.095 N/A THR 272.A OG1 GLU 280.A OE2 no hydrogen 2.690 N/A LEU 279.A N ASP 277.A O no hydrogen 2.828 N/A GLU 280.A N ILE 270.A O no hydrogen 3.272 N/A PHE 282.A N LYS 268.A O no hydrogen 2.848 N/A PHE 287.A N ASN 283.A O no hydrogen 2.932 N/A PHE 287.A N ALA 284.A O no hydrogen 3.010 N/A VAL 288.A N ALA 284.A O no hydrogen 3.092 N/A SER 289.A N LYS 285.A O no hydrogen 2.976 N/A SER 289.A OG LYS 285.A O no hydrogen 3.229 N/A ARG 290.A N ARG 286.A O no hydrogen 2.668 N/A ILE 291.A N PHE 287.A O no hydrogen 3.020 N/A ILE 291.A N VAL 288.A O no hydrogen 3.097 N/A LEU 292.A N VAL 288.A O no hydrogen 2.676 N/A SER 299.A N GLY 295.A O no hydrogen 3.102 N/A SER 299.A OG ASP 296.A O no hydrogen 2.827 N/A ILE 300.A N ASP 296.A O no hydrogen 3.396 N/A LEU 301.A N ILE 297.A O no hydrogen 2.910 N/A LEU 301.A N GLU 298.A O no hydrogen 2.544 N/A GLU 302.A N GLU 298.A O no hydrogen 3.076 N/A LYS 303.A N SER 299.A O no hydrogen 3.207 N/A LYS 303.A NZ GLU 68.A OE1 no hydrogen 3.223 N/A VAL 304.A N ILE 300.A O no hydrogen 3.262 N/A LYS 305.A N LEU 301.A O no hydrogen 2.959 N/A GLY 306.A N GLU 302.A O no hydrogen 3.248 N/A VAL 313.A N THR 309.A O no hydrogen 3.049 N/A TYR 314.A OH ASN 363.A OD1 no hydrogen 3.044 N/A GLN 316.A N ASP 312.A O no hydrogen 2.646 N/A ILE 317.A N VAL 313.A O no hydrogen 2.817 N/A ILE 318.A N TYR 314.A O no hydrogen 2.654 N/A ALA 319.A N ALA 315.A O no hydrogen 3.222 N/A LEU 320.A N GLN 316.A O no hydrogen 3.390 N/A ARG 321.A N ILE 317.A O no hydrogen 3.105 N/A LYS 322.A N ILE 318.A O no hydrogen 3.250 N/A MET 323.A N ALA 319.A O no hydrogen 3.361 N/A GLN 331.A N LYS 328.A O no hydrogen 2.947 N/A HIS 332.A N VAL 329.A O no hydrogen 3.340 N/A GLY 335.A N ILE 333.A O no hydrogen 2.529 N/A THR 342.A OG1 MET 339.A O no hydrogen 3.098 N/A SER 344.A OG PRO 341.A O no hydrogen 2.939 N/A GLU 345.A N THR 342.A O no hydrogen 2.976 N/A ASP 346.A N PRO 343.A O no hydrogen 2.573 N/A GLN 347.A N PRO 343.A O no hydrogen 3.375 N/A GLN 347.A NE2 PRO 343.A O no hydrogen 2.884 N/A LEU 348.A N SER 344.A O no hydrogen 3.111 N/A LYS 349.A N GLU 345.A O no hydrogen 3.138 N/A LYS 349.A NZ GLU 345.A OE1 no hydrogen 2.577 N/A ILE 350.A N ASP 346.A O no hydrogen 3.156 N/A GLY 351.A N LEU 348.A O no hydrogen 2.739 N/A ALA 361.A N ARG 357.A O no hydrogen 3.103 N/A LEU 362.A N TRP 358.A O no hydrogen 3.090 N/A ASN 363.A N LEU 359.A O no hydrogen 3.188 N/A SER 364.A N ALA 360.A O no hydrogen 3.107 N/A SER 364.A OG ILE 384.A O no hydrogen 3.516 N/A THR 366.A N GLU 369.A OE1 no hydrogen 3.105 N/A GLU 371.A N LYS 368.A O no hydrogen 2.624 N/A ASN 372.A N LYS 368.A O no hydrogen 3.281 N/A ILE 376.A N PRO 373.A O no hydrogen 2.730 N/A MET 381.A N ASP 377.A O no hydrogen 2.719 N/A ARG 382.A N LYS 378.A O no hydrogen 3.097 N/A ARG 383.A N SER 379.A O no hydrogen 3.090 N/A ILE 384.A N ARG 380.A O no hydrogen 3.042 N/A ALA 385.A N MET 381.A O no hydrogen 3.232 N/A GLU 386.A N ARG 382.A O no hydrogen 2.773 N/A GLY 387.A N ARG 383.A O no hydrogen 2.868 N/A SER 388.A N ILE 384.A O no hydrogen 3.285 N/A SER 388.A N ALA 385.A O no hydrogen 3.060 N/A SER 388.A OG ILE 384.A O no hydrogen 2.663 N/A SER 388.A OG ALA 385.A O no hydrogen 2.933 N/A GLY 389.A N ALA 385.A O no hydrogen 2.976 N/A GLU 391.A N GLU 394.A OE2 no hydrogen 3.235 N/A VAL 395.A N GLU 391.A O no hydrogen 3.121 N/A ARG 396.A N VAL 392.A O no hydrogen 2.998 N/A GLU 397.A N GLU 393.A O no hydrogen 3.169 N/A LEU 398.A N GLU 394.A O no hydrogen 3.344 N/A LEU 399.A N VAL 395.A O no hydrogen 2.975 N/A GLU 400.A N ARG 396.A O no hydrogen 2.928 N/A TRP 401.A N GLU 397.A O no hydrogen 3.070 N/A TYR 402.A N LEU 398.A O no hydrogen 3.215 N/A ASN 403.A N LEU 399.A O no hydrogen 3.378 N/A ASN 404.A N GLU 400.A O no hydrogen 3.023 N/A MET 405.A N TRP 401.A O no hydrogen 3.261 N/A MET 405.A N TYR 402.A O no hydrogen 3.248 N/A ASN 406.A N TYR 402.A O no hydrogen 2.871 N/A ARG 407.A N ASN 403.A O no hydrogen 2.539 N/A LEU 408.A N ASN 404.A O no hydrogen 2.962 N/A LEU 409.A N MET 405.A O no hydrogen 3.077 N/A MET 411.A N ARG 407.A O no hydrogen 3.005 N/A VAL 412.A N LEU 409.A O no hydrogen 3.239 N/A