Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5n61_Q.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 8.A SG THR 10.A O no hydrogen 3.926 N/A THR 10.A OG1 GLY 9.A O no hydrogen 2.733 N/A THR 10.A OG1 HIS 31.A ND1 no hydrogen 2.166 N/A ASN 12.A N THR 10.A O no hydrogen 2.788 N/A CYS 13.A N THR 10.A O no hydrogen 2.889 N/A TRP 18.A N THR 26.A O no hydrogen 3.096 N/A ARG 19.A NE ILE 20.A O no hydrogen 2.787 N/A ARG 19.A NH1 ILE 21.A O no hydrogen 2.831 N/A GLY 23.A N ILE 20.A O no hydrogen 2.926 N/A ARG 24.A NE ASP 22.A OD1 no hydrogen 2.701 N/A ARG 24.A NE ASP 22.A OD2 no hydrogen 2.814 N/A ARG 24.A NH1 ASP 22.A OD2 no hydrogen 2.311 N/A ARG 25.A N MET 33.A O no hydrogen 3.413 N/A THR 26.A N TRP 18.A O no hydrogen 2.789 N/A CYS 27.A N HIS 31.A O no hydrogen 3.049 N/A CYS 27.A SG HIS 31.A O no hydrogen 3.499 N/A GLU 39.A N GLY 37.A O no hydrogen 2.390 N/A LEU 42.A N GLU 39.A O no hydrogen 3.510 N/A PHE 44.A N ALA 40.A O no hydrogen 2.830 N/A LEU 45.A N LYS 41.A O no hydrogen 2.928 N/A LYS 46.A N LEU 43.A O no hydrogen 3.023 N/A SER 47.A N LEU 43.A O no hydrogen 2.871 N/A PHE 48.A N PHE 44.A O no hydrogen 2.931 N/A GLN 49.A N LEU 45.A O no hydrogen 2.913 N/A PHE 50.A N LYS 46.A O no hydrogen 2.963 N/A ILE 51.A N SER 47.A O no hydrogen 2.861 N/A LEU 52.A N PHE 48.A O no hydrogen 2.914 N/A LYS 53.A N GLN 49.A O no hydrogen 2.971 N/A ARG 54.A N PHE 50.A O no hydrogen 2.939 N/A GLN 55.A N ILE 51.A O no hydrogen 2.962 N/A GLN 55.A NE2 PRO 131.A O no hydrogen 2.266 N/A ILE 56.A N LEU 52.A O no hydrogen 2.968 N/A ARG 57.A N LYS 53.A O no hydrogen 2.928 N/A TRP 58.A N ARG 54.A O no hydrogen 3.115 N/A LEU 59.A N GLN 55.A O no hydrogen 2.888 N/A LEU 59.A N ILE 56.A O no hydrogen 2.809 N/A ILE 60.A N ILE 56.A O no hydrogen 2.890 N/A THR 61.A N ARG 57.A O no hydrogen 3.025 N/A THR 61.A OG1 ARG 57.A O no hydrogen 2.904 N/A GLU 62.A N TRP 58.A O no hydrogen 2.925 N/A MET 63.A N LEU 59.A O no hydrogen 2.943 N/A PHE 65.A N LEU 59.A O no hydrogen 3.293 N/A PHE 69.A N PRO 66.A O no hydrogen 3.085 N/A VAL 72.A N GLU 68.A O no hydrogen 3.052 N/A ALA 73.A N PHE 69.A O no hydrogen 2.832 N/A LYS 74.A N GLU 70.A O no hydrogen 2.822 N/A ILE 75.A N HIS 71.A O no hydrogen 2.995 N/A ILE 76.A N VAL 72.A O no hydrogen 3.097 N/A TRP 77.A N ALA 73.A O no hydrogen 2.895 N/A TRP 77.A NE1 GLN 49.A OE1 no hydrogen 2.587 N/A LEU 78.A N LYS 74.A O no hydrogen 2.842 N/A LYS 79.A N ILE 75.A O no hydrogen 2.810 N/A LYS 79.A NZ ILE 75.A O no hydrogen 3.568 N/A ILE 80.A N ILE 76.A O no hydrogen 3.048 N/A LEU 81.A N TRP 77.A O no hydrogen 2.874 N/A LYS 82.A N LEU 78.A O no hydrogen 2.889 N/A LYS 82.A NZ ASP 86.A OD2 no hydrogen 2.252 N/A THR 83.A N LYS 79.A O no hydrogen 2.969 N/A ILE 84.A N ILE 80.A O no hydrogen 2.925 N/A ASN 85.A N LEU 81.A O no hydrogen 2.895 N/A ASP 86.A N THR 83.A O no hydrogen 3.334 N/A GLN 89.A NE2 GLU 91.A OE2 no hydrogen 3.482 N/A SER 100.A N HIS 97.A O no hydrogen 2.708 N/A THR 101.A N HIS 97.A O no hydrogen 3.376 N/A THR 101.A OG1 MET 98.A O no hydrogen 2.270 N/A ILE 102.A N MET 98.A O no hydrogen 3.032 N/A SER 103.A N THR 99.A O no hydrogen 2.851 N/A SER 103.A OG THR 99.A O no hydrogen 2.159 N/A ILE 104.A N SER 100.A O no hydrogen 2.958 N/A ILE 104.A N THR 101.A O no hydrogen 3.058 N/A LEU 105.A N THR 101.A O no hydrogen 3.041 N/A TYR 106.A N ILE 102.A O no hydrogen 2.870 N/A TYR 106.A OH GLU 218.A OE2 no hydrogen 3.363 N/A LEU 107.A N SER 103.A O no hydrogen 2.856 N/A ALA 108.A N ILE 104.A O no hydrogen 2.880 N/A SER 109.A N LEU 105.A O no hydrogen 2.832 N/A SER 109.A OG TYR 106.A O no hydrogen 3.218 N/A THR 110.A N TYR 106.A O no hydrogen 2.841 N/A THR 110.A OG1 TYR 106.A O no hydrogen 2.579 N/A HIS 111.A N LEU 107.A O no hydrogen 3.094 N/A LEU 112.A N ALA 108.A O no hydrogen 3.040 N/A SER 113.A N THR 110.A O no hydrogen 3.022 N/A LEU 114.A N SER 109.A O no hydrogen 3.290 N/A TYR 117.A N ASP 120.A OD2 no hydrogen 2.952 N/A TYR 117.A OH SER 163.A O no hydrogen 2.112 N/A THR 118.A N GLU 218.A OE2 no hydrogen 3.153 N/A TYR 121.A N TYR 117.A O no hydrogen 3.428 N/A ILE 122.A N THR 118.A O no hydrogen 2.910 N/A LYS 123.A N CYS 119.A O no hydrogen 2.927 N/A TRP 124.A N ASP 120.A O no hydrogen 2.852 N/A ILE 125.A N TYR 121.A O no hydrogen 2.881 N/A CYS 126.A N ILE 122.A O no hydrogen 2.853 N/A CYS 126.A SG ILE 122.A O no hydrogen 3.208 N/A THR 127.A OG1 LYS 123.A O no hydrogen 2.107 N/A ALA 128.A N ILE 125.A O no hydrogen 3.214 N/A MET 130.A N TRP 124.A O no hydrogen 3.201 N/A TYR 142.A OH PHE 366.A O no hydrogen 2.845 N/A LYS 144.A N GLN 140.A O no hydrogen 2.873 N/A LYS 144.A NZ GLN 95.A O no hydrogen 3.516 N/A ILE 145.A N LEU 141.A O no hydrogen 2.870 N/A ALA 146.A N TYR 142.A O no hydrogen 3.032 N/A LEU 147.A N ASN 143.A O no hydrogen 2.961 N/A THR 148.A N LYS 144.A O no hydrogen 2.943 N/A THR 148.A OG1 LYS 144.A O no hydrogen 2.779 N/A CYS 149.A N ILE 145.A O no hydrogen 2.895 N/A GLY 150.A N ALA 146.A O no hydrogen 2.920 N/A GLY 150.A N LEU 147.A O no hydrogen 2.964 N/A MET 151.A N LEU 147.A O no hydrogen 2.893 N/A ILE 152.A N THR 148.A O no hydrogen 3.105 N/A PHE 158.A N PHE 154.A O no hydrogen 3.050 N/A ASN 159.A N HIS 111.A ND1 no hydrogen 3.273 N/A SER 163.A OG LEU 114.A O no hydrogen 2.581 N/A LEU 168.A N CYS 164.A O no hydrogen 3.055 N/A LEU 169.A N GLN 165.A O no hydrogen 2.931 N/A LYS 170.A N GLY 166.A O no hydrogen 2.901 N/A LEU 171.A N LEU 167.A O no hydrogen 2.980 N/A LEU 171.A N LEU 168.A O no hydrogen 2.771 N/A VAL 172.A N LEU 168.A O no hydrogen 2.875 N/A MET 173.A N LEU 169.A O no hydrogen 3.026 N/A GLN 174.A NE2 GLN 361.A OE1 no hydrogen 2.402 N/A GLN 174.A NE2 ASP 365.A OD2 no hydrogen 2.660 N/A CYS 175.A N LEU 171.A O no hydrogen 3.034 N/A CYS 175.A SG LEU 171.A O no hydrogen 3.351 N/A LEU 177.A N VAL 172.A O no hydrogen 3.224 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.307 N/A PHE 181.A N PRO 178.A O no hydrogen 2.928 N/A PHE 183.A N GLU 180.A O no hydrogen 2.723 N/A TYR 184.A N GLU 180.A O no hydrogen 2.879 N/A TYR 184.A OH TYR 241.A OH no hydrogen 3.272 N/A THR 185.A N PHE 181.A O no hydrogen 2.942 N/A THR 185.A OG1 THR 228.A OG1 no hydrogen 2.893 N/A LYS 186.A N TYR 182.A O no hydrogen 2.972 N/A GLN 187.A N PHE 183.A O no hydrogen 2.827 N/A VAL 188.A N TYR 184.A O no hydrogen 3.118 N/A ILE 189.A N THR 185.A O no hydrogen 2.797 N/A GLU 190.A N LYS 186.A O no hydrogen 2.961 N/A PHE 191.A N GLN 187.A O no hydrogen 2.790 N/A GLU 192.A N VAL 188.A O no hydrogen 3.061 N/A GLU 193.A N ILE 189.A O no hydrogen 2.994 N/A THR 194.A OG1 GLU 193.A O no hydrogen 2.136 N/A ARG 197.A NE GLU 193.A OE2 no hydrogen 3.000 N/A LEU 199.A N ASN 198.A OD1 no hydrogen 2.357 N/A THR 200.A N ASN 198.A OD1 no hydrogen 3.461 N/A THR 200.A OG1 CYS 149.A O no hydrogen 3.512 N/A ARG 212.A NE GLU 203.A OE1 no hydrogen 3.066 N/A ARG 212.A NH1 GLY 211.A O no hydrogen 3.129 N/A ARG 212.A NH2 GLU 203.A OE1 no hydrogen 2.499 N/A SER 214.A OG VAL 213.A O no hydrogen 3.033 N/A SER 214.A OG SER 214.A O no hydrogen 2.113 N/A VAL 221.A N ALA 217.A O no hydrogen 2.966 N/A LEU 222.A N GLU 218.A O no hydrogen 2.898 N/A SER 223.A N LEU 219.A O no hydrogen 2.972 N/A SER 223.A OG LEU 219.A O no hydrogen 2.691 N/A TYR 224.A N ARG 220.A O no hydrogen 2.809 N/A PHE 225.A N VAL 221.A O no hydrogen 2.796 N/A MET 226.A N LEU 222.A O no hydrogen 2.921 N/A LEU 227.A N SER 223.A O no hydrogen 2.834 N/A THR 228.A N TYR 224.A O no hydrogen 2.758 N/A THR 228.A OG1 THR 185.A OG1 no hydrogen 2.893 N/A THR 228.A OG1 TYR 224.A O no hydrogen 2.303 N/A ILE 229.A N PHE 225.A O no hydrogen 3.023 N/A ASN 230.A N MET 226.A O no hydrogen 2.955 N/A TRP 231.A N LEU 227.A O no hydrogen 2.774 N/A LEU 233.A N ILE 229.A O no hydrogen 2.935 N/A SER 234.A N ASN 230.A O no hydrogen 2.924 N/A ASP 236.A N MET 232.A O no hydrogen 3.351 N/A ASP 236.A N LEU 233.A O no hydrogen 3.209 N/A ARG 239.A NE ARG 239.A O no hydrogen 2.328 N/A TYR 241.A OH TYR 184.A OH no hydrogen 3.272 N/A SER 248.A N LYS 244.A O no hydrogen 2.859 N/A LEU 249.A N TRP 245.A O no hydrogen 2.849 N/A THR 250.A N ILE 246.A O no hydrogen 2.918 N/A THR 250.A OG1 ILE 246.A O no hydrogen 2.504 N/A GLU 251.A N LEU 247.A O no hydrogen 2.809 N/A SER 252.A N SER 248.A O no hydrogen 2.939 N/A LEU 253.A N LEU 249.A O no hydrogen 2.920 N/A THR 254.A N GLU 251.A O no hydrogen 2.807 N/A THR 254.A OG1 THR 250.A O no hydrogen 2.514 N/A GLN 255.A N GLU 251.A O no hydrogen 2.970 N/A ARG 256.A NH1 ASN 266.A OD1 no hydrogen 3.518 N/A ARG 256.A NH1 GLU 288.A OE1 no hydrogen 3.128 N/A THR 258.A OG1 GLU 287.A OE2 no hydrogen 3.104 N/A SER 260.A OG GLU 261.A OE2 no hydrogen 3.288 N/A SER 262.A N THR 259.A OG1 no hydrogen 3.417 N/A ILE 263.A N THR 259.A O no hydrogen 3.252 N/A GLY 264.A N SER 260.A O no hydrogen 2.892 N/A ARG 265.A N GLU 261.A O no hydrogen 2.886 N/A ASN 266.A N SER 262.A O no hydrogen 2.897 N/A ASN 266.A ND2 GLU 288.A OE1 no hydrogen 3.006 N/A ILE 267.A N ILE 263.A O no hydrogen 2.989 N/A VAL 268.A N GLY 264.A O no hydrogen 2.844 N/A LYS 269.A N ARG 265.A O no hydrogen 2.813 N/A LYS 269.A NZ ASP 280.A OD2 no hydrogen 2.777 N/A VAL 270.A N ASN 266.A O no hydrogen 3.078 N/A VAL 271.A N VAL 268.A O no hydrogen 2.815 N/A TYR 272.A N LYS 269.A O no hydrogen 3.396 N/A THR 277.A N ASP 274.A O no hydrogen 3.165 N/A THR 277.A OG1 ASP 274.A O no hydrogen 2.916 N/A PHE 282.A N SER 278.A O no hydrogen 3.298 N/A GLN 283.A N SER 279.A O no hydrogen 3.090 N/A GLN 283.A N ASP 280.A O no hydrogen 2.728 N/A TRP 284.A N TYR 281.A O no hydrogen 3.319 N/A SER 285.A N GLU 288.A OE2 no hydrogen 2.734 N/A SER 285.A OG GLU 288.A OE2 no hydrogen 3.458 N/A GLU 288.A N SER 285.A OG no hydrogen 3.190 N/A THR 289.A N SER 285.A O no hydrogen 2.693 N/A THR 289.A OG1 SER 285.A O no hydrogen 3.214 N/A LEU 290.A N GLU 286.A O no hydrogen 2.855 N/A GLU 291.A N GLU 287.A O no hydrogen 2.880 N/A PHE 292.A N GLU 288.A O no hydrogen 2.878 N/A LEU 293.A N THR 289.A O no hydrogen 2.873 N/A LYS 294.A N LEU 290.A O no hydrogen 2.937 N/A TRP 295.A N GLU 291.A O no hydrogen 2.971 N/A MET 296.A N PHE 292.A O no hydrogen 2.787 N/A GLU 297.A N LEU 293.A O no hydrogen 2.915 N/A LYS 298.A N LYS 294.A O no hydrogen 2.998 N/A GLN 299.A N TRP 295.A O no hydrogen 2.877 N/A PHE 300.A N MET 296.A O no hydrogen 2.882 N/A LEU 301.A N LYS 298.A O no hydrogen 3.316 N/A THR 305.A OG1 GLN 304.A O no hydrogen 2.441 N/A THR 305.A OG1 GLN 304.A OE1 no hydrogen 3.396 N/A GLN 307.A N ASP 306.A OD1 no hydrogen 2.513 N/A ALA 310.A N ASP 306.A O no hydrogen 2.951 N/A ARG 311.A N GLN 307.A O no hydrogen 2.931 N/A ARG 311.A N LYS 308.A O no hydrogen 3.135 N/A ARG 312.A N LYS 308.A O no hydrogen 2.879 N/A LYS 313.A N ILE 309.A O no hydrogen 2.864 N/A LEU 314.A N ALA 310.A O no hydrogen 2.853 N/A TYR 315.A N ARG 311.A O no hydrogen 2.883 N/A LYS 316.A N ARG 312.A O no hydrogen 3.013 N/A PHE 318.A N TYR 315.A O no hydrogen 3.212 N/A GLU 330.A N THR 327.A OG1 no hydrogen 3.304 N/A ASP 331.A N THR 327.A O no hydrogen 3.197 N/A LEU 332.A N PHE 328.A O no hydrogen 2.833 N/A GLN 333.A N ILE 329.A O no hydrogen 2.837 N/A GLU 334.A N GLU 330.A O no hydrogen 2.899 N/A ARG 335.A N ASP 331.A O no hydrogen 2.969 N/A ARG 335.A NH2 GLN 255.A O no hydrogen 3.177 N/A TYR 336.A N LEU 332.A O no hydrogen 2.958 N/A TYR 336.A OH LEU 177.A O no hydrogen 1.897 N/A ALA 337.A N GLN 333.A O no hydrogen 2.850 N/A LYS 338.A N GLU 334.A O no hydrogen 2.802 N/A GLN 339.A N ARG 335.A O no hydrogen 3.115 N/A THR 340.A N ALA 337.A O no hydrogen 2.388 N/A PHE 342.A N THR 340.A O no hydrogen 2.631 N/A ARG 347.A NH2 TYR 241.A O no hydrogen 3.424 N/A ILE 351.A N ARG 347.A O no hydrogen 2.902 N/A GLY 352.A N LYS 348.A O no hydrogen 2.929 N/A ARG 353.A N GLU 349.A O no hydrogen 2.910 N/A LEU 354.A N ALA 350.A O no hydrogen 3.034 N/A LEU 355.A N ILE 351.A O no hydrogen 2.932 N/A THR 356.A N GLY 352.A O no hydrogen 2.888 N/A THR 356.A OG1 GLY 352.A O no hydrogen 2.906 N/A THR 356.A OG1 ARG 353.A O no hydrogen 2.956 N/A HIS 357.A N ARG 353.A O no hydrogen 2.919 N/A ILE 358.A N LEU 354.A O no hydrogen 2.933 N/A ALA 359.A N LEU 355.A O no hydrogen 2.832 N/A SER 360.A N THR 356.A O no hydrogen 2.979 N/A GLN 361.A N HIS 357.A O no hydrogen 3.023 N/A LEU 362.A N ILE 358.A O no hydrogen 2.998 N/A LEU 363.A N ALA 359.A O no hydrogen 2.863 N/A VAL 364.A N SER 360.A O no hydrogen 3.135 N/A ASP 365.A N GLN 361.A O no hydrogen 2.962 N/A PHE 366.A N LEU 362.A O no hydrogen 2.806 N/A ILE 368.A N LEU 363.A O no hydrogen 3.440 N/A SER 369.A N GLN 372.A OE1 no hydrogen 2.740 N/A SER 369.A OG GLN 372.A OE1 no hydrogen 2.512 N/A LEU 373.A N SER 369.A O no hydrogen 2.982 N/A LYS 374.A N LYS 370.A O no hydrogen 3.038 N/A ASP 375.A N GLU 371.A O no hydrogen 2.942 N/A CYS 376.A N GLN 372.A O no hydrogen 2.984 N/A CYS 376.A SG SER 223.A OG no hydrogen 3.085 N/A ILE 377.A N LEU 373.A O no hydrogen 2.868 N/A SER 378.A N LYS 374.A O no hydrogen 2.883 N/A SER 378.A OG LYS 374.A O no hydrogen 2.664 N/A SER 378.A OG ASP 375.A O no hydrogen 2.358 N/A ARG 379.A N ASP 375.A O no hydrogen 2.917 N/A ILE 380.A N CYS 376.A O no hydrogen 2.933 N/A LYS 381.A N ILE 377.A O no hydrogen 2.880 N/A ASN 382.A N SER 378.A O no hydrogen 2.997 N/A ALA 383.A N ARG 379.A O no hydrogen 2.858 N/A CYS 384.A N LYS 381.A O no hydrogen 3.116 N/A CYS 384.A SG ILE 380.A O no hydrogen 3.644 N/A LEU 385.A N LYS 381.A O no hydrogen 2.915 N/A HIS 386.A N ASN 382.A O no hydrogen 2.945 N/A HIS 386.A ND1 HIS 386.A O no hydrogen 3.062 N/A MET 388.A N LEU 385.A O no hydrogen 3.174 N/A ASN 389.A N LEU 385.A O no hydrogen 2.569 N/A