Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sqi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N MET 1.A O no hydrogen 2.996 N/A LEU 7.A N LEU 4.A O no hydrogen 2.966 N/A LEU 8.A N ASP 5.A O no hydrogen 3.309 N/A LYS 9.A N SER 6.A O no hydrogen 3.176 N/A LEU 11.A N LEU 8.A O no hydrogen 3.471 N/A THR 15.A OG1 PRO 12.A O no hydrogen 3.460 N/A ALA 16.A N PRO 12.A O no hydrogen 2.968 N/A ALA 16.A N THR 13.A O no hydrogen 3.133 N/A HIS 17.A N THR 13.A O no hydrogen 2.911 N/A LEU 18.A N ARG 14.A O no hydrogen 2.924 N/A ARG 20.A N ALA 16.A O no hydrogen 2.937 N/A SER 21.A N HIS 17.A O no hydrogen 2.947 N/A SER 21.A OG HIS 17.A O no hydrogen 3.297 N/A SER 21.A OG LEU 18.A O no hydrogen 2.488 N/A ILE 22.A N LEU 18.A O no hydrogen 2.940 N/A TRP 23.A N TYR 19.A O no hydrogen 2.891 N/A HIS 24.A N ARG 20.A O no hydrogen 2.984 N/A LYS 25.A N SER 21.A O no hydrogen 2.928 N/A TYR 26.A N ILE 22.A O no hydrogen 2.948 N/A TYR 26.A OH PHE 40.A O no hydrogen 2.818 N/A THR 27.A N TRP 23.A O no hydrogen 2.936 N/A THR 27.A OG1 TRP 23.A O no hydrogen 3.267 N/A THR 27.A OG1 HIS 24.A O no hydrogen 3.489 N/A THR 27.A OG1 GLU 28.A OE2 no hydrogen 3.075 N/A GLU 28.A N HIS 24.A O no hydrogen 2.906 N/A TRP 29.A N LYS 25.A O no hydrogen 2.907 N/A LEU 30.A N TYR 26.A O no hydrogen 2.886 N/A LYS 31.A N THR 27.A O no hydrogen 2.962 N/A THR 32.A N TRP 29.A O no hydrogen 2.607 N/A MET 33.A N LEU 30.A O no hydrogen 3.260 N/A PHE 40.A N LEU 37.A O no hydrogen 3.393 N/A LEU 41.A N LYS 38.A O no hydrogen 2.808 N/A LYS 44.A NZ TYR 45.A OH no hydrogen 3.413 N/A TYR 45.A N SER 42.A O no hydrogen 3.096 N/A ILE 46.A N SER 42.A O no hydrogen 3.205 N/A VAL 47.A N GLN 43.A O no hydrogen 2.888 N/A LYS 48.A N LYS 44.A O no hydrogen 2.972 N/A LYS 48.A NZ GLU 283.A OE1 no hydrogen 3.326 N/A TYR 49.A N TYR 45.A O no hydrogen 2.900 N/A ILE 50.A N ILE 46.A O no hydrogen 2.915 N/A ALA 51.A N VAL 47.A O no hydrogen 2.971 N/A SER 52.A N LYS 48.A O no hydrogen 2.925 N/A SER 52.A OG LYS 48.A O no hydrogen 2.923 N/A SER 52.A OG TYR 49.A O no hydrogen 3.213 N/A SER 52.A OG HIS 53.A ND1 no hydrogen 2.777 N/A HIS 53.A N ILE 50.A O no hydrogen 3.477 N/A HIS 53.A ND1 TYR 49.A O no hydrogen 2.784 N/A ALA 57.A N HIS 53.A O no hydrogen 2.534 N/A LYS 58.A N ASP 54.A O no hydrogen 2.919 N/A ASP 59.A N ILE 56.A O no hydrogen 2.858 N/A CYS 64.A N PRO 60.A O no hydrogen 2.952 N/A CYS 64.A SG PRO 60.A O no hydrogen 3.317 N/A ASP 65.A N LEU 61.A O no hydrogen 2.932 N/A ALA 66.A N PRO 62.A O no hydrogen 2.909 N/A MET 67.A N THR 63.A O no hydrogen 2.888 N/A ILE 68.A N CYS 64.A O no hydrogen 2.903 N/A TRP 69.A N ASP 65.A O no hydrogen 2.947 N/A PHE 70.A N ALA 66.A O no hydrogen 2.852 N/A SER 71.A N MET 67.A O no hydrogen 2.882 N/A ARG 72.A N ILE 68.A O no hydrogen 2.963 N/A ALA 73.A N TRP 69.A O no hydrogen 2.535 N/A LEU 74.A N SER 71.A O no hydrogen 2.649 N/A VAL 81.A N GLU 77.A O no hydrogen 2.697 N/A LEU 82.A N ASN 78.A O no hydrogen 2.959 N/A VAL 83.A N ASN 79.A O no hydrogen 2.919 N/A LEU 84.A N ASP 80.A O no hydrogen 2.963 N/A GLN 85.A N VAL 81.A O no hydrogen 2.901 N/A GLN 86.A N LEU 82.A O no hydrogen 2.919 N/A ARG 87.A N VAL 83.A O no hydrogen 2.935 N/A ARG 87.A NH2 ASP 276.A O no hydrogen 3.210 N/A LEU 88.A N LEU 84.A O no hydrogen 2.906 N/A TYR 89.A N GLN 85.A O no hydrogen 2.941 N/A GLY 90.A N GLN 86.A O no hydrogen 2.972 N/A LEU 91.A N ARG 87.A O no hydrogen 2.884 N/A VAL 92.A N LEU 88.A O no hydrogen 2.926 N/A LYS 93.A N TYR 89.A O no hydrogen 2.948 N/A LEU 94.A N GLY 90.A O no hydrogen 2.936 N/A LEU 95.A N LEU 91.A O no hydrogen 2.903 N/A GLU 96.A N VAL 92.A O no hydrogen 2.904 N/A PHE 97.A N LYS 93.A O no hydrogen 3.090 N/A SER 100.A N ASP 98.A OD1 no hydrogen 3.242 N/A SER 100.A OG ASP 98.A OD1 no hydrogen 2.625 N/A ILE 103.A N TYR 99.A O no hydrogen 3.059 N/A ILE 105.A N VAL 102.A O no hydrogen 2.935 N/A GLN 107.A N ILE 103.A O no hydrogen 3.027 N/A LYS 108.A N ALA 104.A O no hydrogen 2.902 N/A LYS 108.A NZ CYS 255.A O no hydrogen 2.209 N/A ILE 109.A N ILE 105.A O no hydrogen 3.075 N/A SER 110.A N LEU 106.A O no hydrogen 2.785 N/A SER 110.A OG LEU 106.A O no hydrogen 2.938 N/A ILE 111.A N GLN 107.A O no hydrogen 3.354 N/A ASN 112.A ND2 LYS 108.A O no hydrogen 2.448 N/A ASN 112.A ND2 GLN 379.A O no hydrogen 3.109 N/A LEU 113.A N ILE 109.A O no hydrogen 3.014 N/A TRP 114.A N SER 110.A O no hydrogen 2.918 N/A TRP 114.A NE1 PHE 191.A O no hydrogen 2.699 N/A ASN 115.A N ILE 111.A O no hydrogen 2.936 N/A SER 117.A N ASN 115.A OD1 no hydrogen 3.132 N/A SER 117.A OG ASN 115.A OD1 no hydrogen 3.549 N/A ASP 119.A N ASP 382.A OD2 no hydrogen 3.021 N/A SER 120.A N ASP 382.A OD2 no hydrogen 3.324 N/A SER 120.A OG ASP 382.A OD1 no hydrogen 3.272 N/A SER 120.A OG ASP 382.A OD2 no hydrogen 3.232 N/A THR 128.A N ASP 131.A OD2 no hydrogen 3.369 N/A THR 128.A OG1 ASP 131.A OD2 no hydrogen 3.292 N/A CYS 129.A N ASP 346.A OD2 no hydrogen 3.062 N/A GLN 130.A N THR 128.A OG1 no hydrogen 2.534 N/A ASP 131.A N THR 128.A OG1 no hydrogen 2.943 N/A LYS 132.A NZ ASN 115.A O no hydrogen 2.584 N/A LYS 132.A NZ PRO 116.A O no hydrogen 3.370 N/A LYS 132.A NZ THR 118.A OG1 no hydrogen 3.161 N/A LEU 133.A N CYS 129.A O no hydrogen 2.966 N/A LYS 134.A N GLN 130.A O no hydrogen 2.892 N/A LEU 135.A N ASP 131.A O no hydrogen 3.027 N/A LEU 136.A N LYS 132.A O no hydrogen 2.902 N/A LEU 137.A N LEU 133.A O no hydrogen 2.876 N/A ASP 138.A N LYS 134.A O no hydrogen 3.043 N/A PHE 139.A N LEU 135.A O no hydrogen 2.898 N/A GLN 140.A N LEU 136.A O no hydrogen 2.850 N/A GLN 140.A NE2 SER 110.A OG no hydrogen 3.038 N/A GLN 140.A NE2 PHE 191.A O no hydrogen 2.874 N/A TRP 141.A N LEU 137.A O no hydrogen 2.895 N/A LYS 142.A N ASP 138.A O no hydrogen 2.962 N/A LYS 142.A NZ ASN 146.A OD1 no hydrogen 3.125 N/A LYS 142.A NZ HIS 263.A O no hydrogen 2.658 N/A LYS 142.A NZ GLN 266.A O no hydrogen 3.137 N/A PHE 143.A N PHE 139.A O no hydrogen 2.861 N/A ASN 144.A N GLN 140.A O no hydrogen 2.941 N/A ASN 144.A ND2 ASN 297.A OD1 no hydrogen 3.276 N/A THR 145.A N TRP 141.A O no hydrogen 2.859 N/A ASN 146.A N LYS 142.A O no hydrogen 2.505 N/A PHE 149.A N PHE 265.A O no hydrogen 3.270 N/A ASP 151.A N SER 148.A OG no hydrogen 3.427 N/A ARG 152.A N SER 148.A O no hydrogen 2.894 N/A ARG 152.A NE SER 148.A O no hydrogen 3.421 N/A ARG 152.A NH1 VAL 147.A O no hydrogen 3.531 N/A ARG 152.A NH1 TRP 264.A O no hydrogen 2.194 N/A ARG 152.A NH2 ASP 138.A OD2 no hydrogen 3.120 N/A THR 153.A N PHE 149.A O no hydrogen 2.944 N/A THR 153.A OG1 GLU 150.A O no hydrogen 3.026 N/A THR 154.A N ASP 151.A O no hydrogen 2.812 N/A LEU 157.A N ILE 227.A O no hydrogen 2.827 N/A LYS 158.A NZ LEU 224.A O no hydrogen 2.212 N/A LYS 158.A NZ GLU 225.A O no hydrogen 3.112 N/A ASP 159.A N SER 156.A O no hydrogen 2.536 N/A LEU 160.A N LEU 157.A O no hydrogen 2.965 N/A GLN 161.A N ALA 174.A O no hydrogen 2.916 N/A CYS 162.A SG GLY 172.A O no hydrogen 3.904 N/A CYS 162.A SG ALA 322.A O no hydrogen 3.518 N/A ILE 163.A N GLY 172.A O no hydrogen 2.856 N/A ASP 165.A N LYS 170.A O no hydrogen 2.961 N/A ASN 168.A N ASP 165.A OD1 no hydrogen 2.989 N/A ASN 168.A ND2 ASP 165.A OD2 no hydrogen 2.205 N/A LYS 170.A N ASP 165.A O no hydrogen 2.635 N/A LYS 170.A NZ ASP 281.A O no hydrogen 2.682 N/A LYS 170.A NZ ASN 284.A O no hydrogen 3.269 N/A LYS 170.A NZ ASP 290.A OD1 no hydrogen 3.528 N/A LYS 170.A NZ ASP 290.A OD2 no hydrogen 3.081 N/A CYS 171.A SG GLN 302.A O no hydrogen 3.226 N/A GLY 172.A N ILE 163.A O no hydrogen 2.944 N/A LEU 173.A N LEU 183.A O no hydrogen 2.907 N/A ALA 174.A N GLN 161.A O no hydrogen 2.915 N/A HIS 175.A N PHE 181.A O no hydrogen 2.928 N/A HIS 175.A ND1 PRO 179.A O no hydrogen 2.686 N/A HIS 175.A NE2 ASP 159.A OD2 no hydrogen 3.330 N/A PHE 181.A N HIS 175.A O no hydrogen 3.151 N/A LEU 183.A N LEU 173.A O no hydrogen 2.871 N/A VAL 184.A N ASN 297.A OD1 no hydrogen 3.023 N/A GLN 188.A N ASN 186.A OD1 no hydrogen 3.100 N/A SER 189.A OG THR 192.A OG1 no hydrogen 2.531 N/A THR 192.A OG1 SER 189.A O no hydrogen 3.012 N/A THR 192.A OG1 SER 189.A OG no hydrogen 2.531 N/A CYS 193.A N PRO 190.A O no hydrogen 2.917 N/A THR 197.A N CYS 193.A O no hydrogen 3.193 N/A THR 197.A OG1 GLN 140.A OE1 no hydrogen 2.730 N/A THR 197.A OG1 CYS 193.A O no hydrogen 2.833 N/A MET 198.A N PRO 194.A O no hydrogen 2.896 N/A ALA 199.A N ILE 195.A O no hydrogen 2.837 N/A ALA 199.A N PHE 196.A O no hydrogen 2.917 N/A VAL 200.A N PHE 196.A O no hydrogen 2.953 N/A TYR 201.A N THR 197.A O no hydrogen 2.928 N/A TYR 202.A N MET 198.A O no hydrogen 2.882 N/A TYR 202.A OH ILE 229.A O no hydrogen 2.713 N/A TYR 203.A N ALA 199.A O no hydrogen 2.902 N/A TYR 203.A OH ASP 350.A OD2 no hydrogen 2.896 N/A LEU 204.A N VAL 200.A O no hydrogen 2.943 N/A ARG 205.A N TYR 201.A O no hydrogen 2.855 N/A ARG 205.A NH1 PRO 228.A O no hydrogen 2.934 N/A ARG 205.A NH2 PRO 228.A O no hydrogen 2.766 N/A PHE 206.A N TYR 202.A O no hydrogen 2.898 N/A GLY 208.A N TYR 203.A O no hydrogen 2.970 N/A VAL 209.A N TYR 213.A O no hydrogen 2.791 N/A LYS 210.A N ASP 350.A OD1 no hydrogen 2.741 N/A TYR 212.A N VAL 209.A O no hydrogen 2.917 N/A TYR 213.A N VAL 209.A O no hydrogen 2.901 N/A ASP 216.A N ARG 205.A O no hydrogen 2.820 N/A GLY 217.A N PHE 206.A O no hydrogen 3.209 N/A SER 222.A N GLN 219.A O no hydrogen 3.346 N/A LEU 224.A N ILE 220.A O no hydrogen 3.232 N/A ARG 231.A N TYR 201.A OH no hydrogen 3.352 N/A ARG 231.A NE GLY 232.A O no hydrogen 2.952 N/A ARG 231.A NH1 ASP 216.A OD2 no hydrogen 3.286 N/A ARG 231.A NH2 GLY 232.A O no hydrogen 3.315 N/A GLY 232.A N GLN 237.A O no hydrogen 3.069 N/A GLN 237.A N SER 234.A O no hydrogen 3.378 N/A TYR 238.A OH ASP 138.A OD2 no hydrogen 2.887 N/A ARG 240.A NH1 TYR 238.A O no hydrogen 3.132 N/A ARG 240.A NH2 GLN 237.A OE1 no hydrogen 2.628 N/A LEU 244.A N ARG 240.A O no hydrogen 3.361 N/A GLY 245.A N GLU 241.A O no hydrogen 2.932 N/A ASN 246.A N LEU 242.A O no hydrogen 2.873 N/A ASN 246.A N THR 243.A O no hydrogen 2.761 N/A TRP 247.A N THR 243.A O no hydrogen 2.964 N/A TYR 248.A N LEU 244.A O no hydrogen 2.893 N/A THR 250.A OG1 ASN 246.A O no hydrogen 2.533 N/A ILE 251.A N TRP 247.A O no hydrogen 3.330 N/A ILE 251.A N TYR 248.A O no hydrogen 2.953 N/A PHE 252.A N TYR 248.A O no hydrogen 3.024 N/A LYS 253.A N PRO 249.A O no hydrogen 2.687 N/A TYR 254.A N THR 250.A O no hydrogen 3.404 N/A TYR 254.A OH ASP 382.A OD2 no hydrogen 2.473 N/A CYS 255.A N ILE 251.A O no hydrogen 2.829 N/A CYS 255.A SG ILE 251.A O no hydrogen 3.255 N/A GLN 256.A N LYS 253.A O no hydrogen 2.495 N/A LEU 257.A N PHE 252.A O no hydrogen 2.961 N/A LYS 261.A NZ GLU 241.A OE2 no hydrogen 3.018 N/A HIS 263.A N THR 260.A O no hydrogen 2.979 N/A TRP 264.A N LYS 261.A O no hydrogen 3.013 N/A PHE 265.A N LYS 261.A O no hydrogen 2.906 N/A ASN 268.A N ASN 146.A OD1 no hydrogen 3.307 N/A TRP 271.A N ASN 268.A O no hydrogen 3.079 N/A ASP 281.A N ASN 284.A O no hydrogen 2.977 N/A ASN 284.A ND2 ASP 281.A OD2 no hydrogen 3.016 N/A THR 285.A N ILE 288.A O no hydrogen 2.865 N/A THR 285.A OG1 ASP 290.A OD1 no hydrogen 2.529 N/A ASP 290.A N GLU 283.A O no hydrogen 2.910 N/A GLU 294.A N ASP 290.A O no hydrogen 2.891 N/A LYS 295.A N PHE 291.A O no hydrogen 2.937 N/A LYS 295.A NZ PHE 97.A O no hydrogen 2.873 N/A MET 296.A N TYR 292.A O no hydrogen 2.887 N/A ASN 297.A N ILE 293.A O no hydrogen 3.011 N/A ASN 297.A ND2 VAL 182.A O no hydrogen 2.951 N/A ASN 297.A ND2 ILE 293.A O no hydrogen 2.823 N/A ARG 298.A N LYS 295.A O no hydrogen 3.089 N/A ARG 298.A NH1 ASN 144.A OD1 no hydrogen 3.320 N/A ARG 298.A NH2 ASN 144.A OD1 no hydrogen 3.543 N/A THR 299.A OG1 ASN 186.A OD1 no hydrogen 3.376 N/A THR 299.A OG1 LYS 300.A O no hydrogen 3.348 N/A LEU 311.A N ASN 328.A OD1 no hydrogen 3.182 N/A ASP 319.A N ASP 319.A OD2 no hydrogen 2.147 N/A GLN 321.A N PRO 317.A O no hydrogen 3.190 N/A GLN 321.A NE2 PRO 313.A O no hydrogen 3.228 N/A GLN 321.A NE2 ASP 325.A OD2 no hydrogen 3.337 N/A PHE 324.A N ILE 320.A O no hydrogen 2.983 N/A ASP 325.A N GLN 321.A O no hydrogen 2.894 N/A LEU 326.A N ALA 322.A O no hydrogen 2.983 N/A LEU 327.A N VAL 323.A O no hydrogen 2.957 N/A ASN 328.A N PHE 324.A O no hydrogen 2.849 N/A ASN 328.A ND2 VAL 309.A O no hydrogen 3.025 N/A SER 329.A N ASP 325.A O no hydrogen 2.908 N/A SER 329.A OG PRO 305.A O no hydrogen 3.043 N/A VAL 330.A N LEU 326.A O no hydrogen 2.970 N/A LEU 331.A N LEU 327.A O no hydrogen 2.903 N/A VAL 332.A N ASN 328.A O no hydrogen 2.865 N/A THR 333.A N SER 329.A O no hydrogen 2.913 N/A THR 333.A N VAL 330.A O no hydrogen 3.141 N/A THR 333.A OG1 SER 329.A O no hydrogen 2.267 N/A SER 334.A N VAL 330.A O no hydrogen 2.978 N/A SER 334.A N LEU 331.A O no hydrogen 3.200 N/A SER 334.A OG VAL 330.A O no hydrogen 3.504 N/A LEU 337.A N SER 334.A O no hydrogen 3.222 N/A LEU 338.A N SER 334.A O no hydrogen 3.349 N/A TYR 339.A N LEU 335.A O no hydrogen 2.881 N/A ARG 340.A N PRO 336.A O no hydrogen 3.178 N/A ARG 340.A N LEU 337.A O no hydrogen 2.858 N/A VAL 341.A N LEU 337.A O no hydrogen 3.049 N/A PHE 342.A N LEU 338.A O no hydrogen 2.782 N/A HIS 345.A N PHE 342.A O no hydrogen 3.048 N/A ILE 347.A N HIS 345.A ND1 no hydrogen 3.084 N/A PHE 348.A N HIS 345.A O no hydrogen 2.970 N/A LEU 349.A N ASP 346.A O no hydrogen 2.872 N/A ASP 350.A N ILE 347.A O no hydrogen 3.408 N/A SER 352.A OG ASP 350.A OD2 no hydrogen 3.268 N/A LYS 354.A N PRO 351.A O no hydrogen 2.898 N/A LYS 354.A NZ PHE 348.A O no hydrogen 3.302 N/A THR 355.A N SER 352.A O no hydrogen 3.195 N/A THR 355.A OG1 SER 352.A O no hydrogen 3.052 N/A ASN 358.A N THR 355.A OG1 no hydrogen 3.354 N/A ILE 359.A N THR 355.A O no hydrogen 2.937 N/A ALA 360.A N PRO 356.A O no hydrogen 2.960 N/A PHE 361.A N GLN 357.A O no hydrogen 2.848 N/A LEU 362.A N ASN 358.A O no hydrogen 2.979 N/A THR 363.A N ILE 359.A O no hydrogen 3.201 N/A THR 363.A OG1 ILE 359.A O no hydrogen 2.924 N/A GLY 364.A N PHE 361.A O no hydrogen 3.226 N/A SER 372.A N ASP 369.A O no hydrogen 3.190 N/A SER 372.A OG ASP 369.A O no hydrogen 2.220 N/A GLN 373.A N ILE 370.A O no hydrogen 3.025 N/A GLN 373.A NE2 GLN 188.A O no hydrogen 3.482 N/A LEU 377.A N GLN 373.A O no hydrogen 2.989 N/A ALA 378.A N GLU 374.A O no hydrogen 2.966 N/A GLN 379.A N LEU 376.A O no hydrogen 2.971 N/A GLN 379.A NE2 GLN 107.A OE1 no hydrogen 3.274 N/A LEU 380.A N LEU 377.A O no hydrogen 3.319 N/A ILE 381.A N ASN 112.A OD1 no hydrogen 3.126 N/A THR 384.A OG1 THR 386.A O no hydrogen 3.180 N/A THR 384.A OG1 THR 386.A OG1 no hydrogen 3.383 N/A THR 386.A OG1 VAL 341.A O no hydrogen 3.470 N/A THR 386.A OG1 THR 384.A OG1 no hydrogen 3.383 N/A SER 388.A OG VAL 387.A O no hydrogen 3.130 N/A