Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kmr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N GLU 28.A O no hydrogen 2.911 N/A SER 3.A N ASP 99.A OD1 no hydrogen 2.393 N/A SER 3.A OG HIS 97.A ND1 no hydrogen 3.265 N/A SER 3.A OG HIS 97.A O no hydrogen 3.288 N/A SER 3.A OG ASP 99.A OD1 no hydrogen 2.951 N/A ILE 4.A N ASP 30.A O no hydrogen 2.776 N/A VAL 5.A N TYR 100.A O no hydrogen 3.115 N/A ILE 6.A N THR 32.A O no hydrogen 2.810 N/A LEU 7.A N VAL 102.A O no hydrogen 2.807 N/A GLY 8.A N VAL 34.A O no hydrogen 2.723 N/A ALA 9.A N ASN 35.A OD1 no hydrogen 3.428 N/A ILE 14.A N GLY 10.A O no hydrogen 2.767 N/A ALA 16.A N GLY 12.A O no hydrogen 3.319 N/A ALA 17.A N GLY 13.A O no hydrogen 3.089 N/A LEU 18.A N ILE 14.A O no hydrogen 2.925 N/A GLY 19.A N VAL 15.A O no hydrogen 2.774 N/A LEU 20.A N ALA 16.A O no hydrogen 3.033 N/A GLN 21.A N ALA 17.A O no hydrogen 2.903 N/A LYS 22.A N LEU 18.A O no hydrogen 3.146 N/A ARG 23.A N GLY 19.A O no hydrogen 3.006 N/A LEU 24.A N LEU 20.A O no hydrogen 2.993 N/A GLU 28.A N ASN 25.A O no hydrogen 3.050 N/A ASP 30.A N PRO 2.A O no hydrogen 2.629 N/A THR 32.A N ILE 4.A O no hydrogen 2.890 N/A THR 32.A OG1 ILE 4.A O no hydrogen 3.525 N/A LEU 33.A N LYS 73.A O no hydrogen 2.823 N/A VAL 34.A N ILE 6.A O no hydrogen 2.930 N/A ASN 35.A N VAL 75.A O no hydrogen 3.044 N/A ASN 35.A ND2 ASN 37.A O no hydrogen 2.563 N/A ASN 35.A ND2 TYR 39.A O no hydrogen 3.138 N/A HIS 40.A N VAL 61.A O no hydrogen 2.749 N/A HIS 40.A NE2 TYR 381.A OH no hydrogen 2.724 N/A ILE 42.A N ALA 59.A O no hydrogen 2.636 N/A THR 44.A N TYR 11.A OH no hydrogen 3.466 N/A THR 44.A OG1 TYR 11.A OH no hydrogen 3.306 N/A GLU 45.A N ILE 42.A O no hydrogen 3.216 N/A LEU 46.A N THR 43.A O no hydrogen 3.289 N/A HIS 47.A N HIS 47.A ND1 no hydrogen 2.897 N/A GLN 48.A N GLU 45.A O no hydrogen 3.257 N/A ALA 51.A N HIS 47.A O no hydrogen 3.280 N/A GLY 52.A N GLN 48.A O no hydrogen 2.896 N/A THR 53.A N GLN 48.A O no hydrogen 3.004 N/A THR 53.A OG1 GLN 48.A O no hydrogen 3.156 N/A THR 53.A OG1 GLU 171.A OE1 no hydrogen 2.700 N/A ASP 57.A N HIS 55.A ND1 no hydrogen 3.237 N/A GLN 58.A N HIS 55.A O no hydrogen 3.169 N/A ALA 59.A N HIS 56.A O no hydrogen 2.894 N/A ARG 60.A NE ASP 57.A OD1 no hydrogen 2.883 N/A ARG 60.A NH2 ASP 57.A OD1 no hydrogen 2.718 N/A VAL 61.A N HIS 40.A O no hydrogen 2.951 N/A ILE 63.A N ASP 38.A O no hydrogen 3.261 N/A LEU 66.A N ILE 63.A O no hydrogen 2.899 N/A ILE 67.A N ILE 63.A O no hydrogen 3.178 N/A ASP 68.A N GLN 21.A OE1 no hydrogen 3.289 N/A LYS 71.A N GLU 69.A O no hydrogen 2.276 N/A LYS 73.A N ILE 31.A O no hydrogen 2.678 N/A VAL 75.A N LEU 33.A O no hydrogen 2.641 N/A LYS 76.A NZ ASP 38.A OD2 no hydrogen 3.185 N/A ASP 77.A N ASN 35.A O no hydrogen 2.836 N/A THR 78.A N ASP 77.A OD2 no hydrogen 2.615 N/A VAL 80.A N THR 90.A O no hydrogen 2.815 N/A ALA 81.A N THR 90.A O no hydrogen 3.469 N/A ILE 82.A N SER 269.A OG no hydrogen 3.114 N/A ASP 83.A N LYS 88.A O no hydrogen 2.915 N/A ARG 84.A NH1 GLY 270.A O no hydrogen 3.343 N/A ARG 84.A NH2 GLY 270.A O no hydrogen 2.885 N/A LYS 88.A N ASP 83.A O no hydrogen 2.965 N/A VAL 89.A N LEU 96.A O no hydrogen 2.524 N/A THR 90.A N ALA 81.A O no hydrogen 3.188 N/A THR 90.A OG1 ALA 81.A O no hydrogen 3.253 N/A LEU 91.A N GLY 94.A O no hydrogen 2.720 N/A GLN 92.A N THR 78.A O no hydrogen 3.090 N/A ASN 93.A N ASP 77.A OD2 no hydrogen 3.403 N/A LEU 96.A N VAL 89.A O no hydrogen 2.693 N/A HIS 97.A ND1 SER 3.A OG no hydrogen 3.265 N/A TYR 98.A N GLN 87.A O no hydrogen 2.842 N/A ASP 99.A N SER 3.A O no hydrogen 2.759 N/A LEU 101.A N ASN 291.A O no hydrogen 2.917 N/A VAL 102.A N VAL 5.A O no hydrogen 3.053 N/A VAL 103.A N PHE 293.A O no hydrogen 2.702 N/A GLY 104.A N LEU 7.A O no hydrogen 2.895 N/A SER 107.A OG ARG 261.A O no hydrogen 3.550 N/A SER 107.A OG ASP 297.A OD2 no hydrogen 2.576 N/A GLU 108.A N ARG 261.A O no hydrogen 2.588 N/A GLU 110.A N GLY 259.A O no hydrogen 3.211 N/A PHE 112.A N GLU 110.A OE2 no hydrogen 3.311 N/A ILE 114.A N THR 111.A O no hydrogen 2.888 N/A HIS 120.A N GLY 116.A O no hydrogen 2.832 N/A ALA 121.A N LEU 117.A O no hydrogen 3.108 N/A PHE 122.A N VAL 254.A O no hydrogen 3.009 N/A ASN 125.A N SER 129.A OG no hydrogen 3.290 N/A SER 126.A N SER 129.A OG no hydrogen 2.916 N/A SER 126.A OG SER 129.A OG no hydrogen 3.192 N/A SER 129.A N SER 126.A OG no hydrogen 3.022 N/A SER 129.A OG SER 123.A O no hydrogen 3.141 N/A SER 129.A OG ASN 125.A OD1 no hydrogen 3.088 N/A SER 129.A OG SER 126.A O no hydrogen 2.745 N/A SER 129.A OG SER 126.A OG no hydrogen 3.192 N/A VAL 130.A N SER 126.A O no hydrogen 3.124 N/A ARG 131.A N ILE 127.A O no hydrogen 3.188 N/A ILE 132.A N ASN 128.A O no hydrogen 3.164 N/A ILE 133.A N SER 129.A O no hydrogen 2.922 N/A ARG 134.A N VAL 130.A O no hydrogen 2.927 N/A ARG 134.A NE GLN 135.A OE1 no hydrogen 3.198 N/A ARG 134.A NH2 GLN 135.A OE1 no hydrogen 3.556 N/A GLN 135.A N ARG 131.A O no hydrogen 3.009 N/A HIS 136.A N ILE 132.A O no hydrogen 2.834 N/A HIS 136.A NE2 ALA 252.A O no hydrogen 3.085 N/A ILE 137.A N ILE 133.A O no hydrogen 3.129 N/A GLU 138.A N ARG 134.A O no hydrogen 3.170 N/A TYR 139.A N GLN 135.A O no hydrogen 2.935 N/A GLN 140.A N HIS 136.A O no hydrogen 2.950 N/A GLN 140.A NE2 HIS 136.A O no hydrogen 2.350 N/A PHE 141.A N ILE 137.A O no hydrogen 2.992 N/A ALA 142.A N GLU 138.A O no hydrogen 3.091 N/A LYS 143.A N TYR 139.A O no hydrogen 3.210 N/A LYS 143.A NZ GLN 140.A OE1 no hydrogen 3.280 N/A GLU 147.A N LYS 143.A O no hydrogen 3.337 N/A GLU 149.A N GLU 149.A OE1 no hydrogen 2.707 N/A ARG 150.A N GLU 147.A O no hydrogen 3.140 N/A ARG 150.A NE ASP 152.A OD1 no hydrogen 3.161 N/A ARG 150.A NE ASP 152.A OD2 no hydrogen 3.255 N/A ARG 150.A NH2 ASP 152.A OD2 no hydrogen 2.925 N/A ASP 152.A N ASP 152.A OD1 no hydrogen 2.502 N/A TYR 153.A OH GLU 147.A OE2 no hydrogen 2.813 N/A LEU 154.A N THR 151.A O no hydrogen 3.000 N/A THR 155.A N ASP 152.A O no hydrogen 3.241 N/A THR 155.A OG1 THR 151.A O no hydrogen 3.152 N/A ILE 156.A N ARG 191.A O no hydrogen 2.849 N/A VAL 157.A N THR 253.A O no hydrogen 3.054 N/A VAL 158.A N ILE 193.A O no hydrogen 2.741 N/A GLY 159.A N VAL 255.A O no hydrogen 2.791 N/A GLY 160.A N VAL 195.A O no hydrogen 2.738 N/A ALA 161.A N GLU 196.A OE1 no hydrogen 2.736 N/A ILE 166.A N GLY 162.A O no hydrogen 2.923 N/A GLU 167.A N PHE 163.A O no hydrogen 2.835 N/A PHE 168.A N THR 164.A O no hydrogen 3.000 N/A VAL 169.A N GLY 165.A O no hydrogen 2.997 N/A GLY 170.A N ILE 166.A O no hydrogen 3.227 N/A GLU 171.A N GLU 167.A O no hydrogen 3.239 N/A LEU 172.A N PHE 168.A O no hydrogen 2.832 N/A ALA 173.A N VAL 169.A O no hydrogen 2.894 N/A ASP 174.A N GLY 170.A O no hydrogen 3.303 N/A ARG 175.A N GLU 171.A O no hydrogen 3.141 N/A ARG 175.A N LEU 172.A O no hydrogen 3.254 N/A ARG 175.A NH2 GLU 138.A OE2 no hydrogen 2.752 N/A LEU 179.A N ARG 175.A O no hydrogen 2.906 N/A CYS 180.A N MET 176.A O no hydrogen 2.732 N/A CYS 180.A SG MET 176.A O no hydrogen 3.226 N/A ALA 181.A N PRO 177.A O no hydrogen 3.205 N/A GLU 182.A N GLU 178.A O no hydrogen 3.206 N/A TYR 183.A N LEU 179.A O no hydrogen 3.376 N/A TYR 183.A OH GLU 138.A OE1 no hydrogen 2.773 N/A VAL 185.A N CYS 180.A O no hydrogen 2.875 N/A LEU 189.A N ASP 186.A O no hydrogen 2.891 N/A VAL 190.A N PRO 187.A O no hydrogen 3.333 N/A ARG 191.A N LEU 154.A O no hydrogen 3.078 N/A ARG 191.A NE GLU 223.A OE1 no hydrogen 3.567 N/A ILE 193.A N ILE 156.A O no hydrogen 2.849 N/A ASN 194.A N GLU 223.A O no hydrogen 2.676 N/A ASN 194.A ND2 VAL 158.A O no hydrogen 2.855 N/A ASN 194.A ND2 GLY 160.A O no hydrogen 3.108 N/A VAL 195.A N VAL 158.A O no hydrogen 3.022 N/A GLU 196.A N LYS 225.A O no hydrogen 2.789 N/A ALA 198.A N GLU 196.A OE2 no hydrogen 2.896 N/A LEU 202.A N ALA 161.A O no hydrogen 3.070 N/A VAL 210.A N ASP 206.A O no hydrogen 3.108 N/A ASN 211.A N PRO 207.A O no hydrogen 2.989 N/A TYR 212.A N ALA 208.A O no hydrogen 3.240 N/A TYR 212.A OH ASP 355.A OD2 no hydrogen 3.347 N/A ALA 213.A N LEU 209.A O no hydrogen 2.755 N/A MET 214.A N VAL 210.A O no hydrogen 2.902 N/A ASP 215.A N ASN 211.A O no hydrogen 2.913 N/A VAL 216.A N TYR 212.A O no hydrogen 3.059 N/A LEU 217.A N ALA 213.A O no hydrogen 3.018 N/A GLY 218.A N MET 214.A O no hydrogen 2.757 N/A GLY 219.A N ASP 215.A O no hydrogen 3.108 N/A LYS 220.A N VAL 216.A O no hydrogen 3.196 N/A LYS 220.A NZ GLY 170.A O no hydrogen 3.563 N/A LYS 220.A NZ ASP 174.A OD1 no hydrogen 2.593 N/A LYS 220.A NZ LEU 351.A O no hydrogen 2.883 N/A GLY 221.A N GLY 218.A O no hydrogen 3.154 N/A VAL 222.A N LEU 217.A O no hydrogen 2.904 N/A GLU 223.A N ILE 192.A O no hydrogen 2.723 N/A LYS 225.A N ASN 194.A O no hydrogen 2.873 N/A GLY 227.A N ALA 198.A O no hydrogen 2.861 N/A THR 228.A N GLU 196.A O no hydrogen 2.940 N/A THR 228.A OG1 ILE 226.A O no hydrogen 3.321 N/A LYS 231.A N VAL 239.A O no hydrogen 2.726 N/A ARG 232.A N VAL 239.A O no hydrogen 3.370 N/A CYS 233.A N GLU 115.A O no hydrogen 2.835 N/A CYS 233.A SG GLY 116.A O no hydrogen 3.982 N/A CYS 233.A SG THR 234.A O no hydrogen 4.021 N/A CYS 233.A SG GLY 237.A O no hydrogen 3.943 N/A THR 234.A N GLY 237.A O no hydrogen 2.627 N/A THR 234.A OG1 GLY 237.A O no hydrogen 2.899 N/A GLY 237.A N THR 234.A O no hydrogen 3.193 N/A GLY 237.A N THR 234.A OG1 no hydrogen 2.876 N/A VAL 238.A N ILE 249.A O no hydrogen 3.035 N/A VAL 239.A N ARG 232.A O no hydrogen 2.766 N/A ILE 240.A N GLU 247.A O no hydrogen 2.876 N/A GLU 241.A N PRO 229.A O no hydrogen 3.176 N/A VAL 242.A N GLU 245.A O no hydrogen 2.860 N/A GLU 245.A N VAL 242.A O no hydrogen 3.037 N/A GLU 247.A N ILE 240.A O no hydrogen 2.694 N/A ILE 249.A N VAL 238.A O no hydrogen 3.060 N/A ALA 252.A N ASP 152.A O no hydrogen 2.882 N/A VAL 255.A N VAL 157.A O no hydrogen 2.889 N/A TRP 256.A N PHE 122.A O no hydrogen 2.758 N/A TRP 256.A NE1 GLU 110.A O no hydrogen 2.819 N/A THR 257.A N GLY 159.A O no hydrogen 2.786 N/A THR 257.A OG1 GLY 159.A O no hydrogen 2.663 N/A THR 257.A OG1 GLY 160.A O no hydrogen 2.805 N/A ARG 261.A N GLU 108.A O no hydrogen 2.595 N/A ARG 261.A NH1 GLU 267.A OE1 no hydrogen 2.813 N/A ARG 261.A NH2 GLU 110.A OE1 no hydrogen 3.569 N/A GLY 262.A N ARG 275.A O no hydrogen 3.114 N/A ASN 263.A ND2 LEU 105.A O no hydrogen 3.484 N/A SER 264.A OG GLU 108.A OE1 no hydrogen 3.227 N/A SER 264.A OG GLU 108.A OE2 no hydrogen 3.000 N/A ILE 265.A N ASN 263.A OD1 no hydrogen 2.935 N/A VAL 266.A N ASN 263.A O no hydrogen 3.246 N/A LYS 268.A N SER 264.A O no hydrogen 2.817 N/A SER 269.A OG ILE 265.A O no hydrogen 2.797 N/A GLY 270.A N GLU 267.A O no hydrogen 3.201 N/A MET 274.A N ARG 277.A O no hydrogen 2.853 N/A ARG 275.A NH2 VAL 260.A O no hydrogen 3.219 N/A ARG 277.A N MET 274.A O no hydrogen 3.069 N/A ARG 277.A NE ASP 297.A O no hydrogen 3.169 N/A ARG 277.A NE ALA 299.A O no hydrogen 3.289 N/A ARG 277.A NH2 ALA 299.A O no hydrogen 2.934 N/A ARG 277.A NH2 TYR 310.A O no hydrogen 3.508 N/A ILE 278.A N CYS 298.A O no hydrogen 2.899 N/A VAL 280.A N LEU 300.A O no hydrogen 3.368 N/A ASP 281.A N ARG 285.A O no hydrogen 3.104 N/A LEU 284.A N ASP 281.A O no hydrogen 2.948 N/A ARG 285.A N ASP 281.A OD1 no hydrogen 2.409 N/A ARG 285.A NE ASP 281.A OD2 no hydrogen 2.255 N/A ALA 286.A N ILE 292.A O no hydrogen 3.148 N/A HIS 289.A N ALA 286.A O no hydrogen 2.857 N/A ASN 291.A ND2 ASP 99.A O no hydrogen 3.031 N/A PHE 293.A N LEU 101.A O no hydrogen 2.623 N/A ILE 294.A N LEU 284.A O no hydrogen 3.128 N/A VAL 295.A N VAL 103.A O no hydrogen 2.860 N/A GLY 296.A N HIS 320.A ND1 no hydrogen 2.977 N/A CYS 298.A SG GLY 106.A O no hydrogen 3.347 N/A ALA 299.A N GLY 296.A O no hydrogen 3.093 N/A LEU 300.A N ILE 278.A O no hydrogen 2.601 N/A ASN 303.A N ARG 308.A O no hydrogen 3.401 N/A TYR 310.A N ILE 301.A O no hydrogen 2.723 N/A ILE 316.A N THR 313.A OG1 no hydrogen 3.417 N/A ALA 317.A N THR 313.A O no hydrogen 3.100 N/A ILE 318.A N ALA 314.A O no hydrogen 2.877 N/A GLN 319.A NE2 HIS 343.A O no hydrogen 2.907 N/A HIS 320.A N ILE 316.A O no hydrogen 2.915 N/A GLY 321.A N ALA 317.A O no hydrogen 3.211 N/A GLU 322.A N ILE 318.A O no hydrogen 3.264 N/A ASN 323.A N GLN 319.A O no hydrogen 3.244 N/A VAL 324.A N HIS 320.A O no hydrogen 2.974 N/A ALA 325.A N GLY 321.A O no hydrogen 2.901 N/A ALA 326.A N GLU 322.A O no hydrogen 3.165 N/A ASN 327.A N ASN 323.A O no hydrogen 2.967 N/A ASN 327.A ND2 THR 338.A O no hydrogen 3.207 N/A LEU 328.A N VAL 324.A O no hydrogen 2.739 N/A ALA 329.A N ALA 325.A O no hydrogen 3.204 N/A ALA 330.A N ALA 326.A O no hydrogen 3.188 N/A LEU 331.A N ASN 327.A O no hydrogen 3.025 N/A ILE 332.A N LEU 328.A O no hydrogen 2.984 N/A ARG 333.A N ALA 329.A O no hydrogen 3.025 N/A GLY 334.A N LEU 331.A O no hydrogen 3.234 N/A GLY 335.A N ALA 330.A O no hydrogen 2.467 N/A THR 338.A N ASN 327.A OD1 no hydrogen 2.963 N/A PHE 340.A N PRO 282.A O no hydrogen 2.519 N/A HIS 343.A N GLN 319.A OE1 no hydrogen 3.088 N/A ARG 345.A N GLN 315.A OE1 no hydrogen 2.941 N/A THR 347.A N ILE 359.A O no hydrogen 3.281 N/A ALA 349.A N ILE 357.A O no hydrogen 2.570 N/A SER 350.A N GLU 167.A OE2 no hydrogen 3.055 N/A SER 350.A OG HIS 47.A NE2 no hydrogen 3.368 N/A LEU 351.A N ASP 355.A O no hydrogen 2.767 N/A ARG 353.A N ASP 174.A OD2 no hydrogen 3.173 N/A ARG 353.A NE GLU 171.A OE1 no hydrogen 3.015 N/A ARG 353.A NE GLU 171.A OE2 no hydrogen 2.957 N/A ARG 353.A NH2 GLU 171.A OE2 no hydrogen 3.093 N/A ILE 357.A N ALA 349.A O no hydrogen 2.655 N/A GLY 358.A N VAL 365.A O no hydrogen 3.057 N/A VAL 360.A N ARG 363.A O no hydrogen 2.609 N/A ARG 363.A N VAL 360.A O no hydrogen 3.109 N/A VAL 365.A N GLY 358.A O no hydrogen 2.678 N/A GLY 367.A N ALA 356.A O no hydrogen 3.226 N/A SER 371.A N GLY 367.A O no hydrogen 3.138 N/A SER 371.A OG ARG 353.A O no hydrogen 3.412 N/A TRP 372.A N HIS 368.A O no hydrogen 3.014 N/A LEU 373.A N ALA 369.A O no hydrogen 3.042 N/A LYS 374.A N ALA 370.A O no hydrogen 3.073 N/A LYS 374.A NZ GLU 167.A OE2 no hydrogen 3.400 N/A LYS 375.A N SER 371.A O no hydrogen 3.168 N/A LEU 376.A N TRP 372.A O no hydrogen 2.844 N/A ILE 377.A N LEU 373.A O no hydrogen 2.673 N/A ASP 378.A N LYS 374.A O no hydrogen 2.867 N/A MET 379.A N LYS 375.A O no hydrogen 3.078 N/A ARG 380.A N LEU 376.A O no hydrogen 2.951 N/A TYR 381.A N ILE 377.A O no hydrogen 3.348 N/A TYR 381.A N ASP 378.A O no hydrogen 3.234 N/A TYR 381.A OH HIS 40.A NE2 no hydrogen 2.724 N/A LEU 382.A N ASP 378.A O no hydrogen 3.453 N/A TYR 383.A N MET 379.A O no hydrogen 3.142 N/A LEU 384.A N ARG 380.A O no hydrogen 3.027 N/A ILE 385.A N TYR 381.A O no hydrogen 3.196 N/A GLY 386.A N LEU 382.A O no hydrogen 2.803 N/A GLY 387.A N TYR 383.A O no hydrogen 2.937 N/A VAL 391.A N GLY 387.A O no hydrogen 3.404 N/A LEU 392.A N LEU 388.A O no hydrogen 3.155 N/A LYS 393.A N SER 389.A O no hydrogen 3.263 N/A