Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8kd2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 7.A N VAL 126.A O no hydrogen 2.555 N/A TYR 8.A OH HIS 34.A ND1 no hydrogen 3.261 N/A PHE 9.A N VAL 128.A O no hydrogen 3.093 N/A TYR 10.A N TYR 49.A O no hydrogen 3.138 N/A ASP 13.A N ASP 11.A OD1 no hydrogen 2.995 N/A VAL 14.A N ASP 11.A O no hydrogen 3.283 N/A TYR 17.A OH GLU 103.A OE1 no hydrogen 2.507 N/A LYS 26.A NZ HIS 23.A O no hydrogen 2.693 N/A ILE 30.A N PRO 27.A O no hydrogen 3.295 N/A MET 32.A N HIS 28.A O no hydrogen 3.465 N/A ALA 33.A N ARG 29.A O no hydrogen 2.929 N/A HIS 34.A N ILE 30.A O no hydrogen 2.898 N/A SER 35.A N ARG 31.A O no hydrogen 2.853 N/A LEU 36.A N MET 32.A O no hydrogen 2.880 N/A ILE 37.A N ALA 33.A O no hydrogen 2.933 N/A MET 38.A N HIS 34.A O no hydrogen 2.847 N/A ASN 39.A N SER 35.A O no hydrogen 2.884 N/A ASN 39.A ND2 SER 35.A O no hydrogen 3.060 N/A TYR 40.A N LEU 36.A O no hydrogen 2.911 N/A TYR 40.A OH ASP 320.A O no hydrogen 3.131 N/A LYS 44.A NZ GLY 41.A O no hydrogen 2.522 N/A MET 46.A N TYR 43.A O no hydrogen 3.400 N/A ARG 50.A N THR 379.A O no hydrogen 2.935 N/A ARG 50.A NE ALA 51.A O no hydrogen 3.199 N/A ALA 54.A N SER 106.A O no hydrogen 2.793 N/A THR 55.A N GLU 58.A OE2 no hydrogen 3.413 N/A GLN 57.A N GLN 57.A OE1 no hydrogen 3.260 N/A MET 59.A N THR 55.A O no hydrogen 2.837 N/A MET 59.A N LYS 56.A O no hydrogen 3.165 N/A CYS 60.A N LYS 56.A O no hydrogen 3.309 N/A CYS 60.A SG HIS 63.A O no hydrogen 3.323 N/A GLN 61.A N GLU 58.A O no hydrogen 3.421 N/A HIS 63.A ND1 LYS 139.A O no hydrogen 3.039 N/A TYR 67.A N THR 64.A OG1 no hydrogen 3.163 N/A TYR 67.A OH TYR 147.A O no hydrogen 2.848 N/A ILE 68.A N THR 64.A O no hydrogen 3.230 N/A ASP 69.A N ASP 65.A O no hydrogen 2.927 N/A PHE 70.A N GLU 66.A O no hydrogen 2.845 N/A LEU 71.A N TYR 67.A O no hydrogen 2.931 N/A SER 72.A N ILE 68.A O no hydrogen 2.908 N/A SER 72.A OG ILE 68.A O no hydrogen 2.875 N/A SER 72.A OG ASP 69.A O no hydrogen 2.954 N/A ARG 73.A N PHE 70.A O no hydrogen 3.001 N/A ARG 73.A NE ASP 69.A OD1 no hydrogen 3.354 N/A ARG 73.A NH2 ASP 69.A OD2 no hydrogen 2.386 N/A THR 75.A N ASN 78.A OD1 no hydrogen 3.267 N/A ASN 78.A N THR 75.A O no hydrogen 3.241 N/A ASN 78.A ND2 ARG 73.A O no hydrogen 3.495 N/A GLU 80.A N GLU 80.A OE1 no hydrogen 2.666 N/A MET 81.A N ASN 78.A O no hydrogen 3.261 N/A PHE 82.A N ASN 78.A O no hydrogen 3.135 N/A PHE 82.A N LEU 79.A O no hydrogen 3.007 N/A GLU 85.A N GLU 85.A OE1 no hydrogen 2.587 N/A SER 86.A N PHE 82.A O no hydrogen 2.775 N/A SER 86.A OG VAL 91.A O no hydrogen 2.291 N/A VAL 87.A N LYS 83.A O no hydrogen 2.941 N/A LYS 88.A N ARG 84.A O no hydrogen 2.912 N/A VAL 91.A N SER 86.A O no hydrogen 2.726 N/A GLY 92.A N CYS 95.A O no hydrogen 2.567 N/A CYS 95.A SG ASN 90.A OD1 no hydrogen 3.794 N/A CYS 95.A SG ALA 142.A O no hydrogen 3.613 N/A CYS 95.A SG CYS 146.A O no hydrogen 4.039 N/A TYR 104.A N GLY 100.A O no hydrogen 3.081 N/A CYS 105.A N LEU 101.A O no hydrogen 2.993 N/A CYS 105.A SG LEU 101.A O no hydrogen 3.063 N/A SER 106.A N TYR 102.A O no hydrogen 2.869 N/A SER 106.A OG TYR 102.A O no hydrogen 3.237 N/A SER 106.A OG GLU 103.A O no hydrogen 2.597 N/A ILE 107.A N GLU 103.A O no hydrogen 2.923 N/A SER 108.A N TYR 104.A O no hydrogen 2.889 N/A SER 108.A OG ASP 150.A OD2 no hydrogen 2.358 N/A GLY 109.A N CYS 105.A O no hydrogen 2.939 N/A GLY 110.A N SER 106.A O no hydrogen 2.883 N/A GLY 111.A N ILE 107.A O no hydrogen 2.890 N/A SER 112.A N SER 108.A O no hydrogen 2.959 N/A SER 112.A OG SER 108.A O no hydrogen 2.840 N/A MET 113.A N GLY 109.A O no hydrogen 2.904 N/A GLU 114.A N GLY 110.A O no hydrogen 2.842 N/A GLY 115.A N GLY 111.A O no hydrogen 2.926 N/A ALA 116.A N SER 112.A O no hydrogen 2.940 N/A ALA 117.A N MET 113.A O no hydrogen 2.863 N/A ARG 118.A N GLU 114.A O no hydrogen 2.895 N/A ARG 118.A NH2 ASP 378.A OD2 no hydrogen 3.276 N/A LEU 119.A N GLY 115.A O no hydrogen 2.933 N/A ASN 120.A N ALA 116.A O no hydrogen 2.883 N/A ASN 120.A ND2 GLU 157.A O no hydrogen 2.687 N/A ARG 121.A N ALA 117.A O no hydrogen 2.868 N/A GLY 122.A N ARG 118.A O no hydrogen 3.184 N/A LYS 123.A NZ TYR 49.A OH no hydrogen 2.457 N/A CYS 124.A SG GLU 47.A OE2 no hydrogen 3.377 N/A VAL 126.A N ARG 5.A O no hydrogen 2.829 N/A ALA 127.A N MET 290.A O no hydrogen 3.280 N/A VAL 128.A N ALA 7.A O no hydrogen 2.453 N/A ASN 129.A N VAL 292.A O no hydrogen 2.770 N/A TYR 130.A OH TRP 307.A O no hydrogen 3.356 N/A TYR 130.A OH THR 311.A OG1 no hydrogen 3.411 N/A GLY 132.A N ASN 129.A OD1 no hydrogen 2.458 N/A GLY 133.A N ASP 150.A OD1 no hydrogen 3.284 N/A HIS 136.A NE2 HIS 173.A O no hydrogen 2.669 N/A LYS 138.A NZ HIS 136.A O no hydrogen 3.117 N/A LYS 138.A NZ SER 143.A OG no hydrogen 2.508 N/A LYS 138.A NZ ASP 176.A OD2 no hydrogen 2.875 N/A ALA 142.A N PHE 89.A O no hydrogen 2.820 N/A SER 143.A OG GLU 141.A OE2 no hydrogen 2.962 N/A CYS 146.A SG HIS 136.A ND1 no hydrogen 2.907 N/A CYS 146.A SG GLY 144.A O no hydrogen 3.766 N/A ASN 149.A ND2 ALA 137.A O no hydrogen 2.486 N/A ASP 150.A N LEU 134.A O no hydrogen 3.127 N/A LEU 153.A N ASN 149.A O no hydrogen 3.390 N/A GLY 154.A N ASP 150.A O no hydrogen 2.873 N/A ILE 155.A N ILE 151.A O no hydrogen 2.644 N/A LEU 158.A N ILE 155.A O no hydrogen 3.048 N/A LEU 159.A N ILE 156.A O no hydrogen 3.258 N/A ARG 160.A NE ILE 156.A O no hydrogen 3.284 N/A HIS 162.A N LEU 158.A O no hydrogen 2.900 N/A HIS 162.A ND1 LEU 158.A O no hydrogen 3.054 N/A ARG 164.A NE GLN 248.A O no hydrogen 2.490 N/A VAL 165.A N ARG 187.A O no hydrogen 2.874 N/A LEU 166.A N ALA 251.A O no hydrogen 2.945 N/A TYR 167.A N MET 189.A O no hydrogen 2.868 N/A ILE 168.A N VAL 253.A O no hydrogen 2.921 N/A ASP 169.A N CYS 191.A O no hydrogen 2.749 N/A HIS 174.A NE2 THR 203.A O no hydrogen 2.912 N/A ASP 176.A N HIS 174.A O no hydrogen 3.070 N/A GLY 177.A N ASP 176.A OD1 no hydrogen 2.918 N/A GLU 179.A N GLY 175.A O no hydrogen 3.120 N/A GLU 180.A N ASP 176.A O no hydrogen 2.909 N/A ALA 181.A N GLY 177.A O no hydrogen 2.903 N/A MET 189.A N VAL 165.A O no hydrogen 2.767 N/A CYS 191.A N TYR 167.A O no hydrogen 2.759 N/A SER 192.A N VAL 219.A O no hydrogen 3.286 N/A SER 192.A OG HIS 174.A ND1 no hydrogen 3.368 N/A SER 192.A OG HIS 194.A ND1 no hydrogen 2.945 N/A PHE 193.A N ASP 169.A O no hydrogen 2.593 N/A HIS 194.A N VAL 221.A O no hydrogen 3.407 N/A TYR 196.A N LEU 223.A O no hydrogen 3.309 N/A THR 203.A OG1 HIS 174.A NE2 no hydrogen 3.220 N/A ARG 207.A NH2 GLU 205.A OE2 no hydrogen 3.457 N/A GLY 214.A N THR 184.A O no hydrogen 2.920 N/A LYS 215.A N GLY 212.A O no hydrogen 3.293 N/A LYS 215.A NZ ASN 216.A OD1 no hydrogen 3.527 N/A ASN 216.A ND2 ASN 364.A O no hydrogen 2.706 N/A TYR 217.A N GLY 214.A O no hydrogen 3.098 N/A TYR 217.A OH LYS 369.A O no hydrogen 2.418 N/A ASN 220.A ND2 GLU 179.A OE2 no hydrogen 2.815 N/A VAL 221.A N SER 192.A O no hydrogen 3.226 N/A LEU 223.A N HIS 194.A O no hydrogen 2.517 N/A ARG 224.A NH1 VAL 348.A O no hydrogen 2.832 N/A GLY 226.A N ARG 224.A O no hydrogen 2.759 N/A ASP 228.A N ASN 347.A OD1 no hydrogen 3.052 N/A THR 231.A OG1 ASP 228.A O no hydrogen 2.882 N/A TYR 232.A N ASP 228.A O no hydrogen 2.912 N/A ARG 233.A N ASP 229.A O no hydrogen 2.892 N/A ARG 233.A NE GLU 237.A OE2 no hydrogen 2.967 N/A ARG 233.A NH2 GLU 237.A OE2 no hydrogen 3.053 N/A SER 234.A N ALA 230.A O no hydrogen 2.914 N/A SER 234.A OG THR 231.A O no hydrogen 2.856 N/A VAL 235.A N THR 231.A O no hydrogen 2.903 N/A PHE 236.A N ARG 233.A O no hydrogen 3.256 N/A GLU 237.A N ARG 233.A O no hydrogen 2.930 N/A ILE 240.A N PHE 236.A O no hydrogen 3.099 N/A LYS 241.A N GLU 237.A O no hydrogen 2.920 N/A LYS 242.A N PRO 238.A O no hydrogen 2.897 N/A ILE 243.A N VAL 239.A O no hydrogen 2.911 N/A MET 244.A N ILE 240.A O no hydrogen 2.907 N/A GLU 245.A N LYS 241.A O no hydrogen 2.898 N/A TRP 246.A N ILE 243.A O no hydrogen 3.178 N/A TYR 247.A N ILE 243.A O no hydrogen 2.644 N/A TYR 247.A OH VAL 165.A O no hydrogen 3.176 N/A TYR 247.A OH ASP 186.A O no hydrogen 3.252 N/A SER 250.A N ARG 164.A O no hydrogen 2.996 N/A SER 250.A OG ARG 164.A O no hydrogen 3.479 N/A VAL 252.A N PRO 289.A O no hydrogen 2.765 N/A VAL 253.A N LEU 166.A O no hydrogen 2.705 N/A LEU 254.A N MET 291.A O no hydrogen 2.889 N/A GLN 255.A N ILE 168.A O no hydrogen 2.936 N/A CYS 256.A N VAL 293.A O no hydrogen 2.408 N/A SER 260.A OG SER 260.A O no hydrogen 2.238 N/A SER 262.A OG ASN 270.A OD1 no hydrogen 3.320 N/A SER 262.A OG ARG 341.A O no hydrogen 2.826 N/A GLY 263.A N LEU 261.A O no hydrogen 2.774 N/A ASN 270.A ND2 SER 343.A O no hydrogen 2.492 N/A ASN 270.A ND2 MET 345.A O no hydrogen 3.664 N/A SER 272.A N ASP 229.A OD1 no hydrogen 3.420 N/A SER 272.A OG ASP 229.A OD2 no hydrogen 2.476 N/A HIS 276.A N SER 272.A O no hydrogen 3.056 N/A HIS 276.A ND1 HIS 276.A O no hydrogen 3.098 N/A HIS 276.A NE2 GLY 257.A O no hydrogen 3.015 N/A ALA 277.A N MET 273.A O no hydrogen 2.947 N/A ASN 278.A N GLU 274.A O no hydrogen 3.145 N/A ASN 278.A ND2 GLU 237.A OE2 no hydrogen 3.473 N/A CYS 279.A SG GLY 275.A O no hydrogen 3.758 N/A ASN 281.A N ALA 277.A O no hydrogen 2.829 N/A TYR 282.A N ASN 278.A O no hydrogen 2.836 N/A TYR 282.A OH GLU 237.A O no hydrogen 3.219 N/A LYS 284.A N VAL 280.A O no hydrogen 2.922 N/A LYS 284.A NZ LEU 313.A O no hydrogen 2.972 N/A LYS 284.A NZ LEU 314.A O no hydrogen 3.486 N/A LYS 284.A NZ ASN 316.A OD1 no hydrogen 2.816 N/A SER 285.A N TYR 282.A O no hydrogen 3.091 N/A SER 285.A OG ASN 281.A O no hydrogen 2.520 N/A SER 285.A OG TYR 282.A O no hydrogen 3.043 N/A GLY 287.A N LYS 284.A O no hydrogen 3.104 N/A MET 290.A N ASP 125.A O no hydrogen 3.391 N/A MET 291.A N VAL 252.A O no hydrogen 2.630 N/A VAL 292.A N ALA 127.A O no hydrogen 2.631 N/A VAL 293.A N LEU 254.A O no hydrogen 2.816 N/A GLY 294.A N ASN 129.A O no hydrogen 3.135 N/A GLY 297.A N ASP 259.A OD1 no hydrogen 2.502 N/A THR 299.A OG1 GLY 263.A O no hydrogen 3.092 N/A VAL 303.A N THR 299.A O no hydrogen 3.281 N/A ALA 304.A N MET 300.A O no hydrogen 2.919 N/A ARG 305.A N ARG 301.A O no hydrogen 2.902 N/A THR 306.A N ASN 302.A O no hydrogen 2.941 N/A TRP 307.A N VAL 303.A O no hydrogen 2.915 N/A TRP 307.A NE1 CYS 256.A O no hydrogen 2.967 N/A CYS 308.A N ALA 304.A O no hydrogen 2.910 N/A PHE 309.A N ARG 305.A O no hydrogen 2.932 N/A GLU 310.A N THR 306.A O no hydrogen 2.880 N/A THR 311.A N TRP 307.A O no hydrogen 2.896 N/A THR 311.A OG1 TYR 130.A OH no hydrogen 3.411 N/A THR 311.A OG1 TRP 307.A O no hydrogen 2.516 N/A GLY 312.A N CYS 308.A O no hydrogen 2.870 N/A LEU 313.A N PHE 309.A O no hydrogen 2.963 N/A LEU 314.A N GLU 310.A O no hydrogen 2.901 N/A ASN 316.A N LEU 313.A O no hydrogen 2.651 N/A ASN 316.A ND2 ASP 2.A O no hydrogen 2.989 N/A VAL 317.A N GLY 312.A O no hydrogen 3.465 N/A TYR 325.A OH HIS 390.A O no hydrogen 3.236 N/A LEU 338.A N LYS 321.A O no hydrogen 2.686 N/A SER 339.A N LYS 337.A O no hydrogen 2.973 N/A ARG 341.A NH2 ASP 335.A OD2 no hydrogen 3.091 N/A SER 343.A N SER 262.A OG no hydrogen 3.051 N/A SER 343.A N ASN 270.A OD1 no hydrogen 3.092 N/A SER 343.A OG ASN 270.A OD1 no hydrogen 2.578 N/A ASN 347.A ND2 THR 231.A OG1 no hydrogen 3.404 N/A TYR 353.A OH PRO 222.A O no hydrogen 2.461 N/A LEU 354.A N THR 350.A O no hydrogen 2.813 N/A ASP 355.A N PRO 351.A O no hydrogen 2.882 N/A LYS 356.A N GLU 352.A O no hydrogen 2.905 N/A VAL 357.A N TYR 353.A O no hydrogen 2.933 N/A MET 358.A N LEU 354.A O no hydrogen 2.884 N/A THR 359.A N ASP 355.A O no hydrogen 2.889 N/A THR 359.A OG1 ASP 355.A O no hydrogen 3.053 N/A THR 359.A OG1 LYS 356.A O no hydrogen 2.649 N/A ASN 360.A N LYS 356.A O no hydrogen 2.978 N/A ILE 361.A N VAL 357.A O no hydrogen 2.906 N/A PHE 362.A N MET 358.A O no hydrogen 2.919 N/A ALA 363.A N THR 359.A O no hydrogen 2.933 N/A ASN 364.A N ASN 360.A O no hydrogen 2.877 N/A LEU 365.A N ILE 361.A O no hydrogen 2.888 N/A ALA 374.A N GLU 157.A OE2 no hydrogen 3.027 N/A GLU 375.A N GLU 375.A OE1 no hydrogen 2.690 N/A LYS 380.A NZ ILE 48.A O no hydrogen 3.431 N/A GLN 384.A NE2 SER 383.A OG no hydrogen 3.130 N/A ARG 387.A NE ASN 39.A OD1 no hydrogen 3.399 N/A ARG 387.A NH1 TYR 43.A OH no hydrogen 2.615 N/A ARG 387.A NH2 ASN 39.A O no hydrogen 3.322 N/A