Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pty_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N LYS 80.A O no hydrogen 2.922 N/A VAL 6.A N GLU 82.A O no hydrogen 2.894 N/A VAL 8.A N ILE 84.A O no hydrogen 2.894 N/A CYS 10.A SG MET 86.A O no hydrogen 3.934 N/A HIS 13.A ND1 LYS 11.A O no hydrogen 3.131 N/A HIS 13.A NE2 THR 89.A O no hydrogen 2.367 N/A ARG 14.A NE ASP 33.A OD1 no hydrogen 2.915 N/A ARG 14.A NE ASP 33.A OD2 no hydrogen 3.167 N/A ARG 14.A NH2 ASP 33.A OD1 no hydrogen 3.331 N/A THR 21.A OG1 HIS 17.A O no hydrogen 2.563 N/A THR 21.A OG1 ASN 23.A O no hydrogen 2.934 N/A CYS 25.A SG HIS 17.A NE2 no hydrogen 3.727 N/A VAL 26.A N THR 174.A O no hydrogen 3.300 N/A CYS 28.A SG PRO 29.A O no hydrogen 3.735 N/A CYS 28.A SG GLN 41.A OE1 no hydrogen 3.937 N/A CYS 28.A SG SER 42.A OG no hydrogen 2.580 N/A GLY 31.A N SER 39.A OG no hydrogen 2.507 N/A SER 34.A N GLY 31.A O no hydrogen 2.987 N/A SER 34.A OG GLY 31.A O no hydrogen 2.831 N/A SER 34.A OG SER 39.A OG no hydrogen 2.881 N/A PHE 36.A N SER 34.A OG no hydrogen 3.177 N/A SER 39.A OG SER 34.A OG no hydrogen 2.881 N/A SER 39.A OG PHE 36.A O no hydrogen 3.120 N/A THR 40.A OG1 GLN 41.A O no hydrogen 3.408 N/A GLN 41.A N THR 40.A OG1 no hydrogen 2.390 N/A SER 42.A N PRO 29.A O no hydrogen 2.978 N/A TYR 46.A N GLU 47.A OE1 no hydrogen 3.275 N/A GLU 47.A N GLU 47.A OE1 no hydrogen 2.609 N/A SER 50.A N GLU 47.A O no hydrogen 2.588 N/A SER 50.A OG GLU 47.A O no hydrogen 2.557 N/A ARG 52.A N PRO 48.A O no hydrogen 2.996 N/A ARG 52.A NH2 ALA 7.A O no hydrogen 3.387 N/A ALA 53.A N THR 49.A O no hydrogen 2.874 N/A ILE 54.A N SER 50.A O no hydrogen 2.915 N/A ARG 55.A N MET 51.A O no hydrogen 2.903 N/A ALA 56.A N ALA 53.A O no hydrogen 3.116 N/A ARG 57.A N ILE 54.A O no hydrogen 2.758 N/A TYR 58.A N ALA 53.A O no hydrogen 3.142 N/A TYR 58.A OH TYR 38.A O no hydrogen 3.044 N/A LEU 62.A N ASP 59.A OD1 no hydrogen 2.378 N/A GLN 63.A N ASP 59.A O no hydrogen 3.138 N/A THR 64.A N PRO 60.A O no hydrogen 2.976 N/A THR 64.A OG1 PRO 60.A O no hydrogen 2.939 N/A ARG 65.A N PHE 61.A O no hydrogen 2.965 N/A ARG 65.A NH2 GLU 69.A OE2 no hydrogen 2.954 N/A HIS 66.A N LEU 62.A O no hydrogen 2.886 N/A ARG 67.A N GLN 63.A O no hydrogen 2.989 N/A ILE 68.A N THR 64.A O no hydrogen 2.943 N/A GLU 69.A N ARG 65.A O no hydrogen 2.911 N/A GLN 70.A N HIS 66.A O no hydrogen 2.947 N/A LEU 71.A N ARG 67.A O no hydrogen 2.964 N/A LYS 72.A N ILE 68.A O no hydrogen 2.887 N/A GLN 73.A N GLU 69.A O no hydrogen 2.914 N/A HIS 76.A N LEU 74.A O no hydrogen 2.703 N/A VAL 81.A N LYS 130.A O no hydrogen 3.385 N/A GLU 82.A N ALA 4.A O no hydrogen 2.907 N/A PHE 83.A N GLY 133.A O no hydrogen 3.319 N/A ILE 84.A N VAL 6.A O no hydrogen 2.913 N/A VAL 85.A N THR 135.A O no hydrogen 3.170 N/A MET 86.A N VAL 8.A O no hydrogen 2.926 N/A LEU 93.A N PHE 90.A O no hydrogen 3.459 N/A TYR 97.A N PRO 94.A O no hydrogen 3.150 N/A ARG 98.A NE TYR 154.A OH no hydrogen 3.457 N/A ASP 99.A N GLU 95.A O no hydrogen 2.959 N/A TYR 100.A N GLU 96.A O no hydrogen 2.930 N/A PHE 101.A N TYR 97.A O no hydrogen 2.897 N/A ILE 102.A N ARG 98.A O no hydrogen 3.009 N/A ARG 103.A N ASP 99.A O no hydrogen 2.966 N/A ASN 104.A N TYR 100.A O no hydrogen 2.950 N/A LEU 105.A N PHE 101.A O no hydrogen 2.980 N/A HIS 106.A N ILE 102.A O no hydrogen 2.998 N/A ASP 107.A N ARG 103.A O no hydrogen 2.922 N/A ALA 108.A N ASN 104.A O no hydrogen 2.842 N/A LEU 109.A N LEU 105.A O no hydrogen 3.004 N/A SER 110.A N HIS 106.A O no hydrogen 2.898 N/A GLY 111.A N ASP 107.A O no hydrogen 2.677 N/A SER 114.A N ASP 107.A OD2 no hydrogen 2.520 N/A SER 114.A OG ASP 107.A OD1 no hydrogen 3.143 N/A SER 114.A OG ASP 107.A OD2 no hydrogen 3.366 N/A SER 114.A OG HIS 112.A ND1 no hydrogen 2.770 N/A GLU 119.A N GLU 119.A OE1 no hydrogen 2.576 N/A ALA 120.A N ASN 116.A O no hydrogen 3.383 N/A VAL 121.A N ILE 117.A O no hydrogen 2.938 N/A LYS 122.A N TYR 118.A O no hydrogen 2.900 N/A TYR 123.A N GLU 119.A O no hydrogen 2.940 N/A SER 124.A N ALA 120.A O no hydrogen 2.881 N/A GLU 125.A N VAL 121.A O no hydrogen 2.946 N/A ARG 126.A N TYR 123.A O no hydrogen 2.921 N/A SER 127.A N SER 124.A O no hydrogen 3.175 N/A SER 127.A OG SER 124.A O no hydrogen 2.968 N/A SER 127.A OG THR 129.A O no hydrogen 2.603 N/A LYS 130.A N ASP 79.A O no hydrogen 3.078 N/A CYS 131.A SG GLY 133.A O no hydrogen 3.487 N/A ILE 132.A N VAL 81.A O no hydrogen 3.144 N/A THR 135.A N PHE 83.A O no hydrogen 3.242 N/A THR 135.A OG1 PHE 83.A O no hydrogen 3.522 N/A ILE 136.A N ARG 158.A O no hydrogen 3.439 N/A THR 138.A OG1 GLU 137.A O no hydrogen 2.674 N/A ARG 139.A NH1 ASP 141.A OD1 no hydrogen 2.978 N/A ARG 139.A NH2 ARG 176.A O no hydrogen 2.596 N/A TYR 142.A N ARG 139.A O no hydrogen 2.971 N/A LEU 148.A N MET 144.A O no hydrogen 3.079 N/A SER 149.A N LYS 145.A O no hydrogen 2.925 N/A ASP 150.A N ARG 146.A O no hydrogen 2.953 N/A MET 151.A N HIS 147.A O no hydrogen 2.907 N/A LEU 152.A N LEU 148.A O no hydrogen 2.903 N/A THR 153.A N SER 149.A O no hydrogen 2.942 N/A THR 153.A OG1 SER 149.A O no hydrogen 3.235 N/A TYR 154.A N ASP 150.A O no hydrogen 2.997 N/A TYR 154.A OH GLU 95.A OE2 no hydrogen 3.104 N/A GLY 155.A N LEU 152.A O no hydrogen 3.156 N/A CYS 156.A SG ILE 134.A O no hydrogen 3.095 N/A CYS 156.A SG ARG 158.A O no hydrogen 3.737 N/A THR 157.A N ILE 134.A O no hydrogen 2.905 N/A TYR 167.A OH ARG 212.A O no hydrogen 2.798 N/A TYR 167.A OH GLU 215.A OE1 no hydrogen 2.961 N/A VAL 170.A N ASP 169.A OD1 no hydrogen 2.658 N/A ARG 172.A N GLU 168.A O no hydrogen 2.922 N/A ASP 173.A N ASP 169.A O no hydrogen 2.900 N/A THR 174.A N ALA 171.A O no hydrogen 3.317 N/A THR 174.A OG1 VAL 170.A O no hydrogen 2.800 N/A THR 174.A OG1 ALA 171.A O no hydrogen 3.296 N/A ARG 176.A N ALA 171.A O no hydrogen 3.368 N/A ARG 176.A NE HIS 178.A NE2 no hydrogen 3.167 N/A HIS 178.A ND1 THR 179.A O no hydrogen 3.133 N/A VAL 183.A N THR 179.A O no hydrogen 3.373 N/A CYS 184.A N VAL 180.A O no hydrogen 2.956 N/A CYS 184.A SG VAL 180.A O no hydrogen 3.898 N/A GLU 185.A N LYS 181.A O no hydrogen 2.934 N/A SER 186.A N ALA 182.A O no hydrogen 2.882 N/A PHE 187.A N VAL 183.A O no hydrogen 2.942 N/A HIS 188.A N CYS 184.A O no hydrogen 2.930 N/A LEU 189.A N GLU 185.A O no hydrogen 2.945 N/A ALA 190.A N SER 186.A O no hydrogen 2.896 N/A LYS 191.A N PHE 187.A O no hydrogen 2.885 N/A LYS 191.A NZ ASN 336.A OD1 no hydrogen 3.531 N/A ASP 192.A N HIS 188.A O no hydrogen 2.995 N/A SER 193.A N LEU 189.A O no hydrogen 2.876 N/A SER 193.A N ALA 190.A O no hydrogen 3.009 N/A GLY 194.A N ALA 190.A O no hydrogen 3.108 N/A PHE 195.A N ALA 190.A O no hydrogen 3.446 N/A LYS 196.A NZ TYR 279.A OH no hydrogen 2.936 N/A VAL 198.A N LEU 159.A O no hydrogen 3.405 N/A ALA 199.A N GLY 230.A O no hydrogen 2.973 N/A HIS 200.A NE2 GLU 160.A OE1 no hydrogen 2.814 N/A MET 201.A N LYS 232.A O no hydrogen 3.208 N/A ASP 213.A N GLY 209.A O no hydrogen 2.838 N/A ILE 214.A N LEU 210.A O no hydrogen 2.976 N/A GLU 215.A N GLU 211.A O no hydrogen 2.949 N/A GLN 216.A N ARG 212.A O no hydrogen 2.866 N/A PHE 217.A N ASP 213.A O no hydrogen 2.972 N/A THR 218.A N ILE 214.A O no hydrogen 2.981 N/A THR 218.A OG1 ILE 214.A O no hydrogen 2.798 N/A GLU 219.A N GLU 215.A O no hydrogen 2.928 N/A PHE 220.A N GLN 216.A O no hydrogen 2.838 N/A PHE 221.A N PHE 217.A O no hydrogen 2.986 N/A GLU 222.A N GLU 219.A O no hydrogen 2.956 N/A ASN 223.A N GLU 219.A O no hydrogen 2.505 N/A ASN 223.A ND2 GLU 219.A OE2 no hydrogen 3.174 N/A ALA 225.A N ASN 223.A OD1 no hydrogen 3.394 N/A PHE 226.A N ASN 223.A O no hydrogen 3.346 N/A ARG 227.A NH1 VAL 334.A O no hydrogen 2.759 N/A LEU 231.A N ARG 277.A O no hydrogen 2.753 N/A LYS 232.A N ALA 199.A O no hydrogen 3.209 N/A LYS 232.A NZ GLU 160.A OE1 no hydrogen 3.260 N/A LEU 233.A N ARG 280.A O no hydrogen 2.805 N/A TYR 234.A N MET 201.A O no hydrogen 2.967 N/A VAL 238.A N SER 292.A O no hydrogen 2.860 N/A THR 242.A OG1 ILE 239.A O no hydrogen 3.092 N/A LEU 244.A N VAL 26.A O no hydrogen 2.818 N/A TYR 245.A N THR 242.A OG1 no hydrogen 3.342 N/A GLU 246.A N THR 242.A O no hydrogen 3.263 N/A LEU 247.A N GLY 243.A O no hydrogen 2.925 N/A TRP 248.A N LEU 244.A O no hydrogen 2.896 N/A LYS 249.A N TYR 245.A O no hydrogen 2.897 N/A SER 250.A N GLU 246.A O no hydrogen 2.939 N/A GLY 251.A N TRP 248.A O no hydrogen 3.122 N/A ARG 252.A N LEU 247.A O no hydrogen 3.368 N/A TYR 253.A OH ASP 204.A O no hydrogen 2.425 N/A LYS 254.A NZ TYR 253.A O no hydrogen 3.394 N/A TYR 256.A OH VAL 208.A O no hydrogen 2.585 N/A TYR 256.A OH ASP 213.A OD2 no hydrogen 2.984 N/A SER 257.A OG ASP 260.A OD2 no hydrogen 3.212 N/A LEU 261.A N SER 257.A O no hydrogen 2.744 N/A VAL 262.A N PRO 258.A O no hydrogen 2.920 N/A GLU 263.A N SER 259.A O no hydrogen 2.934 N/A LEU 264.A N ASP 260.A O no hydrogen 2.900 N/A VAL 265.A N LEU 261.A O no hydrogen 2.935 N/A ALA 266.A N VAL 262.A O no hydrogen 2.909 N/A ARG 267.A N GLU 263.A O no hydrogen 2.948 N/A ARG 267.A NH1 GLU 263.A OE2 no hydrogen 3.354 N/A ILE 268.A N LEU 264.A O no hydrogen 2.964 N/A LEU 269.A N VAL 265.A O no hydrogen 2.906 N/A ALA 270.A N ALA 266.A O no hydrogen 2.936 N/A LEU 271.A N ARG 267.A O no hydrogen 2.964 N/A LEU 271.A N ILE 268.A O no hydrogen 3.186 N/A VAL 272.A N LEU 269.A O no hydrogen 3.264 N/A THR 276.A N PRO 273.A O no hydrogen 3.427 N/A THR 276.A OG1 PRO 228.A O no hydrogen 3.283 N/A ARG 277.A N ASP 229.A O no hydrogen 3.259 N/A ARG 277.A NH1 GLU 321.A OE2 no hydrogen 3.330 N/A TYR 279.A N LEU 231.A O no hydrogen 2.984 N/A ARG 280.A NE GLN 282.A O no hydrogen 2.814 N/A ARG 280.A NH2 GLN 282.A O no hydrogen 3.385 N/A GLN 282.A NE2 GLY 297.A O no hydrogen 2.887 N/A VAL 290.A N MET 287.A O no hydrogen 3.225 N/A SER 291.A N VAL 238.A O no hydrogen 3.021 N/A LEU 299.A N GLY 297.A O no hydrogen 2.788 N/A ALA 303.A N LEU 299.A O no hydrogen 3.151 N/A LEU 304.A N ARG 300.A O no hydrogen 2.930 N/A ALA 305.A N GLU 301.A O no hydrogen 2.904 N/A ARG 306.A N LEU 302.A O no hydrogen 2.923 N/A MET 307.A N ALA 303.A O no hydrogen 2.907 N/A LYS 308.A N LEU 304.A O no hydrogen 2.913 N/A ASP 309.A N ALA 305.A O no hydrogen 2.913 N/A LEU 310.A N ARG 306.A O no hydrogen 2.904 N/A GLY 311.A N LYS 308.A O no hydrogen 3.451 N/A ARG 318.A NE VAL 278.A O no hydrogen 3.250 N/A THR 319.A N ASP 316.A OD1 no hydrogen 3.396 N/A THR 319.A OG1 ASP 316.A OD1 no hydrogen 2.952 N/A ARG 320.A N ASP 316.A O no hydrogen 3.387 N/A GLU 321.A N ARG 318.A O no hydrogen 3.433 N/A GLU 327.A N GLU 346.A O no hydrogen 2.911 N/A VAL 329.A N SER 344.A O no hydrogen 2.889 N/A ARG 330.A NE ASP 332.A OD1 no hydrogen 2.932 N/A ARG 330.A NE ASP 332.A OD2 no hydrogen 3.233 N/A ARG 330.A NH1 GLU 405.A OE2 no hydrogen 2.371 N/A ARG 330.A NH2 ASP 332.A OD2 no hydrogen 2.954 N/A ARG 330.A NH2 GLU 405.A OE1 no hydrogen 2.428 N/A ARG 330.A NH2 GLU 405.A OE2 no hydrogen 3.088 N/A ARG 331.A NH2 GLU 346.A OE2 no hydrogen 3.332 N/A TYR 333.A N GLU 340.A O no hydrogen 2.967 N/A ALA 335.A N GLY 338.A O no hydrogen 2.911 N/A ASN 336.A N PRO 224.A O no hydrogen 3.022 N/A GLY 338.A N ALA 335.A O no hydrogen 2.894 N/A GLU 340.A N TYR 333.A O no hydrogen 2.894 N/A THR 341.A N LEU 359.A O no hydrogen 3.418 N/A THR 341.A OG1 ASP 332.A OD2 no hydrogen 3.077 N/A PHE 342.A N ARG 331.A O no hydrogen 2.874 N/A SER 344.A N VAL 329.A O no hydrogen 2.936 N/A SER 344.A OG TYR 345.A O no hydrogen 3.434 N/A SER 344.A OG GLY 355.A O no hydrogen 3.086 N/A TYR 345.A N GLY 355.A O no hydrogen 2.905 N/A GLU 346.A N GLU 327.A O no hydrogen 2.937 N/A ASP 347.A N ILE 352.A O no hydrogen 3.229 N/A GLN 350.A N ASP 347.A OD2 no hydrogen 3.153 N/A ASP 351.A N PRO 348.A O no hydrogen 2.894 N/A ILE 352.A N ASP 347.A O no hydrogen 3.376 N/A ILE 354.A N TYR 345.A O no hydrogen 3.412 N/A LEU 356.A N HIS 382.A O no hydrogen 3.321 N/A LEU 357.A N LEU 343.A O no hydrogen 3.066 N/A ARG 358.A NH2 TRP 275.A O no hydrogen 3.222 N/A LEU 359.A N THR 341.A O no hydrogen 3.276 N/A ARG 360.A N ILE 377.A O no hydrogen 3.323 N/A ARG 360.A NE ASP 192.A OD1 no hydrogen 3.357 N/A ARG 360.A NH1 ALA 335.A O no hydrogen 3.494 N/A ARG 360.A NH1 GLU 340.A OE2 no hydrogen 2.407 N/A ARG 360.A NH2 ASP 192.A OD1 no hydrogen 3.024 N/A LYS 361.A N TRP 339.A O no hydrogen 3.444 N/A LYS 361.A NZ HIS 406.A O no hydrogen 3.059 N/A CYS 362.A SG VAL 375.A O no hydrogen 3.054 N/A CYS 362.A SG SER 376.A O no hydrogen 3.888 N/A SER 363.A N ASP 192.A OD1 no hydrogen 3.257 N/A SER 363.A OG ASP 192.A OD1 no hydrogen 3.304 N/A SER 363.A OG GLY 337.A O no hydrogen 2.940 N/A ARG 368.A NE GLU 370.A OE1 no hydrogen 3.444 N/A ARG 368.A NH2 GLU 370.A OE1 no hydrogen 3.544 N/A ARG 368.A NH2 GLU 370.A OE2 no hydrogen 3.515 N/A GLU 370.A N GLU 370.A OE1 no hydrogen 2.879 N/A LEU 371.A N ARG 368.A O no hydrogen 2.975 N/A SER 376.A N LYS 410.A O no hydrogen 2.949 N/A SER 376.A OG SER 408.A OG no hydrogen 3.003 N/A VAL 378.A N ALA 412.A O no hydrogen 2.913 N/A ARG 379.A N ARG 358.A O no hydrogen 2.869 N/A ARG 379.A NH2 GLU 340.A OE1 no hydrogen 2.574 N/A TYR 384.A OH LEU 353.A O no hydrogen 2.813 N/A SER 386.A OG VAL 387.A O no hydrogen 3.389 N/A LEU 394.A N PHE 390.A O no hydrogen 2.911 N/A MET 395.A N GLY 391.A O no hydrogen 2.939 N/A GLU 396.A N MET 392.A O no hydrogen 2.921 N/A GLU 397.A N LEU 393.A O no hydrogen 2.936 N/A ALA 398.A N LEU 394.A O no hydrogen 2.899 N/A GLU 399.A N MET 395.A O no hydrogen 2.940 N/A ARG 400.A N GLU 396.A O no hydrogen 2.930 N/A ARG 400.A NE GLU 397.A OE1 no hydrogen 2.346 N/A ARG 400.A NH2 GLU 397.A OE2 no hydrogen 3.555 N/A ILE 401.A N GLU 397.A O no hydrogen 2.954 N/A ALA 402.A N ALA 398.A O no hydrogen 2.914 N/A ARG 403.A N GLU 399.A O no hydrogen 2.932 N/A GLU 404.A N ARG 400.A O no hydrogen 2.921 N/A GLU 405.A N ILE 401.A O no hydrogen 2.942 N/A HIS 406.A N ILE 401.A O no hydrogen 3.305 N/A SER 408.A N ALA 402.A O no hydrogen 3.383 N/A SER 408.A OG GLY 374.A O no hydrogen 2.627 N/A SER 408.A OG SER 376.A OG no hydrogen 3.003 N/A LYS 410.A NZ GLU 370.A O no hydrogen 3.191 N/A ILE 411.A N LYS 437.A O no hydrogen 3.238 N/A VAL 413.A N MET 435.A O no hydrogen 2.866 N/A GLY 416.A N THR 419.A OG1 no hydrogen 2.588 N/A VAL 417.A N CYS 131.A O no hydrogen 3.251 N/A ARG 420.A N VAL 417.A O no hydrogen 2.965 N/A TYR 422.A N GLY 418.A O no hydrogen 3.002 N/A TYR 423.A N THR 419.A O no hydrogen 2.904 N/A ARG 424.A N ARG 420.A O no hydrogen 2.900 N/A ARG 424.A NH2 GLU 125.A OE2 no hydrogen 3.133 N/A LYS 425.A N ASN 421.A O no hydrogen 2.939 N/A ILE 426.A N TYR 423.A O no hydrogen 3.266 N/A GLY 427.A N ARG 424.A O no hydrogen 3.141 N/A TYR 428.A OH GLU 399.A OE2 no hydrogen 3.291 N/A ARG 429.A N VAL 436.A O no hydrogen 2.960 N/A GLN 431.A N TYR 434.A O no hydrogen 2.950 N/A TYR 434.A N GLN 431.A O no hydrogen 2.906 N/A TYR 434.A OH SER 193.A O no hydrogen 2.789 N/A MET 435.A N VAL 413.A O no hydrogen 2.912 N/A VAL 436.A N ARG 429.A O no hydrogen 2.827 N/A LYS 437.A N ILE 411.A O no hydrogen 2.982 N/A