Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pn1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ALA 3.A O no hydrogen 3.155 N/A CYS 16.A SG GLN 14.A OE1 no hydrogen 3.339 N/A GLU 19.A N HIS 15.A O no hydrogen 2.962 N/A GLY 20.A N CYS 16.A O no hydrogen 2.858 N/A ARG 21.A N ALA 17.A O no hydrogen 2.904 N/A ARG 21.A NH1 GLY 227.A O no hydrogen 3.039 N/A ALA 22.A N ALA 18.A O no hydrogen 2.949 N/A ASN 23.A N GLU 19.A O no hydrogen 2.909 N/A TYR 24.A N GLY 20.A O no hydrogen 2.841 N/A PHE 25.A N ARG 21.A O no hydrogen 2.968 N/A GLY 26.A N ALA 22.A O no hydrogen 2.896 N/A ASN 27.A N ASN 23.A O no hydrogen 2.920 N/A ASN 27.A ND2 ASN 23.A OD1 no hydrogen 3.001 N/A LEU 28.A N TYR 24.A O no hydrogen 2.909 N/A GLN 29.A N PHE 25.A O no hydrogen 2.924 N/A LYS 30.A N GLY 26.A O no hydrogen 2.914 N/A GLY 31.A N ASN 27.A O no hydrogen 3.091 N/A GLY 38.A N HIS 36.A O no hydrogen 2.643 N/A GLN 45.A N LYS 42.A O no hydrogen 3.374 N/A ASN 47.A N ASP 51.A OD2 no hydrogen 3.337 N/A SER 48.A OG ASP 51.A OD2 no hydrogen 3.188 N/A MET 53.A N LEU 49.A O no hydrogen 2.932 N/A THR 54.A N LEU 50.A O no hydrogen 2.918 N/A ILE 55.A N ASP 51.A O no hydrogen 2.938 N/A ARG 56.A N LEU 52.A O no hydrogen 2.920 N/A ARG 56.A NH1 THR 70.A OG1 no hydrogen 3.003 N/A ARG 56.A NH2 ALA 300.A O no hydrogen 3.445 N/A ALA 57.A N MET 53.A O no hydrogen 2.918 N/A PHE 58.A N THR 54.A O no hydrogen 2.927 N/A HIS 59.A N ILE 55.A O no hydrogen 3.126 N/A HIS 59.A NE2 GLU 111.A O no hydrogen 2.488 N/A ARG 65.A NH1 ALA 103.A O no hydrogen 3.470 N/A SER 67.A OG LEU 63.A O no hydrogen 2.506 N/A SER 67.A OG PHE 66.A O no hydrogen 2.631 N/A LEU 68.A N PHE 90.A O no hydrogen 2.937 N/A ALA 71.A N LEU 88.A O no hydrogen 2.920 N/A GLY 73.A N ALA 86.A O no hydrogen 2.960 N/A ARG 75.A N ILE 84.A O no hydrogen 3.318 N/A ARG 77.A N ASP 80.A O no hydrogen 3.104 N/A ASP 80.A N ARG 77.A O no hydrogen 3.150 N/A THR 82.A N ARG 75.A O no hydrogen 2.979 N/A THR 82.A OG1 ARG 75.A O no hydrogen 2.305 N/A ALA 86.A N GLY 73.A O no hydrogen 2.888 N/A ILE 87.A N ASP 119.A O no hydrogen 3.482 N/A LEU 88.A N ALA 71.A O no hydrogen 2.882 N/A VAL 89.A N ASP 121.A O no hydrogen 3.058 N/A PHE 90.A N GLY 69.A O no hydrogen 2.942 N/A VAL 91.A N VAL 123.A O no hydrogen 3.015 N/A LYS 98.A N HIS 96.A ND1 no hydrogen 3.098 N/A GLN 104.A N ASN 101.A O no hydrogen 3.207 N/A GLN 104.A N ASN 101.A OD1 no hydrogen 3.377 N/A CYS 105.A N ASN 101.A O no hydrogen 3.419 N/A CYS 105.A SG LEU 106.A O no hydrogen 3.804 N/A LEU 110.A N CYS 118.A O no hydrogen 2.930 N/A GLY 112.A N VAL 116.A O no hydrogen 2.845 N/A GLY 115.A N GLY 112.A O no hydrogen 3.241 N/A TRP 117.A NE1 PRO 41.A O no hydrogen 2.992 N/A CYS 118.A N LEU 110.A O no hydrogen 2.902 N/A CYS 118.A SG ASP 119.A O no hydrogen 3.891 N/A ASP 121.A N ILE 87.A O no hydrogen 3.105 N/A VAL 123.A N VAL 89.A O no hydrogen 3.050 N/A PHE 125.A N VAL 91.A O no hydrogen 3.205 N/A TYR 127.A OH LEU 68.A O no hydrogen 2.382 N/A TYR 128.A N SER 126.A OG no hydrogen 3.242 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.697 N/A LYS 137.A N GLU 133.A O no hydrogen 2.917 N/A LEU 138.A N LEU 134.A O no hydrogen 2.931 N/A CYS 139.A N ASP 136.A O no hydrogen 3.286 N/A CYS 139.A SG VAL 135.A O no hydrogen 3.444 N/A CYS 139.A SG GLN 150.A OE1 no hydrogen 3.830 N/A SER 141.A OG ASP 136.A O no hydrogen 3.420 N/A GLU 143.A N ASP 142.A OD1 no hydrogen 2.692 N/A CYS 144.A SG ASP 142.A OD2 no hydrogen 3.546 N/A ILE 145.A N THR 251.A O no hydrogen 3.039 N/A SER 149.A N GLY 146.A O no hydrogen 3.299 N/A SER 149.A OG GLY 146.A O no hydrogen 3.303 N/A GLN 150.A NE2 PRO 195.A O no hydrogen 3.231 N/A VAL 151.A N GLY 158.A O no hydrogen 2.920 N/A ALA 152.A N PHE 193.A O no hydrogen 3.130 N/A SER 153.A N THR 156.A O no hydrogen 3.221 N/A SER 153.A OG THR 156.A OG1 no hydrogen 3.408 N/A THR 156.A OG1 SER 153.A OG no hydrogen 3.408 N/A GLY 158.A N VAL 151.A O no hydrogen 2.884 N/A LEU 160.A N SER 149.A O no hydrogen 3.035 N/A ALA 162.A N LEU 176.A O no hydrogen 3.023 N/A VAL 164.A N GLY 174.A O no hydrogen 2.910 N/A LYS 165.A N ASP 388.A O no hydrogen 2.897 N/A ARG 166.A N GLN 172.A O no hydrogen 3.040 N/A ARG 166.A NH1 THR 168.A O no hydrogen 3.105 N/A ARG 166.A NH1 ASN 170.A OD1 no hydrogen 2.976 N/A ARG 167.A NE ASP 388.A OD1 no hydrogen 2.867 N/A ARG 167.A NH2 ASP 383.A OD1 no hydrogen 3.413 N/A ARG 167.A NH2 LEU 387.A O no hydrogen 3.532 N/A ARG 167.A NH2 ASP 388.A OD1 no hydrogen 3.253 N/A ASN 170.A N ASN 170.A OD1 no hydrogen 2.554 N/A ASN 170.A ND2 GLN 172.A OE1 no hydrogen 3.247 N/A LYS 171.A NZ GLY 169.A O no hydrogen 3.216 N/A GLY 174.A N VAL 164.A O no hydrogen 2.929 N/A PHE 175.A N ILE 241.A O no hydrogen 2.891 N/A LEU 176.A N ALA 162.A O no hydrogen 2.886 N/A THR 177.A N ALA 239.A O no hydrogen 2.970 N/A THR 177.A OG1 THR 159.A O no hydrogen 3.274 N/A ASN 178.A N THR 177.A OG1 no hydrogen 2.646 N/A ASN 178.A ND2 TRP 352.A O no hydrogen 2.842 N/A HIS 179.A N ASP 237.A OD1 no hydrogen 3.080 N/A HIS 179.A ND1 ASP 237.A OD1 no hydrogen 2.462 N/A ASN 189.A N ASP 184.A OD2 no hydrogen 2.468 N/A ASN 189.A ND2 GLU 155.A OE1 no hydrogen 2.248 N/A GLN 190.A NE2 VAL 209.A O no hydrogen 3.033 N/A MET 192.A N GLY 207.A O no hydrogen 2.986 N/A PHE 193.A N ALA 152.A O no hydrogen 3.172 N/A HIS 194.A N VAL 204.A O no hydrogen 2.942 N/A HIS 194.A ND1 GLN 150.A O no hydrogen 2.652 N/A LEU 200.A N PRO 197.A O no hydrogen 3.045 N/A GLY 201.A N PRO 197.A O no hydrogen 3.279 N/A VAL 204.A N HIS 194.A O no hydrogen 2.864 N/A LEU 206.A N MET 192.A O no hydrogen 2.928 N/A VAL 209.A N GLN 190.A O no hydrogen 3.252 N/A GLU 210.A N PHE 240.A O no hydrogen 3.146 N/A ARG 211.A N PHE 240.A O no hydrogen 3.092 N/A ARG 211.A NH1 LEU 385.A O no hydrogen 3.331 N/A ARG 211.A NH1 GLU 386.A OE1 no hydrogen 3.498 N/A THR 213.A N GLY 238.A O no hydrogen 2.930 N/A ILE 216.A N VAL 234.A O no hydrogen 2.976 N/A THR 217.A OG1 ASN 12.A OD1 no hydrogen 2.405 N/A ASP 218.A N ASP 218.A OD1 no hydrogen 2.506 N/A VAL 220.A N THR 217.A O no hydrogen 3.214 N/A TRP 221.A N THR 217.A O no hydrogen 3.249 N/A TYR 222.A N ASP 218.A O no hydrogen 2.944 N/A ASN 229.A ND2 GLY 308.A O no hydrogen 3.311 N/A GLU 231.A N ASN 229.A OD1 no hydrogen 3.132 N/A THR 232.A OG1 ASP 218.A OD1 no hydrogen 2.404 N/A PHE 233.A N CYS 310.A O no hydrogen 3.343 N/A VAL 234.A N ILE 216.A O no hydrogen 2.867 N/A ALA 236.A N SER 214.A O no hydrogen 2.720 N/A GLY 238.A N THR 213.A O no hydrogen 2.978 N/A ALA 239.A N THR 177.A O no hydrogen 2.905 N/A PHE 240.A N ARG 211.A O no hydrogen 2.871 N/A ILE 241.A N PHE 175.A O no hydrogen 3.006 N/A PHE 243.A N VAL 173.A O no hydrogen 2.951 N/A ALA 244.A N LEU 206.A O no hydrogen 3.311 N/A PHE 247.A N ALA 244.A O no hydrogen 3.316 N/A SER 250.A OG ASP 248.A OD1 no hydrogen 3.114 N/A SER 250.A OG ASP 248.A OD2 no hydrogen 3.320 N/A THR 251.A OG1 ASP 248.A O no hydrogen 3.269 N/A THR 253.A N ILE 145.A O no hydrogen 3.106 N/A THR 254.A OG1 ASN 393.A OD1 no hydrogen 2.360 N/A VAL 255.A N THR 253.A OG1 no hydrogen 3.358 N/A VAL 256.A N GLY 260.A O no hydrogen 3.368 N/A ARG 257.A NH1 ASP 142.A OD2 no hydrogen 2.952 N/A ARG 257.A NH2 SER 147.A O no hydrogen 3.430 N/A ARG 257.A NH2 SER 149.A OG no hydrogen 3.227 N/A VAL 259.A N VAL 256.A O no hydrogen 3.205 N/A GLY 260.A N VAL 256.A O no hydrogen 3.060 N/A GLY 263.A N PRO 345.A O no hydrogen 2.878 N/A VAL 265.A N ASP 264.A OD1 no hydrogen 2.744 N/A LYS 266.A N PRO 347.A O no hydrogen 3.519 N/A CYS 272.A SG ASP 269.A OD2 no hydrogen 3.910 N/A SER 276.A N PRO 273.A O no hydrogen 3.413 N/A SER 276.A OG PRO 273.A O no hydrogen 3.053 N/A ILE 278.A N LEU 274.A O no hydrogen 3.411 N/A ARG 280.A NH1 SER 276.A O no hydrogen 3.367 N/A VAL 282.A N GLY 294.A O no hydrogen 2.918 N/A CYS 283.A N ILE 336.A O no hydrogen 2.937 N/A CYS 283.A SG ILE 336.A O no hydrogen 3.943 N/A LYS 284.A N THR 292.A O no hydrogen 2.930 N/A GLY 286.A N GLY 290.A O no hydrogen 2.850 N/A ARG 287.A NH1 GLN 150.A OE1 no hydrogen 3.100 N/A ARG 287.A NH2 GLY 329.A O no hydrogen 3.259 N/A SER 288.A N ASP 330.A OD1 no hydrogen 2.912 N/A GLY 290.A N GLY 286.A O no hydrogen 2.937 N/A THR 292.A N LYS 284.A O no hydrogen 2.982 N/A THR 292.A OG1 PHE 325.A O no hydrogen 3.063 N/A GLY 294.A N VAL 282.A O no hydrogen 2.909 N/A THR 295.A N VAL 318.A O no hydrogen 2.928 N/A VAL 296.A N ARG 280.A O no hydrogen 3.308 N/A MET 297.A N LEU 316.A O no hydrogen 2.890 N/A ALA 298.A N LEU 316.A O no hydrogen 3.220 N/A ALA 300.A N ASP 314.A O no hydrogen 2.908 N/A LEU 301.A N THR 313.A O no hydrogen 2.933 N/A GLU 302.A N THR 70.A O no hydrogen 3.363 N/A TYR 303.A N PHE 311.A O no hydrogen 2.946 N/A ASP 305.A N ILE 309.A O no hydrogen 3.065 N/A GLU 306.A N GLU 306.A OE1 no hydrogen 2.699 N/A ILE 309.A N ASP 305.A OD1 no hydrogen 2.715 N/A CYS 310.A SG GLU 302.A OE2 no hydrogen 3.541 N/A CYS 310.A SG TYR 303.A O no hydrogen 3.520 N/A CYS 310.A SG PHE 311.A O no hydrogen 4.006 N/A PHE 311.A N TYR 303.A O no hydrogen 2.862 N/A THR 313.A N LEU 301.A O no hydrogen 2.901 N/A ILE 315.A N GLY 375.A O no hydrogen 2.952 N/A LEU 316.A N ALA 298.A O no hydrogen 3.061 N/A VAL 317.A N THR 373.A O no hydrogen 2.933 N/A VAL 318.A N THR 295.A O no hydrogen 2.910 N/A ARG 322.A NE GLU 370.A OE2 no hydrogen 3.279 N/A ARG 322.A NH2 HIS 367.A ND1 no hydrogen 3.001 N/A GLN 323.A N GLU 320.A O no hydrogen 3.160 N/A GLN 323.A NE2 ASN 321.A O no hydrogen 3.474 N/A THR 324.A OG1 ASP 326.A O no hydrogen 2.876 N/A LEU 327.A N ASP 330.A OD2 no hydrogen 3.213 N/A GLY 332.A N ILE 351.A O no hydrogen 3.314 N/A SER 333.A OG ASP 330.A O no hydrogen 2.764 N/A ILE 335.A N GLY 349.A O no hydrogen 2.944 N/A ILE 336.A N CYS 283.A O no hydrogen 3.126 N/A LEU 337.A N ARG 346.A O no hydrogen 2.930 N/A THR 338.A N GLN 281.A O no hydrogen 3.381 N/A THR 338.A OG1 GLN 281.A O no hydrogen 3.550 N/A SER 339.A OG GLU 343.A O no hydrogen 2.301 N/A SER 339.A OG GLU 343.A OE2 no hydrogen 3.431 N/A GLU 343.A N ASP 341.A O no hydrogen 3.097 N/A ARG 346.A NE ASP 264.A O no hydrogen 3.080 N/A ARG 346.A NH2 VAL 265.A O no hydrogen 3.408 N/A ILE 348.A N ILE 335.A O no hydrogen 2.880 N/A GLY 349.A N ILE 335.A O no hydrogen 3.215 N/A ILE 350.A N VAL 376.A O no hydrogen 2.961 N/A ILE 351.A N SER 333.A O no hydrogen 3.131 N/A ARG 360.A NE ASN 371.A OD1 no hydrogen 2.880 N/A LEU 361.A N GLU 370.A O no hydrogen 2.904 N/A LYS 362.A NZ THR 364.A O no hydrogen 3.070 N/A GLU 370.A N LEU 361.A O no hydrogen 2.913 N/A TRP 372.A N GLY 359.A O no hydrogen 3.000 N/A THR 373.A N VAL 317.A O no hydrogen 2.931 N/A THR 373.A OG1 ASP 326.A OD1 no hydrogen 2.991 N/A GLY 375.A N ILE 315.A O no hydrogen 2.916 N/A VAL 376.A N ILE 350.A O no hydrogen 2.889 N/A LEU 378.A N ASP 377.A OD1 no hydrogen 2.607 N/A ARG 380.A NE TRP 221.A O no hydrogen 3.566 N/A ARG 380.A NH1 ILE 268.A O no hydrogen 3.481 N/A ARG 380.A NH1 ASP 377.A OD2 no hydrogen 3.283 N/A LEU 382.A N LEU 378.A O no hydrogen 2.927 N/A ASP 383.A N GLY 379.A O no hydrogen 2.940 N/A ARG 384.A N ARG 380.A O no hydrogen 2.922 N/A LEU 385.A N LEU 381.A O no hydrogen 2.926 N/A LEU 387.A N LEU 382.A O no hydrogen 3.303 N/A ASP 388.A N LYS 165.A O no hydrogen 2.906 N/A ILE 390.A N ILE 163.A O no hydrogen 3.499 N/A THR 392.A OG1 SER 395.A OG no hydrogen 2.599 N/A SER 395.A OG THR 392.A O no hydrogen 2.621 N/A SER 395.A OG THR 392.A OG1 no hydrogen 2.599 N/A LEU 396.A N THR 392.A O no hydrogen 3.068 N/A GLN 397.A N ASN 393.A O no hydrogen 2.923 N/A ASP 398.A N GLU 394.A O no hydrogen 2.926 N/A ALA 399.A N SER 395.A O no hydrogen 2.897 N/A VAL 400.A N LEU 396.A O no hydrogen 2.929 N/A GLN 401.A N GLN 397.A O no hydrogen 2.951 N/A GLN 402.A N ASP 398.A O no hydrogen 2.906 N/A GLN 403.A N GLN 401.A O no hydrogen 3.011 N/A