Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pdi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N SER 335.A O no hydrogen 3.181 N/A GLY 8.A N PRO 5.A O no hydrogen 3.022 N/A THR 10.A OG1 PRO 5.A O no hydrogen 3.395 N/A ASP 11.A N ALA 9.A O no hydrogen 3.003 N/A SER 15.A OG THR 136.A O no hydrogen 2.665 N/A GLY 18.A N CYS 14.A O no hydrogen 3.114 N/A ALA 19.A N SER 15.A O no hydrogen 2.704 N/A GLN 20.A N PHE 16.A O no hydrogen 2.758 N/A ILE 21.A N ASP 17.A O no hydrogen 2.935 N/A ILE 21.A N GLY 18.A O no hydrogen 3.133 N/A ALA 22.A N ALA 19.A O no hydrogen 2.997 N/A LEU 23.A N ALA 19.A O no hydrogen 3.007 N/A LEU 24.A N GLN 20.A O no hydrogen 3.237 N/A ALA 27.A N ALA 209.A O no hydrogen 3.022 N/A ALA 30.A N ALA 94.A O no hydrogen 3.025 N/A HIS 31.A NE2 LEU 23.A O no hydrogen 2.931 N/A ILE 32.A N PHE 96.A O no hydrogen 2.824 N/A VAL 33.A N MET 61.A O no hydrogen 3.241 N/A HIS 34.A N TYR 98.A O no hydrogen 3.001 N/A HIS 34.A NE2 ALA 75.A O no hydrogen 3.146 N/A CYS 39.A N PRO 36.A O no hydrogen 3.261 N/A CYS 39.A SG PRO 36.A O no hydrogen 3.170 N/A SER 43.A N ALA 40.A O no hydrogen 2.691 N/A SER 43.A OG CYS 39.A O no hydrogen 2.678 N/A SER 43.A OG ALA 40.A O no hydrogen 2.988 N/A ASN 46.A ND2 TRP 44.A O no hydrogen 3.400 N/A ARG 50.A N ASN 182.A O no hydrogen 3.257 N/A ARG 50.A NE THR 49.A O no hydrogen 3.221 N/A ARG 50.A NH2 THR 49.A O no hydrogen 3.514 N/A SER 51.A OG PRO 54.A O no hydrogen 3.050 N/A SER 52.A N ASP 208.A OD1 no hydrogen 3.075 N/A SER 52.A OG ASP 208.A OD1 no hydrogen 2.872 N/A SER 52.A OG ASP 208.A OD2 no hydrogen 2.899 N/A GLY 53.A N SER 51.A OG no hydrogen 3.099 N/A TYR 57.A N ALA 27.A O no hydrogen 3.045 N/A ARG 58.A N ASP 55.A O no hydrogen 2.762 N/A ILE 59.A N LEU 56.A O no hydrogen 2.824 N/A THR 62.A OG1 VAL 33.A O no hydrogen 2.509 N/A THR 63.A N VAL 33.A O no hydrogen 2.993 N/A LEU 65.A N GLY 35.A O no hydrogen 3.324 N/A LEU 65.A N THR 63.A O no hydrogen 3.076 N/A ASP 69.A N THR 66.A OG1 no hydrogen 3.411 N/A VAL 70.A N GLU 67.A O no hydrogen 2.829 N/A ILE 71.A N GLU 67.A O no hydrogen 3.104 N/A ILE 71.A N ASN 68.A O no hydrogen 2.874 N/A GLU 76.A N GLY 73.A O no hydrogen 3.260 N/A ARG 78.A N ARG 74.A O no hydrogen 3.003 N/A ARG 78.A NE ASP 69.A OD1 no hydrogen 2.789 N/A LEU 79.A N ALA 75.A O no hydrogen 3.476 N/A PHE 80.A N GLU 76.A O no hydrogen 3.119 N/A HIS 81.A N LYS 77.A O no hydrogen 3.124 N/A ALA 82.A N ARG 78.A O no hydrogen 2.503 N/A ILE 83.A N LEU 79.A O no hydrogen 2.857 N/A ARG 84.A N PHE 80.A O no hydrogen 3.108 N/A GLN 85.A N HIS 81.A O no hydrogen 2.850 N/A ALA 86.A N ALA 82.A O no hydrogen 3.070 N/A VAL 87.A N ILE 83.A O no hydrogen 2.812 N/A GLU 88.A N ARG 84.A O no hydrogen 3.031 N/A SER 89.A N GLN 85.A O no hydrogen 2.901 N/A SER 89.A OG GLN 85.A O no hydrogen 2.506 N/A SER 89.A OG GLU 88.A OE1 no hydrogen 2.647 N/A TYR 90.A N ALA 86.A O no hydrogen 3.037 N/A SER 91.A N VAL 87.A O no hydrogen 3.014 N/A VAL 95.A N PRO 124.A O no hydrogen 2.980 N/A PHE 96.A N ALA 30.A O no hydrogen 2.684 N/A VAL 97.A N ILE 126.A O no hydrogen 3.020 N/A TYR 98.A N ILE 32.A O no hydrogen 2.951 N/A ASN 99.A N VAL 128.A O no hydrogen 2.886 N/A THR 100.A OG1 HIS 34.A O no hydrogen 2.408 N/A THR 100.A OG1 TYR 98.A O no hydrogen 3.533 N/A ALA 104.A N THR 100.A O no hydrogen 2.855 N/A LEU 105.A N CYS 101.A O no hydrogen 2.969 N/A LEU 105.A N VAL 102.A O no hydrogen 3.116 N/A ILE 106.A N VAL 102.A O no hydrogen 3.229 N/A GLY 107.A N ALA 104.A O no hydrogen 3.328 N/A ASP 108.A N PRO 103.A O no hydrogen 2.880 N/A ASP 109.A N GLU 76.A OE1 no hydrogen 2.920 N/A VAL 113.A N ASP 109.A O no hydrogen 3.274 N/A CYS 114.A N VAL 110.A O no hydrogen 2.863 N/A CYS 114.A SG VAL 110.A O no hydrogen 3.505 N/A LYS 115.A N ASP 111.A O no hydrogen 2.990 N/A LYS 115.A NZ GLU 119.A OE1 no hydrogen 2.375 N/A ALA 116.A N ALA 112.A O no hydrogen 2.876 N/A ALA 117.A N VAL 113.A O no hydrogen 3.188 N/A ALA 118.A N CYS 114.A O no hydrogen 2.816 N/A GLU 119.A N LYS 115.A O no hydrogen 3.202 N/A ARG 120.A N ALA 116.A O no hydrogen 2.969 N/A PHE 121.A N ALA 117.A O no hydrogen 3.176 N/A PHE 121.A N ALA 118.A O no hydrogen 3.219 N/A GLY 122.A N ALA 118.A O no hydrogen 2.495 N/A ILE 126.A N VAL 95.A O no hydrogen 2.805 N/A VAL 128.A N VAL 97.A O no hydrogen 2.694 N/A SER 130.A OG SER 15.A O no hydrogen 3.522 N/A TYR 134.A N ALA 131.A O no hydrogen 3.229 N/A GLY 135.A N GLY 132.A O no hydrogen 3.150 N/A GLY 140.A N THR 136.A O no hydrogen 3.133 N/A ASN 141.A N LYS 137.A O no hydrogen 2.680 N/A ARG 142.A N ASN 138.A O no hydrogen 2.857 N/A ARG 142.A NE ALA 230.A O no hydrogen 2.919 N/A ARG 142.A NH1 ALA 230.A O no hydrogen 2.797 N/A ILE 143.A N LEU 139.A O no hydrogen 2.810 N/A ALA 144.A N GLY 140.A O no hydrogen 2.979 N/A ALA 144.A N ASN 141.A O no hydrogen 3.035 N/A GLY 145.A N ASN 141.A O no hydrogen 3.104 N/A GLU 146.A N ARG 142.A O no hydrogen 3.015 N/A ALA 147.A N ILE 143.A O no hydrogen 3.338 N/A MET 148.A N ALA 144.A O no hydrogen 3.247 N/A LEU 149.A N GLU 146.A O no hydrogen 2.617 N/A LYS 150.A N ALA 147.A O no hydrogen 3.122 N/A TYR 151.A OH TYR 211.A O no hydrogen 1.907 N/A VAL 152.A N MET 148.A O no hydrogen 2.679 N/A THR 155.A OG1 TYR 151.A O no hydrogen 2.856 N/A THR 155.A OG1 ILE 153.A O no hydrogen 3.160 N/A GLY 169.A N ARG 167.A O no hydrogen 2.186 N/A HIS 173.A ND1 GLU 221.A OE1 no hydrogen 2.861 N/A ASP 174.A N GLU 221.A OE2 no hydrogen 3.275 N/A VAL 175.A N ARG 200.A O no hydrogen 2.956 N/A ASN 176.A N VAL 222.A O no hydrogen 3.273 N/A ASN 176.A ND2 CYS 203.A O no hydrogen 3.409 N/A LEU 177.A N CYS 203.A O no hydrogen 3.135 N/A ILE 178.A N MET 224.A O no hydrogen 2.947 N/A ASN 182.A N GLU 180.A OE2 no hydrogen 2.705 N/A ASN 182.A ND2 ARG 50.A O no hydrogen 2.578 N/A GLY 185.A N ASN 182.A O no hydrogen 3.116 N/A GLU 186.A N ILE 183.A O no hydrogen 3.062 N/A PHE 187.A N ASN 182.A OD1 no hydrogen 3.197 N/A TRP 188.A N GLY 185.A O no hydrogen 2.965 N/A HIS 189.A N GLU 186.A O no hydrogen 2.902 N/A VAL 190.A N PHE 187.A O no hydrogen 2.754 N/A LEU 191.A N PHE 187.A O no hydrogen 2.925 N/A LEU 194.A N VAL 190.A O no hydrogen 3.174 N/A ASP 195.A N LEU 191.A O no hydrogen 2.830 N/A GLU 196.A N PRO 192.A O no hydrogen 3.026 N/A LEU 197.A N LEU 193.A O no hydrogen 3.150 N/A GLY 198.A N ASP 195.A O no hydrogen 2.928 N/A LEU 199.A N LEU 194.A O no hydrogen 3.082 N/A ARG 200.A N HIS 173.A O no hydrogen 2.875 N/A ARG 200.A NH1 ASP 174.A OD2 no hydrogen 3.067 N/A ARG 200.A NH2 ASP 159.A O no hydrogen 2.514 N/A LEU 202.A N VAL 175.A O no hydrogen 2.837 N/A LEU 205.A N LEU 177.A O no hydrogen 2.515 N/A ALA 209.A N PRO 25.A O no hydrogen 3.453 N/A ARG 210.A N GLU 213.A OE1 no hydrogen 3.061 N/A ARG 210.A NE ALA 209.A O no hydrogen 3.367 N/A ARG 210.A NH2 ASP 208.A OD1 no hydrogen 2.601 N/A TYR 211.A N ASP 28.A OD1 no hydrogen 3.205 N/A ARG 212.A NH2 ASP 159.A OD1 no hydrogen 3.068 N/A GLU 213.A N ARG 210.A O no hydrogen 2.984 N/A VAL 214.A N TYR 211.A O no hydrogen 2.817 N/A GLN 215.A N TYR 151.A OH no hydrogen 3.318 N/A GLN 215.A NE2 THR 155.A OG1 no hydrogen 3.163 N/A THR 216.A OG1 GLU 213.A O no hydrogen 3.248 N/A HIS 218.A N HIS 218.A ND1 no hydrogen 2.521 N/A HIS 218.A NE2 GLU 157.A OE2 no hydrogen 3.301 N/A ARG 219.A NE GLU 157.A OE1 no hydrogen 2.731 N/A ARG 219.A NE GLU 157.A OE2 no hydrogen 3.369 N/A ALA 220.A N MET 217.A O no hydrogen 3.414 N/A GLU 221.A N ASP 174.A O no hydrogen 2.847 N/A ASN 223.A N PRO 245.A O no hydrogen 2.951 N/A ASN 223.A ND2 ASN 176.A OD1 no hydrogen 3.209 N/A MET 224.A N ASN 176.A O no hydrogen 3.138 N/A MET 225.A N PHE 247.A O no hydrogen 2.768 N/A VAL 226.A N ILE 178.A O no hydrogen 2.929 N/A CYS 227.A N GLY 249.A O no hydrogen 3.099 N/A SER 228.A N VAL 226.A O no hydrogen 2.499 N/A LEU 232.A N LYS 229.A O no hydrogen 3.041 N/A VAL 234.A N MET 231.A O no hydrogen 2.759 N/A ARG 236.A N LEU 232.A O no hydrogen 3.009 N/A LYS 237.A N ASN 233.A O no hydrogen 3.201 N/A LEU 238.A N VAL 234.A O no hydrogen 2.737 N/A GLN 239.A N ALA 235.A O no hydrogen 2.952 N/A GLU 240.A N ARG 236.A O no hydrogen 2.760 N/A THR 241.A N LYS 237.A O no hydrogen 2.928 N/A THR 241.A OG1 LYS 237.A O no hydrogen 3.216 N/A TYR 242.A N LEU 238.A O no hydrogen 2.812 N/A GLY 243.A N GLN 239.A O no hydrogen 2.750 N/A THR 244.A OG1 ALA 220.A O no hydrogen 3.349 N/A PHE 247.A N ASN 223.A O no hydrogen 3.346 N/A GLY 249.A N MET 225.A O no hydrogen 3.138 N/A TYR 252.A N SER 250.A OG no hydrogen 2.732 N/A THR 257.A N GLY 253.A O no hydrogen 3.327 N/A THR 257.A OG1 GLY 253.A O no hydrogen 2.760 N/A SER 258.A N ILE 254.A O no hydrogen 3.110 N/A SER 258.A OG GLU 285.A OE1 no hydrogen 2.561 N/A SER 258.A OG TYR 405.A OH no hydrogen 2.701 N/A GLN 259.A N THR 255.A O no hydrogen 2.748 N/A ALA 260.A N ASP 256.A O no hydrogen 2.492 N/A LEU 261.A N THR 257.A O no hydrogen 2.970 N/A ARG 262.A N SER 258.A O no hydrogen 2.905 N/A ARG 262.A NE GLU 278.A OE1 no hydrogen 3.136 N/A ARG 262.A NH2 GLU 278.A OE1 no hydrogen 3.010 N/A ASP 263.A N GLN 259.A O no hydrogen 2.929 N/A PHE 264.A N ALA 260.A O no hydrogen 3.175 N/A PHE 264.A N LEU 261.A O no hydrogen 3.254 N/A ALA 265.A N LEU 261.A O no hydrogen 3.173 N/A ARG 266.A N ARG 262.A O no hydrogen 3.188 N/A LEU 267.A N PHE 264.A O no hydrogen 3.365 N/A LEU 268.A N PHE 264.A O no hydrogen 3.404 N/A ASP 272.A N ASP 270.A OD2 no hydrogen 2.666 N/A THR 274.A N ASP 270.A O no hydrogen 3.214 N/A THR 274.A OG1 ASP 270.A O no hydrogen 2.704 N/A ALA 275.A N PRO 271.A O no hydrogen 3.011 N/A ARG 276.A N ASP 272.A O no hydrogen 2.962 N/A ARG 276.A NH1 LEU 197.A O no hydrogen 2.969 N/A THR 277.A N LEU 273.A O no hydrogen 2.701 N/A THR 277.A OG1 LEU 273.A O no hydrogen 3.373 N/A THR 277.A OG1 THR 274.A O no hydrogen 2.828 N/A THR 277.A OG1 GLU 278.A OE2 no hydrogen 3.355 N/A GLU 278.A N THR 274.A O no hydrogen 3.157 N/A ALA 279.A N ALA 275.A O no hydrogen 3.201 N/A LEU 280.A N ARG 276.A O no hydrogen 2.879 N/A ILE 281.A N THR 277.A O no hydrogen 3.023 N/A ALA 282.A N GLU 278.A O no hydrogen 2.618 N/A ARG 283.A N ALA 279.A O no hydrogen 2.912 N/A ARG 283.A NH1 GLU 196.A OE2 no hydrogen 3.400 N/A GLU 284.A N LEU 280.A O no hydrogen 2.813 N/A GLU 285.A N ILE 281.A O no hydrogen 2.938 N/A ALA 286.A N ALA 282.A O no hydrogen 3.188 N/A LYS 287.A N ARG 283.A O no hydrogen 2.936 N/A LYS 287.A NZ ASP 406.A OD2 no hydrogen 3.162 N/A VAL 288.A N GLU 284.A O no hydrogen 2.710 N/A ARG 289.A N GLU 285.A O no hydrogen 2.827 N/A ALA 290.A N ALA 286.A O no hydrogen 3.239 N/A ALA 291.A N LYS 287.A O no hydrogen 3.072 N/A LEU 292.A N ARG 289.A O no hydrogen 3.070 N/A GLU 293.A N ARG 289.A O no hydrogen 3.205 N/A TRP 295.A N LEU 292.A O no hydrogen 2.940 N/A ARG 296.A N GLU 293.A O no hydrogen 3.029 N/A ARG 298.A N TRP 295.A O no hydrogen 3.000 N/A ARG 298.A NE GLU 420.A OE2 no hydrogen 3.248 N/A ARG 298.A NH2 GLU 420.A OE1 no hydrogen 2.624 N/A ARG 298.A NH2 GLU 420.A OE2 no hydrogen 3.497 N/A LEU 299.A N TRP 295.A O no hydrogen 3.371 N/A GLU 300.A N ARG 296.A O no hydrogen 2.942 N/A LYS 302.A N LEU 299.A O no hydrogen 3.144 N/A ARG 303.A N ASP 372.A OD1 no hydrogen 2.792 N/A VAL 304.A N LYS 326.A O no hydrogen 3.003 N/A LEU 305.A N ILE 373.A O no hydrogen 2.947 N/A LEU 306.A N VAL 328.A O no hydrogen 2.680 N/A TYR 307.A N ILE 375.A O no hydrogen 2.908 N/A THR 308.A OG1 ASP 339.A OD2 no hydrogen 2.635 N/A SER 313.A OG VAL 311.A O no hydrogen 2.946 N/A SER 318.A N TRP 314.A O no hydrogen 3.354 N/A SER 318.A OG ASP 256.A OD1 no hydrogen 3.052 N/A SER 318.A OG TRP 314.A O no hydrogen 3.060 N/A SER 318.A OG SER 315.A O no hydrogen 2.650 N/A LEU 320.A N VAL 316.A O no hydrogen 3.143 N/A GLN 321.A N VAL 317.A O no hydrogen 2.762 N/A ASP 322.A N SER 318.A O no hydrogen 3.472 N/A ASP 322.A N ALA 319.A O no hydrogen 2.898 N/A GLY 324.A N LEU 320.A O no hydrogen 3.227 N/A MET 325.A N LEU 320.A O no hydrogen 3.292 N/A VAL 328.A N VAL 304.A O no hydrogen 3.047 N/A THR 330.A N LEU 306.A O no hydrogen 2.894 N/A THR 332.A N SER 335.A OG no hydrogen 2.488 N/A THR 332.A OG1 THR 332.A O no hydrogen 2.460 N/A THR 332.A OG1 ASP 355.A O no hydrogen 2.545 N/A LYS 333.A N LYS 352.A O no hydrogen 3.277 N/A LYS 334.A N THR 332.A O no hydrogen 2.373 N/A THR 336.A OG1 GLU 338.A OE1 no hydrogen 3.059 N/A THR 336.A OG1 ASP 339.A OD1 no hydrogen 2.983 N/A LYS 340.A NZ LYS 333.A O no hydrogen 2.962 N/A ALA 341.A N GLU 337.A O no hydrogen 2.952 N/A ARG 342.A N GLU 338.A O no hydrogen 2.970 N/A ILE 343.A N ASP 339.A O no hydrogen 2.555 N/A ARG 344.A N LYS 340.A O no hydrogen 2.932 N/A GLU 345.A N ALA 341.A O no hydrogen 3.360 N/A LEU 346.A N ARG 342.A O no hydrogen 3.005 N/A MET 347.A N ILE 343.A O no hydrogen 3.095 N/A LEU 362.A N ASN 358.A O no hydrogen 3.025 N/A LEU 363.A N ALA 359.A O no hydrogen 2.479 N/A THR 365.A N VAL 361.A O no hydrogen 2.704 N/A THR 365.A OG1 VAL 361.A O no hydrogen 2.362 N/A VAL 366.A N LEU 362.A O no hydrogen 2.882 N/A VAL 366.A N LEU 363.A O no hydrogen 2.905 N/A ASP 367.A N LEU 363.A O no hydrogen 3.072 N/A GLU 368.A N LYS 364.A O no hydrogen 2.840 N/A GLN 370.A N ASP 367.A O no hydrogen 2.948 N/A ALA 371.A N VAL 366.A O no hydrogen 3.028 N/A ASP 372.A N ARG 303.A O no hydrogen 2.549 N/A ILE 373.A N ARG 303.A O no hydrogen 3.442 N/A LEU 374.A N PRO 390.A O no hydrogen 3.130 N/A ILE 375.A N LEU 305.A O no hydrogen 3.007 N/A ASN 380.A N GLY 377.A O no hydrogen 2.983 N/A MET 381.A N GLY 378.A O no hydrogen 3.351 N/A THR 383.A OG1 ASN 380.A O no hydrogen 3.463 N/A ALA 384.A N ASN 380.A O no hydrogen 3.401 N/A LEU 385.A N MET 381.A O no hydrogen 2.850 N/A LYS 386.A N TYR 382.A O no hydrogen 2.969 N/A GLY 387.A N THR 383.A O no hydrogen 3.131 N/A ARG 388.A NH1 LYS 386.A O no hydrogen 2.856 N/A VAL 389.A N ALA 384.A O no hydrogen 2.729 N/A ASN 395.A ND2 ASP 393.A OD2 no hydrogen 3.496 N/A GLY 404.A N PHE 251.A O no hydrogen 2.669 N/A TYR 405.A OH SER 258.A OG no hydrogen 2.701 N/A LEU 409.A N ASP 406.A O no hydrogen 3.151 N/A GLU 410.A N GLY 407.A O no hydrogen 2.887 N/A LEU 411.A N GLY 407.A O no hydrogen 3.139 N/A VAL 412.A N MET 408.A O no hydrogen 2.989 N/A GLN 414.A N GLU 410.A O no hydrogen 2.675 N/A LEU 415.A N LEU 411.A O no hydrogen 2.894 N/A CYS 416.A N VAL 412.A O no hydrogen 3.057 N/A CYS 416.A SG VAL 412.A O no hydrogen 3.389 N/A CYS 416.A SG GLU 420.A OE2 no hydrogen 3.901 N/A ILE 417.A N ARG 413.A O no hydrogen 2.844 N/A THR 418.A N GLN 414.A O no hydrogen 3.507 N/A THR 418.A OG1 GLN 414.A O no hydrogen 3.361 N/A THR 418.A OG1 LEU 415.A O no hydrogen 3.109 N/A LEU 419.A N LEU 415.A O no hydrogen 2.847 N/A CYS 421.A N THR 418.A O no hydrogen 3.048 N/A TRP 424.A N CYS 421.A O no hydrogen 3.306 N/A TRP 424.A NE1 THR 418.A O no hydrogen 2.565 N/A VAL 427.A N TRP 424.A O no hydrogen 3.243 N/A