Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3twj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLU 6.A OE1 no hydrogen 3.291 N/A LYS 7.A N THR 3.A O no hydrogen 3.118 N/A MET 8.A N ARG 4.A O no hydrogen 3.258 N/A ASP 9.A N PHE 5.A O no hydrogen 3.084 N/A ASN 10.A N GLU 6.A O no hydrogen 2.663 N/A LEU 11.A N LYS 7.A O no hydrogen 2.689 N/A LEU 12.A N MET 8.A O no hydrogen 3.137 N/A LEU 12.A N ASP 9.A O no hydrogen 3.335 N/A ARG 13.A N ASN 10.A O no hydrogen 2.822 N/A ARG 13.A NE ASP 9.A O no hydrogen 3.531 N/A ARG 13.A NH2 ASN 10.A OD1 no hydrogen 2.860 N/A SER 17.A N ASP 14.A O no hydrogen 2.992 N/A SER 17.A OG LEU 11.A O no hydrogen 2.777 N/A VAL 19.A N SER 17.A OG no hydrogen 3.092 N/A SER 21.A N LEU 12.A O no hydrogen 3.226 N/A SER 21.A OG LEU 12.A O no hydrogen 3.500 N/A CYS 23.A N ASN 20.A OD1 no hydrogen 3.433 N/A CYS 23.A SG SER 17.A O no hydrogen 3.621 N/A CYS 23.A SG ASN 20.A OD1 no hydrogen 3.322 N/A CYS 23.A SG GLY 390.A O no hydrogen 3.807 N/A LEU 24.A N ASN 20.A O no hydrogen 3.226 N/A LEU 25.A N SER 21.A O no hydrogen 3.352 N/A ASP 26.A N ASP 22.A O no hydrogen 2.893 N/A GLY 27.A N CYS 23.A O no hydrogen 2.898 N/A LEU 28.A N LEU 24.A O no hydrogen 3.011 N/A ASP 29.A N LEU 25.A O no hydrogen 2.753 N/A ALA 30.A N ASP 26.A O no hydrogen 2.710 N/A LEU 31.A N GLY 27.A O no hydrogen 3.241 N/A VAL 32.A N LEU 28.A O no hydrogen 3.052 N/A TYR 33.A N ASP 29.A O no hydrogen 2.847 N/A TYR 33.A OH ASP 140.A OD2 no hydrogen 3.003 N/A ASP 34.A N ALA 30.A O no hydrogen 2.820 N/A LEU 35.A N LEU 31.A O no hydrogen 2.730 N/A LEU 35.A N VAL 32.A O no hydrogen 3.232 N/A PHE 37.A N LEU 35.A O no hydrogen 3.232 N/A ARG 41.A N PHE 37.A O no hydrogen 2.988 N/A ARG 41.A NE ASP 36.A OD1 no hydrogen 3.313 N/A ARG 41.A NH1 ASP 47.A OD1 no hydrogen 3.500 N/A ARG 41.A NH2 ASP 36.A OD2 no hydrogen 3.068 N/A LYS 42.A N ALA 39.A O no hydrogen 3.397 N/A ASN 43.A N LEU 40.A O no hydrogen 3.023 N/A ASP 47.A N ASN 43.A O no hydrogen 2.739 N/A ASN 48.A N LYS 44.A O no hydrogen 2.629 N/A PHE 49.A N ASN 45.A O no hydrogen 3.263 N/A LEU 50.A N ILE 46.A O no hydrogen 2.837 N/A SER 51.A N ASP 47.A O no hydrogen 3.279 N/A SER 51.A OG ASP 47.A O no hydrogen 3.271 N/A ARG 52.A N ASN 48.A O no hydrogen 3.316 N/A TYR 53.A N PHE 49.A O no hydrogen 3.295 N/A LYS 54.A N LEU 50.A O no hydrogen 2.584 N/A THR 56.A OG1 TYR 53.A O no hydrogen 3.538 N/A THR 56.A OG1 ASP 55.A OD2 no hydrogen 2.625 N/A ILE 57.A N TYR 53.A O no hydrogen 3.068 N/A ILE 57.A N LYS 54.A O no hydrogen 2.905 N/A ASN 58.A N ASP 55.A O no hydrogen 2.823 N/A LYS 59.A N ASP 55.A O no hydrogen 3.127 N/A ARG 61.A N ILE 57.A O no hydrogen 2.776 N/A ARG 61.A NE ASP 29.A OD1 no hydrogen 3.347 N/A ARG 61.A NE ASP 29.A OD2 no hydrogen 3.079 N/A ARG 61.A NH2 ASP 29.A OD2 no hydrogen 2.924 N/A ASP 62.A N ASN 58.A O no hydrogen 3.370 N/A LEU 63.A N LYS 59.A O no hydrogen 3.481 N/A ARG 64.A NH2 ASP 22.A O no hydrogen 3.193 N/A ARG 64.A NH2 ASP 26.A OD2 no hydrogen 3.097 N/A MET 65.A N TYR 394.A OH no hydrogen 3.457 N/A LYS 66.A N ASP 69.A OD2 no hydrogen 2.786 N/A ASP 69.A N LYS 66.A O no hydrogen 2.769 N/A TYR 70.A N ALA 67.A O no hydrogen 3.040 N/A GLU 71.A N ARG 88.A O no hydrogen 2.789 N/A VAL 73.A N LEU 86.A O no hydrogen 2.685 N/A ILE 76.A N VAL 84.A O no hydrogen 2.619 N/A GLY 79.A N GLY 82.A O no hydrogen 2.743 N/A VAL 84.A N GLY 77.A O no hydrogen 2.906 N/A GLN 85.A N MET 98.A O no hydrogen 2.969 N/A GLN 85.A NE2 GLU 83.A OE2 no hydrogen 2.750 N/A LEU 86.A N LYS 74.A O no hydrogen 2.886 N/A VAL 87.A N TYR 96.A O no hydrogen 3.089 N/A ARG 88.A N GLU 71.A O no hydrogen 2.826 N/A ARG 88.A NH1 ARG 93.A O no hydrogen 3.414 N/A HIS 89.A N LYS 94.A O no hydrogen 3.114 N/A LYS 90.A N ASP 69.A O no hydrogen 2.787 N/A LYS 90.A NZ GLU 68.A O no hydrogen 2.802 N/A ARG 93.A NE LYS 90.A O no hydrogen 3.519 N/A TYR 96.A N VAL 87.A O no hydrogen 3.189 N/A ALA 97.A N MET 147.A O no hydrogen 2.777 N/A MET 98.A N GLN 85.A O no hydrogen 3.111 N/A LYS 99.A N MET 145.A O no hydrogen 2.821 N/A LYS 99.A NZ GLU 118.A OE1 no hydrogen 2.723 N/A LYS 99.A NZ GLU 118.A OE2 no hydrogen 3.443 N/A SER 102.A N PHE 81.A O no hydrogen 2.723 N/A LYS 103.A N ARG 141.A O no hydrogen 2.809 N/A LYS 103.A NZ GLN 138.A OE1 no hydrogen 3.458 N/A LYS 103.A NZ ASP 139.A O no hydrogen 2.438 N/A LYS 103.A NZ ASP 140.A O no hydrogen 3.485 N/A GLU 105.A N SER 102.A OG no hydrogen 2.929 N/A ILE 107.A N LYS 103.A O no hydrogen 3.211 N/A LYS 108.A N PHE 104.A O no hydrogen 2.910 N/A ARG 109.A N GLU 105.A O no hydrogen 2.898 N/A SER 110.A N ILE 107.A O no hydrogen 3.369 N/A ARG 119.A N PHE 115.A O no hydrogen 3.045 N/A ARG 119.A NH1 PHE 391.A O no hydrogen 2.963 N/A ASP 120.A N TRP 116.A O no hydrogen 2.814 N/A ILE 121.A N GLU 117.A O no hydrogen 2.883 N/A ALA 123.A N ARG 119.A O no hydrogen 2.981 N/A PHE 124.A N ASP 120.A O no hydrogen 3.314 N/A ALA 125.A N ILE 121.A O no hydrogen 3.225 N/A SER 127.A OG ALA 125.A O no hydrogen 3.183 N/A VAL 130.A N SER 127.A O no hydrogen 3.259 N/A VAL 131.A N LEU 208.A O no hydrogen 3.013 N/A GLN 132.A N GLU 148.A OE1 no hydrogen 2.900 N/A LEU 133.A N MET 122.A O no hydrogen 2.821 N/A PHE 134.A N VAL 146.A O no hydrogen 2.972 N/A TYR 135.A N VAL 146.A O no hydrogen 3.491 N/A ALA 136.A N TYR 393.A O no hydrogen 2.958 N/A PHE 137.A N TYR 144.A O no hydrogen 3.363 N/A GLN 138.A NE2 PHE 388.A O no hydrogen 2.832 N/A ASP 139.A N TYR 142.A O no hydrogen 3.387 N/A ARG 141.A N ASP 139.A OD1 no hydrogen 3.186 N/A ARG 141.A N ASP 140.A OD1 no hydrogen 3.279 N/A TYR 142.A N ASP 139.A OD1 no hydrogen 3.146 N/A LEU 143.A N LEU 101.A O no hydrogen 2.851 N/A TYR 144.A OH ASP 139.A OD2 no hydrogen 2.733 N/A MET 145.A N LYS 99.A O no hydrogen 2.772 N/A VAL 146.A N TYR 135.A O no hydrogen 3.190 N/A MET 147.A N ALA 97.A O no hydrogen 2.403 N/A GLU 148.A N GLN 132.A O no hydrogen 3.141 N/A TYR 149.A OH ASP 358.A O no hydrogen 2.740 N/A GLY 152.A N LEU 200.A O no hydrogen 2.841 N/A GLY 153.A N MET 150.A O no hydrogen 3.317 N/A LEU 155.A N PRO 195.A O no hydrogen 3.069 N/A LEU 155.A N MET 198.A O no hydrogen 3.121 N/A ASN 157.A N ASP 154.A OD2 no hydrogen 2.916 N/A LEU 158.A N ASP 154.A O no hydrogen 3.325 N/A MET 159.A N LEU 155.A O no hydrogen 2.736 N/A SER 160.A N VAL 156.A O no hydrogen 3.211 N/A ASN 161.A N ASN 157.A O no hydrogen 3.269 N/A ASN 161.A N LEU 158.A O no hydrogen 2.797 N/A ALA 169.A N PRO 165.A O no hydrogen 2.977 N/A ARG 170.A N GLU 166.A O no hydrogen 2.720 N/A ARG 170.A NE PHE 331.A O no hydrogen 2.772 N/A PHE 171.A N LYS 167.A O no hydrogen 3.140 N/A TYR 172.A N TRP 168.A O no hydrogen 3.027 N/A THR 173.A N ALA 169.A O no hydrogen 2.973 N/A THR 173.A OG1 ALA 169.A O no hydrogen 3.102 N/A ALA 174.A N ARG 170.A O no hydrogen 2.955 N/A GLU 175.A N PHE 171.A O no hydrogen 2.915 N/A VAL 176.A N TYR 172.A O no hydrogen 2.873 N/A VAL 177.A N THR 173.A O no hydrogen 2.860 N/A LEU 178.A N ALA 174.A O no hydrogen 3.210 N/A ALA 179.A N GLU 175.A O no hydrogen 2.940 N/A LEU 180.A N VAL 176.A O no hydrogen 2.846 N/A LEU 180.A N VAL 177.A O no hydrogen 2.992 N/A ASP 181.A N VAL 177.A O no hydrogen 3.007 N/A ALA 182.A N LEU 178.A O no hydrogen 2.985 N/A HIS 184.A N LEU 180.A O no hydrogen 2.766 N/A HIS 184.A NE2 ASP 254.A OD2 no hydrogen 3.000 N/A SER 185.A N ASP 181.A O no hydrogen 2.927 N/A SER 185.A OG ASP 181.A O no hydrogen 3.202 N/A MET 186.A N ILE 183.A O no hydrogen 3.170 N/A GLY 187.A N ILE 183.A O no hydrogen 3.205 N/A GLY 187.A N HIS 184.A O no hydrogen 2.919 N/A PHE 188.A N ILE 183.A O no hydrogen 3.007 N/A ILE 189.A N MET 215.A O no hydrogen 3.150 N/A HIS 190.A N ASP 254.A OD2 no hydrogen 2.965 N/A HIS 190.A NE2 ALA 209.A O no hydrogen 3.135 N/A ARG 191.A N ASP 254.A OD1 no hydrogen 2.872 N/A LYS 194.A N ASN 197.A OD1 no hydrogen 3.146 N/A ASN 197.A N LYS 194.A O no hydrogen 2.653 N/A MET 198.A N PRO 195.A O no hydrogen 3.108 N/A LEU 199.A N LYS 207.A O no hydrogen 2.858 N/A LEU 200.A N GLY 153.A O no hydrogen 3.027 N/A ASP 201.A N HIS 205.A O no hydrogen 2.943 N/A SER 203.A N ASP 201.A OD1 no hydrogen 2.889 N/A SER 203.A OG ASP 201.A OD1 no hydrogen 2.700 N/A GLY 204.A N ASP 201.A O no hydrogen 3.042 N/A HIS 205.A ND1 GLU 175.A OE2 no hydrogen 2.851 N/A HIS 205.A NE2 THR 345.A O no hydrogen 2.656 N/A LYS 207.A N LEU 199.A O no hydrogen 2.877 N/A LYS 207.A NZ GLU 148.A OE1 no hydrogen 3.528 N/A LYS 207.A NZ GLU 148.A OE2 no hydrogen 2.791 N/A LEU 208.A N TRP 129.A O no hydrogen 2.953 N/A ALA 209.A N ASN 197.A O no hydrogen 2.931 N/A THR 213.A OG1 ARG 191.A O no hydrogen 3.492 N/A CYS 214.A N PHE 211.A O no hydrogen 2.920 N/A CYS 214.A SG ILE 189.A O no hydrogen 2.889 N/A MET 215.A N ILE 189.A O no hydrogen 3.213 N/A MET 217.A N GLY 187.A O no hydrogen 2.695 N/A LYS 219.A NZ GLU 220.A OE2 no hydrogen 2.977 N/A CYS 225.A SG ARG 224.A O no hydrogen 2.941 N/A TYR 234.A OH GLU 264.A OE2 no hydrogen 2.263 N/A ILE 235.A N PRO 232.A O no hydrogen 2.835 N/A SER 236.A OG GLU 238.A OE1 no hydrogen 3.185 N/A SER 236.A OG GLU 238.A OE2 no hydrogen 3.133 N/A LEU 240.A N PRO 237.A O no hydrogen 3.137 N/A LYS 241.A N PRO 237.A O no hydrogen 3.321 N/A SER 242.A N GLU 238.A O no hydrogen 3.152 N/A SER 242.A OG CYS 225.A O no hydrogen 3.244 N/A SER 242.A OG GLN 243.A OE1 no hydrogen 3.226 N/A GLN 243.A N LEU 240.A O no hydrogen 3.332 N/A ASP 246.A N LYS 241.A O no hydrogen 3.207 N/A TYR 249.A N VAL 223.A O no hydrogen 3.196 N/A CYS 253.A SG GLY 250.A O no hydrogen 3.166 N/A CYS 253.A SG ASP 254.A OD1 no hydrogen 3.586 N/A ASP 254.A N ARG 251.A O no hydrogen 2.777 N/A TRP 256.A N GLU 252.A O no hydrogen 3.392 N/A SER 257.A OG VAL 193.A O no hydrogen 3.327 N/A SER 257.A OG TYR 234.A O no hydrogen 3.351 N/A VAL 258.A N TRP 255.A O no hydrogen 3.168 N/A GLY 259.A N TRP 255.A O no hydrogen 3.392 N/A VAL 260.A N TRP 256.A O no hydrogen 3.082 N/A PHE 261.A N SER 257.A O no hydrogen 2.667 N/A LEU 262.A N VAL 258.A O no hydrogen 2.558 N/A TYR 263.A N GLY 259.A O no hydrogen 2.874 N/A TYR 263.A OH THR 292.A O no hydrogen 2.680 N/A GLU 264.A N VAL 260.A O no hydrogen 2.815 N/A MET 265.A N PHE 261.A O no hydrogen 2.961 N/A MET 265.A N LEU 262.A O no hydrogen 3.261 N/A LEU 266.A N LEU 262.A O no hydrogen 3.291 N/A VAL 267.A N TYR 263.A O no hydrogen 2.784 N/A GLY 268.A N GLU 264.A O no hydrogen 3.181 N/A GLY 279.A N SER 276.A OG no hydrogen 2.876 N/A THR 280.A OG1 SER 276.A O no hydrogen 2.984 N/A TYR 281.A N LEU 277.A O no hydrogen 2.967 N/A SER 282.A N VAL 278.A O no hydrogen 2.679 N/A LYS 283.A N GLY 279.A O no hydrogen 2.615 N/A ILE 284.A N THR 280.A O no hydrogen 2.806 N/A MET 285.A N TYR 281.A O no hydrogen 3.160 N/A ASN 286.A N SER 282.A O no hydrogen 3.040 N/A HIS 287.A N ILE 284.A O no hydrogen 2.839 N/A SER 290.A N ASN 286.A O no hydrogen 2.725 N/A SER 290.A OG LYS 283.A O no hydrogen 2.543 N/A SER 290.A OG ASN 286.A O no hydrogen 3.233 N/A LEU 291.A N HIS 287.A O no hydrogen 3.337 N/A ASN 297.A ND2 LEU 266.A O no hydrogen 2.771 N/A SER 300.A N GLU 166.A OE1 no hydrogen 2.719 N/A SER 300.A OG GLU 166.A OE2 no hydrogen 2.966 N/A SER 300.A OG GLU 302.A OE2 no hydrogen 2.976 N/A GLU 302.A N GLU 302.A OE1 no hydrogen 2.422 N/A ALA 303.A N SER 300.A O no hydrogen 2.677 N/A ALA 303.A N SER 300.A OG no hydrogen 2.993 N/A LYS 304.A N SER 300.A O no hydrogen 3.186 N/A LYS 304.A NZ ILE 299.A O no hydrogen 2.779 N/A ASN 305.A N LYS 301.A O no hydrogen 3.480 N/A LEU 306.A N GLU 302.A O no hydrogen 3.161 N/A ILE 307.A N ALA 303.A O no hydrogen 3.107 N/A CYS 308.A N LYS 304.A O no hydrogen 2.667 N/A CYS 308.A SG LYS 304.A O no hydrogen 3.496 N/A ALA 309.A N ASN 305.A O no hydrogen 2.786 N/A PHE 310.A N LEU 306.A O no hydrogen 3.197 N/A LEU 311.A N ILE 307.A O no hydrogen 2.869 N/A LEU 311.A N CYS 308.A O no hydrogen 3.172 N/A THR 312.A OG1 CYS 308.A O no hydrogen 3.098 N/A THR 312.A OG1 ALA 309.A O no hydrogen 2.779 N/A ARG 314.A NH1 TYR 248.A O no hydrogen 2.657 N/A VAL 316.A N ASP 313.A O no hydrogen 3.087 N/A ARG 317.A N ARG 314.A O no hydrogen 3.392 N/A ARG 317.A NE GLU 252.A O no hydrogen 2.873 N/A ARG 317.A NH1 GLU 238.A OE1 no hydrogen 3.361 N/A ARG 317.A NH1 THR 312.A O no hydrogen 2.416 N/A ARG 317.A NH2 GLU 238.A OE1 no hydrogen 2.894 N/A ARG 317.A NH2 GLU 238.A OE2 no hydrogen 2.842 N/A ARG 317.A NH2 GLU 252.A O no hydrogen 2.977 N/A LEU 318.A N ALA 309.A O no hydrogen 3.415 N/A GLY 319.A N GLU 325.A OE1 no hydrogen 2.538 N/A ARG 320.A N ARG 317.A O no hydrogen 3.033 N/A ARG 320.A NE GLU 315.A O no hydrogen 3.237 N/A ARG 320.A NH1 GLU 325.A OE2 no hydrogen 3.532 N/A ASN 321.A N GLU 325.A OE1 no hydrogen 2.986 N/A GLY 322.A N GLY 319.A O no hydrogen 3.324 N/A ILE 326.A N VAL 323.A O no hydrogen 3.284 N/A LYS 327.A N VAL 323.A O no hydrogen 3.152 N/A ARG 328.A N GLU 324.A O no hydrogen 2.878 N/A ARG 328.A NH1 GLU 325.A O no hydrogen 3.063 N/A HIS 329.A N ILE 326.A O no hydrogen 2.730 N/A HIS 329.A NE2 ASN 305.A OD1 no hydrogen 2.425 N/A PHE 331.A N HIS 329.A ND1 no hydrogen 2.806 N/A PHE 332.A N HIS 329.A O no hydrogen 2.742 N/A LYS 333.A N LEU 330.A O no hydrogen 3.187 N/A ASN 334.A ND2 PHE 332.A O no hydrogen 2.637 N/A GLN 336.A N ASN 334.A OD1 no hydrogen 3.253 N/A GLN 336.A N GLN 336.A OE1 no hydrogen 2.954 N/A TRP 337.A N ASN 334.A OD1 no hydrogen 3.218 N/A THR 341.A N ALA 338.A O no hydrogen 3.138 N/A LEU 342.A N TRP 339.A O no hydrogen 3.401 N/A ARG 343.A NH1 ASP 201.A OD2 no hydrogen 2.725 N/A ARG 343.A NH2 ASP 201.A OD2 no hydrogen 3.195 N/A ARG 343.A NH2 LEU 206.A O no hydrogen 2.691 N/A ASP 344.A N THR 341.A O no hydrogen 2.634 N/A VAL 346.A N THR 345.A OG1 no hydrogen 2.693 N/A SER 354.A OG SER 355.A OG no hydrogen 2.904 N/A SER 354.A OG ASP 358.A OD1 no hydrogen 3.169 N/A SER 355.A OG SER 354.A OG no hydrogen 2.904 N/A THR 359.A OG1 ASP 364.A OD2 no hydrogen 2.934 N/A SER 360.A OG ASP 358.A OD1 no hydrogen 2.786 N/A SER 360.A OG ASP 358.A OD2 no hydrogen 3.514 N/A PHE 362.A N THR 359.A O no hydrogen 2.940 N/A THR 374.A OG1 PHE 375.A O no hydrogen 2.997 N/A GLN 385.A N ASP 34.A OD2 no hydrogen 3.009 N/A GLN 385.A NE2 ASP 140.A O no hydrogen 3.408 N/A LEU 386.A N GLY 383.A O no hydrogen 2.845 N/A PHE 388.A N GLN 385.A O no hydrogen 2.913 N/A VAL 389.A N LEU 386.A O no hydrogen 3.423 N/A GLY 390.A N ASP 26.A OD1 no hydrogen 3.239 N/A PHE 391.A N PHE 388.A O no hydrogen 3.121 N/A THR 392.A N ASP 26.A OD1 no hydrogen 2.820 N/A THR 392.A OG1 ASP 26.A OD1 no hydrogen 2.930 N/A THR 392.A OG1 ASP 26.A OD2 no hydrogen 2.889 N/A TYR 393.A N ALA 136.A O no hydrogen 3.047 N/A TYR 393.A OH SER 395.A OG no hydrogen 3.218 N/A SER 395.A OG TYR 393.A OH no hydrogen 3.218 N/A