Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ith_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 10.A N ASP 121.A OD2 no hydrogen 3.119 N/A LYS 13.A N ARG 83.A O no hydrogen 3.413 N/A MET 16.A N LYS 13.A O no hydrogen 3.469 N/A VAL 21.A N ASN 57.A O no hydrogen 3.213 N/A GLN 23.A NE2 TRP 24.A O no hydrogen 2.685 N/A GLN 23.A NE2 VAL 60.A O no hydrogen 3.171 N/A LYS 30.A N THR 27.A O no hydrogen 3.071 N/A LYS 30.A NZ ALA 62.A O no hydrogen 3.360 N/A ILE 31.A N THR 27.A O no hydrogen 3.091 N/A LYS 32.A N GLU 28.A O no hydrogen 3.031 N/A ALA 33.A N GLU 29.A O no hydrogen 3.395 N/A LEU 34.A N LYS 30.A O no hydrogen 2.925 N/A VAL 35.A N LYS 32.A O no hydrogen 3.047 N/A GLU 36.A N LYS 32.A O no hydrogen 3.091 N/A ILE 37.A N ALA 33.A O no hydrogen 3.071 N/A CYS 38.A N LEU 34.A O no hydrogen 3.296 N/A CYS 38.A SG LEU 34.A O no hydrogen 3.027 N/A THR 39.A N VAL 35.A O no hydrogen 3.002 N/A THR 39.A OG1 VAL 35.A O no hydrogen 3.007 N/A GLU 40.A N GLU 36.A O no hydrogen 3.060 N/A MET 41.A N ILE 37.A O no hydrogen 3.024 N/A GLU 42.A N CYS 38.A O no hydrogen 2.761 N/A LYS 43.A N THR 39.A O no hydrogen 3.149 N/A GLU 44.A N GLU 40.A O no hydrogen 3.076 N/A GLY 45.A N GLU 42.A O no hydrogen 3.194 N/A SER 48.A N GLN 145.A O no hydrogen 2.916 N/A ILE 50.A N ARG 143.A O no hydrogen 3.163 N/A ASN 54.A N GLY 51.A O no hydrogen 3.496 N/A ASN 54.A ND2 LYS 126.A O no hydrogen 3.219 N/A ASN 54.A ND2 GLN 145.A OE1 no hydrogen 3.247 N/A TYR 56.A N ASN 54.A OD1 no hydrogen 3.000 N/A TYR 56.A OH ASP 17.A OD1 no hydrogen 2.832 N/A ASN 57.A N PRO 19.A O no hydrogen 3.282 N/A THR 58.A OG1 ALA 129.A O no hydrogen 3.439 N/A VAL 60.A N GLN 23.A OE1 no hydrogen 2.846 N/A PHE 61.A N LEU 74.A O no hydrogen 3.019 N/A ILE 63.A N ARG 72.A O no hydrogen 3.090 N/A LYS 65.A NZ ASP 110.A OD2 no hydrogen 3.143 N/A LYS 66.A NZ GLY 219.A O no hydrogen 2.964 N/A THR 69.A OG1 LYS 64.A O no hydrogen 3.367 N/A THR 69.A OG1 SER 68.A O no hydrogen 2.467 N/A ARG 72.A N ILE 63.A O no hydrogen 2.992 N/A LYS 73.A NZ TYR 146.A OH no hydrogen 3.321 N/A LEU 74.A N PHE 61.A O no hydrogen 2.848 N/A ASP 76.A N PRO 59.A O no hydrogen 3.152 N/A PHE 77.A N VAL 75.A O no hydrogen 2.844 N/A ARG 78.A N ASP 76.A OD1 no hydrogen 3.301 N/A ARG 78.A NH1 PRO 400.A O no hydrogen 2.915 N/A ARG 78.A NH2 ASP 76.A OD2 no hydrogen 2.879 N/A ASN 81.A N PHE 77.A O no hydrogen 2.799 N/A ASN 81.A ND2 GLY 152.A O no hydrogen 3.211 N/A LYS 82.A N ARG 78.A O no hydrogen 3.124 N/A ARG 83.A N LEU 80.A O no hydrogen 3.316 N/A ARG 83.A NH2 GLU 79.A OE2 no hydrogen 2.538 N/A THR 84.A N ASN 81.A O no hydrogen 2.843 N/A HIS 96.A N ILE 94.A O no hydrogen 2.437 N/A HIS 96.A NE2 VAL 369.A O no hydrogen 2.710 N/A LYS 102.A N GLY 99.A O no hydrogen 2.548 N/A LYS 103.A N LEU 100.A O no hydrogen 3.121 N/A LYS 104.A NZ LEU 193.A O no hydrogen 3.021 N/A SER 105.A N SER 191.A O no hydrogen 3.182 N/A VAL 106.A N LEU 222.A O no hydrogen 3.095 N/A THR 107.A N VAL 189.A O no hydrogen 2.709 N/A VAL 108.A N TYR 220.A O no hydrogen 3.430 N/A LEU 109.A N LEU 187.A O no hydrogen 3.131 N/A GLY 112.A N ASP 110.A OD1 no hydrogen 3.163 N/A ALA 114.A N VAL 111.A O no hydrogen 2.969 N/A TYR 115.A OH MET 184.A O no hydrogen 2.775 N/A PHE 116.A N ALA 114.A O no hydrogen 2.519 N/A LEU 120.A N ASN 147.A O no hydrogen 2.691 N/A ASP 123.A N ASP 121.A OD1 no hydrogen 3.023 N/A PHE 124.A N ASP 121.A O no hydrogen 3.011 N/A ARG 125.A N ASP 121.A O no hydrogen 3.233 N/A ARG 125.A N GLU 122.A O no hydrogen 3.174 N/A ARG 125.A NE LEU 120.A O no hydrogen 3.047 N/A ARG 125.A NH1 ASN 147.A OD1 no hydrogen 2.829 N/A ARG 125.A NH2 LEU 120.A O no hydrogen 3.328 N/A LYS 126.A NZ ASP 123.A O no hydrogen 3.171 N/A TYR 127.A N PHE 124.A O no hydrogen 2.703 N/A THR 128.A N ARG 125.A O no hydrogen 2.756 N/A THR 128.A OG1 ARG 125.A O no hydrogen 2.550 N/A PHE 130.A N TYR 144.A O no hydrogen 2.929 N/A ILE 132.A N ILE 142.A O no hydrogen 3.063 N/A SER 134.A OG THR 139.A O no hydrogen 2.734 N/A ASN 137.A N SER 134.A O no hydrogen 3.002 N/A GLU 138.A N ILE 135.A O no hydrogen 3.401 N/A ILE 142.A N ILE 132.A O no hydrogen 3.234 N/A ARG 143.A NE THR 131.A OG1 no hydrogen 3.117 N/A ARG 143.A NH2 TYR 56.A O no hydrogen 2.607 N/A TYR 144.A N PHE 130.A O no hydrogen 2.926 N/A GLN 145.A N SER 48.A O no hydrogen 2.938 N/A TYR 146.A N THR 128.A OG1 no hydrogen 2.937 N/A ASN 147.A N LYS 46.A O no hydrogen 2.947 N/A ASN 147.A ND2 GLY 45.A O no hydrogen 3.242 N/A ASN 147.A ND2 SER 48.A OG no hydrogen 2.798 N/A LEU 149.A N VAL 118.A O no hydrogen 3.168 N/A TRP 153.A N PRO 150.A O no hydrogen 3.448 N/A LYS 154.A NZ TYR 183.A OH no hydrogen 3.503 N/A GLY 155.A N TRP 153.A O no hydrogen 2.367 N/A SER 156.A OG PRO 150.A O no hydrogen 2.764 N/A ILE 159.A N GLY 155.A O no hydrogen 3.265 N/A PHE 160.A N SER 156.A O no hydrogen 2.938 N/A GLN 161.A N ALA 158.A O no hydrogen 3.183 N/A GLN 161.A NE2 ALA 158.A O no hydrogen 3.624 N/A MET 164.A N PHE 160.A O no hydrogen 3.044 N/A THR 165.A N GLN 161.A O no hydrogen 3.138 N/A THR 165.A OG1 GLN 161.A O no hydrogen 3.214 N/A LYS 166.A N SER 162.A O no hydrogen 3.272 N/A ILE 167.A N SER 163.A O no hydrogen 3.045 N/A LEU 168.A N MET 164.A O no hydrogen 2.991 N/A GLU 169.A N THR 165.A O no hydrogen 2.762 N/A GLU 169.A N LYS 166.A O no hydrogen 2.905 N/A LYS 172.A N LEU 168.A O no hydrogen 3.006 N/A LYS 173.A N GLU 169.A O no hydrogen 3.050 N/A GLN 174.A N PRO 170.A O no hydrogen 3.214 N/A ASN 175.A ND2 PHE 171.A O no hydrogen 3.191 N/A VAL 179.A N GLY 190.A O no hydrogen 3.123 N/A TYR 181.A N TYR 188.A O no hydrogen 2.865 N/A TYR 183.A N ASP 186.A O no hydrogen 2.997 N/A ASP 185.A N TYR 183.A O no hydrogen 2.583 N/A ASP 186.A N TYR 183.A O no hydrogen 3.039 N/A LEU 187.A N LEU 109.A O no hydrogen 3.115 N/A TYR 188.A N TYR 181.A O no hydrogen 2.503 N/A VAL 189.A N THR 107.A O no hydrogen 2.872 N/A GLY 190.A N VAL 179.A O no hydrogen 3.010 N/A HIS 198.A N GLU 194.A O no hydrogen 2.923 N/A ARG 199.A N ILE 195.A O no hydrogen 2.778 N/A THR 200.A N GLY 196.A O no hydrogen 3.265 N/A THR 200.A N GLN 197.A O no hydrogen 2.533 N/A THR 200.A OG1 GLY 196.A O no hydrogen 3.135 N/A LYS 201.A N GLN 197.A O no hydrogen 2.865 N/A LYS 201.A NZ ASN 175.A OD1 no hydrogen 2.575 N/A GLU 204.A N THR 200.A O no hydrogen 3.191 N/A ARG 206.A N ILE 202.A O no hydrogen 2.887 N/A ARG 206.A NE THR 216.A OG1 no hydrogen 2.867 N/A ARG 206.A NH1 GLU 203.A OE1 no hydrogen 3.566 N/A GLN 207.A N GLU 203.A O no hydrogen 2.741 N/A GLN 207.A NE2 GLU 203.A OE2 no hydrogen 2.895 N/A HIS 208.A N GLU 204.A O no hydrogen 2.590 N/A LEU 209.A N LEU 205.A O no hydrogen 2.919 N/A LEU 210.A N ARG 206.A O no hydrogen 2.853 N/A ARG 211.A N GLN 207.A O no hydrogen 2.870 N/A TRP 212.A N LEU 209.A O no hydrogen 3.219 N/A GLY 213.A N LEU 210.A O no hydrogen 2.678 N/A THR 215.A OG1 ASP 113.A OD2 no hydrogen 3.244 N/A THR 215.A OG1 LEU 214.A O no hydrogen 2.444 N/A LYS 226.A NZ ASP 225.A OD2 no hydrogen 3.131 N/A TRP 227.A N PRO 224.A O no hydrogen 2.980 N/A GLN 230.A N THR 339.A O no hydrogen 2.998 N/A GLN 230.A N THR 339.A OG1 no hydrogen 3.258 N/A THR 241.A N ASP 244.A OD2 no hydrogen 3.368 N/A THR 241.A OG1 ASP 244.A OD2 no hydrogen 3.220 N/A VAL 242.A N GLU 279.A O no hydrogen 3.197 N/A ASN 243.A N THR 241.A OG1 no hydrogen 3.087 N/A ASN 243.A N LEU 277.A O no hydrogen 3.233 N/A ASP 244.A N THR 241.A OG1 no hydrogen 3.198 N/A ILE 245.A N THR 241.A O no hydrogen 3.037 N/A GLN 246.A N VAL 242.A O no hydrogen 3.147 N/A LYS 247.A N ASN 243.A O no hydrogen 2.897 N/A LEU 248.A N ASP 244.A O no hydrogen 2.894 N/A VAL 249.A N ILE 245.A O no hydrogen 2.809 N/A GLY 250.A N GLN 246.A O no hydrogen 3.120 N/A LYS 251.A N LYS 247.A O no hydrogen 2.986 N/A LYS 251.A NZ VAL 233.A O no hydrogen 2.999 N/A LEU 252.A N LEU 248.A O no hydrogen 3.021 N/A ASN 253.A N VAL 249.A O no hydrogen 2.797 N/A TRP 254.A N GLY 250.A O no hydrogen 3.049 N/A ALA 255.A N LYS 251.A O no hydrogen 2.706 N/A SER 256.A OG ASN 253.A O no hydrogen 2.701 N/A GLN 257.A N TRP 254.A O no hydrogen 2.771 N/A TYR 259.A N ALA 255.A O no hydrogen 3.160 N/A ILE 262.A N TYR 259.A O no hydrogen 3.446 N/A GLN 266.A N GLU 290.A OE1 no hydrogen 3.067 N/A GLN 266.A N GLU 290.A OE2 no hydrogen 3.230 N/A LEU 267.A N VAL 264.A O no hydrogen 2.728 N/A CYS 268.A N VAL 264.A O no hydrogen 3.121 N/A CYS 268.A SG VAL 264.A O no hydrogen 4.033 N/A LYS 269.A N ARG 265.A O no hydrogen 2.911 N/A LEU 271.A N CYS 268.A O no hydrogen 3.056 N/A ARG 272.A N LYS 269.A O no hydrogen 3.441 N/A ARG 272.A NE LYS 269.A O no hydrogen 3.293 N/A GLU 279.A N ALA 276.A O no hydrogen 3.228 N/A ILE 281.A N TRP 240.A O no hydrogen 2.847 N/A THR 284.A OG1 GLU 286.A OE1 no hydrogen 3.333 N/A GLU 288.A N THR 284.A O no hydrogen 2.969 N/A LEU 289.A N GLU 285.A O no hydrogen 2.825 N/A GLU 290.A N GLU 286.A O no hydrogen 3.116 N/A LEU 291.A N ALA 287.A O no hydrogen 2.739 N/A ALA 292.A N GLU 288.A O no hydrogen 3.161 N/A GLU 293.A N LEU 289.A O no hydrogen 2.599 N/A ASN 294.A N GLU 290.A O no hydrogen 2.807 N/A ARG 295.A N LEU 291.A O no hydrogen 2.763 N/A ARG 295.A NH1 LEU 234.A O no hydrogen 3.154 N/A ARG 295.A NH2 PRO 235.A O no hydrogen 3.527 N/A GLU 296.A N ALA 292.A O no hydrogen 3.191 N/A GLU 296.A N GLU 293.A O no hydrogen 3.041 N/A ILE 297.A N ASN 294.A O no hydrogen 2.953 N/A LEU 298.A N ASN 294.A O no hydrogen 3.255 N/A LYS 299.A NZ ILE 232.A O no hydrogen 3.178 N/A ASP 308.A N GLN 331.A OE1 no hydrogen 2.893 N/A SER 310.A N ASP 308.A OD1 no hydrogen 3.363 N/A SER 310.A OG ASP 308.A OD1 no hydrogen 3.437 N/A LYS 311.A N ASP 308.A O no hydrogen 3.368 N/A ILE 314.A N TYR 330.A O no hydrogen 2.879 N/A ALA 315.A N LYS 376.A O no hydrogen 3.270 N/A GLU 316.A N GLN 328.A O no hydrogen 2.910 N/A GLN 318.A N THR 326.A O no hydrogen 2.849 N/A GLN 318.A NE2 GLN 328.A OE1 no hydrogen 3.156 N/A LYS 319.A NZ ASP 352.A OD1 no hydrogen 2.683 N/A LYS 319.A NZ ASP 352.A OD2 no hydrogen 2.735 N/A GLN 320.A N GLN 324.A O no hydrogen 2.897 N/A GLN 320.A NE2 THR 326.A OG1 no hydrogen 3.315 N/A GLN 320.A NE2 VAL 411.A O no hydrogen 2.792 N/A GLY 323.A N GLY 321.A O no hydrogen 2.470 N/A TRP 325.A N TYR 342.A O no hydrogen 2.911 N/A TRP 325.A NE1 GLN 355.A OE1 no hydrogen 2.606 N/A THR 326.A N GLN 318.A O no hydrogen 3.004 N/A THR 326.A OG1 GLN 318.A OE1 no hydrogen 2.687 N/A TYR 327.A N GLY 340.A O no hydrogen 3.096 N/A TYR 327.A OH GLU 366.A OE1 no hydrogen 3.087 N/A GLN 328.A N GLU 316.A O no hydrogen 2.975 N/A GLN 328.A NE2 GLN 318.A OE1 no hydrogen 2.861 N/A ILE 329.A N LYS 338.A O no hydrogen 2.958 N/A TYR 330.A N ILE 314.A O no hydrogen 3.266 N/A TYR 330.A OH GLU 316.A OE2 no hydrogen 2.767 N/A GLN 331.A NE2 ASP 308.A O no hydrogen 2.829 N/A GLN 331.A NE2 ASP 312.A O no hydrogen 3.423 N/A LYS 335.A N GLU 332.A O no hydrogen 3.229 N/A LEU 337.A N ILE 329.A O no hydrogen 2.806 N/A LYS 338.A N ILE 329.A O no hydrogen 3.237 N/A LYS 338.A NZ TRP 227.A O no hydrogen 3.284 N/A THR 339.A OG1 GLN 230.A O no hydrogen 2.854 N/A GLY 340.A N TYR 327.A O no hydrogen 3.063 N/A LYS 341.A NZ GLN 324.A OE1 no hydrogen 2.715 N/A TYR 342.A N TRP 325.A O no hydrogen 2.855 N/A TYR 342.A OH GLU 358.A OE1 no hydrogen 3.177 N/A ARG 344.A NH2 TYR 342.A OH no hydrogen 3.389 N/A ARG 344.A NH2 HIS 349.A NE2 no hydrogen 2.886 N/A HIS 349.A ND1 HIS 349.A O no hydrogen 2.612 N/A ASN 351.A ND2 TYR 393.A OH no hydrogen 2.938 N/A LYS 354.A N ASN 351.A OD1 no hydrogen 3.239 N/A GLN 355.A N ASN 351.A O no hydrogen 3.045 N/A LEU 356.A N ASP 352.A O no hydrogen 2.804 N/A THR 357.A N VAL 353.A O no hydrogen 2.852 N/A THR 357.A OG1 VAL 353.A O no hydrogen 3.179 N/A GLU 358.A N LYS 354.A O no hydrogen 2.840 N/A ALA 359.A N GLN 355.A O no hydrogen 2.747 N/A VAL 360.A N LEU 356.A O no hydrogen 3.020 N/A GLN 361.A N THR 357.A O no hydrogen 3.218 N/A GLN 361.A N GLU 358.A O no hydrogen 3.019 N/A GLN 361.A NE2 THR 357.A O no hydrogen 3.314 N/A GLN 361.A NE2 TYR 393.A O no hydrogen 3.456 N/A LYS 362.A N GLU 358.A O no hydrogen 2.987 N/A ILE 363.A N ALA 359.A O no hydrogen 2.824 N/A THR 364.A N VAL 360.A O no hydrogen 3.249 N/A THR 364.A OG1 VAL 360.A O no hydrogen 2.644 N/A THR 365.A N GLN 361.A O no hydrogen 2.890 N/A GLU 366.A N LYS 362.A O no hydrogen 2.986 N/A SER 367.A N ILE 363.A O no hydrogen 3.076 N/A SER 367.A OG ILE 363.A O no hydrogen 3.310 N/A ILE 368.A N THR 364.A O no hydrogen 3.057 N/A VAL 369.A N THR 365.A O no hydrogen 3.274 N/A ILE 370.A N GLU 366.A O no hydrogen 2.896 N/A TRP 371.A N SER 367.A O no hydrogen 2.888 N/A GLY 372.A N SER 367.A O no hydrogen 3.214 N/A GLY 372.A N ILE 368.A O no hydrogen 2.821 N/A LYS 373.A NZ TYR 307.A OH no hydrogen 3.066 N/A LYS 373.A NZ PRO 309.A O no hydrogen 3.205 N/A LYS 373.A NZ LYS 311.A O no hydrogen 2.621 N/A LYS 376.A N LEU 313.A O no hydrogen 2.764 N/A LYS 376.A NZ GLU 401.A OE1 no hydrogen 3.374 N/A LYS 376.A NZ GLU 403.A OE2 no hydrogen 3.367 N/A PHE 377.A N GLU 401.A O no hydrogen 2.943 N/A LYS 378.A N ALA 315.A O no hydrogen 2.876 N/A LEU 379.A N GLU 403.A O no hydrogen 2.921 N/A ILE 381.A N LEU 379.A O no hydrogen 2.845 N/A LYS 383.A NZ GLU 387.A OE2 no hydrogen 3.115 N/A GLU 384.A N GLU 384.A OE1 no hydrogen 2.769 N/A TRP 386.A N GLN 382.A O no hydrogen 3.081 N/A GLU 387.A N LYS 383.A O no hydrogen 2.748 N/A THR 388.A N GLU 384.A O no hydrogen 2.814 N/A THR 388.A OG1 GLU 384.A O no hydrogen 2.474 N/A TRP 389.A N TRP 386.A O no hydrogen 3.190 N/A TRP 390.A N TRP 386.A O no hydrogen 3.132 N/A GLU 392.A N TRP 389.A O no hydrogen 3.244 N/A TYR 393.A N TRP 390.A O no hydrogen 3.039 N/A TRP 394.A NE1 TRP 398.A O no hydrogen 2.967 N/A GLN 395.A N GLN 361.A OE1 no hydrogen 3.297 N/A GLN 395.A NE2 TYR 393.A O no hydrogen 3.250 N/A THR 397.A OG1 ASP 186.A OD1 no hydrogen 3.153 N/A GLU 403.A N PHE 377.A O no hydrogen 2.732 N/A VAL 405.A N LEU 379.A O no hydrogen 3.144 N/A TRP 414.A N VAL 411.A O no hydrogen 3.444 N/A