Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jcp_S.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N SER 3.A OG no hydrogen 2.425 N/A THR 4.A OG1 MET 1.A O no hydrogen 2.634 N/A ALA 5.A N MET 1.A O no hydrogen 3.056 N/A VAL 6.A N ALA 2.A O no hydrogen 2.641 N/A MET 7.A N SER 3.A O no hydrogen 2.214 N/A MET 8.A N THR 4.A O no hydrogen 2.823 N/A ASP 9.A N ALA 5.A O no hydrogen 3.191 N/A VAL 10.A N VAL 6.A O no hydrogen 2.261 N/A ASP 11.A N MET 7.A O no hydrogen 2.597 N/A SER 12.A N MET 8.A O no hydrogen 2.508 N/A SER 12.A OG ASP 9.A O no hydrogen 2.192 N/A SER 13.A N ASP 9.A O no hydrogen 2.419 N/A SER 13.A OG ASP 9.A O no hydrogen 3.034 N/A SER 13.A OG VAL 10.A O no hydrogen 2.315 N/A GLY 14.A N VAL 10.A O no hydrogen 2.362 N/A VAL 15.A N ASP 11.A O no hydrogen 2.590 N/A ASN 16.A N SER 12.A O no hydrogen 2.240 N/A ASP 17.A N SER 13.A O no hydrogen 2.414 N/A LEU 18.A N GLY 14.A O no hydrogen 3.142 N/A HIS 19.A N VAL 15.A O no hydrogen 2.849 N/A HIS 20.A N ASN 16.A O no hydrogen 2.453 N/A SER 21.A N ASP 17.A O no hydrogen 2.499 N/A SER 21.A OG ASP 17.A O no hydrogen 3.506 N/A SER 21.A OG LEU 18.A O no hydrogen 2.219 N/A GLU 22.A N LEU 18.A O no hydrogen 3.176 N/A GLU 28.A N LYS 24.A O no hydrogen 2.497 N/A ASP 29.A N TYR 25.A O no hydrogen 3.318 N/A GLN 30.A N ALA 26.A O no hydrogen 2.139 N/A VAL 31.A N GLU 27.A O no hydrogen 2.273 N/A GLN 32.A N GLU 28.A O no hydrogen 2.304 N/A GLU 33.A N ASP 29.A O no hydrogen 2.455 N/A LEU 34.A N GLN 30.A O no hydrogen 2.232 N/A LEU 35.A N VAL 31.A O no hydrogen 2.337 N/A LYS 36.A N GLN 32.A O no hydrogen 2.925 N/A VAL 37.A N GLU 33.A O no hydrogen 3.036 N/A LEU 38.A N LEU 35.A O no hydrogen 3.264 N/A ASN 39.A N LYS 36.A O no hydrogen 3.458 N/A GLU 40.A N VAL 37.A O no hydrogen 2.889 N/A LEU 48.A N THR 44.A O no hydrogen 2.329 N/A ASP 49.A N THR 44.A O no hydrogen 3.316 N/A PRO 50.A N LEU 46.A O no hydrogen 2.897 N/A ARG 51.A N THR 47.A O no hydrogen 2.808 N/A TYR 52.A N LEU 48.A O no hydrogen 3.081 N/A TRP 54.A N PRO 50.A O no hydrogen 2.198 N/A ARG 55.A N ARG 51.A O no hydrogen 2.271 N/A SER 62.A N LYS 58.A O no hydrogen 2.841 N/A LEU 63.A N ASP 59.A O no hydrogen 2.498 N/A ARG 64.A N LEU 60.A O no hydrogen 2.480 N/A ASN 65.A N SER 61.A O no hydrogen 3.010 N/A GLN 66.A N LEU 63.A O no hydrogen 2.722 N/A LEU 68.A N ARG 64.A O no hydrogen 2.957 N/A LEU 69.A N ASN 65.A O no hydrogen 2.600 N/A VAL 81.A N THR 78.A O no hydrogen 2.928 N/A ILE 85.A N VAL 81.A O no hydrogen 3.176 N/A ASN 86.A N THR 82.A O no hydrogen 2.200 N/A CYS 87.A N ALA 83.A O no hydrogen 2.215 N/A CYS 87.A SG ALA 83.A O no hydrogen 3.065 N/A PHE 88.A N GLU 84.A O no hydrogen 2.252 N/A MET 89.A N ILE 85.A O no hydrogen 2.320 N/A HIS 90.A N ASN 86.A O no hydrogen 2.797 N/A LEU 91.A N CYS 87.A O no hydrogen 2.172 N/A LEU 92.A N PHE 88.A O no hydrogen 2.817 N/A VAL 93.A N MET 89.A O no hydrogen 2.690 N/A GLN 94.A N HIS 90.A O no hydrogen 2.189 N/A LEU 95.A N LEU 92.A O no hydrogen 2.747 N/A LEU 97.A N LEU 95.A O no hydrogen 2.470 N/A LEU 97.A N SER 100.A OG no hydrogen 2.833 N/A SER 100.A OG LEU 95.A O no hydrogen 2.232 N/A SER 100.A OG TRP 98.A O no hydrogen 2.775 N/A VAL 107.A N LEU 103.A O no hydrogen 2.139 N/A GLU 108.A N GLU 104.A O no hydrogen 3.468 N/A PHE 109.A N GLN 105.A O no hydrogen 3.162 N/A ASN 110.A N LEU 106.A O no hydrogen 2.150 N/A ASN 110.A ND2 TYR 139.A OH no hydrogen 3.285 N/A ARG 111.A N VAL 107.A O no hydrogen 3.294 N/A LYS 112.A N GLU 108.A O no hydrogen 2.622 N/A LYS 112.A NZ GLU 108.A OE2 no hydrogen 2.317 N/A VAL 113.A N ASN 110.A O no hydrogen 2.792 N/A VAL 114.A N ASN 110.A O no hydrogen 2.247 N/A ILE 115.A N ARG 111.A O no hydrogen 2.338 N/A CYS 120.A SG ILE 115.A O no hydrogen 3.943 N/A CYS 120.A SG LEU 118.A O no hydrogen 3.038 N/A TYR 122.A OH ASN 117.A O no hydrogen 2.172 N/A TYR 122.A OH TYR 121.A OH no hydrogen 3.322 N/A ARG 125.A NH2 THR 82.A OG1 no hydrogen 2.125 N/A LEU 134.A N ASN 131.A OD1 no hydrogen 3.097 N/A TRP 135.A N ASN 131.A O no hydrogen 2.612 N/A PHE 136.A N ALA 132.A O no hydrogen 2.325 N/A TYR 137.A N LYS 133.A O no hydrogen 2.065 N/A TYR 139.A OH VAL 107.A O no hydrogen 3.192 N/A LEU 140.A N PHE 136.A O no hydrogen 2.416 N/A SER 141.A N TYR 137.A O no hydrogen 3.106 N/A SER 141.A OG ILE 138.A O no hydrogen 2.168 N/A HIS 142.A N ILE 138.A O no hydrogen 3.116 N/A GLU 143.A N TYR 139.A O no hydrogen 2.613 N/A THR 144.A N SER 141.A O no hydrogen 2.579 N/A THR 144.A OG1 SER 141.A O no hydrogen 2.533 N/A THR 144.A OG1 HIS 142.A O no hydrogen 3.147 N/A LEU 145.A N HIS 142.A O no hydrogen 2.600 N/A SER 149.A N ALA 146.A O no hydrogen 3.475 N/A SER 154.A N ASN 156.A OD1 no hydrogen 3.214 N/A ILE 159.A N ASP 155.A O no hydrogen 2.821 N/A ILE 160.A N ASN 156.A O no hydrogen 2.173 N/A LEU 161.A N GLN 157.A O no hydrogen 2.239 N/A ARG 162.A N ASN 158.A O no hydrogen 2.656 N/A ARG 162.A NE ASP 191.A OD2 no hydrogen 3.477 N/A SER 163.A N ILE 159.A O no hydrogen 2.675 N/A THR 164.A N ILE 160.A O no hydrogen 2.107 N/A THR 164.A OG1 ILE 160.A O no hydrogen 2.590 N/A MET 165.A N LEU 161.A O no hydrogen 2.230 N/A MET 166.A N ARG 162.A O no hydrogen 2.323 N/A LYS 167.A N SER 163.A O no hydrogen 2.261 N/A PHE 168.A N THR 164.A O no hydrogen 2.832 N/A LEU 169.A N MET 165.A O no hydrogen 2.456 N/A LYS 170.A N MET 166.A O no hydrogen 2.294 N/A ILE 171.A N LYS 167.A O no hydrogen 2.896 N/A ALA 172.A N PHE 168.A O no hydrogen 1.991 N/A SER 173.A N ASP 177.A OD2 no hydrogen 3.262 N/A SER 173.A OG ASP 177.A OD2 no hydrogen 2.026 N/A ASN 178.A ND2 PRO 211.A O no hydrogen 2.860 N/A LYS 181.A N ASN 178.A O no hydrogen 2.354 N/A MET 183.A N THR 180.A O no hydrogen 2.958 N/A ILE 185.A N LYS 181.A O no hydrogen 3.230 N/A ASN 186.A N ALA 182.A O no hydrogen 2.113 N/A LEU 187.A N MET 183.A O no hydrogen 2.232 N/A ILE 188.A N LEU 184.A O no hydrogen 2.807 N/A LEU 189.A N ILE 185.A O no hydrogen 2.170 N/A ARG 190.A N ASN 186.A O no hydrogen 2.523 N/A ARG 190.A NH1 GLU 143.A OE1 no hydrogen 3.559 N/A ASP 191.A N LEU 187.A O no hydrogen 2.252 N/A PHE 192.A N ILE 188.A O no hydrogen 2.472 N/A LEU 193.A N LEU 189.A O no hydrogen 2.533 N/A ASN 194.A N ASP 191.A O no hydrogen 2.960 N/A ASN 195.A N ASP 191.A O no hydrogen 3.124 N/A GLY 196.A N PHE 192.A O no hydrogen 2.224 N/A SER 200.A OG VAL 198.A O no hydrogen 3.227 N/A ALA 201.A N VAL 198.A O no hydrogen 2.085 N/A SER 202.A N ASP 199.A O no hydrogen 2.673 N/A PHE 204.A N SER 200.A O no hydrogen 2.283 N/A ILE 205.A N ALA 201.A O no hydrogen 2.090 N/A SER 206.A N SER 202.A O no hydrogen 2.286 N/A SER 206.A OG ASP 203.A O no hydrogen 2.055 N/A LYS 207.A N ASP 203.A O no hydrogen 3.073 N/A LYS 207.A NZ ALA 172.A O no hydrogen 3.554 N/A LEU 208.A N PHE 204.A O no hydrogen 3.258 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.390 N/A THR 213.A OG1 ASP 214.A OD1 no hydrogen 2.863 N/A LEU 219.A N SER 216.A OG no hydrogen 3.263 N/A GLU 220.A N SER 216.A O no hydrogen 2.936 N/A ALA 221.A N SER 217.A O no hydrogen 2.295 N/A ARG 222.A N SER 218.A O no hydrogen 2.301 N/A TYR 223.A N LEU 219.A O no hydrogen 2.244 N/A TYR 223.A OH LEU 208.A O no hydrogen 3.270 N/A PHE 224.A N GLU 220.A O no hydrogen 3.336 N/A PHE 225.A N ALA 221.A O no hydrogen 2.651 N/A TYR 226.A N ARG 222.A O no hydrogen 3.254 N/A LEU 227.A N TYR 223.A O no hydrogen 2.584 N/A SER 228.A N PHE 224.A O no hydrogen 2.233 N/A SER 228.A OG PHE 224.A O no hydrogen 2.838 N/A SER 228.A OG ALA 240.A O no hydrogen 2.817 N/A LYS 229.A N PHE 225.A O no hydrogen 3.245 N/A ILE 230.A N TYR 226.A O no hydrogen 2.892 N/A ASN 231.A ND2 TYR 243.A OH no hydrogen 3.566 N/A ALA 232.A N SER 228.A O no hydrogen 2.879 N/A GLN 234.A N ILE 230.A O no hydrogen 2.876 N/A LEU 235.A N ALA 232.A O no hydrogen 2.891 N/A THR 239.A N ASP 236.A OD1 no hydrogen 3.061 N/A THR 239.A OG1 ASP 236.A OD1 no hydrogen 3.263 N/A THR 239.A OG1 ASP 236.A OD2 no hydrogen 2.526 N/A THR 239.A OG1 GLU 242.A OE1 no hydrogen 3.372 N/A ASN 241.A N TYR 237.A O no hydrogen 2.450 N/A GLU 242.A N SER 238.A O no hydrogen 2.174 N/A TYR 243.A N THR 239.A O no hydrogen 2.532 N/A ILE 244.A N ALA 240.A O no hydrogen 2.870 N/A ILE 245.A N ASN 241.A O no hydrogen 2.117 N/A ALA 247.A N ILE 244.A O no hydrogen 2.553 N/A ILE 248.A N ILE 244.A O no hydrogen 3.194 N/A LYS 250.A NZ ILE 244.A O no hydrogen 2.317 N/A HIS 253.A N ALA 251.A O no hydrogen 2.346 N/A SER 257.A OG HIS 253.A O no hydrogen 2.064 N/A LEU 258.A N SER 255.A O no hydrogen 3.151 N/A LEU 261.A N LYS 256.A O no hydrogen 2.786 N/A GLN 262.A NE2 SER 287.A O no hydrogen 2.497 N/A SER 264.A N PHE 260.A O no hydrogen 3.159 N/A SER 264.A OG PHE 260.A O no hydrogen 3.395 N/A ASN 265.A N LEU 261.A O no hydrogen 2.456 N/A LYS 266.A N GLN 262.A O no hydrogen 2.191 N/A LEU 267.A N GLN 263.A O no hydrogen 2.886 N/A HIS 268.A N SER 264.A O no hydrogen 2.820 N/A CYS 269.A N ASN 265.A O no hydrogen 2.721 N/A CYS 269.A SG ASN 265.A O no hydrogen 3.145 N/A CYS 270.A N LYS 266.A O no hydrogen 3.399 N/A CYS 270.A SG LYS 266.A O no hydrogen 3.094 N/A ILE 271.A N LEU 267.A O no hydrogen 3.208 N/A ILE 271.A N HIS 268.A O no hydrogen 2.932 N/A GLN 272.A N GLN 272.A OE1 no hydrogen 2.686 N/A LEU 273.A N CYS 269.A O no hydrogen 3.443 N/A LEU 274.A N CYS 270.A O no hydrogen 2.732 N/A MET 275.A N ILE 271.A O no hydrogen 2.646 N/A GLY 276.A N LEU 273.A O no hydrogen 2.678 N/A ASP 277.A N GLN 272.A O no hydrogen 2.398 N/A HIS 285.A N LEU 281.A O no hydrogen 2.198 N/A GLN 286.A N PHE 283.A O no hydrogen 2.347 N/A ASN 288.A ND2 GLN 286.A O no hydrogen 2.092 N/A SER 292.A OG GLN 262.A OE1 no hydrogen 2.434 N/A TYR 296.A N LEU 293.A O no hydrogen 2.253 N/A HIS 298.A N LEU 294.A O no hydrogen 2.197 N/A HIS 298.A ND1 LEU 294.A O no hydrogen 2.650 N/A LEU 299.A N PRO 295.A O no hydrogen 2.252 N/A THR 300.A N TYR 296.A O no hydrogen 2.254 N/A THR 300.A OG1 TYR 296.A O no hydrogen 2.740 N/A LYS 301.A N TYR 297.A O no hydrogen 2.103 N/A ALA 302.A N HIS 298.A O no hydrogen 2.546 N/A VAL 303.A N LEU 299.A O no hydrogen 2.140 N/A LYS 304.A N THR 300.A O no hydrogen 2.287 N/A GLY 306.A N ALA 302.A O no hydrogen 2.083 N/A PHE 311.A N ASP 307.A O no hydrogen 2.255 N/A THR 312.A N LEU 308.A O no hydrogen 2.344 N/A THR 312.A OG1 LEU 308.A O no hydrogen 2.530 N/A SER 313.A N LYS 309.A O no hydrogen 2.709 N/A SER 313.A OG LYS 309.A O no hydrogen 3.458 N/A SER 313.A OG LYS 310.A O no hydrogen 2.160 N/A THR 314.A N LYS 310.A O no hydrogen 3.394 N/A THR 314.A OG1 LYS 310.A O no hydrogen 3.567 N/A ILE 315.A N PHE 311.A O no hydrogen 3.407 N/A THR 316.A N THR 312.A O no hydrogen 2.319 N/A THR 316.A OG1 THR 312.A O no hydrogen 2.665 N/A LYS 317.A N SER 313.A O no hydrogen 2.422 N/A LYS 317.A NZ TYR 318.A OH no hydrogen 3.167 N/A TYR 318.A N THR 314.A O no hydrogen 2.408 N/A LYS 319.A N ILE 315.A O no hydrogen 2.329 N/A LEU 322.A N TYR 318.A O no hydrogen 2.561 N/A LEU 323.A N LYS 319.A O no hydrogen 2.238 N/A LYS 324.A N GLN 320.A O no hydrogen 2.255 N/A ASP 325.A N LEU 321.A O no hydrogen 2.825 N/A ASP 326.A N LEU 323.A O no hydrogen 2.957 N/A THR 327.A N LEU 322.A O no hydrogen 2.813 N/A THR 327.A OG1 LEU 322.A O no hydrogen 3.336 N/A GLN 329.A N GLN 329.A OE1 no hydrogen 2.289 N/A GLN 329.A NE2 ASP 326.A O no hydrogen 2.684 N/A LEU 330.A N THR 327.A O no hydrogen 3.089 N/A VAL 332.A N LEU 330.A O no hydrogen 2.530 N/A VAL 338.A N LEU 334.A O no hydrogen 2.929 N/A ILE 339.A N ARG 335.A O no hydrogen 3.376 N/A LYS 340.A N SER 336.A O no hydrogen 2.321 N/A LYS 340.A NZ ASN 337.A OD1 no hydrogen 2.686 N/A THR 341.A N ASN 337.A O no hydrogen 2.647 N/A THR 341.A OG1 ASN 337.A O no hydrogen 2.613 N/A GLY 342.A N VAL 338.A O no hydrogen 2.489 N/A ILE 343.A N ILE 339.A O no hydrogen 2.891 N/A ARG 344.A N LYS 340.A O no hydrogen 3.110 N/A ARG 344.A NH1 VAL 382.A O no hydrogen 3.405 N/A ILE 345.A N GLY 342.A O no hydrogen 2.592 N/A ILE 346.A N ILE 343.A O no hydrogen 3.069 N/A LEU 348.A N ARG 344.A O no hydrogen 3.287 N/A ILE 353.A N ILE 394.A O no hydrogen 2.563 N/A SER 354.A OG GLY 392.A O no hydrogen 2.941 N/A LEU 355.A N GLY 392.A O no hydrogen 2.829 N/A ILE 358.A N SER 354.A O no hydrogen 3.248 N/A CYS 359.A N LEU 355.A O no hydrogen 2.269 N/A CYS 359.A SG LEU 355.A O no hydrogen 3.056 N/A LYS 361.A N ASP 357.A O no hydrogen 2.916 N/A ASN 363.A N CYS 359.A O no hydrogen 1.941 N/A ASP 365.A N LEU 362.A O no hydrogen 2.306 N/A SER 366.A OG THR 369.A OG1 no hydrogen 2.285 N/A THR 369.A OG1 SER 366.A OG no hydrogen 2.285 N/A MET 373.A N THR 369.A O no hydrogen 2.094 N/A VAL 374.A N VAL 370.A O no hydrogen 2.370 N/A SER 375.A N GLU 371.A O no hydrogen 2.801 N/A SER 375.A OG GLU 371.A O no hydrogen 2.813 N/A ARG 376.A N TYR 372.A O no hydrogen 2.097 N/A ALA 377.A N MET 373.A O no hydrogen 2.837 N/A ILE 378.A N VAL 374.A O no hydrogen 2.312 N/A ARG 379.A N SER 375.A O no hydrogen 2.563 N/A ASP 380.A N ALA 377.A O no hydrogen 3.193 N/A GLY 381.A N ILE 378.A O no hydrogen 3.085 N/A LYS 386.A N GLU 395.A O no hydrogen 2.144 N/A PHE 393.A N ASN 388.A O no hydrogen 3.279 N/A ILE 394.A N ILE 353.A O no hydrogen 2.711 N/A GLU 395.A N LYS 386.A O no hydrogen 2.190 N/A THR 396.A OG1 LEU 348.A O no hydrogen 2.341 N/A THR 396.A OG1 LYS 352.A O no hydrogen 3.310 N/A THR 397.A N GLU 384.A O no hydrogen 2.981 N/A THR 397.A OG1 GLU 384.A O no hydrogen 2.304 N/A SER 405.A OG ASP 407.A OD1 no hydrogen 3.103 N/A GLN 410.A N GLU 406.A O no hydrogen 2.446 N/A VAL 411.A N ASP 407.A O no hydrogen 3.383 N/A ASP 413.A N GLN 409.A O no hydrogen 2.795 N/A GLU 414.A N GLN 410.A O no hydrogen 2.889 N/A ARG 415.A N VAL 411.A O no hydrogen 3.030 N/A ILE 416.A N PHE 412.A O no hydrogen 2.177 N/A LYS 417.A N ASP 413.A O no hydrogen 2.325 N/A PHE 418.A N GLU 414.A O no hydrogen 3.100 N/A PHE 418.A N ARG 415.A O no hydrogen 2.512 N/A ALA 419.A N ILE 416.A O no hydrogen 2.614 N/A GLN 421.A N PHE 418.A O no hydrogen 2.545 N/A ASP 424.A N ASN 420.A O no hydrogen 2.131 N/A GLU 425.A N GLN 421.A O no hydrogen 3.268 N/A TYR 426.A N LEU 422.A O no hydrogen 2.200 N/A VAL 428.A N ASP 424.A O no hydrogen 3.107 N/A SER 429.A N GLU 425.A O no hydrogen 2.982 N/A SER 429.A OG GLU 425.A O no hydrogen 2.827 N/A SER 429.A OG TYR 426.A O no hydrogen 2.925 N/A MET 430.A N LEU 427.A O no hydrogen 3.303 N/A ASP 435.A N ARG 431.A O no hydrogen 2.662 N/A LYS 436.A N TYR 432.A O no hydrogen 3.222 N/A LYS 437.A N PRO 433.A O no hydrogen 3.118 N/A LYS 437.A N GLU 434.A O no hydrogen 3.229 N/A THR 438.A OG1 ASP 435.A O no hydrogen 2.210 N/A