==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-NOV-07 3BDL . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE DOMAIN-CONTAINING . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.L.LI . 537 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 362 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 23.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 37 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 3 0 0 0 0 3 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 6 1 3 7 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 314 A M 0 0 111 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.0 4.7 -42.8 -2.6 2 315 A D - 0 0 127 1,-0.1 79,-0.1 2,-0.1 3,-0.1 -0.386 360.0-122.8 -78.6 160.2 8.0 -44.9 -2.7 3 316 A K S S+ 0 0 120 1,-0.2 78,-3.1 77,-0.1 2,-0.4 0.834 96.9 33.3 -71.2 -34.0 11.0 -44.1 -0.6 4 317 A Q E S+A 80 0A 133 76,-0.2 2,-0.3 2,-0.0 76,-0.2 -0.971 70.8 138.1-128.5 142.2 13.2 -43.7 -3.6 5 318 A F E -A 79 0A 32 74,-1.9 74,-3.0 -2,-0.4 2,-0.4 -0.978 44.1-118.8-169.4 163.5 12.6 -42.4 -7.1 6 319 A V E +A 78 0A 59 -2,-0.3 17,-0.4 72,-0.2 2,-0.3 -0.941 41.7 169.8-110.2 135.3 13.9 -40.3 -10.0 7 320 A A E -A 77 0A 2 70,-2.0 70,-2.9 -2,-0.4 2,-0.4 -0.982 34.4-108.9-147.7 158.0 11.7 -37.3 -10.8 8 321 A K E -AB 76 21A 81 13,-1.9 13,-2.1 -2,-0.3 2,-0.5 -0.751 32.5-122.1 -93.1 130.2 11.7 -34.1 -13.0 9 322 A V E + B 0 20A 0 66,-3.0 65,-2.2 -2,-0.4 11,-0.2 -0.575 33.9 171.1 -73.8 120.3 11.9 -30.7 -11.2 10 323 A M E + 0 0 13 9,-3.2 2,-0.3 -2,-0.5 10,-0.2 0.636 64.7 0.6-102.4 -21.9 8.9 -28.6 -12.2 11 324 A Q E - B 0 19A 61 8,-1.2 8,-2.6 61,-0.0 2,-0.7 -0.945 59.2-130.2-167.0 143.5 9.3 -25.7 -9.8 12 325 A V E - B 0 18A 2 -2,-0.3 2,-1.4 6,-0.2 6,-0.3 -0.916 21.7-151.7-101.0 117.7 11.6 -24.5 -7.1 13 326 A L E >> - B 0 17A 63 4,-2.3 4,-0.9 -2,-0.7 3,-0.8 -0.693 54.5 -73.2 -91.7 83.4 9.5 -23.5 -4.1 14 327 A N T 34 S- 0 0 70 -2,-1.4 54,-0.1 1,-0.2 55,-0.1 -0.466 91.8 -37.3 67.0-124.0 11.7 -20.9 -2.5 15 328 A A T 34 S+ 0 0 0 -2,-0.3 -1,-0.2 23,-0.1 3,-0.1 0.576 132.7 35.9-116.3 -9.2 14.8 -22.3 -0.8 16 329 A D T <4 S+ 0 0 23 -3,-0.8 16,-2.5 1,-0.1 2,-0.3 0.360 108.7 52.7-125.7 4.5 14.0 -25.6 0.9 17 330 A A E < -BC 13 31A 0 -4,-0.9 -4,-2.3 14,-0.2 2,-0.3 -0.990 49.4-173.6-145.6 153.3 11.5 -27.3 -1.4 18 331 A I E -BC 12 30A 2 12,-2.3 12,-3.0 -2,-0.3 2,-0.5 -0.915 23.3-128.6-137.0 161.4 10.9 -28.3 -5.0 19 332 A V E -BC 11 29A 18 -8,-2.6 -9,-3.2 -2,-0.3 -8,-1.2 -0.966 30.7-171.0-113.4 127.3 7.9 -29.7 -6.9 20 333 A V E -BC 9 28A 0 8,-2.9 8,-2.4 -2,-0.5 2,-0.6 -0.853 20.2-134.9-120.4 157.2 8.7 -32.9 -8.9 21 334 A K E -BC 8 27A 60 -13,-2.1 -13,-1.9 -2,-0.3 6,-0.2 -0.953 24.4-145.3-111.7 120.8 6.8 -34.9 -11.5 22 335 A L > - 0 0 28 4,-3.0 3,-1.5 -2,-0.6 -15,-0.1 -0.267 28.2-105.5 -78.9 167.5 6.9 -38.7 -11.0 23 336 A N T 3 S+ 0 0 153 -17,-0.4 -1,-0.1 1,-0.3 -16,-0.1 0.776 121.5 62.0 -63.1 -26.0 6.9 -41.3 -13.8 24 337 A S T 3 S- 0 0 83 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.689 120.0-110.9 -72.5 -19.3 3.3 -42.0 -12.9 25 338 A G S < S+ 0 0 31 -3,-1.5 -2,-0.1 1,-0.4 2,-0.1 0.289 76.8 128.1 105.2 -8.8 2.5 -38.4 -13.8 26 339 A D - 0 0 98 -5,-0.1 -4,-3.0 1,-0.0 -1,-0.4 -0.437 53.3-131.3 -80.5 155.5 1.7 -37.2 -10.3 27 340 A Y E -C 21 0A 96 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.864 22.0-173.0-108.1 142.9 3.3 -34.1 -8.8 28 341 A K E -C 20 0A 76 -8,-2.4 -8,-2.9 -2,-0.4 2,-0.6 -0.998 21.4-136.8-136.9 138.3 4.9 -34.1 -5.3 29 342 A T E -C 19 0A 66 -2,-0.4 2,-0.5 -10,-0.2 72,-0.4 -0.853 27.8-167.8 -94.1 124.9 6.3 -31.3 -3.2 30 343 A I E -C 18 0A 0 -12,-3.0 -12,-2.3 -2,-0.6 2,-0.3 -0.960 7.5-157.3-119.4 127.4 9.5 -32.4 -1.6 31 344 A H E -Cd 17 102A 19 70,-2.8 72,-2.9 -2,-0.5 2,-0.5 -0.735 29.0-106.9-100.3 151.6 11.4 -30.6 1.2 32 345 A L E > - d 0 103A 7 -16,-2.5 3,-1.1 -2,-0.3 72,-0.2 -0.656 40.9-114.8 -80.5 123.5 15.1 -31.0 1.8 33 346 A S T 3 S+ 0 0 1 70,-2.3 72,-0.1 -2,-0.5 3,-0.1 -0.261 84.6 2.2 -64.8 140.8 15.8 -33.1 4.9 34 347 A S T 3 S+ 0 0 0 1,-0.2 91,-2.3 99,-0.1 2,-0.3 0.646 105.8 98.0 61.3 24.2 17.5 -31.6 8.0 35 348 A I E < -G 124 0B 9 -3,-1.1 89,-0.2 89,-0.3 -1,-0.2 -0.948 55.8-148.8-135.9 158.1 17.8 -28.0 6.7 36 349 A R E -G 123 0B 102 87,-2.4 87,-2.2 -2,-0.3 3,-0.1 -0.984 19.4-130.1-124.7 137.3 15.9 -24.8 7.2 37 350 A P - 0 0 8 0, 0.0 85,-0.2 0, 0.0 24,-0.1 -0.336 49.2 -75.2 -78.0 167.6 15.7 -22.1 4.5 38 351 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 -23,-0.1 -0.417 61.6-178.7 -64.1 142.3 16.5 -18.5 5.6 39 352 A R - 0 0 85 2,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.974 37.5-138.7-140.6 154.8 13.6 -17.1 7.6 40 353 A L > + 0 0 45 -2,-0.3 3,-2.3 2,-0.1 2,-0.1 0.244 54.9 140.4 -96.3 13.2 12.7 -13.8 9.3 41 354 A E T 3 + 0 0 95 1,-0.3 -2,-0.1 3,-0.0 3,-0.1 -0.365 69.7 24.4 -58.4 125.1 11.2 -15.6 12.3 42 355 A G T 3 S+ 0 0 89 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.235 103.8 98.3 103.7 -14.2 12.2 -13.7 15.4 43 356 A E S < S- 0 0 142 -3,-2.3 2,-0.4 2,-0.0 -1,-0.3 -0.830 74.8-116.6-108.9 147.7 12.8 -10.3 13.7 44 357 A N + 0 0 116 -2,-0.3 3,-0.1 1,-0.1 -3,-0.0 -0.661 30.0 174.1 -83.9 133.1 10.4 -7.4 13.5 45 358 A T > + 0 0 41 -2,-0.4 3,-2.3 1,-0.1 -1,-0.1 -0.117 30.7 132.3-129.2 37.0 9.2 -6.5 10.0 46 359 A Q G > + 0 0 136 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.794 69.9 67.3 -59.5 -27.0 6.6 -3.8 10.7 47 360 A D G 3 S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.697 106.1 42.5 -65.5 -17.7 8.3 -1.7 8.0 48 361 A K G X> S+ 0 0 64 -3,-2.3 3,-2.4 4,-0.0 4,-1.1 0.124 80.5 158.9-113.8 17.2 7.0 -4.3 5.6 49 362 A N T <4 S- 0 0 91 -3,-1.7 -3,-0.1 1,-0.3 0, 0.0 -0.187 79.4 -14.4 -47.9 125.8 3.5 -4.8 7.0 50 363 A K T 34 S+ 0 0 218 1,-0.2 -1,-0.3 2,-0.0 -4,-0.0 0.742 132.6 71.9 46.0 33.6 1.3 -6.3 4.4 51 364 A K T <4 + 0 0 122 -3,-2.4 2,-0.3 0, 0.0 -2,-0.2 0.186 63.6 128.1-150.4 5.4 3.9 -5.5 1.7 52 365 A L < - 0 0 57 -4,-1.1 -2,-0.0 -7,-0.1 -4,-0.0 -0.546 38.6-166.1 -75.1 131.4 6.5 -8.1 2.6 53 366 A R >> - 0 0 76 -2,-0.3 4,-3.1 1,-0.1 3,-1.5 -0.913 7.9-157.0-120.3 98.8 7.7 -10.3 -0.3 54 367 A P H 3> S+ 0 0 60 0, 0.0 4,-2.1 0, 0.0 7,-0.2 0.840 88.4 60.3 -40.9 -49.8 9.6 -13.3 1.1 55 368 A L H 34 S+ 0 0 23 1,-0.2 7,-0.2 2,-0.2 10,-0.1 0.840 122.4 22.1 -52.8 -37.2 11.6 -13.9 -2.1 56 369 A Y H <4 S+ 0 0 16 -3,-1.5 108,-0.6 5,-0.1 -1,-0.2 0.703 125.5 48.9-105.4 -23.6 13.1 -10.5 -2.0 57 370 A D H < S+ 0 0 33 -4,-3.1 -2,-0.2 106,-0.1 -1,-0.1 0.656 87.3 85.7 -94.9 -17.3 12.9 -9.5 1.6 58 371 A I S >X S- 0 0 23 -4,-2.1 3,-2.2 -5,-0.3 4,-0.6 -0.737 93.9-100.1 -86.9 128.9 14.2 -12.5 3.5 59 372 A P T 34 S- 0 0 37 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.212 100.1 -8.1 -49.4 125.5 18.1 -12.4 3.8 60 373 A Y T 3> S+ 0 0 27 102,-0.4 4,-2.2 -4,-0.1 5,-0.1 0.488 98.1 118.9 64.0 6.8 19.7 -14.6 1.1 61 374 A M H <> S+ 0 0 4 -3,-2.2 4,-2.8 2,-0.2 5,-0.2 0.906 76.2 47.9 -67.8 -41.8 16.3 -16.1 0.0 62 375 A F H X S+ 0 0 32 -4,-0.6 4,-2.8 2,-0.2 5,-0.2 0.943 111.7 50.4 -63.7 -46.6 16.7 -14.8 -3.5 63 376 A E H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.902 113.3 46.2 -57.6 -43.1 20.3 -16.1 -3.7 64 377 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.927 112.4 49.1 -66.5 -46.2 19.1 -19.5 -2.5 65 378 A R H X S+ 0 0 5 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.917 113.4 47.6 -60.8 -43.2 16.1 -19.7 -4.8 66 379 A E H X S+ 0 0 22 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.867 108.5 53.9 -67.3 -37.1 18.3 -18.7 -7.8 67 380 A F H X S+ 0 0 48 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.962 115.6 40.2 -60.8 -49.7 21.0 -21.2 -6.9 68 381 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.5 0.908 114.7 52.1 -64.5 -44.8 18.4 -24.0 -6.9 69 382 A R H X S+ 0 0 3 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.945 111.0 45.3 -59.1 -51.8 16.5 -22.8 -9.9 70 383 A K H < S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.846 119.7 42.4 -62.6 -34.4 19.5 -22.5 -12.2 71 384 A K H < S+ 0 0 70 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.796 129.0 20.3 -84.5 -27.4 20.8 -25.9 -11.1 72 385 A L H >< S+ 0 0 1 -4,-2.5 3,-3.0 -5,-0.1 -63,-0.4 0.736 76.8 120.1-116.3 -29.6 17.5 -27.9 -11.0 73 386 A I T 3< S+ 0 0 21 -4,-2.0 -63,-0.2 -5,-0.5 3,-0.1 -0.161 96.0 1.2 -48.4 123.3 14.6 -26.5 -13.1 74 387 A G T 3 S+ 0 0 24 -65,-2.2 -1,-0.3 1,-0.3 2,-0.2 0.494 107.6 121.6 77.9 4.5 13.6 -29.0 -15.7 75 388 A K < - 0 0 103 -3,-3.0 -66,-3.0 -66,-0.1 2,-0.6 -0.589 66.3-113.8-100.7 162.1 16.2 -31.6 -14.6 76 389 A K E -A 8 0A 128 -68,-0.2 2,-0.3 -2,-0.2 -68,-0.2 -0.829 36.4-169.2 -95.1 121.3 15.9 -35.2 -13.3 77 390 A V E -A 7 0A 0 -70,-2.9 -70,-2.0 -2,-0.6 2,-0.5 -0.805 22.5-123.7-111.8 153.9 16.9 -35.6 -9.7 78 391 A N E -AE 6 106A 92 28,-3.2 28,-2.7 -2,-0.3 2,-0.4 -0.840 33.6-163.6 -95.0 126.3 17.5 -38.7 -7.5 79 392 A V E +AE 5 105A 2 -74,-3.0 -74,-1.9 -2,-0.5 2,-0.4 -0.917 20.5 177.0-120.0 140.6 15.3 -38.7 -4.4 80 393 A T E -AE 4 104A 33 24,-2.0 24,-3.0 -2,-0.4 2,-0.4 -0.949 27.2-136.6-138.5 111.6 15.4 -40.7 -1.2 81 394 A V E + E 0 103A 14 -78,-3.1 22,-0.3 -2,-0.4 3,-0.1 -0.562 22.4 179.1 -72.4 125.8 12.8 -39.8 1.4 82 395 A D E - 0 0 29 20,-2.5 2,-0.3 -2,-0.4 21,-0.2 0.824 59.0 -22.5 -96.2 -37.9 14.3 -39.6 4.9 83 396 A Y E - E 0 102A 14 19,-2.0 19,-2.7 50,-0.1 2,-0.4 -0.984 51.8-126.9-166.1 166.1 11.4 -38.7 7.1 84 397 A I E - E 0 101A 75 -2,-0.3 17,-0.2 17,-0.2 3,-0.1 -0.987 11.6-152.2-128.9 125.9 7.9 -37.1 7.2 85 398 A R E - E 0 100A 103 15,-2.8 15,-2.6 -2,-0.4 3,-0.2 -0.848 8.9-150.4 -95.0 123.7 6.8 -34.3 9.5 86 399 A P S S+ 0 0 104 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.884 85.1 10.3 -60.3 -37.5 3.0 -34.5 10.2 87 400 A A S S- 0 0 41 12,-0.1 12,-0.2 10,-0.1 10,-0.1 -0.956 80.4-123.6-148.5 123.7 2.9 -30.7 10.7 88 401 A S - 0 0 16 10,-2.1 10,-0.3 -2,-0.3 5,-0.0 -0.366 9.9-149.7 -65.1 140.1 5.5 -28.1 9.9 89 402 A P + 0 0 92 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.457 56.0 126.0 -89.8 -1.7 6.5 -25.9 12.9 90 403 A A - 0 0 12 1,-0.1 3,-0.1 2,-0.1 -2,-0.0 -0.260 67.3-128.1 -56.5 142.9 7.3 -22.9 10.6 91 404 A T S S+ 0 0 95 1,-0.2 2,-0.7 0, 0.0 -1,-0.1 0.914 98.0 49.3 -60.4 -44.9 5.4 -19.8 11.6 92 405 A E S S+ 0 0 155 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.869 74.2 139.2-103.9 110.0 4.1 -19.2 8.1 93 406 A T - 0 0 31 -2,-0.7 4,-0.0 -3,-0.1 0, 0.0 -0.961 46.7-113.8-142.6 159.3 2.5 -22.3 6.5 94 407 A V S S+ 0 0 135 -2,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.943 101.3 21.1-141.1 113.5 -0.6 -23.0 4.3 95 408 A P S S- 0 0 83 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.589 93.5-117.3 -78.3-169.0 -2.6 -24.6 5.7 96 409 A A S S+ 0 0 76 1,-0.2 2,-0.6 -2,-0.2 -2,-0.1 0.739 112.1 44.8 -63.9 -24.9 -2.0 -24.3 9.4 97 410 A F S S+ 0 0 170 -10,-0.1 2,-0.5 2,-0.0 -1,-0.2 -0.925 79.9 169.2-121.8 100.9 -1.3 -28.0 9.6 98 411 A S - 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