==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-AUG-99 1CQY . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR H.J.YOON,A.HIRATA,M.ADACHI,A.SEKINE,S.UTSUMI,B.MIKAMI . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 8 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 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 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 3 0 0 0 1 1 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 . 0 0 1 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 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 1 418 A T 0 0 126 0, 0.0 57,-2.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 104.6 29.5 -27.8 9.5 2 419 A P E +A 57 0A 102 0, 0.0 2,-0.3 0, 0.0 53,-0.1 -0.516 360.0 178.4 -76.0 140.6 28.7 -24.1 9.0 3 420 A V E -A 56 0A 17 53,-2.5 53,-3.0 -2,-0.2 2,-0.3 -0.996 28.8-119.4-142.5 135.2 25.3 -23.2 7.8 4 421 A M E -A 55 0A 78 -2,-0.3 2,-0.3 51,-0.3 51,-0.2 -0.592 35.3-177.8 -78.4 134.8 23.8 -19.8 7.2 5 422 A Q E -A 54 0A 0 49,-2.8 49,-2.3 -2,-0.3 2,-0.5 -0.937 23.5-132.0-131.7 153.5 20.7 -19.0 9.3 6 423 A T E -Ab 53 94A 29 87,-2.1 89,-2.0 -2,-0.3 2,-0.5 -0.931 17.0-160.6-108.3 125.6 18.3 -16.0 9.5 7 424 A I E -Ab 52 95A 2 45,-2.6 45,-1.7 -2,-0.5 2,-0.4 -0.901 9.7-167.5-104.7 132.5 17.5 -14.7 13.0 8 425 A V E -Ab 51 96A 2 87,-2.9 89,-1.7 -2,-0.5 2,-0.4 -0.984 7.2-172.7-125.8 132.2 14.4 -12.6 13.2 9 426 A V E -Ab 50 97A 0 41,-3.1 41,-2.4 -2,-0.4 3,-0.3 -0.988 10.7-154.2-127.2 125.7 13.3 -10.4 16.1 10 427 A K E + b 0 98A 65 87,-2.7 89,-3.5 -2,-0.4 39,-0.1 -0.673 64.8 15.9-100.4 153.3 9.9 -8.7 16.3 11 428 A N + 0 0 124 37,-0.4 -1,-0.2 -2,-0.3 38,-0.1 0.780 69.1 166.2 62.2 35.3 8.8 -5.6 18.2 12 429 A V - 0 0 5 -3,-0.3 2,-1.1 1,-0.1 -1,-0.2 -0.675 33.7-136.0 -82.2 129.6 12.1 -4.0 19.0 13 430 A P + 0 0 82 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.711 34.3 173.9 -88.0 97.0 11.8 -0.4 20.2 14 431 A T - 0 0 61 -2,-1.1 2,-0.3 4,-0.1 3,-0.1 -0.653 11.1-171.4-101.6 158.8 14.5 1.5 18.4 15 432 A T > - 0 0 83 -2,-0.2 3,-2.6 1,-0.1 0, 0.0 -0.874 46.7 -54.0-139.4 169.6 15.1 5.2 18.3 16 433 A I T 3 S+ 0 0 161 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.154 127.4 21.8 -46.5 136.8 17.5 7.5 16.3 17 434 A G T 3 S+ 0 0 30 1,-0.3 54,-0.9 53,-0.1 -1,-0.3 0.301 97.1 127.4 85.5 -9.4 21.0 6.3 16.7 18 435 A D E < -D 70 0B 24 -3,-2.6 2,-0.4 52,-0.2 -1,-0.3 -0.591 34.6-176.5 -88.1 145.2 20.0 2.7 17.6 19 436 A T E -D 69 0B 42 50,-1.7 50,-2.3 -2,-0.2 2,-0.4 -0.993 20.6-134.1-136.3 136.6 21.2 -0.5 16.0 20 437 A V E +D 68 0B 3 21,-0.4 21,-2.7 -2,-0.4 2,-0.3 -0.799 30.6 167.8 -98.7 135.9 19.9 -4.0 16.9 21 438 A Y E -DE 67 40B 40 46,-2.5 46,-2.4 -2,-0.4 2,-0.3 -0.827 21.6-144.4-135.1 173.8 22.4 -6.8 17.5 22 439 A I E +DE 66 39B 1 17,-1.5 17,-2.4 44,-0.3 2,-0.3 -0.950 16.2 173.9-140.0 154.4 22.5 -10.3 18.9 23 440 A T E +D 65 0B 0 42,-1.7 42,-2.3 -2,-0.3 2,-0.3 -0.944 7.9 165.5-154.0 161.9 25.1 -12.3 20.8 24 441 A G E -D 64 0B 0 5,-0.6 8,-1.5 2,-0.4 7,-0.3 -0.902 50.9 -65.0-162.0-167.3 25.2 -15.7 22.5 25 442 A N S S+ 0 0 64 38,-2.0 2,-0.2 -2,-0.3 39,-0.1 0.654 98.9 85.8 -70.6 -18.2 27.1 -18.5 24.0 26 443 A R S > >S- 0 0 75 37,-0.4 5,-2.0 1,-0.1 3,-1.9 -0.580 79.6-128.8 -89.4 149.1 28.9 -19.5 20.8 27 444 A A G > 5S+ 0 0 76 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.922 114.6 57.8 -56.9 -42.6 32.1 -18.0 19.4 28 445 A E G 3 5S+ 0 0 84 1,-0.3 -1,-0.3 2,-0.1 27,-0.1 0.650 108.8 47.6 -61.6 -14.2 30.3 -17.6 16.1 29 446 A L G < 5S- 0 0 2 -3,-1.9 -5,-0.6 -5,-0.1 10,-0.3 0.410 124.0-104.3-105.0 -4.3 27.8 -15.5 18.2 30 447 A G T X 5 - 0 0 7 -3,-2.0 3,-0.8 -4,-0.5 7,-0.2 0.378 45.6 -98.2 97.7 -5.3 30.5 -13.5 20.0 31 448 A S T 3 > -C 49 0A 49 5,-3.1 4,-2.0 -2,-0.5 5,-1.2 -0.879 3.0-163.3-102.0 105.9 13.1 -5.0 7.1 45 462 A S T 45S+ 0 0 78 -2,-0.8 -1,-0.1 1,-0.2 5,-0.0 0.745 85.1 54.4 -60.5 -25.8 10.3 -2.6 6.2 46 463 A H T 45S+ 0 0 170 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.962 119.3 28.6 -74.7 -52.6 8.3 -5.3 4.3 47 464 A S T 45S- 0 0 42 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.667 104.3-134.0 -80.2 -17.7 8.1 -8.0 7.0 48 465 A N T <5 + 0 0 99 -4,-2.0 -37,-0.4 1,-0.2 2,-0.3 0.929 67.2 92.8 64.7 48.6 8.3 -5.2 9.6 49 466 A D E -A 2 0A 14 0, 0.0 3,-1.5 0, 0.0 31,-0.4 -0.695 41.7-131.7 -79.0 112.2 27.4 -24.5 13.5 58 475 A A T 3 S+ 0 0 9 -57,-2.7 32,-0.1 -2,-0.7 3,-0.1 -0.327 87.0 20.4 -63.2 142.9 24.8 -27.1 12.4 59 476 A E T 3 S+ 0 0 131 29,-2.8 2,-0.3 1,-0.3 -1,-0.2 0.432 99.3 110.1 77.9 1.8 23.8 -29.7 15.0 60 477 A R < - 0 0 150 -3,-1.5 28,-2.2 28,-0.1 -1,-0.3 -0.842 68.7-121.7-108.9 146.9 25.1 -27.6 18.0 61 478 A N - 0 0 91 -2,-0.3 2,-0.3 26,-0.2 25,-0.2 -0.566 32.9-172.4 -82.8 149.0 22.8 -26.0 20.6 62 479 A I E - F 0 85B 1 23,-1.4 23,-1.7 -2,-0.2 2,-0.4 -0.967 18.1-158.0-142.0 159.6 23.0 -22.3 21.0 63 480 A E E + F 0 84B 77 -2,-0.3 -38,-2.0 21,-0.2 -37,-0.4 -0.991 25.7 158.7-135.6 136.7 21.6 -19.6 23.3 64 481 A F E -DF 24 83B 1 19,-1.9 19,-2.8 -2,-0.4 2,-0.3 -0.956 22.5-159.6-153.6 170.9 21.4 -16.0 22.3 65 482 A K E -D 23 0B 48 -42,-2.3 -42,-1.7 -2,-0.3 2,-0.2 -0.981 19.3-128.9-154.4 146.5 19.7 -12.6 23.0 66 483 A A E -D 22 0B 0 -2,-0.3 13,-3.3 -44,-0.2 2,-0.3 -0.647 28.8-179.1 -96.6 157.5 19.2 -9.5 21.0 67 484 A F E -DG 21 78B 0 -46,-2.4 -46,-2.5 11,-0.3 2,-0.5 -0.974 25.7-118.8-152.1 160.5 20.1 -6.1 22.5 68 485 A I E -DG 20 77B 1 9,-2.4 8,-2.5 -2,-0.3 9,-0.7 -0.916 26.3-175.3-108.4 129.7 20.1 -2.4 21.5 69 486 A K E -DG 19 75B 28 -50,-2.3 -50,-1.7 -2,-0.5 6,-0.3 -0.991 14.8-141.0-126.8 129.5 23.3 -0.4 21.3 70 487 A S E > -D 18 0B 13 4,-3.2 3,-2.0 -2,-0.4 -52,-0.2 -0.348 31.8 -98.0 -84.3 168.1 23.4 3.3 20.5 71 488 A K T 3 S+ 0 0 183 -54,-0.9 -1,-0.1 1,-0.3 -53,-0.1 0.876 120.4 58.3 -51.7 -44.7 25.9 5.1 18.4 72 489 A D T 3 S- 0 0 127 1,-0.1 -1,-0.3 2,-0.1 -55,-0.0 0.578 125.2 -98.2 -66.9 -7.0 28.0 6.2 21.4 73 490 A G S < S+ 0 0 47 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.442 76.9 142.8 104.4 2.2 28.5 2.6 22.3 74 491 A T - 0 0 72 1,-0.0 -4,-3.2 -5,-0.0 2,-0.7 -0.588 46.1-141.2 -80.1 131.0 25.9 2.4 25.0 75 492 A V E -G 69 0B 44 -2,-0.3 -6,-0.3 -6,-0.3 3,-0.1 -0.838 19.3-174.3 -93.0 118.0 23.8 -0.8 25.3 76 493 A K E - 0 0 110 -8,-2.5 2,-0.3 -2,-0.7 -1,-0.2 0.935 55.5 -21.7 -77.4 -52.2 20.3 0.4 26.1 77 494 A S E -G 68 0B 45 -9,-0.7 -9,-2.4 0, 0.0 2,-0.3 -0.979 53.8-128.3-156.8 165.6 18.4 -2.9 26.8 78 495 A W E -G 67 0B 92 -2,-0.3 -11,-0.3 -11,-0.2 -3,-0.0 -0.875 42.6 -86.6-120.3 151.7 18.4 -6.6 26.2 79 496 A Q - 0 0 1 -13,-3.3 20,-0.1 -2,-0.3 -1,-0.1 -0.207 41.8-121.4 -53.1 145.6 15.7 -8.9 24.8 80 497 A T S S+ 0 0 101 1,-0.1 2,-0.4 18,-0.1 -1,-0.1 0.951 89.7 35.2 -58.0 -56.7 13.4 -10.0 27.6 81 498 A I S S- 0 0 109 17,-0.3 2,-0.2 1,-0.0 -1,-0.1 -0.853 84.9-114.7-110.0 140.8 13.8 -13.8 27.3 82 499 A Q - 0 0 91 -2,-0.4 2,-0.2 -17,-0.1 -17,-0.2 -0.451 35.8-146.1 -67.1 134.0 16.9 -15.8 26.4 83 500 A Q E -F 64 0B 38 -19,-2.8 -19,-1.9 -2,-0.2 2,-0.3 -0.589 16.7-173.5-100.4 163.9 16.4 -17.6 23.1 84 501 A S E -F 63 0B 49 -21,-0.2 2,-0.4 -2,-0.2 -21,-0.2 -0.988 22.7-156.8-155.0 158.9 17.7 -20.9 22.0 85 502 A W E -F 62 0B 32 -23,-1.7 -23,-1.4 -2,-0.3 3,-0.3 -0.883 21.5-149.8-139.7 101.1 18.0 -23.3 19.0 86 503 A N S S- 0 0 96 -2,-0.4 -25,-0.1 1,-0.4 2,-0.1 -0.862 85.6 -1.9-116.2 97.9 18.5 -26.9 20.1 87 504 A P S S- 0 0 63 0, 0.0 -1,-0.4 0, 0.0 -26,-0.2 0.706 83.5-120.3-101.0 179.1 20.0 -27.7 17.7 88 505 A V - 0 0 1 -28,-2.2 -29,-2.8 -31,-0.4 -28,-0.1 -0.503 48.0-109.5 -67.4 130.5 20.8 -25.4 14.8 89 506 A P - 0 0 37 0, 0.0 -29,-0.1 0, 0.0 4,-0.1 -0.130 10.8-123.0 -63.0 162.1 19.2 -27.1 11.8 90 507 A L S S+ 0 0 118 -32,-0.1 2,-0.3 2,-0.1 -32,-0.1 0.572 94.9 57.7 -79.5 -11.9 21.2 -28.7 9.0 91 508 A K S S- 0 0 145 -88,-0.1 2,-0.5 0, 0.0 -88,-0.1 -0.857 99.1 -95.3-119.6 155.8 19.5 -26.5 6.4 92 509 A T + 0 0 74 -2,-0.3 2,-0.2 -87,-0.1 -87,-0.2 -0.562 69.1 128.7 -72.0 121.6 19.3 -22.7 6.1 93 510 A T - 0 0 50 -2,-0.5 -87,-2.1 -89,-0.2 2,-0.3 -0.589 48.8 -92.4-147.4-151.5 16.0 -21.7 7.7 94 511 A S E -b 6 0A 57 -2,-0.2 2,-0.4 -89,-0.2 -87,-0.2 -0.972 9.3-147.4-144.8 159.8 15.0 -19.1 10.4 95 512 A H E -b 7 0A 22 -89,-2.0 -87,-2.9 -2,-0.3 2,-0.4 -0.993 22.2-164.5-124.2 125.1 14.4 -18.6 14.1 96 513 A T E +b 8 0A 82 -2,-0.4 2,-0.3 -89,-0.2 -87,-0.2 -0.925 17.7 151.2-117.7 139.8 11.8 -16.1 15.1 97 514 A S E -b 9 0A 9 -89,-1.7 -87,-2.7 -2,-0.4 2,-0.3 -0.963 35.5-117.4-154.9 164.0 11.2 -14.4 18.5 98 515 A S E b 10 0A 70 -2,-0.3 -17,-0.3 -89,-0.2 -87,-0.2 -0.834 360.0 360.0-110.9 150.2 9.8 -11.2 19.9 99 516 A W 0 0 56 -89,-3.5 -20,-0.1 -2,-0.3 -1,-0.1 -0.232 360.0 360.0 -51.4 360.0 11.6 -8.5 21.9