==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JAN-96 1KUL . COMPND 2 MOLECULE: GLUCOAMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIGER; . AUTHOR K.SORIMACHI,A.J.JACKS,M.-F.LE GAL-COEFFET,G.WILLIAMSON, . 108 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 55.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 19.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 21 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 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 PARALLEL BRIDGES PER LADDER . 1 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 509 A a 0 0 57 0, 0.0 4,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 177.5 -3.4 -20.6 -9.1 2 510 A T > - 0 0 114 95,-0.6 4,-0.8 96,-0.1 95,-0.0 -0.477 360.0 -11.1 -79.9 154.2 -1.0 -19.6 -11.9 3 511 A T T 4 S- 0 0 107 -2,-0.1 2,-0.2 2,-0.1 3,-0.1 0.007 132.0 -19.3 46.6-169.1 2.7 -18.9 -11.0 4 512 A P T 4 S- 0 0 71 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.501 102.7 -80.1 -66.9 126.7 3.2 -18.7 -7.3 5 513 A T T 4 - 0 0 23 -2,-0.2 2,-0.4 57,-0.2 58,-0.3 0.061 63.6-161.4 -33.5 83.4 -0.3 -18.1 -5.9 6 514 A A < - 0 0 18 -4,-0.8 2,-0.5 56,-0.3 -4,-0.1 -0.596 10.0-169.8 -77.2 127.0 -0.1 -14.4 -6.8 7 515 A V - 0 0 2 -2,-0.4 2,-0.7 92,-0.2 92,-0.1 -0.937 14.7-146.2-124.1 115.5 -2.6 -12.2 -5.0 8 516 A A - 0 0 9 -2,-0.5 93,-1.1 52,-0.2 2,-0.6 -0.651 19.0-162.3 -79.4 115.7 -3.1 -8.6 -6.0 9 517 A V E -Ab 59 101A 0 50,-2.1 50,-2.3 -2,-0.7 93,-0.2 -0.864 8.2-142.3-103.7 120.6 -3.9 -6.7 -2.8 10 518 A T E -Ab 58 102A 38 91,-1.1 93,-0.9 -2,-0.6 2,-0.6 -0.518 7.3-149.9 -78.2 144.9 -5.5 -3.3 -3.2 11 519 A F E - b 0 103A 0 46,-1.5 2,-0.7 -2,-0.2 93,-0.2 -0.908 15.4-175.6-117.9 105.0 -4.4 -0.6 -0.7 12 520 A D E - b 0 104A 22 91,-0.9 93,-0.6 -2,-0.6 44,-0.2 -0.859 10.8-152.2-105.3 115.8 -7.2 1.9 -0.0 13 521 A L - 0 0 0 -2,-0.7 93,-0.2 91,-0.2 2,-0.2 -0.035 11.4-144.4 -68.4-177.2 -6.3 4.9 2.2 14 522 A T + 0 0 49 91,-0.5 94,-1.7 40,-0.2 93,-0.5 -0.746 57.7 111.5-148.6 81.9 -8.6 6.9 4.4 15 523 A A - 0 0 2 38,-1.9 2,-0.6 -2,-0.2 -2,-0.1 -0.823 53.5-153.7-161.5 119.1 -7.3 10.4 4.2 16 524 A T + 0 0 87 -2,-0.3 2,-0.4 34,-0.1 38,-0.1 -0.141 50.9 141.6 -89.0 43.8 -8.9 13.5 2.6 17 525 A T + 0 0 44 -2,-0.6 -2,-0.1 1,-0.1 91,-0.0 -0.699 15.8 158.5 -87.0 132.1 -5.4 14.9 2.1 18 526 A T + 0 0 126 -2,-0.4 2,-1.2 4,-0.0 -1,-0.1 -0.019 22.8 131.7-143.2 32.8 -4.8 16.8 -1.2 19 527 A Y S S- 0 0 199 1,-0.1 3,-0.1 0, 0.0 -2,-0.0 -0.135 94.6 -85.2 -82.7 45.6 -1.8 19.1 -0.6 20 528 A G S S+ 0 0 63 -2,-1.2 -1,-0.1 1,-0.2 2,-0.1 0.608 99.0 125.4 66.1 6.6 -0.2 18.0 -3.9 21 529 A E - 0 0 72 54,-0.0 2,-0.3 55,-0.0 -1,-0.2 -0.377 47.4-151.5 -89.8 175.0 1.3 15.0 -1.9 22 530 A N E -C 74 0B 51 52,-1.5 52,-1.7 -3,-0.1 2,-0.9 -0.999 13.7-127.4-146.8 143.1 0.8 11.3 -2.9 23 531 A I E -C 73 0B 1 -2,-0.3 20,-1.3 50,-0.2 50,-0.2 -0.779 29.6-176.2 -95.7 110.5 0.7 8.2 -0.8 24 532 A Y E -CD 72 42B 69 48,-1.2 48,-1.2 -2,-0.9 2,-0.3 -0.247 12.4-141.9 -88.8-173.9 3.2 5.6 -2.0 25 533 A L E +CD 71 41B 6 16,-0.8 16,-1.3 12,-0.2 2,-0.2 -0.948 18.7 175.8-153.8 131.8 3.5 2.1 -0.6 26 534 A V E -C 70 0B 0 44,-1.4 44,-1.3 -2,-0.3 2,-0.2 -0.714 18.8-146.0-126.2 174.6 6.4 -0.2 0.1 27 535 A G - 0 0 0 5,-0.9 42,-0.2 -2,-0.2 9,-0.1 -0.808 28.6-102.5-139.9-177.7 6.4 -3.7 1.8 28 536 A S S S+ 0 0 36 40,-0.5 2,-0.3 -2,-0.2 7,-0.1 0.247 101.9 56.8 -90.3 13.9 8.2 -6.2 4.0 29 537 A I S > >S- 0 0 39 39,-0.1 3,-1.7 1,-0.1 5,-1.6 -0.986 98.9-100.9-143.3 152.0 9.2 -8.3 1.0 30 538 A S G > 5S+ 0 0 79 -2,-0.3 3,-2.7 1,-0.3 5,-0.1 0.788 111.5 80.2 -43.4 -28.2 11.2 -7.6 -2.1 31 539 A Q G 3 5S+ 0 0 90 1,-0.3 -1,-0.3 2,-0.2 29,-0.1 0.945 98.9 38.2 -47.7 -51.5 7.9 -7.4 -3.9 32 540 A L G <>5S- 0 0 2 -3,-1.7 -5,-0.9 2,-0.1 4,-0.7 0.012 139.9 -82.7 -89.6 33.0 7.4 -3.8 -2.6 33 541 A G T <45 - 0 0 15 -3,-2.7 2,-2.5 1,-0.2 -3,-0.3 0.731 65.8 -87.9 76.5 21.4 11.1 -3.1 -3.1 34 542 A D T 4 + 0 0 31 10,-0.3 3,-0.8 -2,-0.2 10,-0.1 -0.356 40.5 151.0-142.5 56.9 -7.3 8.0 -5.3 46 554 A D T 3 S+ 0 0 101 1,-0.3 9,-0.1 10,-0.1 -1,-0.1 0.921 89.5 21.9 -59.3 -43.2 -9.9 6.5 -7.7 47 555 A K T 3 S+ 0 0 121 7,-0.5 2,-0.6 8,-0.1 7,-0.5 0.139 105.4 98.8-111.2 21.4 -12.6 6.5 -5.1 48 556 A Y < + 0 0 23 -3,-0.8 8,-0.0 5,-0.3 -34,-0.0 -0.911 39.8 110.5-111.2 114.8 -11.1 9.1 -2.8 49 557 A T S S- 0 0 108 -2,-0.6 -1,-0.1 3,-0.2 -2,-0.1 0.317 87.7 -42.3-143.3 -77.9 -12.5 12.6 -3.3 50 558 A S S S+ 0 0 92 2,-0.1 -34,-0.1 0, 0.0 -2,-0.0 0.587 125.0 44.4-133.9 -44.9 -14.6 14.3 -0.5 51 559 A S S S+ 0 0 119 1,-0.3 -3,-0.1 -35,-0.0 -35,-0.0 0.973 129.9 7.8 -69.6 -80.4 -17.1 11.8 1.0 52 560 A D S S- 0 0 93 -5,-0.2 2,-1.3 2,-0.1 -1,-0.3 -0.853 75.3-161.2-107.8 100.5 -15.1 8.6 1.5 53 561 A P + 0 0 22 0, 0.0 -38,-1.9 0, 0.0 2,-0.5 -0.635 25.6 155.7 -81.1 93.4 -11.4 9.4 0.8 54 562 A L - 0 0 11 -2,-1.3 -7,-0.5 -7,-0.5 -40,-0.2 -0.958 31.8-143.6-123.3 130.9 -9.7 6.1 0.2 55 563 A W - 0 0 13 -2,-0.5 2,-0.3 50,-0.3 -10,-0.3 0.039 22.5-141.8 -74.1-168.9 -6.5 5.8 -1.8 56 564 A Y B +F 44 0C 58 -12,-1.5 -12,-0.9 -44,-0.2 2,-0.3 -0.792 32.1 140.9-166.3 127.7 -6.0 2.8 -4.0 57 565 A V - 0 0 22 -2,-0.3 -46,-1.5 -14,-0.2 2,-0.8 -0.879 27.2-151.5-164.3 132.6 -3.4 0.3 -5.3 58 566 A T E -A 10 0A 75 -48,-0.3 2,-0.6 -2,-0.3 -48,-0.3 -0.844 19.2-176.7-106.4 109.5 -3.2 -3.3 -6.0 59 567 A V E -A 9 0A 7 -50,-2.3 -50,-2.1 -2,-0.8 -27,-0.1 -0.892 29.9-117.5-104.7 125.0 0.3 -4.7 -5.5 60 568 A T - 0 0 66 -2,-0.6 -52,-0.2 -52,-0.3 -54,-0.1 -0.129 30.2-176.3 -54.6 157.5 0.7 -8.4 -6.4 61 569 A L + 0 0 0 -54,-0.1 4,-0.1 -30,-0.0 6,-0.1 -0.473 7.3 178.2-160.3 78.6 1.7 -10.6 -3.5 62 570 A P + 0 0 27 0, 0.0 -56,-0.3 0, 0.0 -57,-0.2 -0.254 51.8 57.2 -80.0 168.2 2.4 -14.3 -4.5 63 571 A A S S- 0 0 47 -58,-0.3 29,-0.2 30,-0.1 31,-0.1 0.973 101.2 -95.0 71.6 80.5 3.5 -17.0 -2.2 64 572 A G + 0 0 7 29,-0.4 2,-0.3 27,-0.1 27,-0.1 0.215 69.5 145.2 -21.4 134.6 0.8 -17.1 0.6 65 573 A E - 0 0 111 27,-0.4 27,-1.8 -4,-0.1 2,-1.4 -0.892 63.3-115.7-178.0 148.2 2.1 -15.0 3.4 66 574 A S E -G 91 0D 59 -2,-0.3 25,-0.3 25,-0.2 -2,-0.1 -0.271 52.9-170.0 -86.7 51.4 1.1 -12.6 6.2 67 575 A F E -G 90 0D 7 -2,-1.4 23,-1.1 23,-1.0 2,-0.5 0.166 16.5-135.6 -36.5 160.9 3.1 -9.9 4.5 68 576 A E + 0 0 104 21,-0.3 -40,-0.5 2,-0.0 21,-0.3 -0.885 30.4 171.2-130.3 101.0 3.7 -6.6 6.4 69 577 A Y - 0 0 1 -2,-0.5 19,-1.7 -42,-0.2 2,-0.3 -0.804 6.8-175.8-112.0 153.5 3.1 -3.5 4.3 70 578 A K E -C 26 0B 6 -44,-1.3 -44,-1.4 -2,-0.3 2,-0.1 -0.941 24.0-107.0-143.3 164.3 3.0 0.2 5.4 71 579 A F E -C 25 0B 31 -2,-0.3 12,-0.6 -46,-0.2 2,-0.3 -0.469 23.6-155.8 -91.2 164.8 2.3 3.6 3.9 72 580 A I E -CE 24 82B 0 -48,-1.2 -48,-1.2 10,-0.2 2,-1.0 -0.999 19.0-128.7-139.2 141.9 4.8 6.4 3.1 73 581 A R E -CE 23 81B 85 8,-1.0 8,-0.9 -2,-0.3 2,-0.6 -0.772 33.3-170.1 -91.1 101.2 4.3 10.2 2.8 74 582 A I E -CE 22 80B 2 -52,-1.7 -52,-1.5 -2,-1.0 6,-0.2 -0.837 7.5-152.0-102.5 121.3 6.0 11.0 -0.6 75 583 A E - 0 0 107 4,-2.5 -55,-0.1 -2,-0.6 -54,-0.0 0.044 52.4 -72.3 -69.9-172.0 6.5 14.6 -1.5 76 584 A S S S+ 0 0 121 2,-0.1 2,-0.1 -55,-0.0 -1,-0.1 0.772 128.9 41.5 -58.0 -17.7 6.6 15.8 -5.2 77 585 A D S S- 0 0 69 2,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.390 113.9 -82.9-113.2-167.4 10.0 14.0 -5.0 78 586 A D S S+ 0 0 112 -2,-0.1 2,-0.3 -4,-0.1 -41,-0.1 0.329 89.9 115.6 -85.2 13.0 11.1 10.8 -3.4 79 587 A S + 0 0 58 -42,-0.1 -4,-2.5 -41,-0.0 2,-0.3 -0.612 48.2 151.9 -77.9 137.0 11.5 12.4 -0.0 80 588 A V E -E 74 0B 40 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.2 -0.927 44.8-122.8-154.4-175.6 9.0 10.8 2.3 81 589 A E E -E 73 0B 111 -8,-0.9 -8,-1.0 -2,-0.3 2,-0.3 -0.698 35.8-154.6-126.8 170.5 7.7 9.7 5.7 82 590 A W E -E 72 0B 75 -10,-0.3 -10,-0.2 -2,-0.2 -11,-0.1 -0.855 30.0 -24.8-144.7-176.1 6.8 6.2 6.6 83 591 A E - 0 0 68 -12,-0.6 -1,-0.2 -2,-0.3 4,-0.1 0.174 51.1-135.8 -25.9 134.2 4.9 3.6 8.6 84 592 A S - 0 0 91 2,-0.2 3,-0.2 -3,-0.1 -14,-0.0 0.377 52.0 -76.5 -69.8-134.8 3.9 4.7 12.0 85 593 A D S S+ 0 0 140 1,-0.2 2,-1.6 2,-0.1 -2,-0.1 0.930 123.2 54.7 -91.8 -65.3 4.7 1.9 14.4 86 594 A P S S- 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 -0.496 78.0-174.1 -70.4 91.7 2.0 -0.7 13.8 87 595 A N - 0 0 38 -2,-1.6 2,-0.2 -3,-0.2 -17,-0.2 0.351 23.4-101.1 -65.2-150.4 2.4 -1.2 10.1 88 596 A R - 0 0 106 -19,-1.7 2,-0.3 15,-0.0 -1,-0.1 -0.732 28.4-157.5-130.0-179.1 -0.1 -3.4 8.2 89 597 A E - 0 0 123 -21,-0.3 2,-0.4 -2,-0.2 -21,-0.3 -0.988 3.8-154.1-160.2 151.1 -0.0 -7.0 6.8 90 598 A Y E -G 67 0D 39 -23,-1.1 -23,-1.0 -2,-0.3 2,-0.7 -0.971 11.8-142.0-130.4 146.0 -1.8 -9.1 4.2 91 599 A T E -G 66 0D 95 -2,-0.4 -25,-0.2 -25,-0.3 -27,-0.1 -0.873 14.2-156.2-110.1 109.0 -2.3 -12.8 4.1 92 600 A V - 0 0 5 -27,-1.8 -27,-0.4 -2,-0.7 9,-0.1 -0.680 18.7-128.9 -83.4 133.2 -2.0 -14.3 0.6 93 601 A P - 0 0 55 0, 0.0 -29,-0.4 0, 0.0 -30,-0.1 -0.295 0.9-141.5 -75.0 161.7 -3.9 -17.6 0.2 94 602 A Q S S+ 0 0 150 1,-0.1 2,-0.4 -31,-0.1 -89,-0.2 0.498 85.0 55.1-103.3 -5.4 -2.2 -20.7 -1.3 95 603 A A S S+ 0 0 84 -90,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.987 72.0 90.4-130.8 131.8 -5.2 -21.9 -3.3 96 604 A a - 0 0 60 -2,-0.4 3,-0.1 1,-0.1 -89,-0.0 -0.907 58.2-122.8 179.4-150.6 -7.2 -19.9 -5.9 97 605 A G S S+ 0 0 54 -2,-0.3 -95,-0.6 -96,-0.1 -1,-0.1 0.377 86.9 30.8-151.5 -40.9 -7.3 -19.1 -9.6 98 606 A T S S- 0 0 101 -97,-0.1 2,-0.2 -93,-0.1 -96,-0.1 0.057 84.3-107.4-103.6-143.4 -7.0 -15.4 -10.1 99 607 A S + 0 0 39 -92,-0.1 2,-0.3 -3,-0.1 -92,-0.2 -0.718 52.8 127.6-157.4 102.4 -5.1 -12.8 -7.9 100 608 A T + 0 0 95 -2,-0.2 2,-0.3 -94,-0.1 -91,-0.3 -0.980 15.5 151.7-151.7 162.4 -6.9 -10.3 -5.7 101 609 A A E -b 9 0A 11 -93,-1.1 -91,-1.1 -2,-0.3 2,-0.3 -0.926 28.7-114.1-169.6-167.3 -6.8 -9.1 -2.0 102 610 A T E +b 10 0A 83 -2,-0.3 -91,-0.2 -93,-0.2 2,-0.1 -0.998 23.6 164.1-149.1 153.7 -7.4 -6.2 0.4 103 611 A V E -b 11 0A 13 -93,-0.9 -91,-0.9 -2,-0.3 2,-0.7 -0.572 22.1-151.9-171.6 98.2 -5.4 -3.9 2.7 104 612 A T E -b 12 0A 78 -93,-0.2 2,-0.5 -2,-0.1 -91,-0.2 -0.655 13.6-165.9 -80.5 117.5 -6.9 -0.6 4.1 105 613 A D - 0 0 11 -2,-0.7 2,-0.6 -93,-0.6 -91,-0.5 -0.859 9.9-146.0-102.6 128.4 -4.1 1.9 4.8 106 614 A T + 0 0 71 -2,-0.5 -35,-0.1 -93,-0.2 -91,-0.1 -0.804 22.6 171.8 -95.4 127.1 -5.0 4.9 6.9 107 615 A W 0 0 8 -2,-0.6 -92,-0.2 -93,-0.5 -1,-0.2 0.771 360.0 360.0-102.0 -32.6 -3.2 8.0 6.0 108 616 A R 0 0 243 -94,-1.7 -1,-0.1 -91,-0.0 -93,-0.0 -0.573 360.0 360.0 -69.8 360.0 -5.1 10.6 8.1