==== 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 1KUM . 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) . 6199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 24.1 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 . 18 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 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 PARALLEL BRIDGES PER LADDER . 2 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 0 105 0, 0.0 95,-0.1 0, 0.0 97,-0.0 0.000 360.0 360.0 360.0 117.4 -5.2 -18.5 -13.9 2 510 A T - 0 0 114 1,-0.3 95,-0.1 95,-0.1 4,-0.0 0.200 360.0 -13.2 -80.0-151.9 -1.7 -17.0 -13.4 3 511 A T > - 0 0 60 1,-0.2 3,-0.8 2,-0.1 -1,-0.3 -0.274 60.3-162.1 -50.3 114.2 0.4 -17.6 -10.3 4 512 A P T 3 S+ 0 0 63 0, 0.0 -1,-0.2 0, 0.0 91,-0.2 0.634 89.6 58.4 -75.2 -14.6 -2.1 -19.1 -7.9 5 513 A T T 3 S+ 0 0 61 89,-0.1 2,-0.4 58,-0.1 -2,-0.1 0.594 95.8 76.1 -90.5 -11.0 0.3 -18.3 -5.0 6 514 A A < - 0 0 7 -3,-0.8 2,-0.4 56,-0.3 54,-0.1 -0.841 60.3-174.3-103.7 136.7 0.2 -14.6 -5.9 7 515 A V - 0 0 1 54,-2.1 2,-0.5 -2,-0.4 54,-0.3 -0.986 25.9-124.2-129.5 135.8 -2.7 -12.3 -5.0 8 516 A A E -a 100 0A 18 91,-1.7 93,-0.8 -2,-0.4 2,-0.5 -0.637 29.7-165.9 -79.1 124.7 -3.2 -8.7 -6.0 9 517 A V E -aB 101 59A 0 50,-1.4 50,-1.7 -2,-0.5 2,-0.6 -0.934 9.4-150.3-116.9 121.1 -3.8 -6.6 -2.9 10 518 A T E -aB 102 58A 40 91,-1.2 93,-1.8 -2,-0.5 2,-0.8 -0.749 7.6-152.0 -90.6 123.9 -5.1 -3.0 -3.1 11 519 A F E -a 103 0A 0 46,-1.8 2,-0.4 -2,-0.6 93,-0.2 -0.810 18.5-165.9 -95.3 106.0 -3.9 -0.8 -0.2 12 520 A D E -a 104 0A 17 91,-1.9 93,-0.7 -2,-0.8 2,-0.5 -0.785 8.4-146.1-101.1 139.2 -6.6 1.9 0.3 13 521 A L E -a 105 0A 0 -2,-0.4 2,-1.3 91,-0.1 42,-1.2 -0.810 9.0-151.5 -98.8 134.6 -6.2 5.2 2.4 14 522 A T E +aC 106 54A 60 91,-0.7 94,-1.8 -2,-0.5 93,-0.6 -0.772 57.7 123.1 -97.1 89.3 -8.9 6.8 4.4 15 523 A A - 0 0 0 -2,-1.3 2,-0.2 38,-0.8 -2,-0.1 -0.817 48.7-165.0-155.5 112.4 -7.5 10.2 3.9 16 524 A T + 0 0 62 -2,-0.3 -2,-0.0 37,-0.1 38,-0.0 -0.069 35.2 165.5 -90.3 38.6 -9.2 13.3 2.4 17 525 A T - 0 0 39 -2,-0.2 -2,-0.1 1,-0.1 91,-0.0 0.026 25.0-164.5 -46.4 162.4 -5.8 15.0 2.1 18 526 A T + 0 0 141 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.284 52.0 100.9-137.9 8.3 -5.9 18.1 -0.2 19 527 A Y S S- 0 0 176 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.329 84.0-107.9 -88.3 175.8 -2.2 18.8 -0.9 20 528 A G S S+ 0 0 63 -2,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.263 85.0 110.4 -88.9 15.1 -0.3 17.8 -4.1 21 529 A E - 0 0 27 55,-0.0 2,-0.3 54,-0.0 54,-0.2 -0.039 57.5-143.0 -76.0-172.0 1.5 15.0 -2.3 22 530 A N E -E 74 0B 49 52,-1.6 52,-1.8 50,-0.0 2,-1.0 -0.986 11.8-124.5-154.0 142.7 0.8 11.2 -2.9 23 531 A I E -E 73 0B 0 -2,-0.3 20,-1.2 50,-0.2 50,-0.2 -0.757 32.1-174.9 -94.2 106.6 0.8 8.2 -0.6 24 532 A Y E -EF 72 42B 70 48,-1.1 48,-1.2 -2,-1.0 2,-0.3 -0.137 11.5-142.9 -83.2-171.9 3.1 5.6 -1.9 25 533 A L E +EF 71 41B 0 16,-1.0 16,-0.6 46,-0.2 46,-0.2 -0.890 17.6 177.9-158.1 125.0 3.4 2.1 -0.4 26 534 A V E -E 70 0B 0 44,-1.2 44,-1.2 -2,-0.3 2,-0.3 -0.554 16.5-154.7-116.1-178.5 6.4 -0.1 0.2 27 535 A G E -E 69 0B 0 5,-1.1 42,-0.2 2,-0.3 9,-0.1 -0.876 33.2 -93.9-150.1-176.5 6.5 -3.6 1.9 28 536 A S S S+ 0 0 38 40,-0.9 2,-0.3 -2,-0.3 7,-0.1 0.262 104.2 53.1 -88.7 14.1 8.4 -6.2 3.8 29 537 A I S > >S- 0 0 37 39,-0.1 5,-2.0 1,-0.1 3,-1.9 -0.931 99.4 -96.7-141.8 165.8 9.3 -8.1 0.6 30 538 A S G > 5S+ 0 0 87 -2,-0.3 3,-3.4 1,-0.3 4,-0.1 0.887 112.4 79.4 -52.4 -37.7 10.9 -7.2 -2.8 31 539 A Q G 3 5S+ 0 0 67 1,-0.3 -1,-0.3 2,-0.2 29,-0.1 0.867 102.4 37.9 -39.1 -39.7 7.3 -6.8 -4.2 32 540 A L G <>5S- 0 0 0 -3,-1.9 -5,-1.1 2,-0.1 4,-0.8 -0.169 136.4 -86.4-105.3 40.5 7.4 -3.4 -2.6 33 541 A G T <45 - 0 0 13 -3,-3.4 2,-2.2 1,-0.2 -3,-0.3 0.719 68.1 -87.1 65.8 17.3 11.1 -2.8 -3.3 34 542 A D T 4 + 0 0 31 -2,-0.2 3,-2.0 10,-0.2 9,-0.1 -0.142 52.3 132.7-125.1 39.0 -7.0 8.4 -5.4 46 554 A D E 3 S+ 0 0 97 1,-0.3 -1,-0.1 10,-0.2 9,-0.1 0.886 87.8 35.3 -59.2 -34.7 -9.4 7.2 -8.0 47 555 A K E 3 S+D 54 0A 137 7,-0.7 7,-0.9 -3,-0.2 2,-0.4 -0.086 110.4 81.5-107.4 33.5 -11.9 6.4 -5.2 48 556 A Y < + 0 0 24 -3,-2.0 -3,-0.1 5,-0.3 -1,-0.0 -0.944 43.6 108.0-141.3 119.0 -10.8 9.4 -3.1 49 557 A T S S- 0 0 112 -2,-0.4 -1,-0.1 3,-0.2 -2,-0.1 0.285 90.0 -45.6-151.9 -67.2 -12.0 13.0 -3.6 50 558 A S S S+ 0 0 95 2,-0.2 -34,-0.0 0, 0.0 -2,-0.0 0.436 126.2 49.8-148.2 -43.7 -14.4 14.5 -1.1 51 559 A S S S+ 0 0 113 1,-0.3 -35,-0.1 0, 0.0 -3,-0.0 0.990 129.6 4.6 -69.7 -59.0 -17.2 12.1 -0.2 52 560 A D S S- 0 0 112 2,-0.1 2,-1.0 -37,-0.0 -1,-0.3 -0.909 70.2-152.8-133.4 108.3 -15.1 9.0 0.5 53 561 A P + 0 0 21 0, 0.0 -38,-0.8 0, 0.0 2,-0.4 -0.663 30.1 158.3 -80.5 102.7 -11.3 9.3 0.4 54 562 A L E -CD 14 47A 45 -2,-1.0 -7,-0.7 -7,-0.9 -40,-0.2 -0.830 14.4-179.1-132.7 102.6 -9.9 5.9 -0.5 55 563 A W E + 0 0 11 -42,-1.2 2,-0.2 -2,-0.4 -10,-0.2 -0.165 17.2 153.5 -78.8-171.6 -6.4 5.6 -2.0 56 564 A Y E - D 0 44A 53 -12,-0.8 -12,-1.0 -44,-0.3 2,-0.4 -0.638 30.2-157.0 151.9 148.7 -5.1 2.2 -3.0 57 565 A V - 0 0 24 -2,-0.2 -46,-1.8 -14,-0.2 2,-1.6 -0.992 21.1-136.9-143.1 131.7 -2.8 0.1 -5.1 58 566 A T E -B 10 0A 72 -2,-0.4 2,-0.6 -48,-0.3 -48,-0.3 -0.551 29.7-177.9 -90.8 77.1 -3.2 -3.5 -6.0 59 567 A V E -B 9 0A 6 -50,-1.7 -50,-1.4 -2,-1.6 -52,-0.1 -0.625 28.9-121.3 -77.4 119.7 0.4 -4.6 -5.6 60 568 A T - 0 0 75 -2,-0.6 -52,-0.2 -52,-0.2 -1,-0.1 -0.075 23.2-160.1 -53.3 161.4 0.7 -8.2 -6.5 61 569 A L - 0 0 0 -54,-0.3 -54,-2.1 -30,-0.0 2,-0.2 -0.726 6.4-154.0-151.9 93.6 2.0 -10.5 -3.8 62 570 A P + 0 0 51 0, 0.0 -56,-0.3 0, 0.0 -31,-0.1 -0.434 67.2 29.1 -73.0 139.8 3.4 -13.9 -5.0 63 571 A A S S- 0 0 42 -2,-0.2 29,-0.2 30,-0.1 -57,-0.2 0.883 101.8 -89.4 76.9 97.7 3.3 -16.9 -2.6 64 572 A G + 0 0 19 29,-0.1 2,-0.2 27,-0.1 27,-0.1 0.127 69.5 148.2 -28.0 147.4 0.5 -16.7 -0.1 65 573 A E - 0 0 112 27,-0.3 27,-2.0 -4,-0.1 2,-1.4 -0.830 63.0-113.2 174.8 147.1 1.8 -14.8 3.0 66 574 A S E - G 0 91B 56 25,-0.3 25,-0.3 -2,-0.2 -2,-0.1 -0.203 54.7-172.1 -84.2 47.3 0.9 -12.5 5.9 67 575 A F E - G 0 90B 10 -2,-1.4 23,-2.2 23,-0.8 2,-0.5 0.168 18.1-133.7 -35.2 160.1 3.1 -9.9 4.2 68 576 A E E + G 0 89B 97 21,-0.3 -40,-0.9 2,-0.0 2,-0.3 -0.914 33.5 165.3-127.4 105.5 3.7 -6.7 6.1 69 577 A Y E -EG 27 88B 2 19,-0.7 19,-1.7 -2,-0.5 2,-0.3 -0.877 9.8-176.0-120.7 154.1 3.3 -3.4 4.1 70 578 A K E -E 26 0B 16 -44,-1.2 -44,-1.2 -2,-0.3 2,-0.1 -0.912 24.8-103.4-142.5 168.9 2.9 0.2 5.3 71 579 A F E -E 25 0B 36 -2,-0.3 12,-0.7 -46,-0.2 2,-0.3 -0.423 24.7-158.1 -91.6 169.8 2.3 3.7 3.8 72 580 A I E -EH 24 82B 0 -48,-1.2 2,-1.1 10,-0.2 -48,-1.1 -0.997 22.0-125.4-146.1 142.7 4.8 6.5 3.1 73 581 A R E -E 23 0B 97 8,-0.9 2,-0.6 -2,-0.3 8,-0.4 -0.733 35.5-171.1 -89.3 96.9 4.2 10.3 2.7 74 582 A I E -E 22 0B 4 -52,-1.8 -52,-1.6 -2,-1.1 6,-0.2 -0.805 6.4-155.8 -99.0 121.2 5.9 10.9 -0.7 75 583 A E - 0 0 97 4,-2.9 -1,-0.0 -2,-0.6 -54,-0.0 0.047 54.5 -68.8 -72.5-169.5 6.4 14.5 -1.7 76 584 A S S S+ 0 0 118 2,-0.1 2,-0.2 -55,-0.0 -1,-0.1 0.625 129.7 36.7 -61.5 -3.9 6.7 15.6 -5.4 77 585 A D S S- 0 0 72 2,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.582 115.1 -75.9-130.4-167.1 10.0 13.7 -4.9 78 586 A D S S+ 0 0 104 -2,-0.2 2,-0.3 -4,-0.1 -40,-0.1 0.352 91.0 115.5 -80.5 11.5 11.3 10.6 -3.1 79 587 A S + 0 0 54 -42,-0.1 -4,-2.9 -41,-0.1 2,-0.3 -0.628 47.1 144.2 -78.3 133.5 11.2 12.6 0.2 80 588 A V - 0 0 41 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.2 -0.951 47.3-118.9-157.2-177.5 8.6 10.9 2.5 81 589 A E - 0 0 100 -8,-0.4 -8,-0.9 -2,-0.3 2,-0.3 -0.628 36.7-155.8-121.3 173.5 7.3 9.8 5.8 82 590 A W B -H 72 0B 75 -10,-0.3 -10,-0.2 -2,-0.2 -11,-0.1 -0.881 27.7 -36.0-147.8-177.0 6.5 6.3 6.7 83 591 A E - 0 0 57 -12,-0.7 -1,-0.1 -2,-0.3 4,-0.1 -0.003 50.8-132.0 -37.3 136.8 4.8 3.6 8.7 84 592 A S - 0 0 85 2,-0.3 3,-0.1 -3,-0.1 -14,-0.0 0.387 53.3 -76.7 -66.6-135.4 4.2 4.5 12.3 85 593 A D S S+ 0 0 137 1,-0.2 2,-1.6 2,-0.1 -2,-0.1 0.928 123.3 63.3 -91.9 -53.3 5.4 1.5 14.3 86 594 A P S S- 0 0 97 0, 0.0 -2,-0.3 0, 0.0 -1,-0.2 -0.535 76.9-170.7 -73.4 90.6 2.5 -1.0 13.8 87 595 A N - 0 0 48 -2,-1.6 2,-0.2 -4,-0.1 -17,-0.2 0.154 23.4 -99.2 -66.3-165.4 2.8 -1.5 10.0 88 596 A R E -G 69 0B 118 -19,-1.7 -19,-0.7 15,-0.0 2,-0.3 -0.717 31.3-158.0-116.3 170.0 0.1 -3.4 8.1 89 597 A E E -G 68 0B 128 -21,-0.3 2,-0.3 -2,-0.2 -21,-0.3 -0.981 4.7-164.6-145.7 158.9 -0.1 -7.0 6.9 90 598 A Y E -G 67 0B 35 -23,-2.2 -23,-0.8 -2,-0.3 2,-0.7 -0.999 15.6-139.2-144.7 146.8 -1.9 -9.1 4.3 91 599 A T E -G 66 0B 91 -2,-0.3 -25,-0.3 -25,-0.3 -27,-0.1 -0.859 16.6-145.2-111.1 105.3 -2.4 -12.8 3.8 92 600 A V - 0 0 7 -27,-2.0 -27,-0.3 -2,-0.7 9,-0.1 -0.557 22.2-149.3 -69.4 115.9 -2.1 -13.8 0.1 93 601 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 -29,-0.1 -0.163 16.9-116.0 -77.5 174.2 -4.7 -16.7 -0.2 94 602 A Q + 0 0 171 -31,-0.1 2,-0.5 2,-0.1 -89,-0.1 -0.456 59.6 140.8-112.0 60.8 -4.3 -19.6 -2.7 95 603 A A - 0 0 33 -2,-0.4 2,-0.5 -91,-0.2 -89,-0.1 -0.872 43.3-141.7-105.4 131.9 -7.3 -19.0 -5.0 96 604 A a S S+ 0 0 81 -2,-0.5 2,-0.8 1,-0.1 -93,-0.1 -0.772 82.6 7.4 -92.7 128.8 -7.0 -19.5 -8.7 97 605 A G S S+ 0 0 53 -2,-0.5 2,-1.9 -95,-0.1 -1,-0.1 -0.503 116.6 70.9 103.0 -66.0 -8.8 -17.0 -10.9 98 606 A T + 0 0 86 -2,-0.8 2,-1.8 1,-0.1 -3,-0.2 -0.493 58.6 166.9 -84.7 73.7 -9.9 -14.5 -8.2 99 607 A S + 0 0 41 -2,-1.9 -91,-1.7 -92,-0.1 2,-0.3 -0.359 29.6 129.0 -85.1 61.2 -6.4 -13.1 -7.5 100 608 A T E +a 8 0A 94 -2,-1.8 2,-0.3 -93,-0.2 -91,-0.2 -0.789 30.2 174.2-113.7 159.3 -7.8 -10.2 -5.5 101 609 A A E -a 9 0A 6 -93,-0.8 -91,-1.2 -2,-0.3 2,-0.4 -0.937 17.9-134.4-153.3 174.0 -6.8 -9.0 -2.0 102 610 A T E +a 10 0A 89 -2,-0.3 2,-0.3 -93,-0.2 -11,-0.2 -0.996 19.7 167.8-141.1 144.0 -7.4 -6.1 0.5 103 611 A V E -a 11 0A 9 -93,-1.8 -91,-1.9 -2,-0.4 2,-1.4 -0.804 23.8-148.9-153.8 102.9 -5.2 -3.9 2.8 104 612 A T E -a 12 0A 80 -2,-0.3 2,-0.5 -93,-0.2 -91,-0.1 -0.583 18.7-173.3 -79.6 96.2 -6.9 -0.8 4.4 105 613 A D E -a 13 0A 2 -2,-1.4 -91,-0.7 -93,-0.7 2,-0.4 -0.722 10.0-152.0 -87.8 129.8 -4.0 1.7 4.6 106 614 A T E +a 14 0A 66 -2,-0.5 -35,-0.1 -93,-0.3 -91,-0.1 -0.842 23.4 168.7-103.3 138.3 -5.1 4.8 6.6 107 615 A W 0 0 28 -93,-0.6 -92,-0.2 -2,-0.4 -1,-0.1 0.671 360.0 360.0-117.9 -28.4 -3.4 8.1 5.9 108 616 A R 0 0 238 -94,-1.8 -1,-0.1 -91,-0.0 -93,-0.0 -0.412 360.0 360.0 -73.0 360.0 -5.6 10.7 7.7