==== 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 23-OCT-01 1K85 . COMPND 2 MOLECULE: CHITINASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR J.G.JEE,T.IKEGAMI,M.HASHIMOTO,T.KAWABATA,M.IKEGUCHI, . 88 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 37.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.3 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 . 9 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.1 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+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 . 0 1 1 3 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 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 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 1 557 A H 0 0 212 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 89.3 -21.9 0.9 5.4 2 558 A M + 0 0 151 1,-0.1 29,-0.1 2,-0.1 30,-0.1 0.559 360.0 78.6-131.3 -61.1 -20.3 2.5 2.3 3 559 A A S S- 0 0 36 74,-0.1 -1,-0.1 72,-0.1 74,-0.1 -0.245 79.5-117.8 -58.0 142.7 -16.6 2.9 2.6 4 560 A P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.011 34.5 -84.9 -72.5-177.6 -14.5 -0.3 2.1 5 561 A T - 0 0 49 24,-0.2 73,-0.2 73,-0.1 65,-0.2 -0.574 41.3-105.2 -92.0 155.8 -12.2 -2.0 4.6 6 562 A A - 0 0 26 -2,-0.2 74,-0.1 63,-0.1 63,-0.1 -0.675 42.1-104.3 -83.1 127.0 -8.6 -1.2 5.3 7 563 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 61,-0.2 -0.131 43.8-164.2 -48.3 138.4 -6.0 -3.6 3.8 8 564 A T E +A 25 0A 89 17,-0.7 17,-1.8 1,-0.2 73,-0.1 -0.869 54.9 32.5-128.3 162.5 -4.5 -5.9 6.5 9 565 A N E S- 0 0 130 -2,-0.3 -1,-0.2 15,-0.2 16,-0.1 0.950 74.4-168.9 59.4 54.4 -1.5 -8.2 6.8 10 566 A L E + 0 0 16 -3,-0.2 2,-0.3 14,-0.2 14,-0.2 -0.262 10.6 169.7 -69.7 160.8 0.8 -6.1 4.6 11 567 A A E -A 23 0A 44 12,-1.8 12,-1.9 73,-0.1 2,-0.4 -0.958 30.0-122.7-160.9 176.1 4.1 -7.6 3.4 12 568 A S E +A 22 0A 53 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.982 27.1 162.7-136.5 122.8 7.1 -7.2 1.1 13 569 A T E + 0 0 101 8,-1.6 2,-0.4 -2,-0.4 -1,-0.1 0.788 65.5 26.0 -99.4 -88.0 8.3 -9.8 -1.4 14 570 A A E + 0 0 55 7,-0.1 7,-2.8 6,-0.0 -1,-0.3 -0.678 65.6 166.0 -85.2 131.5 10.6 -8.5 -4.1 15 571 A Q E +A 20 0A 70 -2,-0.4 5,-0.2 5,-0.2 2,-0.0 -0.883 5.6 175.5-150.5 113.7 12.8 -5.5 -3.3 16 572 A T - 0 0 72 3,-2.9 5,-0.0 -2,-0.3 0, 0.0 0.048 54.1 -76.4 -95.8-153.6 15.8 -4.2 -5.2 17 573 A T S S+ 0 0 102 71,-0.2 41,-0.2 43,-0.1 43,-0.2 0.085 125.1 4.7 -97.6 22.4 18.0 -1.1 -4.7 18 574 A S S S+ 0 0 52 1,-0.4 2,-0.4 39,-0.1 41,-0.0 0.232 121.6 59.1-166.1 -46.5 15.3 1.1 -6.2 19 575 A S - 0 0 48 37,-0.2 -3,-2.9 38,-0.1 -1,-0.4 -0.875 59.7-172.9-106.3 133.6 12.1 -0.7 -7.0 20 576 A I E -AB 15 55A 0 35,-1.4 35,-1.5 -2,-0.4 2,-0.5 -0.901 13.8-145.9-124.3 153.2 10.1 -2.5 -4.4 21 577 A T E - B 0 54A 43 -7,-2.8 -8,-1.6 -2,-0.3 2,-0.3 -0.973 14.3-164.2-123.0 121.7 7.0 -4.8 -4.6 22 578 A L E -AB 12 53A 0 31,-1.6 31,-0.9 -2,-0.5 2,-0.3 -0.778 3.4-169.6-105.7 149.5 4.3 -4.8 -1.9 23 579 A S E +AB 11 52A 31 -12,-1.9 -12,-1.8 -2,-0.3 2,-0.3 -0.991 13.2 155.8-137.8 143.8 1.7 -7.4 -1.2 24 580 A W E - 0 0 16 27,-1.1 2,-0.4 -2,-0.3 -14,-0.2 -0.970 45.5 -78.1-158.6 170.0 -1.4 -7.5 1.1 25 581 A T E -A 8 0A 75 -17,-1.8 -17,-0.7 -2,-0.3 3,-0.1 -0.622 49.4-119.5 -79.9 128.9 -4.8 -9.0 1.7 26 582 A A - 0 0 52 -2,-0.4 -18,-0.1 1,-0.1 -1,-0.1 -0.226 38.8 -87.3 -64.0 155.1 -7.6 -7.5 -0.5 27 583 A S - 0 0 12 1,-0.1 -1,-0.1 2,-0.1 -21,-0.1 -0.350 27.3-128.6 -65.1 142.3 -10.6 -5.8 1.2 28 584 A T S S+ 0 0 124 -3,-0.1 2,-0.4 -2,-0.0 -1,-0.1 0.690 95.1 63.4 -64.4 -17.5 -13.5 -8.1 2.2 29 585 A D + 0 0 54 1,-0.1 -24,-0.2 -24,-0.1 -2,-0.1 -0.875 47.5 160.6-112.7 143.6 -15.7 -5.6 0.3 30 586 A N + 0 0 131 -2,-0.4 -1,-0.1 -26,-0.1 -2,-0.0 -0.126 37.1 117.5-152.3 42.6 -15.6 -4.8 -3.4 31 587 A V S S- 0 0 146 -29,-0.1 41,-0.0 1,-0.1 -2,-0.0 0.647 103.9 -3.7 -86.4 -17.5 -19.0 -3.3 -4.2 32 588 A G S S+ 0 0 32 -30,-0.1 41,-1.7 39,-0.1 -1,-0.1 0.351 98.6 125.0-152.3 -4.0 -17.5 0.0 -5.3 33 589 A V E +C 72 0B 35 39,-0.2 39,-0.2 1,-0.1 3,-0.1 -0.287 25.0 171.8 -64.6 149.4 -13.7 -0.3 -4.6 34 590 A T E - 0 0 68 37,-1.3 2,-0.2 1,-0.4 -1,-0.1 0.652 55.2 -26.7-124.3 -51.5 -11.4 0.3 -7.5 35 591 A G E - 0 0 0 36,-0.4 36,-2.0 34,-0.0 -1,-0.4 -0.856 55.6-106.6-153.9-171.9 -7.8 0.3 -6.3 36 592 A Y E -CD 70 48B 19 12,-1.3 12,-1.7 -2,-0.2 2,-0.4 -0.681 18.3-137.0-121.5 175.7 -5.4 0.9 -3.4 37 593 A D E -CD 69 47B 26 32,-1.0 32,-1.6 -2,-0.2 2,-0.5 -0.996 8.5-144.3-140.2 131.9 -2.9 3.6 -2.3 38 594 A V E -C 68 0B 0 8,-1.5 7,-2.6 -2,-0.4 2,-0.5 -0.841 13.1-152.4 -99.9 126.2 0.6 3.2 -0.8 39 595 A Y E -CD 67 44B 64 28,-0.7 2,-0.9 -2,-0.5 28,-0.7 -0.838 2.2-157.1-100.0 129.5 1.8 5.7 1.8 40 596 A N E S-C 66 0B 60 3,-2.3 2,-1.2 -2,-0.5 3,-0.4 -0.752 70.5 -48.0-106.5 84.8 5.5 6.4 2.1 41 597 A G S S- 0 0 43 24,-1.2 -2,-0.1 -2,-0.9 3,-0.1 -0.703 123.4 -22.1 95.9 -86.7 5.9 7.7 5.7 42 598 A T S S+ 0 0 147 -2,-1.2 2,-0.3 1,-0.1 -1,-0.2 0.196 124.3 68.1-143.6 11.2 3.2 10.4 6.0 43 599 A A S S- 0 0 59 -3,-0.4 -3,-2.3 -5,-0.0 -1,-0.1 -0.972 89.2 -90.8-137.0 151.1 2.5 11.3 2.4 44 600 A L E +D 39 0B 81 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.325 47.1 168.5 -60.3 136.0 0.9 9.5 -0.6 45 601 A A E - 0 0 40 -7,-2.6 -6,-0.2 1,-0.4 -1,-0.1 0.520 48.3 -0.3-113.1-101.8 3.5 7.6 -2.7 46 602 A T E - 0 0 34 -8,-0.2 -8,-1.5 10,-0.0 -1,-0.4 -0.294 61.5-137.8 -88.8 176.9 2.5 5.1 -5.5 47 603 A T E +D 37 0B 75 7,-0.2 2,-0.3 -10,-0.2 -10,-0.2 -0.999 22.3 168.6-140.6 140.0 -0.9 4.0 -6.7 48 604 A V E -D 36 0B 21 -12,-1.7 -12,-1.3 -2,-0.3 5,-0.1 -0.836 27.8-162.0-140.4 177.5 -2.3 0.6 -7.6 49 605 A T S S+ 0 0 104 -14,-0.3 4,-0.1 -2,-0.3 -1,-0.1 0.265 76.0 55.7-144.6 3.3 -5.5 -1.2 -8.4 50 606 A G S S- 0 0 39 2,-0.4 -2,-0.1 -14,-0.1 -16,-0.0 0.173 105.2 -73.6-110.6-132.0 -4.5 -4.9 -8.0 51 607 A T S S+ 0 0 81 -25,-0.1 -27,-1.1 -28,-0.0 2,-0.2 0.300 106.1 53.4-116.6 4.7 -3.0 -6.9 -5.1 52 608 A T E -B 23 0A 69 -29,-0.2 -2,-0.4 2,-0.0 2,-0.3 -0.711 64.0-147.1-129.9-179.0 0.5 -5.5 -5.4 53 609 A A E -B 22 0A 0 -31,-0.9 -31,-1.6 -2,-0.2 2,-0.4 -0.993 2.2-151.6-153.8 147.8 2.4 -2.2 -5.5 54 610 A T E -B 21 0A 74 -2,-0.3 2,-0.5 -33,-0.2 -7,-0.2 -0.979 11.0-176.3-127.8 122.4 5.5 -0.7 -7.1 55 611 A I E -B 20 0A 12 -35,-1.5 -35,-1.4 -2,-0.4 2,-0.2 -0.962 7.4-175.3-121.7 118.1 7.6 2.1 -5.6 56 612 A S + 0 0 87 -2,-0.5 -37,-0.2 -37,-0.2 -38,-0.0 -0.482 52.8 54.8-102.8 175.2 10.5 3.6 -7.5 57 613 A G + 0 0 72 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 1.000 65.3 152.9 64.6 70.8 13.1 6.2 -6.6 58 614 A L - 0 0 15 -41,-0.2 -1,-0.2 -3,-0.1 2,-0.1 -0.977 38.6-134.1-136.9 122.5 14.6 4.7 -3.4 59 615 A A - 0 0 56 -2,-0.4 3,-0.4 1,-0.1 29,-0.3 -0.448 29.2-113.5 -73.4 143.9 18.1 5.3 -2.0 60 616 A A S S+ 0 0 57 1,-0.2 3,-0.1 -43,-0.2 -1,-0.1 -0.295 93.9 29.3 -74.3 161.4 20.0 2.3 -0.7 61 617 A D S S+ 0 0 160 27,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.897 97.9 118.7 55.7 44.3 21.0 1.8 2.9 62 618 A T - 0 0 56 -3,-0.4 26,-1.6 26,-0.3 2,-0.4 -0.978 65.9-114.8-140.1 152.4 17.9 3.7 4.1 63 619 A S E - E 0 87B 84 -2,-0.3 2,-0.4 24,-0.2 24,-0.2 -0.712 31.8-178.1 -89.2 134.0 14.8 3.0 6.1 64 620 A Y E - E 0 86B 41 22,-1.6 22,-2.3 -2,-0.4 2,-0.5 -0.975 12.4-158.9-137.8 122.8 11.4 3.2 4.4 65 621 A T E - E 0 85B 54 -2,-0.4 -24,-1.2 20,-0.2 2,-0.3 -0.876 17.3-177.2-103.1 124.2 8.0 2.7 5.9 66 622 A F E +CE 40 84B 0 18,-1.3 18,-2.1 -2,-0.5 2,-0.3 -0.798 7.1 169.3-119.2 162.4 5.1 1.7 3.6 67 623 A T E -C 39 0B 19 -28,-0.7 -28,-0.7 -2,-0.3 2,-0.3 -0.905 22.8-122.3-155.4 179.5 1.4 1.1 4.0 68 624 A V E -C 38 0B 0 -2,-0.3 13,-1.4 -30,-0.2 2,-0.4 -0.987 13.8-170.4-138.5 147.3 -1.8 0.6 2.0 69 625 A K E -C 37 0B 43 -32,-1.6 -32,-1.0 -2,-0.3 2,-0.3 -0.960 16.6-140.8-141.0 120.2 -5.2 2.3 1.8 70 626 A A E -C 36 0B 0 9,-0.5 8,-2.7 -2,-0.4 2,-0.3 -0.579 23.2-167.1 -80.1 138.4 -8.3 1.1 -0.1 71 627 A K E - F 0 77B 62 -36,-2.0 -37,-1.3 -2,-0.3 -36,-0.4 -0.845 9.3-142.7-124.8 161.9 -10.4 3.7 -1.9 72 628 A D E >> -CF 33 76B 31 4,-1.4 2,-1.3 -2,-0.3 3,-1.2 -0.882 25.5-116.9-123.7 155.3 -13.9 3.9 -3.5 73 629 A A T 34 S+ 0 0 77 -41,-1.7 -40,-0.1 -2,-0.3 -2,-0.0 -0.292 108.6 55.2 -85.3 51.7 -15.2 5.5 -6.6 74 630 A A T 34 S- 0 0 79 -2,-1.3 -1,-0.2 2,-0.1 -71,-0.0 0.264 127.1 -78.8-160.1 3.2 -17.6 7.8 -4.6 75 631 A G T <4 S+ 0 0 73 -3,-1.2 2,-0.4 1,-0.2 -2,-0.1 0.860 86.8 129.6 92.3 42.9 -15.4 9.5 -2.1 76 632 A N E < -F 72 0B 51 -4,-0.6 -4,-1.4 -74,-0.1 2,-0.3 -0.973 29.7-179.3-134.3 119.5 -14.8 6.8 0.5 77 633 A V E -F 71 0B 81 -2,-0.4 -6,-0.2 -6,-0.2 -74,-0.1 -0.896 14.6-142.1-119.4 148.3 -11.4 5.7 1.9 78 634 A S - 0 0 13 -8,-2.7 -73,-0.1 -2,-0.3 2,-0.1 -0.074 34.7 -78.1 -90.2-165.9 -10.5 3.1 4.4 79 635 A A - 0 0 58 1,-0.1 -9,-0.5 -2,-0.0 2,-0.3 -0.321 50.3 -90.3 -90.3 176.2 -7.8 3.1 7.1 80 636 A A - 0 0 52 -11,-0.1 -11,-0.2 -74,-0.1 -1,-0.1 -0.635 37.4-129.4 -90.0 146.8 -4.1 2.5 6.8 81 637 A S - 0 0 16 -13,-1.4 -73,-0.1 -2,-0.3 -1,-0.1 -0.080 46.2 -58.1 -81.1-174.0 -2.5 -0.9 7.0 82 638 A N - 0 0 127 -75,-0.2 2,-0.5 1,-0.1 -1,-0.2 -0.348 59.4-106.7 -67.2 146.6 0.4 -2.0 9.2 83 639 A A - 0 0 66 -3,-0.1 2,-0.8 -16,-0.1 -16,-0.2 -0.646 28.3-152.7 -79.9 123.2 3.7 -0.2 8.7 84 640 A V E -E 66 0B 21 -18,-2.1 -18,-1.3 -2,-0.5 2,-1.2 -0.849 2.3-154.8-100.8 106.9 6.3 -2.3 6.8 85 641 A S E +E 65 0B 85 -2,-0.8 2,-0.4 -20,-0.2 -20,-0.2 -0.669 23.3 174.3 -83.5 95.0 9.9 -1.2 7.7 86 642 A V E -E 64 0B 13 -22,-2.3 -22,-1.6 -2,-1.2 2,-0.7 -0.862 23.3-144.6-106.4 136.4 11.9 -2.3 4.7 87 643 A K E E 63 0B 166 -2,-0.4 -24,-0.2 -24,-0.2 -27,-0.1 -0.878 360.0 360.0-103.3 114.5 15.6 -1.5 4.3 88 644 A T 0 0 27 -26,-1.6 -27,-1.1 -2,-0.7 -26,-0.3 -0.120 360.0 360.0 -80.8 360.0 16.7 -0.8 0.7