==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JAN-00 1ED7 . COMPND 2 MOLECULE: CHITINASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR T.IKEGAMI,T.OKADA,M.HASHIMOTO,S.SEINO,T.WATANABE,M.SHIRAKAWA . 44 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 24 54.5 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 . 10 22.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 7 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 2.3 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 . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 655 A A 0 0 95 0, 0.0 15,-0.2 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 94.4 -6.9 -5.9 -2.4 2 656 A W - 0 0 26 13,-1.9 2,-0.5 1,-0.1 12,-0.1 -0.160 360.0-142.5 -51.2 146.4 -3.9 -4.9 -0.2 3 657 A Q - 0 0 107 13,-0.0 3,-0.4 27,-0.0 26,-0.2 -0.949 5.3-136.7-119.9 122.7 -2.3 -8.0 1.4 4 658 A V S S+ 0 0 59 -2,-0.5 26,-0.2 1,-0.2 3,-0.1 -0.457 88.4 17.9 -73.2 145.5 -0.9 -8.0 5.0 5 659 A N S S+ 0 0 126 24,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.975 101.3 124.0 60.6 53.3 2.5 -9.7 5.5 6 660 A T E -A 29 0A 44 23,-1.1 23,-1.6 -3,-0.4 2,-0.6 -0.853 64.7-109.6-136.3 173.5 3.3 -9.7 1.7 7 661 A A E -A 28 0A 76 -2,-0.3 2,-0.3 21,-0.3 21,-0.2 -0.899 35.7-178.0-110.8 113.0 6.1 -8.4 -0.6 8 662 A Y E -A 27 0A 28 19,-2.3 19,-1.5 -2,-0.6 2,-0.3 -0.788 15.0-142.0-108.3 153.1 5.2 -5.4 -2.8 9 663 A T > - 0 0 89 -2,-0.3 3,-0.5 17,-0.2 16,-0.1 -0.858 37.3 -83.9-113.0 148.3 7.4 -3.7 -5.4 10 664 A A T 3 S+ 0 0 45 -2,-0.3 14,-0.3 1,-0.2 -1,-0.1 -0.047 118.3 36.2 -43.2 147.8 7.5 0.1 -6.1 11 665 A G T 3 S+ 0 0 68 12,-1.5 -1,-0.2 1,-0.2 13,-0.2 0.748 90.6 142.0 76.9 20.5 4.8 1.1 -8.5 12 666 A Q < - 0 0 63 11,-1.0 2,-0.4 -3,-0.5 11,-0.3 -0.376 44.6-138.5 -88.4 172.6 2.4 -1.4 -6.9 13 667 A L + 0 0 99 9,-0.3 2,-0.3 -2,-0.1 9,-0.3 -0.909 24.6 170.1-137.6 111.5 -1.3 -0.9 -6.3 14 668 A V E -B 21 0B 0 7,-1.6 7,-2.2 -2,-0.4 2,-0.4 -0.795 15.5-155.3-116.4 161.5 -3.1 -2.0 -3.1 15 669 A T E -B 20 0B 52 -2,-0.3 -13,-1.9 5,-0.2 5,-0.2 -0.968 8.6-174.0-140.5 125.5 -6.6 -1.2 -1.8 16 670 A Y E > -B 19 0B 33 3,-0.7 3,-1.9 -2,-0.4 2,-1.0 -0.062 65.8 -18.9 -97.7-156.7 -7.8 -1.2 1.9 17 671 A N T 3 S- 0 0 162 1,-0.3 -1,-0.2 -2,-0.0 3,-0.1 -0.186 131.5 -42.2 -47.8 90.9 -11.4 -0.7 3.2 18 672 A G T 3 S+ 0 0 84 -2,-1.0 2,-0.4 1,-0.2 -1,-0.3 0.845 117.0 130.8 52.0 30.1 -12.8 0.8 0.0 19 673 A K E < -B 16 0B 108 -3,-1.9 -3,-0.7 25,-0.0 2,-0.4 -0.886 54.0-136.9-116.2 147.6 -9.5 2.8 -0.1 20 674 A T E +B 15 0B 84 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.847 27.5 170.5-103.7 134.2 -7.1 3.3 -3.0 21 675 A Y E -B 14 0B 14 -7,-2.2 -7,-1.6 -2,-0.4 2,-0.5 -0.996 20.1-158.6-142.2 147.5 -3.3 3.0 -2.4 22 676 A K - 0 0 76 21,-0.4 21,-2.1 -2,-0.3 -9,-0.3 -0.902 18.6-137.9-130.2 107.6 -0.2 2.9 -4.7 23 677 A C B +C 42 0C 6 -2,-0.5 -12,-1.5 -11,-0.3 -11,-1.0 -0.356 22.6 176.8 -61.3 136.0 3.0 1.4 -3.4 24 678 A L + 0 0 67 17,-2.1 -14,-0.2 -14,-0.3 -1,-0.1 0.435 61.6 55.1-120.5 -3.7 6.0 3.5 -4.5 25 679 A Q S S- 0 0 81 16,-0.5 2,-0.6 -16,-0.1 -1,-0.2 -0.990 86.0-114.1-135.9 131.3 8.9 1.7 -2.7 26 680 A P + 0 0 82 0, 0.0 2,-0.2 0, 0.0 -17,-0.2 -0.435 67.5 117.2 -62.2 109.0 9.8 -2.0 -2.9 27 681 A H E -A 8 0A 97 -19,-1.5 -19,-2.3 -2,-0.6 2,-0.5 -0.850 64.6 -86.4-155.6-169.0 9.2 -3.3 0.6 28 682 A T E -A 7 0A 85 -21,-0.2 -21,-0.3 -2,-0.2 2,-0.2 -0.945 33.2-131.7-117.8 125.3 7.0 -5.8 2.6 29 683 A S E -A 6 0A 3 -23,-1.6 -23,-1.1 -2,-0.5 -24,-0.4 -0.494 32.6-177.8 -71.8 136.9 3.6 -4.9 3.9 30 684 A L > - 0 0 77 -25,-0.2 2,-3.4 -26,-0.2 3,-1.7 -0.871 45.2 -78.3-132.5 167.5 3.1 -5.9 7.6 31 685 A A T 3 S+ 0 0 71 -2,-0.3 -27,-0.0 1,-0.2 -2,-0.0 -0.280 124.7 42.7 -63.4 71.6 0.3 -5.7 10.2 32 686 A G T 3 S+ 0 0 31 -2,-3.4 5,-0.3 0, 0.0 -1,-0.2 0.175 89.8 76.3 178.0 -31.9 0.8 -2.0 10.8 33 687 A W < + 0 0 74 -3,-1.7 -2,-0.1 1,-0.2 5,-0.1 -0.049 69.3 100.2 -88.5 36.3 1.3 -0.3 7.4 34 688 A E S S+ 0 0 73 1,-0.2 -1,-0.2 -2,-0.1 -18,-0.1 0.914 75.9 50.8 -86.9 -46.2 -2.4 -0.5 6.7 35 689 A P S S- 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.565 112.2-120.1 -68.1 -5.8 -3.5 3.1 7.6 36 690 A S + 0 0 19 -4,-0.1 -3,-0.1 1,-0.1 8,-0.1 0.972 49.0 168.1 66.8 52.0 -0.6 4.2 5.3 37 691 A N + 0 0 93 -5,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.383 65.2 64.3 -79.6 9.4 1.2 6.1 8.1 38 692 A V >> + 0 0 32 1,-0.1 3,-1.9 -5,-0.1 4,-1.2 -0.642 53.5 171.0-134.2 80.1 4.2 6.4 5.7 39 693 A P T 34 + 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.758 65.5 90.6 -59.5 -23.4 3.4 8.5 2.6 40 694 A A T 34 S+ 0 0 87 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 0.816 116.3 4.7 -44.6 -27.1 7.1 8.3 1.8 41 695 A L T <4 S+ 0 0 15 -3,-1.9 -17,-2.1 1,-0.1 2,-0.8 0.385 115.1 90.2-137.5 -3.3 6.0 5.2 -0.2 42 696 A W B < -C 23 0C 10 -4,-1.2 2,-1.1 -19,-0.2 -19,-0.2 -0.818 48.5-177.1-102.5 104.4 2.2 5.1 0.2 43 697 A Q 0 0 104 -21,-2.1 -21,-0.4 -2,-0.8 -3,-0.0 -0.696 360.0 360.0 -99.7 85.2 0.5 7.0 -2.7 44 698 A L 0 0 114 -2,-1.1 -23,-0.2 -23,-0.3 -29,-0.0 -0.420 360.0 360.0 -87.4 360.0 -3.2 6.8 -1.8