==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-SEP-02 1H3G . COMPND 2 MOLECULE: CYCLOMALTODEXTRINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FLAVOBACTERIUM SP.; . AUTHOR H.B.FRITZSCHE,T.SCHWEDE,S.JELAKOVIC,G.E.SCHULZ . 1194 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 782 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 163 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.6 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 . 90 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 159 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.1 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 6 5 1 3 1 2 0 0 2 4 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 4 6 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 . 7 4 6 5 0 1 5 3 1 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 . 4 0 4 0 2 2 0 1 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 3 A P 0 0 82 0, 0.0 27,-0.5 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 138.5 7.7 -13.1 38.1 2 4 A T - 0 0 85 2,-0.1 26,-2.0 25,-0.1 3,-0.5 0.087 360.0 -86.6 -40.3 168.7 7.2 -16.3 36.1 3 5 A A S S+ 0 0 22 1,-0.3 2,-0.3 24,-0.3 -1,-0.1 0.783 128.1 21.7 -58.6 -30.9 9.1 -19.4 37.1 4 6 A I S S+ 0 0 19 23,-0.1 -1,-0.3 1,-0.1 23,-0.3 -0.802 72.5 157.7-139.6 96.5 12.0 -18.2 35.0 5 7 A E + 0 0 91 21,-2.5 2,-0.4 -3,-0.5 22,-0.2 0.742 68.3 21.7 -93.7 -29.5 11.8 -14.4 34.5 6 8 A H E -A 26 0A 37 20,-2.2 20,-2.9 -4,-0.1 2,-0.4 -0.990 53.3-176.3-142.9 137.0 15.4 -13.7 33.6 7 9 A X E -A 25 0A 9 -2,-0.4 18,-0.2 18,-0.2 16,-0.0 -0.946 30.4-136.2-129.9 105.3 18.2 -15.8 32.3 8 10 A E E S+A 24 0A 10 16,-2.6 16,-3.1 -2,-0.4 285,-0.1 -0.966 87.1 23.8-127.5 133.7 21.5 -13.9 32.1 9 11 A P S S- 0 0 0 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 0.582 86.8-146.5 -72.3 153.5 23.3 -13.9 29.9 10 12 A P S S- 0 0 46 0, 0.0 77,-0.4 0, 0.0 2,-0.3 0.673 74.6 -11.6 -66.1 -22.1 20.5 -15.0 27.6 11 13 A F - 0 0 19 75,-0.1 2,-0.2 78,-0.0 77,-0.2 -0.928 67.4-156.4-165.3 168.2 22.8 -17.1 25.4 12 14 A W E -i 88 0B 2 75,-2.4 77,-3.0 -2,-0.3 2,-0.3 -0.666 18.1-103.3-140.7-168.1 26.5 -17.6 25.0 13 15 A W E > -i 89 0B 11 75,-0.3 3,-0.5 -2,-0.2 77,-0.2 -0.926 20.3-119.9-129.1 151.1 29.0 -18.8 22.4 14 16 A A T 3 S+ 0 0 10 75,-2.7 77,-0.2 -2,-0.3 53,-0.1 -0.536 94.5 30.5 -75.8 152.4 31.0 -21.8 21.7 15 17 A G T 3 S+ 0 0 41 48,-0.4 -1,-0.2 1,-0.2 2,-0.1 0.770 74.1 156.3 74.2 31.9 34.8 -21.2 21.7 16 18 A X < - 0 0 8 -3,-0.5 -1,-0.2 2,-0.1 313,-0.1 -0.448 50.4-120.1 -80.4 162.7 35.2 -18.4 24.2 17 19 A Q S S+ 0 0 117 -2,-0.1 2,-0.5 1,-0.1 -1,-0.1 0.962 103.3 54.9 -68.6 -53.4 38.6 -18.0 25.9 18 20 A H S S- 0 0 70 1,-0.1 -2,-0.1 307,-0.1 -1,-0.1 -0.748 74.2-159.7 -83.3 125.6 37.2 -18.4 29.4 19 21 A K + 0 0 74 -2,-0.5 43,-2.6 -4,-0.1 -1,-0.1 0.819 60.8 91.5 -76.0 -35.2 35.3 -21.7 29.6 20 22 A G E - B 0 61A 18 41,-0.2 2,-0.4 39,-0.0 41,-0.2 -0.297 50.4-175.5 -67.7 142.4 33.2 -21.0 32.6 21 23 A L E - B 0 60A 2 39,-2.9 39,-3.5 -2,-0.1 2,-0.7 -0.993 9.5-159.8-137.6 127.8 29.8 -19.4 32.3 22 24 A Q E - B 0 59A 17 -2,-0.4 2,-0.4 37,-0.2 37,-0.2 -0.919 11.6-155.1-113.0 109.0 27.8 -18.5 35.4 23 25 A L E - B 0 58A 0 35,-3.4 35,-2.6 -2,-0.7 2,-0.7 -0.659 3.3-151.8 -82.8 133.9 24.1 -18.1 34.6 24 26 A X E -AB 8 57A 5 -16,-3.1 -16,-2.6 -2,-0.4 2,-0.5 -0.934 17.3-169.1-103.7 115.4 22.0 -15.9 36.8 25 27 A V E -AB 7 56A 0 31,-3.3 31,-2.4 -2,-0.7 2,-0.4 -0.919 5.0-169.3-110.2 130.1 18.5 -17.2 36.8 26 28 A H E +AB 6 55A 12 -20,-2.9 -21,-2.5 -2,-0.5 -20,-2.2 -0.982 29.3 117.4-120.1 131.1 15.7 -15.2 38.3 27 29 A G S > S- 0 0 0 27,-2.5 3,-2.2 -2,-0.4 4,-0.4 -0.916 70.6 -60.4 177.6 155.8 12.3 -16.6 38.8 28 30 A R T 3 S- 0 0 164 -26,-2.0 26,-0.1 -27,-0.5 -2,-0.0 -0.285 117.6 -22.0 -53.7 116.9 9.8 -17.4 41.5 29 31 A D T > S+ 0 0 38 1,-0.1 3,-2.0 2,-0.1 -1,-0.3 0.661 89.3 140.3 53.7 22.2 11.5 -19.9 43.8 30 32 A I G X + 0 0 0 -3,-2.2 3,-2.1 1,-0.3 24,-0.2 0.826 63.1 71.7 -60.3 -26.3 13.9 -20.9 41.1 31 33 A G G 3 S+ 0 0 2 22,-2.7 -1,-0.3 -4,-0.4 23,-0.1 0.604 90.1 57.5 -65.5 -11.4 16.5 -21.0 44.0 32 34 A R G < S+ 0 0 83 -3,-2.0 46,-0.4 21,-0.4 -1,-0.3 0.472 92.1 96.4 -95.2 -3.5 14.8 -24.1 45.4 33 35 A X < - 0 0 6 -3,-2.1 2,-0.4 -4,-0.2 44,-0.2 -0.481 67.0-140.6 -86.2 155.9 15.4 -25.9 42.1 34 36 A E E -J 76 0B 97 42,-2.6 42,-2.1 -2,-0.2 2,-0.3 -0.859 25.8-139.4-107.0 147.3 18.3 -28.2 41.2 35 37 A A E +J 75 0B 12 -2,-0.4 2,-0.3 40,-0.2 40,-0.2 -0.809 26.5 163.5-112.1 157.1 19.6 -27.8 37.7 36 38 A A E +J 74 0B 48 38,-1.4 38,-2.8 -2,-0.3 2,-0.3 -0.972 5.5 175.8-158.1 161.9 20.7 -30.3 35.1 37 39 A L E -J 73 0B 28 -2,-0.3 2,-0.4 36,-0.2 7,-0.2 -0.971 19.3-144.6-162.7 163.5 21.4 -30.4 31.4 38 40 A D + 0 0 152 34,-0.5 34,-0.2 -2,-0.3 5,-0.1 -0.879 40.5 130.2-141.2 106.8 22.7 -32.7 28.7 39 41 A Y B > -C 42 0A 37 3,-0.5 3,-1.7 -2,-0.4 2,-0.2 -0.954 59.0-100.9-157.3 135.1 24.7 -31.4 25.9 40 42 A P T 3 S+ 0 0 103 0, 0.0 27,-0.6 0, 0.0 3,-0.1 -0.396 105.8 12.9 -63.0 124.1 28.1 -32.5 24.5 41 43 A G T 3 S+ 0 0 24 -2,-0.2 22,-3.2 1,-0.2 25,-0.5 0.431 106.7 99.6 92.1 1.1 31.0 -30.4 25.6 42 44 A V E < -CD 39 62A 14 -3,-1.7 -3,-0.5 20,-0.2 2,-0.4 -0.977 51.4-167.0-124.6 130.9 29.0 -28.6 28.3 43 45 A R E - D 0 61A 64 18,-2.6 18,-2.3 -2,-0.4 2,-1.0 -0.934 22.8-135.3-121.6 136.1 29.1 -29.5 32.0 44 46 A L E + D 0 60A 22 -2,-0.4 16,-0.2 -7,-0.2 3,-0.1 -0.778 28.8 178.3 -82.5 108.6 26.9 -28.4 34.8 45 47 A V E - 0 0 34 14,-2.6 2,-0.3 -2,-1.0 -1,-0.2 0.940 52.3 -48.9 -80.5 -49.6 29.6 -27.6 37.4 46 48 A S E - D 0 59A 12 13,-1.5 13,-3.3 -3,-0.2 2,-0.4 -0.980 43.2-126.4-172.6 172.6 27.4 -26.4 40.3 47 49 A T E -ED 647 58A 9 600,-2.2 600,-2.8 -2,-0.3 2,-0.4 -0.997 16.7-153.0-137.2 144.7 24.6 -24.2 41.3 48 50 A T E -ED 646 57A 12 9,-3.1 9,-2.6 -2,-0.4 2,-0.4 -0.944 7.5-167.1-120.5 137.1 24.5 -21.7 44.0 49 51 A R E -E 645 0A 27 596,-2.7 596,-2.4 -2,-0.4 7,-0.1 -0.916 3.0-162.4-120.1 153.1 21.6 -20.5 46.0 50 52 A V - 0 0 8 5,-0.5 5,-0.2 2,-0.5 594,-0.2 -0.688 43.0 -87.6-124.5 172.5 21.2 -17.6 48.2 51 53 A P S S+ 0 0 78 0, 0.0 2,-0.9 0, 0.0 183,-0.1 0.862 111.6 78.8 -54.6 -35.3 18.7 -16.6 50.9 52 54 A N S > S- 0 0 36 181,-0.7 3,-1.3 1,-0.2 -2,-0.5 -0.656 73.3-158.3 -75.8 109.5 16.5 -14.9 48.3 53 55 A A T 3 S+ 0 0 14 -2,-0.9 -22,-2.7 1,-0.3 -21,-0.4 0.494 79.1 77.6 -69.7 -1.5 14.8 -17.9 46.8 54 56 A N T 3 S+ 0 0 30 -25,-0.2 -27,-2.5 -24,-0.2 2,-0.4 0.367 89.2 67.1 -90.6 9.2 14.0 -16.1 43.5 55 57 A Y E < +B 26 0A 0 -3,-1.3 -5,-0.5 -29,-0.2 2,-0.3 -0.954 53.0 179.0-132.1 148.1 17.5 -16.5 42.2 56 58 A L E -B 25 0A 1 -31,-2.4 -31,-3.3 -2,-0.4 2,-0.6 -0.966 14.8-152.7-147.1 131.0 19.7 -19.3 41.2 57 59 A F E -BD 24 48A 2 -9,-2.6 -9,-3.1 -2,-0.3 2,-0.5 -0.915 13.7-166.7-106.2 122.7 23.3 -19.2 39.9 58 60 A V E -BD 23 47A 0 -35,-2.6 -35,-3.4 -2,-0.6 2,-0.6 -0.952 7.2-151.8-115.2 121.2 24.2 -22.0 37.6 59 61 A D E -BD 22 46A 40 -13,-3.3 -14,-2.6 -2,-0.5 -13,-1.5 -0.849 17.3-179.2-100.4 118.4 27.8 -22.6 36.8 60 62 A L E -BD 21 44A 3 -39,-3.5 -39,-2.9 -2,-0.6 2,-0.5 -0.850 20.2-149.7-112.3 151.0 28.6 -24.2 33.5 61 63 A E E -BD 20 43A 84 -18,-2.3 -18,-2.6 -2,-0.3 2,-0.8 -0.986 13.0-160.0-117.9 115.9 31.9 -25.2 32.0 62 64 A I E - D 0 42A 8 -43,-2.6 -20,-0.2 -2,-0.5 -46,-0.1 -0.881 13.8-151.3-101.7 110.1 31.8 -24.9 28.2 63 65 A G > - 0 0 7 -22,-3.2 3,-1.2 -2,-0.8 -48,-0.4 -0.256 27.4-106.7 -76.9 166.9 34.6 -27.0 26.7 64 66 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.754 120.5 58.6 -63.5 -26.5 36.3 -26.4 23.4 65 67 A E T 3 S+ 0 0 110 -24,-0.1 -23,-0.1 2,-0.1 -51,-0.0 0.665 78.8 115.4 -76.9 -18.5 34.5 -29.4 21.9 66 68 A A < - 0 0 3 -3,-1.2 -25,-0.2 -25,-0.5 -51,-0.2 -0.282 56.9-152.2 -53.7 133.8 31.2 -27.7 22.7 67 69 A Q - 0 0 126 -27,-0.6 21,-0.1 -53,-0.1 2,-0.1 -0.731 24.4 -88.2-109.4 158.9 29.4 -26.9 19.5 68 70 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 21,-0.2 -0.415 82.1 92.2 -59.2 136.6 27.0 -24.2 18.5 69 71 A G E - K 0 88B 30 19,-2.1 19,-3.2 -2,-0.1 2,-0.3 -0.976 67.0 -88.5 165.1-162.9 23.5 -25.5 19.2 70 72 A S E - K 0 87B 58 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.963 28.6-179.9-140.9 157.7 20.9 -25.5 21.9 71 73 A F E - K 0 86B 10 15,-2.5 15,-3.1 -2,-0.3 2,-0.3 -0.993 30.0-109.4-153.8 151.2 19.9 -27.5 24.9 72 74 A D E - K 0 85B 39 -2,-0.3 2,-0.6 13,-0.2 -34,-0.5 -0.604 18.8-150.7 -79.1 140.0 17.3 -27.4 27.7 73 75 A I E -JK 37 84B 0 11,-2.6 11,-1.9 -2,-0.3 2,-0.5 -0.972 22.4-156.1-101.8 125.4 18.4 -26.6 31.1 74 76 A V E -JK 36 83B 28 -38,-2.8 -38,-1.4 -2,-0.6 2,-0.4 -0.913 7.4-159.2-112.4 133.8 16.0 -28.5 33.3 75 77 A F E -JK 35 82B 0 7,-3.1 7,-2.4 -2,-0.5 2,-0.3 -0.900 9.9-174.4-110.4 139.1 15.1 -27.5 36.9 76 78 A K E +JK 34 81B 88 -42,-2.1 -42,-2.6 -2,-0.4 2,-0.2 -0.980 33.9 57.3-135.0 142.2 13.7 -29.9 39.4 77 79 A G E > + K 0 80B 28 3,-2.3 3,-2.7 -2,-0.3 -44,-0.2 -0.763 56.6 79.8 134.8-178.3 12.4 -29.4 43.0 78 80 A D T 3 S- 0 0 87 -46,-0.4 3,-0.1 1,-0.3 -45,-0.1 0.806 128.3 -60.8 49.9 29.4 9.9 -27.5 45.1 79 81 A G T 3 S+ 0 0 86 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.736 120.0 73.5 70.7 26.4 7.5 -30.1 43.7 80 82 A R E < - K 0 77B 67 -3,-2.7 -3,-2.3 2,-0.0 2,-0.3 -0.909 63.3-131.2-155.0-177.7 8.0 -29.1 40.0 81 83 A S E - K 0 76B 51 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.995 17.3-172.2-144.8 140.2 10.1 -29.1 36.9 82 84 A E E - K 0 75B 49 -7,-2.4 -7,-3.1 -2,-0.3 2,-0.4 -0.972 7.2-155.7-135.3 149.0 11.0 -26.3 34.5 83 85 A R E - K 0 74B 151 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.974 8.5-177.2-126.7 140.8 12.8 -26.2 31.2 84 86 A Y E - K 0 73B 85 -11,-1.9 -11,-2.6 -2,-0.4 2,-0.4 -0.962 23.5-132.7-141.9 121.2 14.6 -23.4 29.6 85 87 A R E - K 0 72B 155 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.570 24.7-168.5 -76.0 124.6 16.2 -23.5 26.2 86 88 A Y E - K 0 71B 0 -15,-3.1 -15,-2.5 -2,-0.4 2,-0.4 -0.963 5.4-150.1-119.9 138.0 19.7 -22.2 26.2 87 89 A R E - K 0 70B 125 -77,-0.4 -75,-2.4 -2,-0.4 2,-0.5 -0.825 11.5-162.2-114.2 140.0 21.7 -21.4 23.1 88 90 A L E -iK 12 69B 2 -19,-3.2 -19,-2.1 -2,-0.4 -75,-0.3 -0.991 22.3-155.5-116.5 119.7 25.3 -21.5 22.2 89 91 A L E -i 13 0B 41 -77,-3.0 -75,-2.7 -2,-0.5 2,-0.3 -0.552 19.0-111.5 -92.5 158.4 26.1 -19.5 19.1 90 92 A A - 0 0 64 -77,-0.2 2,-0.2 -2,-0.2 -75,-0.1 -0.685 38.5-117.4 -82.5 143.4 29.0 -19.9 16.7 91 93 A R - 0 0 53 -2,-0.3 3,-0.1 -77,-0.2 -1,-0.0 -0.591 30.0-105.1 -81.0 145.7 31.4 -16.9 16.9 92 94 A E > - 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