==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 23-NOV-06 2NZH . COMPND 2 MOLECULE: PROTEIN CSAA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR Y.A.SHAPOVA,M.PAETZEL . 218 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 68.3 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 . 79 36.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 3 1.4 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 . 24 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 9.2 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 4 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 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 . 2 5 4 0 2 3 1 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 . 3 0 0 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 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 1 A M > 0 0 99 0, 0.0 4,-1.1 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 145.4 59.2 -18.5 -16.8 2 2 A A H > + 0 0 56 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.741 360.0 65.6 -60.6 -34.7 57.0 -15.6 -15.5 3 3 A V H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 101.3 50.2 -63.0 -44.2 53.9 -17.7 -14.7 4 4 A I H > S+ 0 0 55 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.927 111.3 47.8 -55.1 -51.4 55.7 -19.6 -11.9 5 5 A D H X S+ 0 0 89 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.906 109.5 54.0 -61.0 -40.0 56.9 -16.4 -10.3 6 6 A D H >X S+ 0 0 2 -4,-2.5 4,-0.5 2,-0.2 3,-0.5 0.924 110.2 46.7 -60.4 -43.4 53.4 -14.8 -10.5 7 7 A F H >< S+ 0 0 22 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.930 108.1 56.2 -62.3 -45.0 52.0 -17.8 -8.7 8 8 A E H 3< S+ 0 0 137 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.689 98.5 62.8 -61.4 -21.0 54.8 -17.6 -6.1 9 9 A K H << S+ 0 0 90 -4,-1.2 -1,-0.3 -3,-0.5 2,-0.2 0.691 89.0 91.5 -71.0 -24.0 53.7 -14.0 -5.4 10 10 A L << - 0 0 21 -3,-1.6 2,-0.7 -4,-0.5 57,-0.0 -0.533 63.6-152.8 -80.8 139.3 50.3 -15.2 -4.2 11 11 A D - 0 0 45 -2,-0.2 57,-3.0 2,-0.0 58,-0.5 -0.877 23.0-177.9-107.6 94.4 49.5 -16.0 -0.5 12 12 A I E +A 67 0A 8 -2,-0.7 97,-2.8 97,-0.4 2,-0.3 -0.857 9.1 168.9-101.3 123.6 46.6 -18.5 -0.9 13 13 A R E -AB 66 108A 28 53,-3.0 53,-2.8 -2,-0.5 2,-0.2 -0.934 34.4-119.0-134.1 159.4 45.1 -19.8 2.4 14 14 A T E +A 65 0A 0 93,-1.9 92,-3.1 -2,-0.3 2,-0.3 -0.612 37.5 165.9 -86.0 145.4 42.2 -21.8 3.9 15 15 A G E -A 64 0A 0 49,-1.8 49,-2.6 -2,-0.2 2,-0.5 -0.976 32.3-115.5-155.3 164.4 39.9 -20.0 6.4 16 16 A T E -AC 63 36A 17 20,-2.0 20,-3.5 -2,-0.3 2,-0.5 -0.939 23.0-127.6-111.9 127.2 36.5 -20.6 8.1 17 17 A I E + C 0 35A 0 45,-2.2 44,-3.8 -2,-0.5 45,-0.3 -0.612 33.6 167.7 -63.7 116.7 33.5 -18.4 7.5 18 18 A V E + 0 0 61 16,-2.7 2,-0.3 -2,-0.5 17,-0.2 0.555 65.9 31.7-108.5 -16.9 32.3 -17.4 11.0 19 19 A K E + C 0 34A 114 15,-1.5 15,-2.2 40,-0.1 2,-0.3 -0.999 62.2 177.8-143.0 142.2 29.8 -14.7 9.8 20 20 A A E + C 0 33A 21 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.987 1.7 173.4-147.8 135.8 27.7 -14.2 6.7 21 21 A E E - C 0 32A 116 11,-2.2 11,-2.8 -2,-0.3 -2,-0.0 -0.999 36.5-107.8-140.7 136.1 25.2 -11.6 5.5 22 22 A E E - C 0 31A 86 -2,-0.3 9,-0.2 9,-0.2 3,-0.1 -0.339 27.6-163.0 -54.7 138.1 23.2 -10.9 2.3 23 23 A F E > + C 0 30A 3 7,-2.9 7,-1.6 1,-0.1 3,-1.2 -0.581 26.1 155.8-129.5 67.7 24.6 -7.9 0.4 24 24 A P T 3 + 0 0 85 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.722 67.0 70.6 -67.3 -20.2 21.9 -6.8 -2.2 25 25 A E T 3 S+ 0 0 136 -3,-0.1 51,-0.1 51,-0.1 2,-0.1 0.640 75.1 101.3 -72.4 -19.8 23.3 -3.2 -2.3 26 26 A A S < S- 0 0 6 -3,-1.2 4,-0.1 1,-0.1 49,-0.0 -0.374 90.6-110.2 -67.1 149.0 26.5 -4.2 -4.1 27 27 A R S S+ 0 0 229 1,-0.1 -1,-0.1 2,-0.1 48,-0.0 0.857 116.9 28.7 -49.9 -45.5 26.5 -3.5 -7.9 28 28 A V S S- 0 0 49 -5,-0.1 -1,-0.1 1,-0.0 -2,-0.1 -0.986 114.5 -99.0-108.0 128.6 26.3 -7.3 -8.5 29 29 A P + 0 0 66 0, 0.0 22,-0.4 0, 0.0 2,-0.3 -0.104 56.5 170.0 -50.6 142.5 24.5 -8.9 -5.5 30 30 A A E -C 23 0A 1 -7,-1.6 -7,-2.9 19,-0.2 2,-0.4 -0.823 34.5-118.9-141.8 175.8 26.9 -10.4 -3.0 31 31 A I E -CD 22 48A 0 17,-2.4 17,-2.4 -2,-0.3 2,-0.4 -0.999 26.6-131.8-122.7 129.6 27.3 -12.0 0.4 32 32 A K E -CD 21 47A 47 -11,-2.8 -11,-2.2 -2,-0.4 2,-0.4 -0.658 28.4-164.1 -75.5 128.6 29.5 -10.3 3.1 33 33 A L E -CD 20 46A 0 13,-3.6 13,-2.7 -2,-0.4 2,-0.5 -0.936 19.6-161.2-119.0 140.3 31.8 -12.8 4.7 34 34 A V E -CD 19 45A 26 -15,-2.2 -16,-2.7 -2,-0.4 -15,-1.5 -0.990 24.9-167.9-115.8 120.8 33.9 -12.7 7.9 35 35 A I E -CD 17 44A 0 9,-3.8 9,-2.8 -2,-0.5 2,-0.8 -0.933 21.8-141.2-121.3 132.6 36.6 -15.3 7.7 36 36 A D E +CD 16 43A 47 -20,-3.5 -20,-2.0 -2,-0.4 7,-0.2 -0.780 18.8 177.9 -90.0 110.3 38.9 -16.7 10.3 37 37 A F > - 0 0 0 5,-1.9 4,-0.5 -2,-0.8 3,-0.2 0.173 49.9-101.9 -97.8 18.3 42.4 -17.3 8.7 38 38 A G H > - 0 0 12 1,-0.2 4,-2.0 3,-0.2 -1,-0.4 -0.321 54.5 -44.6 92.4-174.5 44.0 -18.5 11.9 39 39 A T H 4 S+ 0 0 148 66,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.872 129.8 41.6 -66.6 -41.7 46.3 -17.0 14.5 40 40 A E H 4 S+ 0 0 144 -3,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.989 126.6 28.3 -71.5 -60.7 48.9 -15.2 12.2 41 41 A I H < S- 0 0 35 -4,-0.5 -2,-0.2 1,-0.1 -3,-0.2 0.844 96.4-173.0 -68.7 -37.6 46.6 -13.7 9.5 42 42 A G < - 0 0 20 -4,-2.0 -5,-1.9 -5,-0.1 2,-0.3 -0.237 38.9 -9.9 75.5-161.9 43.6 -13.4 11.8 43 43 A I E -D 36 0A 98 -7,-0.2 2,-0.4 -6,-0.1 -7,-0.2 -0.517 65.8-177.6 -76.4 130.4 40.0 -12.3 11.0 44 44 A K E -D 35 0A 64 -9,-2.8 -9,-3.8 -2,-0.3 2,-0.3 -0.986 19.4-134.1-134.0 146.9 39.3 -11.0 7.4 45 45 A Q E +D 34 0A 68 -2,-0.4 36,-2.3 -11,-0.2 37,-1.1 -0.690 24.4 177.8 -94.1 142.7 36.3 -9.6 5.6 46 46 A S E -D 33 0A 0 -13,-2.7 -13,-3.6 -2,-0.3 2,-0.5 -0.998 23.5-146.8-144.3 147.2 35.3 -10.5 2.0 47 47 A S E -D 32 0A 21 35,-0.3 2,-0.4 -2,-0.3 37,-0.2 -0.954 25.8-174.8-107.1 126.3 32.6 -9.8 -0.4 48 48 A A E -D 31 0A 9 -17,-2.4 -17,-2.4 -2,-0.5 2,-1.8 -0.968 30.5-134.6-126.5 139.9 31.7 -12.7 -2.7 49 49 A Q + 0 0 108 -2,-0.4 3,-0.2 -19,-0.2 -19,-0.2 -0.411 65.4 122.0 -86.5 65.6 29.3 -12.9 -5.6 50 50 A I > + 0 0 3 -2,-1.8 4,-1.5 1,-0.1 3,-0.3 -0.018 21.0 117.0-120.4 28.4 27.7 -16.2 -4.4 51 51 A T T 4 + 0 0 51 -22,-0.4 -1,-0.1 1,-0.2 -21,-0.1 0.727 67.2 67.9 -72.9 -22.9 24.0 -15.3 -4.1 52 52 A K T 4 S+ 0 0 141 40,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.939 118.0 14.0 -60.9 -48.6 23.0 -17.9 -6.8 53 53 A R T 4 S+ 0 0 91 -3,-0.3 2,-0.3 41,-0.3 -2,-0.2 0.590 117.8 63.0-108.3 -15.6 23.9 -21.1 -5.0 54 54 A Y < - 0 0 23 -4,-1.5 3,-0.1 3,-0.0 5,-0.0 -0.844 50.2-161.1-123.0 148.8 24.4 -20.1 -1.3 55 55 A K >> - 0 0 125 -2,-0.3 3,-1.7 1,-0.1 4,-0.6 -0.975 33.0-117.5-122.2 146.9 22.6 -18.7 1.7 56 56 A P H >> S+ 0 0 9 0, 0.0 3,-2.2 0, 0.0 4,-1.3 0.871 112.4 54.9 -46.6 -51.6 24.3 -17.1 4.7 57 57 A E H 34 S+ 0 0 135 1,-0.3 -36,-0.0 2,-0.2 -3,-0.0 0.780 109.4 50.6 -56.3 -26.4 23.1 -19.7 7.3 58 58 A G H <4 S+ 0 0 58 -3,-1.7 -1,-0.3 1,-0.1 0, 0.0 0.542 105.0 57.5 -87.0 -7.9 24.6 -22.4 5.1 59 59 A L H X< S+ 0 0 0 -3,-2.2 3,-2.5 -4,-0.6 -42,-0.3 0.712 75.8 109.7 -92.5 -28.0 28.0 -20.7 4.8 60 60 A I T 3< S+ 0 0 63 -4,-1.3 -42,-0.2 1,-0.3 3,-0.1 -0.278 90.7 10.4 -52.6 128.1 28.8 -20.5 8.6 61 61 A N T 3 S+ 0 0 126 -44,-3.8 2,-0.3 1,-0.3 -1,-0.3 0.422 94.1 138.7 77.9 3.2 31.6 -23.0 9.5 62 62 A K < - 0 0 37 -3,-2.5 -45,-2.2 -45,-0.3 2,-0.5 -0.594 53.4-130.2 -74.6 132.2 32.4 -23.6 5.8 63 63 A Q E -A 16 0A 42 -2,-0.3 2,-0.2 -47,-0.2 -47,-0.2 -0.769 33.5-178.8 -81.2 127.3 36.2 -23.8 4.9 64 64 A V E -A 15 0A 0 -49,-2.6 -49,-1.8 -2,-0.5 2,-0.4 -0.724 24.2-124.4-118.2 170.8 36.9 -21.5 1.9 65 65 A I E +A 14 0A 0 20,-0.4 20,-3.1 32,-0.4 2,-0.3 -0.981 34.7 170.4-120.0 128.1 40.1 -20.7 -0.1 66 66 A A E -AE 13 84A 0 -53,-2.8 -53,-3.0 -2,-0.4 2,-0.8 -0.988 41.4-121.7-141.9 148.3 41.3 -17.1 -0.5 67 67 A V E > -AE 12 83A 0 16,-2.1 16,-2.3 -2,-0.3 3,-0.6 -0.822 31.7-172.6 -81.3 111.9 44.2 -15.0 -1.7 68 68 A V T 3 S+ 0 0 21 -57,-3.0 -1,-0.1 -2,-0.8 -56,-0.1 0.621 76.2 56.7 -91.8 -9.8 44.9 -13.1 1.5 69 69 A N T 3 S+ 0 0 62 -58,-0.5 -1,-0.2 14,-0.1 13,-0.1 0.152 73.6 123.2-107.7 16.1 47.5 -10.7 0.0 70 70 A F S < S- 0 0 26 -3,-0.6 3,-0.1 -59,-0.2 -60,-0.0 -0.573 74.5-108.4 -63.7 131.1 45.1 -9.3 -2.6 71 71 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.395 46.7 -85.9 -64.6 154.3 44.9 -5.5 -2.0 72 72 A P - 0 0 72 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.292 40.4-158.9 -63.8 142.0 41.5 -4.4 -0.5 73 73 A R E -H 80 0B 113 7,-2.5 7,-3.0 9,-0.1 2,-0.5 -0.980 10.2-139.6-118.5 141.1 38.6 -3.6 -2.8 74 74 A R E -H 79 0B 178 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.868 20.0-178.1-109.3 120.7 35.8 -1.4 -1.7 75 75 A I E > -H 78 0B 55 3,-2.8 3,-1.7 -2,-0.5 -49,-0.1 -0.975 65.5 -33.4-124.4 115.4 32.2 -2.4 -2.7 76 76 A A T 3 S- 0 0 62 -2,-0.5 -1,-0.1 1,-0.3 -51,-0.1 0.850 127.2 -38.7 42.7 54.8 29.1 -0.3 -1.8 77 77 A G T 3 S+ 0 0 88 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.482 118.7 109.2 82.1 5.6 30.5 0.9 1.6 78 78 A F E < -H 75 0B 19 -3,-1.7 -3,-2.8 2,-0.0 2,-0.8 -0.944 63.5-133.8-127.1 131.5 32.2 -2.5 2.5 79 79 A K E -H 74 0B 71 -2,-0.4 2,-0.9 -5,-0.2 -5,-0.2 -0.735 13.8-163.1 -90.8 107.2 35.9 -3.4 2.6 80 80 A S E +H 73 0B 12 -7,-3.0 -7,-2.5 -2,-0.8 -34,-0.2 -0.787 12.3 176.5 -91.7 109.3 36.7 -6.7 0.9 81 81 A E + 0 0 48 -36,-2.3 2,-0.3 -2,-0.9 -35,-0.2 0.665 59.0 32.7 -91.0 -21.0 40.2 -7.6 2.3 82 82 A V S S- 0 0 3 -37,-1.1 2,-0.8 -13,-0.1 -35,-0.3 -0.942 76.6-117.5-135.1 157.0 40.7 -11.0 0.7 83 83 A L E -E 67 0A 42 -16,-2.3 -16,-2.1 -2,-0.3 2,-0.5 -0.849 24.4-150.9 -98.4 105.5 39.8 -12.7 -2.6 84 84 A V E -E 66 0A 14 -2,-0.8 2,-0.3 -18,-0.2 -18,-0.3 -0.629 20.4-135.0 -74.9 121.0 37.6 -15.8 -2.0 85 85 A L + 0 0 6 -20,-3.1 12,-2.1 -2,-0.5 -20,-0.4 -0.596 34.0 153.5 -85.8 138.2 38.2 -18.3 -4.9 86 86 A G E -I 96 0C 1 133,-2.0 133,-2.5 10,-0.3 2,-0.3 -0.966 46.4 -96.9-148.7 164.5 35.5 -20.2 -6.8 87 87 A G E -IJ 95 218C 0 8,-3.0 8,-2.7 -2,-0.3 131,-0.2 -0.627 30.3-148.9 -77.2 140.6 34.8 -21.9 -10.1 88 88 A I E + J 0 217C 76 129,-2.4 129,-0.5 -2,-0.3 6,-0.2 -0.799 27.1 165.0-115.3 85.3 32.9 -19.6 -12.5 89 89 A P E - 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