==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 21-OCT-09 3KCP . COMPND 2 MOLECULE: CELLULOSOMAL-SCAFFOLDING PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM ATCC 27405; . AUTHOR J.J.ADAMS,M.A.CURRIE,E.A.BAYER,Z.JIA,S.P.SMITH . 466 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 31.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 50 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 1 0 1 2 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 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 7 4 1 3 5 3 3 2 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 2 1 2 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 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 8 A K 0 0 146 0, 0.0 2,-0.1 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 130.6 82.6 8.9 60.9 2 9 A L + 0 0 4 130,-0.5 132,-2.8 23,-0.2 2,-0.4 -0.329 360.0 178.1 -60.1 121.0 79.9 8.9 58.1 3 10 A T E -Ab 24 134A 18 21,-2.5 21,-2.1 130,-0.3 2,-0.5 -0.992 22.8-157.1-131.4 134.5 81.4 10.2 54.9 4 11 A L E -Ab 23 135A 0 130,-3.2 132,-2.2 -2,-0.4 2,-0.5 -0.958 20.6-171.1-112.4 116.2 80.0 10.6 51.4 5 12 A K E -Ab 22 136A 79 17,-2.7 17,-2.8 -2,-0.5 2,-0.5 -0.945 20.4-151.2-117.4 121.5 82.7 10.6 48.7 6 13 A I E -A 21 0A 2 130,-3.2 15,-0.2 -2,-0.5 109,-0.1 -0.769 32.6-140.9 -77.7 125.7 82.3 11.4 45.0 7 14 A G - 0 0 5 13,-3.2 132,-2.3 -2,-0.5 2,-0.3 0.090 8.2-110.1 -78.5-169.7 85.1 9.5 43.3 8 15 A R E +e 139 0B 177 130,-0.2 2,-0.3 10,-0.1 132,-0.2 -0.889 27.5 178.5-126.1 149.3 87.5 10.3 40.4 9 16 A A E -e 140 0B 19 130,-1.3 132,-3.2 -2,-0.3 2,-0.4 -0.937 16.6-142.6-144.2 169.3 87.8 9.0 36.9 10 17 A E E +e 141 0B 118 -2,-0.3 2,-0.3 130,-0.3 132,-0.2 -1.000 30.5 149.1-141.4 130.6 90.0 9.8 33.9 11 18 A G E -e 142 0B 4 130,-1.9 132,-2.0 -2,-0.4 134,-0.2 -0.902 37.7-122.9-152.1 171.9 88.9 9.9 30.3 12 19 A R > - 0 0 87 -2,-0.3 3,-2.2 130,-0.2 92,-0.3 -0.803 57.3 -73.1-113.7 161.1 89.5 11.5 26.9 13 20 A P T 3 S+ 0 0 36 0, 0.0 92,-0.2 0, 0.0 93,-0.2 -0.359 126.5 26.3 -52.8 134.5 86.7 13.2 24.9 14 21 A G T 3 S+ 0 0 30 90,-2.2 92,-0.1 1,-0.3 91,-0.1 0.097 96.1 122.9 92.0 -20.7 84.4 10.5 23.6 15 22 A D < - 0 0 72 -3,-2.2 89,-3.2 90,-0.1 2,-0.5 -0.390 60.3-132.2 -71.3 146.3 85.3 8.0 26.5 16 23 A T E - C 0 103A 80 87,-0.3 2,-0.3 -3,-0.1 87,-0.3 -0.897 31.1-172.0 -96.9 131.9 82.7 6.6 28.8 17 24 A V E - C 0 102A 9 85,-3.4 85,-2.8 -2,-0.5 2,-0.5 -0.888 18.1-141.1-127.3 153.0 83.8 6.9 32.4 18 25 A E E - C 0 101A 119 -2,-0.3 83,-0.2 83,-0.2 -8,-0.1 -0.979 11.2-167.2-120.6 125.9 82.4 5.6 35.7 19 26 A I E - C 0 100A 0 81,-3.1 81,-3.2 -2,-0.5 -10,-0.1 -0.948 15.5-145.2-117.4 111.0 82.5 7.8 38.8 20 27 A P E - C 0 99A 40 0, 0.0 -13,-3.2 0, 0.0 2,-0.5 -0.388 2.4-150.2 -76.6 150.3 81.8 5.9 42.0 21 28 A V E -AC 6 98A 0 77,-2.6 76,-2.7 -15,-0.2 77,-1.7 -1.000 25.8-166.0-119.7 116.0 79.9 7.4 44.9 22 29 A N E -AC 5 96A 23 -17,-2.8 -17,-2.7 -2,-0.5 2,-0.4 -0.805 17.7-154.6-108.7 148.3 81.1 5.9 48.1 23 30 A L E -AC 4 95A 0 72,-2.5 72,-2.5 -2,-0.3 2,-0.3 -0.992 17.1-178.6-117.2 135.3 79.9 5.8 51.7 24 31 A Y E +A 3 0A 83 -21,-2.1 -21,-2.5 -2,-0.4 69,-0.0 -0.904 60.9 25.9-126.6 156.4 82.4 5.2 54.6 25 32 A G S S- 0 0 27 -2,-0.3 -23,-0.2 -23,-0.2 -1,-0.1 0.845 72.9-174.5 61.0 38.5 81.9 4.9 58.3 26 33 A V - 0 0 8 -3,-0.2 -1,-0.2 -25,-0.1 68,-0.2 -0.467 29.6-110.2 -66.6 129.7 78.2 3.7 58.0 27 34 A P > - 0 0 30 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.252 16.1-117.2 -63.0 154.2 76.8 3.5 61.5 28 35 A Q T 3 S+ 0 0 189 1,-0.3 3,-0.1 2,-0.1 -2,-0.1 0.850 116.8 61.7 -54.2 -41.6 76.0 0.1 63.2 29 36 A K T 3 S- 0 0 121 1,-0.1 97,-0.7 96,-0.0 -1,-0.3 0.580 111.3-128.6 -60.7 -11.5 72.3 1.2 63.3 30 37 A G < - 0 0 0 -3,-2.2 2,-0.5 62,-0.1 96,-0.5 0.011 18.3 -86.4 78.5 164.6 72.4 1.3 59.4 31 38 A I B +G 91 0C 0 60,-2.9 60,-3.4 94,-0.2 94,-0.3 -0.967 39.1 174.5-112.1 125.1 71.4 4.2 57.1 32 39 A A + 0 0 7 92,-2.6 50,-3.5 -2,-0.5 2,-0.3 0.629 64.6 13.0-103.4 -22.2 67.7 4.2 56.1 33 40 A S E +HI 81 124D 39 91,-1.6 91,-2.1 48,-0.2 2,-0.3 -0.992 55.4 162.1-152.0 156.1 67.5 7.5 54.2 34 41 A G E -HI 80 123D 5 46,-2.4 46,-2.7 -2,-0.3 2,-0.3 -0.935 10.5-167.5-168.2 153.5 69.6 10.2 52.6 35 42 A D E +H 79 0D 59 87,-1.0 86,-3.0 -2,-0.3 87,-0.3 -0.965 19.2 146.8-148.9 134.1 69.2 13.0 50.0 36 43 A F E -HI 78 120D 3 42,-1.8 42,-3.3 -2,-0.3 2,-0.4 -0.961 33.2-129.0-157.5 170.6 71.7 15.1 48.3 37 44 A V E -HI 77 119D 9 82,-3.0 81,-1.6 -2,-0.3 82,-1.6 -0.976 14.2-158.2-130.0 133.6 72.4 16.9 45.0 38 45 A V E -HI 76 117D 0 38,-2.6 38,-3.0 -2,-0.4 2,-0.3 -0.913 7.4-153.2-109.1 141.0 75.5 16.7 42.9 39 46 A S E +HI 75 116D 27 77,-2.9 77,-1.8 -2,-0.4 2,-0.3 -0.870 19.4 169.6-111.6 149.6 76.5 19.3 40.4 40 47 A Y - 0 0 14 34,-1.5 75,-0.1 -2,-0.3 74,-0.1 -0.881 39.9 -98.9-145.4 178.2 78.5 18.7 37.2 41 48 A D >> - 0 0 51 -2,-0.3 4,-3.0 73,-0.2 3,-1.4 -0.908 23.8-168.7-110.0 105.4 79.6 20.4 34.0 42 49 A P T 34 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 30,-0.0 0.482 85.5 69.5 -77.2 -2.1 77.4 19.3 31.2 43 50 A N T 34 S+ 0 0 115 1,-0.1 64,-0.1 62,-0.0 3,-0.1 0.770 114.7 27.2 -70.4 -36.9 79.9 20.9 28.8 44 51 A V T <4 S+ 0 0 6 -3,-1.4 61,-3.1 1,-0.2 2,-0.4 0.862 125.2 43.0 -91.9 -46.3 82.3 18.1 29.8 45 52 A L E < -D 104 0A 1 -4,-3.0 2,-0.6 59,-0.2 59,-0.2 -0.866 49.9-163.5-117.9 135.2 79.9 15.2 30.7 46 53 A E E -D 103 0A 100 57,-2.8 57,-2.6 -2,-0.4 2,-0.4 -0.955 29.2-136.2-103.2 115.8 76.8 13.7 29.4 47 54 A I E -D 102 0A 23 -2,-0.6 55,-0.3 55,-0.2 3,-0.1 -0.600 23.6-179.2 -73.7 127.7 75.3 11.6 32.2 48 55 A I E - 0 0 75 53,-2.8 2,-0.3 -2,-0.4 54,-0.2 0.889 60.5 -39.0 -92.1 -54.7 74.1 8.3 30.8 49 56 A E E -D 101 0A 106 52,-1.4 52,-2.6 50,-0.1 2,-0.6 -0.970 45.0-123.3-163.3 165.2 72.7 6.7 33.9 50 57 A I E -D 100 0A 13 -2,-0.3 50,-0.2 50,-0.2 17,-0.1 -0.973 29.4-151.7-115.5 116.8 73.3 6.3 37.6 51 58 A E E -D 99 0A 71 48,-2.6 48,-2.4 -2,-0.6 2,-0.1 -0.713 21.0-114.4 -86.5 134.3 73.6 2.7 38.7 52 59 A P E -D 98 0A 54 0, 0.0 46,-0.3 0, 0.0 45,-0.1 -0.488 40.3-126.1 -62.9 137.6 72.6 1.7 42.2 53 60 A G > - 0 0 9 44,-2.6 3,-2.4 -2,-0.1 44,-0.2 -0.223 26.7 -90.2 -79.8 176.5 75.6 0.5 44.0 54 61 A E T 3 S+ 0 0 139 1,-0.3 43,-0.2 44,-0.1 -1,-0.1 0.771 123.2 67.0 -55.4 -30.6 76.3 -2.8 45.9 55 62 A L T 3 S+ 0 0 9 41,-2.2 2,-0.9 1,-0.1 -1,-0.3 0.604 79.6 89.5 -66.2 -13.6 75.1 -1.0 49.0 56 63 A I < + 0 0 17 -3,-2.4 34,-0.1 40,-0.3 -1,-0.1 -0.808 51.3 170.4 -93.5 104.9 71.5 -0.9 47.5 57 64 A V + 0 0 77 -2,-0.9 -1,-0.1 32,-0.4 33,-0.1 0.433 32.5 118.9-105.1 -1.3 70.0 -4.2 48.7 58 65 A D - 0 0 13 31,-0.3 6,-0.1 1,-0.2 7,-0.1 -0.507 65.3-137.2 -60.0 121.1 66.4 -3.6 47.6 59 66 A P S S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.806 110.1 42.1 -52.0 -31.5 65.6 -6.4 45.1 60 67 A N S > S- 0 0 103 1,-0.1 3,-2.1 2,-0.0 4,-0.5 -0.846 84.8-174.1-108.4 87.3 63.8 -3.6 43.1 61 68 A P G >> S+ 0 0 45 0, 0.0 4,-2.7 0, 0.0 3,-1.4 0.801 76.1 65.7 -58.1 -32.1 66.6 -1.0 43.7 62 69 A T G 34 S+ 0 0 85 1,-0.3 -2,-0.0 2,-0.2 0, 0.0 0.735 92.3 63.2 -61.6 -25.8 64.6 1.8 42.1 63 70 A K G <4 S+ 0 0 120 -3,-2.1 -1,-0.3 1,-0.2 3,-0.1 0.786 119.3 23.8 -69.3 -27.7 62.0 1.5 44.9 64 71 A S T <4 S+ 0 0 4 -3,-1.4 17,-2.6 -4,-0.5 2,-0.4 0.631 127.7 42.6-105.9 -27.3 64.7 2.5 47.5 65 72 A F E < +J 80 0D 5 -4,-2.7 2,-0.3 15,-0.2 -1,-0.2 -0.981 61.6 157.1-133.1 116.2 67.2 4.5 45.3 66 73 A D E -J 79 0D 89 13,-2.3 13,-2.8 -2,-0.4 2,-0.3 -0.991 16.6-164.5-141.6 157.2 66.5 7.0 42.6 67 74 A T E -J 78 0D 28 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.875 8.7-152.0-127.0 156.8 68.2 9.8 40.8 68 75 A A E -J 77 0D 29 9,-1.4 9,-2.8 -2,-0.3 2,-0.5 -0.959 11.2-153.8-136.4 115.8 67.0 12.6 38.7 69 76 A V E -J 76 0D 50 -2,-0.4 7,-0.2 7,-0.2 -2,-0.0 -0.828 12.5-178.8 -94.2 127.0 69.4 14.0 36.1 70 77 A Y E >>> +J 75 0D 102 5,-3.0 5,-1.8 -2,-0.5 3,-1.0 -0.806 3.8 179.5-125.5 83.9 68.7 17.6 35.1 71 78 A P G >45S+ 0 0 73 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.886 83.7 53.5 -56.6 -38.9 71.3 18.6 32.4 72 79 A D G 345S+ 0 0 128 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.770 113.7 43.1 -65.8 -28.2 69.9 22.1 32.0 73 80 A R G <45S- 0 0 156 -3,-1.0 -1,-0.3 2,-0.2 3,-0.1 0.504 107.1-129.5 -92.4 -7.2 70.2 22.6 35.8 74 81 A K T <<5 + 0 0 113 -4,-0.9 -34,-1.5 -3,-0.8 2,-0.3 0.869 68.9 119.2 60.7 38.0 73.7 21.0 35.8 75 82 A M E < -HJ 39 70D 61 -5,-1.8 -5,-3.0 -36,-0.2 2,-0.5 -0.979 54.1-158.7-142.0 144.1 72.4 18.7 38.7 76 83 A I E -HJ 38 69D 1 -38,-3.0 -38,-2.6 -2,-0.3 2,-0.5 -0.984 18.8-150.5-120.6 122.1 71.8 15.2 39.7 77 84 A V E -HJ 37 68D 39 -9,-2.8 -9,-1.4 -2,-0.5 2,-0.5 -0.756 10.8-163.9 -91.1 120.1 69.3 14.7 42.6 78 85 A F E +HJ 36 67D 1 -42,-3.3 -42,-1.8 -2,-0.5 2,-0.4 -0.912 9.3 179.4-105.2 131.2 70.0 11.5 44.7 79 86 A L E -HJ 35 66D 99 -13,-2.8 -13,-2.3 -2,-0.5 2,-0.4 -0.999 3.6-179.2-132.2 131.4 67.3 10.2 47.0 80 87 A F E +HJ 34 65D 7 -46,-2.7 -46,-2.4 -2,-0.4 2,-0.3 -0.998 11.8 157.7-127.1 132.0 67.6 7.1 49.1 81 88 A A E -H 33 0D 56 -17,-2.6 -48,-0.2 -2,-0.4 -49,-0.1 -0.782 46.5-118.8-152.5 106.1 64.8 5.8 51.4 82 89 A E > - 0 0 27 -50,-3.5 3,-0.7 -2,-0.3 5,-0.2 -0.263 28.5-154.2 -44.6 117.4 64.9 2.0 52.4 83 90 A D T 3 S+ 0 0 86 1,-0.2 -1,-0.2 6,-0.2 -19,-0.0 0.481 74.4 80.9 -86.9 -1.6 61.6 0.9 50.8 84 91 A S T 3 S- 0 0 38 1,-0.1 -1,-0.2 -20,-0.0 -2,-0.1 0.798 84.9-139.2 -77.5 -32.3 60.8 -2.1 53.1 85 92 A G S < S+ 0 0 67 -3,-0.7 -2,-0.1 1,-0.0 -1,-0.1 0.400 89.4 69.1 90.3 0.8 59.4 0.0 55.9 86 93 A T S S- 0 0 121 4,-0.0 -3,-0.1 0, 0.0 40,-0.0 0.280 115.8 -96.4-131.5 3.6 61.1 -2.1 58.5 87 94 A G S > S+ 0 0 15 -5,-0.2 3,-1.6 -55,-0.1 39,-0.1 0.401 86.4 126.0 94.9 -2.4 64.8 -1.3 58.1 88 95 A A T 3 S+ 0 0 64 1,-0.3 -5,-0.0 -6,-0.1 -56,-0.0 0.753 76.7 38.7 -66.4 -29.1 65.4 -4.4 55.9 89 96 A Y T 3 S+ 0 0 67 -57,-0.1 -32,-0.4 2,-0.1 -1,-0.3 0.087 85.9 132.5-111.6 20.6 67.0 -2.5 53.0 90 97 A A < - 0 0 4 -3,-1.6 2,-0.5 -8,-0.1 -58,-0.2 -0.380 69.3-102.9 -64.8 147.4 68.9 -0.0 55.1 91 98 A I B +G 31 0C 1 -60,-3.4 -60,-2.9 1,-0.1 -1,-0.1 -0.701 48.0 166.8 -76.4 125.0 72.5 0.5 54.2 92 99 A T + 0 0 90 -2,-0.5 2,-0.3 -62,-0.2 -62,-0.1 0.478 53.1 48.9-120.1 -9.8 74.6 -1.5 56.8 93 100 A E S S- 0 0 133 -38,-0.1 2,-0.1 -68,-0.0 -70,-0.1 -0.929 81.7-104.3-134.1 152.3 78.1 -1.6 55.3 94 101 A D + 0 0 79 -2,-0.3 2,-0.3 -68,-0.2 -70,-0.2 -0.413 69.1 85.6 -64.2 149.7 80.6 0.8 53.8 95 102 A G E S-C 23 0A 11 -72,-2.5 -72,-2.5 -2,-0.1 2,-0.6 -0.984 77.4 -12.4 153.6-161.3 81.0 0.6 50.0 96 103 A V E -C 22 0A 32 -2,-0.3 -41,-2.2 -74,-0.2 -40,-0.3 -0.642 43.4-179.9 -79.1 114.3 79.7 1.9 46.6 97 104 A F E - 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