==== 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 CELL ADHESION 16-JAN-06 2CCL . COMPND 2 MOLECULE: CELLULOSOMAL SCAFFOLDING PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR A.L.CARVALHO,F.M.V.DIAS,J.A.M.PRATES,L.M.A.FERREIRA,H.J.GILB . 422 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19425.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 27.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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-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 . 45 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 2 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 4 0 2 2 0 3 5 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 . 0 2 0 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 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 5 A G 0 0 74 0, 0.0 2,-0.3 0, 0.0 129,-0.2 0.000 360.0 360.0 360.0-133.0 18.5 -2.1 29.7 2 6 A V E -a 130 0A 1 127,-2.7 129,-2.2 118,-0.1 2,-0.5 -0.588 360.0-157.3 -81.2 137.8 18.8 -2.4 25.9 3 7 A V E -aB 131 24A 34 21,-2.5 21,-2.6 -2,-0.3 2,-0.6 -0.974 2.8-164.3-117.3 123.6 20.9 0.3 24.1 4 8 A V E -aB 132 23A 0 127,-2.9 129,-2.8 -2,-0.5 2,-0.5 -0.934 10.4-170.0-108.3 115.9 20.4 0.9 20.4 5 9 A E E -aB 133 22A 36 17,-2.5 17,-3.4 -2,-0.6 2,-0.5 -0.929 15.2-148.5-113.1 123.8 23.2 2.8 18.7 6 10 A I E - B 0 21A 0 127,-3.1 15,-0.2 -2,-0.5 130,-0.1 -0.787 31.3-121.8 -83.3 123.0 23.1 4.3 15.2 7 11 A G - 0 0 0 13,-3.0 129,-2.6 -2,-0.5 2,-0.5 -0.118 14.0-130.4 -62.1 160.2 26.6 4.2 13.7 8 12 A K E +e 136 0B 14 127,-0.2 348,-2.3 346,-0.2 2,-0.3 -0.978 34.5 167.5-118.0 122.7 28.4 7.3 12.5 9 13 A V E -e 137 0B 23 127,-2.7 129,-2.7 -2,-0.5 130,-0.4 -0.808 23.7-138.5-130.6 168.1 30.0 7.2 9.0 10 14 A T + 0 0 96 -2,-0.3 2,-0.2 127,-0.2 127,-0.0 -0.885 25.8 155.3-125.7 158.4 31.5 9.4 6.4 11 15 A G - 0 0 20 -2,-0.3 3,-0.1 6,-0.1 6,-0.1 -0.835 36.9-108.4 179.3 143.4 31.2 9.6 2.6 12 16 A S > - 0 0 91 -2,-0.2 3,-1.9 1,-0.1 92,-0.3 -0.359 53.9 -80.1 -73.3 155.7 31.5 11.9 -0.4 13 17 A V T 3 S+ 0 0 85 1,-0.2 92,-0.2 92,-0.1 -1,-0.1 -0.325 118.0 24.6 -54.3 131.3 28.5 13.1 -2.4 14 18 A G T 3 S+ 0 0 57 90,-3.1 -1,-0.2 1,-0.3 2,-0.2 0.262 98.7 111.1 95.0 -10.8 27.3 10.4 -4.9 15 19 A T < - 0 0 61 -3,-1.9 89,-2.8 89,-0.1 2,-0.4 -0.545 66.6-119.6 -93.1 160.7 28.7 7.4 -3.0 16 20 A T E - C 0 103A 82 87,-0.2 2,-0.3 -2,-0.2 87,-0.2 -0.847 30.8-172.9 -99.2 135.3 26.9 4.7 -1.1 17 21 A V E - C 0 102A 15 85,-3.0 85,-2.4 -2,-0.4 2,-0.5 -0.878 19.1-134.7-122.9 157.4 27.5 4.2 2.6 18 22 A E E - C 0 101A 87 -2,-0.3 83,-0.2 83,-0.2 -2,-0.0 -0.969 13.3-164.6-114.1 120.8 26.4 1.6 5.2 19 23 A I E - C 0 100A 0 81,-3.0 81,-2.7 -2,-0.5 2,-0.1 -0.891 15.2-150.4-105.1 105.6 25.0 2.8 8.6 20 24 A P E - C 0 99A 18 0, 0.0 -13,-3.0 0, 0.0 2,-0.6 -0.440 4.7-144.8 -76.8 149.2 25.0 -0.0 11.1 21 25 A V E -BC 6 98A 0 77,-2.8 76,-3.2 -15,-0.2 77,-1.0 -0.965 21.6-155.7-113.7 112.1 22.4 -0.2 13.9 22 26 A Y E -BC 5 96A 47 -17,-3.4 -17,-2.5 -2,-0.6 2,-0.5 -0.685 6.9-154.8 -94.1 140.5 24.0 -1.7 17.0 23 27 A F E +BC 4 95A 0 72,-2.9 72,-1.8 -2,-0.3 2,-0.3 -0.956 18.2 172.3-109.6 129.3 22.3 -3.5 19.9 24 28 A R E +B 3 0A 93 -21,-2.6 -21,-2.5 -2,-0.5 69,-0.0 -0.882 57.5 37.1-126.2 166.0 23.9 -3.6 23.3 25 29 A G S S- 0 0 39 -2,-0.3 -1,-0.1 -23,-0.2 3,-0.1 0.810 73.1-170.3 63.7 33.0 22.6 -4.9 26.7 26 30 A V - 0 0 24 -3,-0.2 -1,-0.2 1,-0.1 68,-0.1 -0.330 28.6-105.3 -54.7 130.6 20.7 -7.8 25.1 27 31 A P > - 0 0 16 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.087 18.4-114.5 -61.5 159.9 18.5 -9.3 27.8 28 32 A S T 3 S+ 0 0 122 1,-0.3 3,-0.1 -3,-0.1 -2,-0.1 0.687 121.4 44.2 -68.1 -19.7 19.3 -12.7 29.5 29 33 A K T 3 S- 0 0 99 1,-0.3 94,-2.3 62,-0.0 -1,-0.3 0.042 115.9-124.2-111.9 23.3 16.1 -14.1 27.9 30 34 A G < - 0 0 3 -3,-1.6 2,-0.5 92,-0.2 -1,-0.3 0.006 29.6 -66.2 74.9-176.7 16.9 -12.5 24.5 31 35 A I B +G 91 0C 0 60,-1.7 60,-2.3 91,-0.2 91,-0.3 -0.970 43.4 174.0-113.2 112.3 14.9 -10.2 22.2 32 36 A A S S+ 0 0 0 89,-2.3 50,-3.0 -2,-0.5 2,-0.3 0.774 70.1 0.3 -81.7 -32.2 11.8 -11.9 20.9 33 37 A N E +HI 81 121D 0 88,-1.4 88,-2.0 48,-0.2 2,-0.3 -0.994 56.5 174.5-156.9 152.0 10.5 -8.7 19.2 34 38 A C E -HI 80 120D 0 46,-2.4 46,-3.0 -2,-0.3 2,-0.4 -0.948 3.4-176.2-157.0 142.1 11.2 -5.0 18.6 35 39 A D E +H 79 0D 15 84,-1.0 83,-3.1 -2,-0.3 2,-0.3 -0.987 18.7 149.7-139.1 129.9 9.6 -2.3 16.6 36 40 A F E -HI 78 117D 2 42,-1.4 42,-2.5 -2,-0.4 2,-0.4 -0.977 31.8-132.9-153.8 164.8 10.9 1.3 16.2 37 41 A V E -HI 77 116D 6 79,-3.2 78,-2.8 -2,-0.3 79,-1.5 -0.979 14.1-164.2-126.7 130.7 11.0 4.2 13.8 38 42 A F E -HI 76 114D 0 38,-2.5 38,-2.3 -2,-0.4 2,-0.3 -0.861 13.2-138.0-108.3 152.4 14.0 6.4 12.7 39 43 A R E +HI 75 113D 58 74,-3.2 74,-2.4 -2,-0.3 2,-0.3 -0.800 24.7 169.0-105.6 151.4 13.9 9.8 11.0 40 44 A Y - 0 0 12 34,-1.9 72,-0.1 -2,-0.3 70,-0.0 -0.975 36.4-113.2-153.3 162.4 16.1 10.9 8.2 41 45 A D >> - 0 0 15 70,-0.4 4,-2.4 -2,-0.3 3,-1.7 -0.893 17.3-161.3-104.9 110.0 16.4 13.8 5.6 42 46 A P T 34 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 30,-0.0 0.604 89.0 67.2 -67.4 -13.4 15.8 12.5 2.1 43 47 A N T 34 S+ 0 0 105 1,-0.1 3,-0.1 3,-0.0 67,-0.0 0.758 114.9 28.6 -69.9 -28.2 17.5 15.7 0.7 44 48 A V T <4 S+ 0 0 7 -3,-1.7 61,-3.3 1,-0.3 62,-1.0 0.787 127.5 36.5-100.7 -38.9 20.7 14.5 2.2 45 49 A L E < -D 104 0A 0 -4,-2.4 2,-0.8 59,-0.2 -1,-0.3 -0.974 55.6-160.3-128.7 123.7 20.3 10.7 2.1 46 50 A E E -D 103 0A 104 57,-2.7 57,-2.8 -2,-0.4 2,-0.6 -0.888 22.0-149.4 -96.7 103.7 18.6 8.4 -0.4 47 51 A I E +D 102 0A 14 -2,-0.8 55,-0.3 55,-0.2 3,-0.1 -0.644 21.6 174.8 -78.1 115.4 18.0 5.2 1.5 48 52 A I E - 0 0 81 53,-2.1 2,-0.3 -2,-0.6 54,-0.2 0.665 58.7 -23.1 -98.0 -20.1 18.1 2.3 -1.0 49 53 A G E -D 101 0A 9 52,-1.5 52,-3.5 2,-0.0 2,-0.4 -0.954 44.5-133.4-179.8 162.5 17.8 -0.6 1.4 50 54 A I E -D 100 0A 15 -2,-0.3 50,-0.2 50,-0.2 17,-0.1 -0.988 23.0-162.8-130.5 121.1 18.1 -2.0 4.9 51 55 A D E -D 99 0A 51 48,-2.6 48,-2.6 -2,-0.4 2,-0.1 -0.794 26.1-107.7-102.5 145.9 19.7 -5.5 5.4 52 56 A P E -D 98 0A 44 0, 0.0 46,-0.3 0, 0.0 45,-0.1 -0.459 36.0-124.3 -68.0 142.0 19.4 -7.6 8.6 53 57 A G > - 0 0 4 44,-3.0 3,-1.6 -2,-0.1 44,-0.1 -0.261 29.1 -97.1 -79.0 173.6 22.5 -7.8 10.8 54 58 A D T 3 S+ 0 0 125 1,-0.3 43,-0.1 44,-0.1 -1,-0.1 0.550 116.3 73.0 -75.3 -5.8 24.2 -11.0 11.8 55 59 A I T 3 S+ 0 0 3 41,-1.5 2,-0.8 36,-0.1 37,-0.3 0.476 76.5 91.1 -81.8 -3.3 22.4 -11.1 15.2 56 60 A I < + 0 0 15 -3,-1.6 34,-0.1 40,-0.3 35,-0.1 -0.862 57.0 176.4 -89.5 107.7 19.3 -12.1 13.2 57 61 A V + 0 0 74 -2,-0.8 -1,-0.1 32,-0.4 33,-0.1 0.538 33.6 120.7 -99.7 -10.2 19.7 -15.9 13.3 58 62 A D - 0 0 7 31,-0.4 6,-0.1 1,-0.2 5,-0.1 -0.408 64.3-137.3 -54.0 118.6 16.5 -17.0 11.5 59 63 A P S S+ 0 0 89 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.675 106.5 44.9 -59.5 -18.9 17.9 -19.1 8.5 60 64 A N S > S- 0 0 101 1,-0.1 3,-2.0 0, 0.0 4,-0.5 -0.833 82.0-172.1-117.0 88.2 15.2 -17.3 6.5 61 65 A P G >> S+ 0 0 50 0, 0.0 4,-2.7 0, 0.0 3,-1.2 0.760 76.1 65.5 -54.7 -32.5 15.7 -13.7 7.8 62 66 A T G 34 S+ 0 0 123 1,-0.3 0, 0.0 2,-0.2 0, 0.0 0.642 92.3 63.6 -69.9 -16.3 12.6 -12.2 6.1 63 67 A K G <4 S+ 0 0 127 -3,-2.0 -1,-0.3 1,-0.1 3,-0.1 0.791 120.2 22.4 -70.9 -31.5 10.4 -14.4 8.3 64 68 A S T <4 S+ 0 0 7 -3,-1.2 17,-2.4 -4,-0.5 2,-0.4 0.684 123.3 53.3-105.2 -25.9 11.6 -12.6 11.4 65 69 A F E < +J 80 0D 10 -4,-2.7 2,-0.3 15,-0.2 15,-0.2 -0.953 54.5 155.7-127.1 127.6 12.9 -9.3 10.0 66 70 A D E -J 79 0D 87 13,-2.3 13,-2.7 -2,-0.4 2,-0.3 -0.986 12.8-171.0-145.2 153.7 11.2 -6.6 7.8 67 71 A T E -J 78 0D 28 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.902 8.6-151.3-135.6 167.3 11.6 -2.9 7.2 68 72 A A E -J 77 0D 12 9,-1.7 9,-2.6 -2,-0.3 2,-0.5 -0.993 6.1-152.1-142.9 137.4 9.8 -0.1 5.4 69 73 A I E -J 76 0D 57 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.941 10.6-177.9-113.5 125.7 11.1 3.1 3.8 70 74 A Y E >> +J 75 0D 27 5,-2.7 5,-1.7 -2,-0.5 4,-1.4 -0.792 8.6 173.0-124.8 88.0 9.0 6.3 3.5 71 75 A P T 45S+ 0 0 64 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.897 85.2 51.7 -58.4 -43.2 10.7 9.2 1.7 72 76 A D T 45S+ 0 0 156 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 0.842 118.1 38.4 -61.5 -35.6 7.5 11.3 1.7 73 77 A R T 45S- 0 0 120 2,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.554 105.2-132.3 -91.7 -12.4 7.2 10.7 5.4 74 78 A K T <5 + 0 0 67 -4,-1.4 -34,-1.9 1,-0.2 2,-0.3 0.799 66.4 111.9 64.5 33.3 10.9 11.0 6.1 75 79 A I E < -HJ 39 70D 11 -5,-1.7 -5,-2.7 -36,-0.2 2,-0.4 -0.928 52.8-153.9-133.5 157.0 11.0 7.8 8.2 76 80 A I E -HJ 38 69D 0 -38,-2.3 -38,-2.5 -2,-0.3 2,-0.4 -0.988 18.5-151.7-126.4 141.2 12.3 4.2 8.2 77 81 A V E -HJ 37 68D 2 -9,-2.6 -9,-1.7 -2,-0.4 2,-0.4 -0.920 4.4-159.3-121.1 138.8 10.5 1.5 10.2 78 82 A F E -HJ 36 67D 0 -42,-2.5 -42,-1.4 -2,-0.4 2,-0.4 -0.961 7.6-177.4-118.8 132.1 12.0 -1.7 11.7 79 83 A L E +HJ 35 66D 8 -13,-2.7 -13,-2.3 -2,-0.4 2,-0.4 -0.951 4.9 172.4-131.9 114.0 10.0 -4.8 12.7 80 84 A F E +HJ 34 65D 0 -46,-3.0 -46,-2.4 -2,-0.4 2,-0.3 -0.982 8.0 157.8-116.2 130.5 11.6 -7.8 14.3 81 85 A A E -H 33 0D 2 -17,-2.4 -48,-0.2 -2,-0.4 -49,-0.1 -0.793 44.5-120.8-150.6 104.4 9.5 -10.7 15.7 82 86 A E - 0 0 2 -50,-3.0 3,-0.4 -2,-0.3 8,-0.1 -0.202 22.0-152.3 -52.5 129.3 11.3 -14.1 16.0 83 87 A D S S+ 0 0 55 1,-0.2 -1,-0.1 6,-0.1 -19,-0.0 0.607 75.8 81.2 -90.3 -13.3 9.4 -16.5 13.8 84 88 A S S S- 0 0 31 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.869 82.0-142.8 -58.4 -39.1 10.1 -19.9 15.5 85 89 A G S S+ 0 0 4 -3,-0.4 -1,-0.1 92,-0.0 -2,-0.1 0.324 89.1 72.1 88.0 -5.6 7.4 -19.3 18.1 86 90 A T S S- 0 0 115 4,-0.0 -3,-0.1 0, 0.0 37,-0.0 0.441 115.2-101.3-117.5 -7.4 9.6 -21.0 20.7 87 91 A G S > S+ 0 0 12 -5,-0.1 3,-1.3 -55,-0.1 -56,-0.1 0.368 87.3 123.3 96.5 -1.0 12.3 -18.3 21.2 88 92 A A T 3 S+ 0 0 63 1,-0.3 -5,-0.0 -6,-0.1 -31,-0.0 0.797 76.1 43.1 -63.1 -31.7 14.8 -20.2 19.0 89 93 A Y T 3 S+ 0 0 71 2,-0.1 -32,-0.4 -57,-0.1 -31,-0.4 0.213 86.8 126.9-102.9 14.1 15.2 -17.2 16.6 90 94 A A S < S- 0 0 1 -3,-1.3 2,-0.5 -8,-0.1 -58,-0.2 -0.227 73.3 -97.5 -61.6 157.9 15.4 -14.5 19.4 91 95 A I B +G 31 0C 0 -60,-2.3 -60,-1.7 1,-0.1 -1,-0.1 -0.727 47.8 169.5 -78.7 124.7 18.4 -12.1 19.4 92 96 A T + 0 0 104 -2,-0.5 2,-0.3 -37,-0.3 -62,-0.1 0.555 52.9 45.0-118.1 -14.5 20.8 -13.6 22.0 93 97 A K S S- 0 0 127 -38,-0.2 -1,-0.1 -68,-0.0 2,-0.1 -0.921 81.7-102.6-130.7 156.7 24.0 -11.5 21.6 94 98 A D + 0 0 74 -2,-0.3 2,-0.3 -68,-0.1 -70,-0.2 -0.384 69.9 89.2 -64.4 153.9 25.1 -7.9 21.2 95 99 A G E S-C 23 0A 20 -72,-1.8 -72,-2.9 -2,-0.1 2,-0.5 -0.982 76.7 -14.6 151.5-159.5 26.0 -6.8 17.6 96 100 A V E +C 22 0A 30 -2,-0.3 -41,-1.5 -74,-0.2 -40,-0.3 -0.667 42.4 178.8 -83.1 119.9 24.6 -5.4 14.4 97 101 A F E - 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