==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTRUAL PROTEIN/HYDROLASE 22-DEC-10 2Y3N . COMPND 2 MOLECULE: CELLULOSOMAL SCAFFOLDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES CELLULOSOLVENS; . AUTHOR A.VIEGAS,A.L.CARVALHO,M.J.ROMAO,J.A.M.PRATES,C.M.G.A.FONTES . 453 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19506.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 29.4 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 . 2 0.4 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 . 47 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 2 2 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 2 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 PARALLEL BRIDGES PER LADDER . 10 9 0 2 4 2 2 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 . 4 0 0 0 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 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 S 0 0 130 0, 0.0 159,-0.2 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 175.7 3.8 32.3 -11.8 2 4 A G E -a 160 0A 5 157,-1.1 159,-1.8 25,-0.1 2,-0.3 -0.240 360.0-167.2 -70.9 164.1 1.0 29.7 -12.2 3 5 A S E -aB 161 26A 4 23,-2.5 23,-2.8 157,-0.3 2,-0.5 -0.994 28.9-139.0-144.3 158.7 -2.1 30.1 -14.4 4 6 A V E +aB 162 25A 0 157,-3.1 159,-3.2 -2,-0.3 2,-0.3 -0.991 39.5 177.8-104.1 125.2 -5.5 28.7 -15.2 5 7 A L E - B 0 24A 54 19,-2.3 19,-3.5 -2,-0.5 2,-0.3 -0.943 11.8-162.3-129.6 150.6 -5.6 28.8 -19.1 6 8 A T E - B 0 23A 30 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.892 5.4-174.0-133.6 152.4 -8.3 27.6 -21.4 7 9 A A E - B 0 22A 53 15,-2.0 15,-2.8 -2,-0.3 2,-0.3 -0.984 9.8-149.8-137.3 158.3 -8.5 26.7 -25.1 8 10 A I E - B 0 21A 52 -2,-0.3 13,-0.2 13,-0.2 3,-0.1 -0.931 18.8-133.3-125.2 159.7 -11.1 25.8 -27.6 9 11 A D S S+ 0 0 111 11,-0.8 2,-0.3 -2,-0.3 12,-0.1 0.634 89.8 3.4 -84.8 -16.1 -11.0 23.6 -30.7 10 12 A N - 0 0 82 10,-0.1 -1,-0.2 1,-0.0 10,-0.0 -0.929 50.0-159.8-164.1 142.5 -12.9 26.1 -33.0 11 13 A D S S+ 0 0 61 -2,-0.3 158,-3.6 -3,-0.1 2,-0.5 0.337 75.9 77.4-109.8 9.1 -14.2 29.6 -32.6 12 14 A K E +g 169 0B 91 156,-0.2 2,-0.4 159,-0.0 159,-0.1 -0.977 62.8 171.2-117.3 118.6 -16.7 29.6 -35.5 13 15 A V E -g 170 0B 5 156,-3.0 158,-1.8 -2,-0.5 109,-0.3 -0.938 23.1-157.7-134.4 141.7 -19.9 27.7 -34.7 14 16 A A > - 0 0 37 -2,-0.4 3,-2.0 156,-0.2 104,-0.3 -0.735 51.9 -69.4-105.5 167.4 -23.3 27.1 -36.2 15 17 A V T 3 S+ 0 0 85 -2,-0.3 104,-0.2 1,-0.2 3,-0.1 -0.336 123.5 21.7 -54.5 132.0 -26.4 26.0 -34.4 16 18 A G T 3 S+ 0 0 36 102,-3.3 -1,-0.2 1,-0.4 2,-0.1 0.271 93.7 125.0 90.1 -6.5 -26.0 22.4 -33.2 17 19 A D < - 0 0 52 -3,-2.0 101,-3.0 101,-0.1 2,-0.4 -0.449 54.9-132.4 -75.2 161.9 -22.2 22.4 -33.4 18 20 A K E - C 0 117A 92 99,-0.2 2,-0.4 -2,-0.1 99,-0.2 -0.928 16.4-168.2-118.9 135.7 -20.2 21.5 -30.3 19 21 A V E - C 0 116A 1 97,-2.2 97,-2.6 -2,-0.4 2,-0.6 -0.984 12.0-147.1-124.7 134.7 -17.2 23.4 -29.0 20 22 A T E - C 0 115A 30 -2,-0.4 2,-0.8 95,-0.2 -11,-0.8 -0.915 2.3-155.2-109.1 119.9 -14.9 21.9 -26.3 21 23 A L E -BC 8 114A 0 93,-3.7 93,-2.7 -2,-0.6 2,-0.5 -0.854 10.8-155.7 -93.3 111.0 -13.3 24.2 -23.7 22 24 A T E -BC 7 113A 38 -15,-2.8 -15,-2.0 -2,-0.8 2,-0.6 -0.809 5.9-154.1 -84.2 125.9 -10.1 22.6 -22.4 23 25 A I E -BC 6 112A 0 89,-3.2 88,-3.0 -2,-0.5 89,-1.3 -0.923 16.2-176.1-106.9 119.6 -9.2 23.9 -19.0 24 26 A N E -BC 5 110A 45 -19,-3.5 -19,-2.3 -2,-0.6 2,-0.4 -0.818 20.1-151.8-111.6 147.1 -5.5 23.7 -18.0 25 27 A V E -BC 4 109A 1 84,-2.7 84,-2.6 -2,-0.3 2,-0.4 -0.947 18.4-162.1-105.9 144.6 -3.5 24.5 -15.0 26 28 A D E -B 3 0A 35 -23,-2.8 -23,-2.5 -2,-0.4 82,-0.2 -0.993 63.9 -11.6-130.2 128.1 0.1 25.6 -15.6 27 29 A K S S+ 0 0 123 -2,-0.4 2,-1.0 -25,-0.2 81,-0.2 0.825 75.9 152.8 55.9 40.4 2.9 25.6 -13.0 28 30 A I > - 0 0 1 79,-2.4 3,-1.2 -25,-0.1 -1,-0.2 -0.847 44.2-133.9 -99.1 97.0 0.6 25.0 -9.9 29 31 A T T 3 S- 0 0 79 -2,-1.0 78,-0.1 1,-0.2 121,-0.1 -0.158 76.9 -4.4 -56.7 134.9 3.1 23.3 -7.6 30 32 A N T 3 S- 0 0 43 1,-0.2 120,-1.2 119,-0.2 -1,-0.2 0.868 88.4-167.3 50.7 40.2 1.9 20.2 -5.8 31 33 A F E < +HI 106 149C 0 75,-2.3 75,-0.7 -3,-1.2 118,-0.3 -0.403 21.8 165.4 -63.1 136.6 -1.6 20.7 -7.2 32 34 A S E - 0 0 0 116,-2.3 61,-2.4 1,-0.4 2,-0.3 0.434 56.6 -15.8-128.8 -9.9 -4.2 18.5 -5.6 33 35 A G E -JI 92 148C 0 115,-0.9 115,-2.1 59,-0.3 -1,-0.4 -0.914 48.8-157.6 170.9 157.2 -7.6 19.9 -6.5 34 36 A Y E -JI 91 147C 1 57,-2.2 57,-1.0 -2,-0.3 2,-0.3 -0.950 5.9-156.3-143.5 164.0 -9.6 22.7 -8.0 35 37 A Q E -JI 90 146C 0 111,-2.0 111,-2.3 -2,-0.3 2,-0.4 -0.963 15.5-170.9-139.0 137.8 -13.1 24.1 -8.0 36 38 A F E -JI 89 145C 0 53,-2.9 53,-1.9 -2,-0.3 2,-0.5 -0.941 15.8-160.2-119.5 149.2 -14.5 26.4 -10.8 37 39 A N E -J 88 0C 2 107,-2.1 96,-1.6 -2,-0.4 2,-0.5 -0.997 22.2-173.2-119.6 121.4 -17.7 28.4 -11.2 38 40 A I E -JK 87 132C 0 49,-2.3 49,-2.8 -2,-0.5 2,-0.5 -0.973 12.2-153.5-127.2 124.1 -18.2 29.0 -14.8 39 41 A K E +JK 86 131C 72 92,-3.0 92,-1.8 -2,-0.5 2,-0.3 -0.851 18.8 174.1-100.5 124.0 -20.9 31.3 -16.2 40 42 A Y - 0 0 9 45,-3.0 2,-0.7 -2,-0.5 90,-0.1 -0.860 38.7-100.0-123.0 167.0 -22.2 30.7 -19.7 41 43 A N >> - 0 0 61 88,-0.3 4,-2.4 87,-0.3 3,-0.9 -0.774 23.9-162.1 -92.4 113.4 -25.1 32.3 -21.8 42 44 A T T 34 S+ 0 0 57 -2,-0.7 -1,-0.1 1,-0.3 43,-0.1 0.659 85.9 68.8 -70.4 -19.8 -28.2 30.0 -21.6 43 45 A T T 34 S+ 0 0 66 1,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.885 118.0 16.7 -58.4 -41.1 -29.6 31.8 -24.6 44 46 A Y T <4 S+ 0 0 43 -3,-0.9 75,-3.0 1,-0.1 76,-0.9 0.683 121.4 50.5-111.0 -24.4 -26.9 30.4 -27.0 45 47 A L E < -D 118 0A 3 -4,-2.4 73,-0.2 73,-0.2 -1,-0.1 -0.899 44.9-172.6-130.6 153.1 -25.3 27.4 -25.2 46 48 A Q E -D 117 0A 75 71,-1.7 71,-3.1 -2,-0.3 2,-0.1 -0.981 33.9-118.7-138.4 122.9 -26.0 24.2 -23.5 47 49 A P E -D 116 0A 3 0, 0.0 9,-2.2 0, 0.0 2,-0.4 -0.414 34.2-155.0 -65.7 143.9 -23.4 22.2 -21.7 48 50 A W E -DE 115 55A 28 67,-2.9 2,-0.8 7,-0.3 67,-0.5 -0.961 15.4-134.9-135.5 121.7 -23.2 18.8 -23.3 49 51 A D E >> - E 0 54A 30 5,-3.5 4,-1.4 -2,-0.4 5,-1.3 -0.717 16.3-168.3 -81.0 108.6 -22.0 15.5 -21.9 50 52 A T T 45S+ 0 0 66 -2,-0.8 -1,-0.2 3,-0.2 5,-0.0 0.775 83.8 55.8 -71.6 -27.4 -19.8 14.0 -24.6 51 53 A I T 45S+ 0 0 127 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.999 122.7 25.1 -61.6 -66.0 -19.6 10.6 -22.8 52 54 A A T 45S- 0 0 60 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.577 102.1-131.9 -74.5 -14.1 -23.4 10.1 -22.7 53 55 A D T <5 + 0 0 87 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.981 68.7 106.1 53.3 64.2 -24.0 12.3 -25.7 54 56 A E E - 0 0 76 -3,-0.1 3,-1.5 25,-0.0 23,-0.1 -0.644 43.1 -86.7-105.9-178.3 -28.1 17.4 -15.7 58 60 A D T 3 S+ 0 0 100 1,-0.3 22,-3.1 -2,-0.3 -2,-0.1 0.595 128.3 38.4 -69.7 -11.1 -27.4 19.4 -12.6 59 61 A S T 3 S+ 0 0 68 20,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.334 80.2 134.7-122.2 12.1 -24.8 17.0 -11.3 60 62 A T < - 0 0 15 -3,-1.5 -4,-0.1 1,-0.1 19,-0.1 -0.375 49.2-137.7 -61.8 130.0 -23.1 16.0 -14.6 61 63 A M - 0 0 25 -2,-0.1 3,-0.1 17,-0.1 17,-0.1 -0.727 19.4-119.5 -87.6 132.5 -19.3 16.0 -14.3 62 64 A P - 0 0 1 0, 0.0 52,-0.2 0, 0.0 -13,-0.1 -0.297 45.5 -81.7 -60.9 161.5 -17.3 17.6 -17.2 63 65 A D E -F 113 0A 59 50,-1.5 50,-2.0 1,-0.1 2,-0.1 -0.192 53.6-110.1 -61.4 155.2 -14.9 15.2 -19.0 64 66 A Y E -F 112 0A 72 48,-0.2 48,-0.3 1,-0.1 47,-0.1 -0.412 21.2-151.0 -88.1 164.2 -11.5 14.7 -17.4 65 67 A G - 0 0 13 46,-0.7 46,-0.2 2,-0.4 -1,-0.1 -0.044 45.1 -80.9-105.7-147.5 -8.0 15.8 -18.4 66 68 A T S > S+ 0 0 106 44,-1.1 3,-0.6 -2,-0.1 45,-0.2 0.669 104.4 81.8 -99.2 -19.8 -4.6 14.1 -17.7 67 69 A L T 3 S+ 0 0 15 43,-2.4 -2,-0.4 1,-0.2 42,-0.0 -0.503 87.7 25.6 -86.7 158.7 -4.4 15.6 -14.1 68 70 A L T 3 S+ 0 0 0 -2,-0.2 -1,-0.2 -37,-0.1 24,-0.1 0.810 85.8 117.8 65.5 28.6 -6.0 14.2 -11.0 69 71 A Q < + 0 0 88 -3,-0.6 -2,-0.1 2,-0.0 -1,-0.1 0.433 44.2 106.8-104.4 0.5 -6.1 10.8 -12.6 70 72 A G S S- 0 0 32 1,-0.1 2,-0.6 2,-0.1 4,-0.5 0.014 84.5 -96.6 -71.8-178.2 -3.9 9.1 -10.0 71 73 A R S S+ 0 0 87 1,-0.2 226,-0.1 2,-0.1 -1,-0.1 -0.325 83.5 112.4-103.9 47.4 -4.9 6.6 -7.4 72 74 A F S S- 0 0 25 -2,-0.6 23,-2.3 26,-0.0 22,-0.3 -0.388 102.1 -82.7-115.7 53.0 -5.3 8.9 -4.4 73 75 A N - 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