==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 08-JUL-04 1TYJ . COMPND 2 MOLECULE: CELLULOSOMAL SCAFFOLDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES CELLULOSOLVENS; . AUTHOR I.NOACH,F.FROLOW,H.JAKOBY,S.ROSENHECK,L.J.W.SHIMON,R.LAMED, . 170 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 37.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 16 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 4 0 1 2 1 1 1 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 0 0 0 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 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 2 A G 0 0 39 0, 0.0 159,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-168.1 12.1 19.2 37.0 2 3 A S E -Ab 25 160A 6 23,-2.2 23,-2.2 157,-0.2 2,-0.5 -0.988 360.0-131.2-152.8 157.4 11.7 19.4 33.2 3 4 A V E +Ab 24 161A 0 157,-2.1 159,-3.2 -2,-0.3 2,-0.3 -0.967 47.3 163.7-101.6 131.2 12.7 18.3 29.8 4 5 A L E -A 23 0A 56 19,-2.3 19,-3.6 -2,-0.5 2,-0.3 -0.975 21.6-144.9-150.6 164.7 13.5 21.4 27.8 5 6 A T E -A 22 0A 33 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.817 5.6-151.5-133.4 165.4 15.2 22.5 24.6 6 7 A A E -A 21 0A 47 15,-2.0 15,-2.9 -2,-0.3 2,-0.5 -0.991 11.5-148.0-137.1 142.7 17.2 25.1 22.9 7 8 A I E -A 20 0A 37 -2,-0.4 3,-0.2 13,-0.2 13,-0.2 -0.942 6.7-151.6-110.0 129.6 17.4 26.0 19.2 8 9 A D S S+ 0 0 92 11,-1.6 2,-0.4 -2,-0.5 -1,-0.1 0.940 83.6 14.6 -71.7 -45.2 20.8 27.3 17.9 9 10 A N - 0 0 71 10,-0.2 -1,-0.3 1,-0.1 10,-0.0 -0.948 58.5-166.5-142.7 115.6 19.4 29.5 15.1 10 11 A D S S+ 0 0 88 -2,-0.4 158,-2.9 -3,-0.2 2,-0.5 0.524 76.1 63.8 -57.7 -29.0 15.7 30.5 14.7 11 12 A K E +g 168 0B 114 156,-0.2 2,-0.3 159,-0.0 159,-0.1 -0.961 66.8 172.3-119.8 122.0 16.0 31.7 11.2 12 13 A V E -g 169 0B 2 156,-2.9 158,-1.4 -2,-0.5 109,-0.3 -0.964 21.8-154.6-136.5 148.2 16.9 29.3 8.4 13 14 A A > - 0 0 37 -2,-0.3 3,-2.3 156,-0.2 104,-0.3 -0.694 51.6 -72.2-108.8 165.3 17.1 29.1 4.6 14 15 A V T 3 S+ 0 0 86 1,-0.3 104,-0.2 -2,-0.2 -1,-0.1 -0.384 124.3 25.1 -59.7 133.7 16.9 26.0 2.5 15 16 A G T 3 S+ 0 0 39 102,-3.2 -1,-0.3 1,-0.4 103,-0.1 0.159 93.8 124.9 95.4 -15.2 20.0 23.9 3.0 16 17 A D < - 0 0 46 -3,-2.3 101,-2.9 101,-0.1 2,-0.4 -0.380 56.8-131.2 -72.3 159.5 20.7 25.4 6.4 17 18 A K E - C 0 116A 73 99,-0.2 2,-0.4 -3,-0.1 99,-0.2 -0.882 20.5-170.9-109.3 140.9 21.2 23.1 9.5 18 19 A V E - C 0 115A 0 97,-2.6 97,-2.8 -2,-0.4 2,-0.5 -0.999 10.0-148.1-133.1 135.2 19.4 23.8 12.7 19 20 A T E - C 0 114A 21 -2,-0.4 -11,-1.6 95,-0.2 2,-0.7 -0.913 6.7-155.4-112.9 128.9 20.0 21.9 16.0 20 21 A L E -AC 7 113A 1 93,-3.1 93,-2.5 -2,-0.5 2,-0.5 -0.908 14.3-159.7 -92.4 112.4 17.6 21.1 18.8 21 22 A T E -AC 6 112A 32 -15,-2.9 -15,-2.0 -2,-0.7 2,-0.6 -0.839 9.3-150.7 -91.9 129.7 19.7 20.6 22.0 22 23 A I E -AC 5 111A 0 89,-3.2 88,-2.9 -2,-0.5 89,-1.4 -0.924 18.3-178.6-110.7 121.7 17.6 18.6 24.5 23 24 A N E -AC 4 109A 38 -19,-3.6 -19,-2.3 -2,-0.6 2,-0.3 -0.781 20.2-149.5-112.7 156.0 18.2 19.2 28.2 24 25 A V E -AC 3 108A 0 84,-2.2 84,-2.4 -2,-0.3 2,-0.3 -0.916 16.8-166.4-112.3 157.0 17.0 17.8 31.5 25 26 A D E -A 2 0A 48 -23,-2.2 -23,-2.2 -2,-0.3 82,-0.2 -0.990 64.8 -3.1-143.4 134.8 16.8 20.1 34.5 26 27 A K S S+ 0 0 150 -2,-0.3 2,-0.9 -25,-0.2 81,-0.2 0.848 77.7 150.7 57.2 37.8 16.3 19.1 38.2 27 28 A I > - 0 0 4 79,-2.0 3,-1.5 -26,-0.1 -1,-0.2 -0.856 47.8-129.0 -99.7 99.1 15.9 15.4 37.4 28 29 A T T 3 S- 0 0 80 -2,-0.9 3,-0.2 1,-0.3 78,-0.1 -0.230 77.1 -11.4 -57.3 129.9 17.2 13.9 40.6 29 30 A N T 3 S- 0 0 41 1,-0.2 120,-1.3 119,-0.2 -1,-0.3 0.825 88.0-158.8 54.3 36.9 19.9 11.2 40.2 30 31 A F E < +HI 105 148C 0 75,-1.9 75,-0.5 -3,-1.5 118,-0.3 -0.203 26.3 165.6 -52.3 127.8 19.2 11.0 36.4 31 32 A S E - 0 0 5 116,-2.9 61,-2.7 1,-0.4 2,-0.3 0.460 56.0 -24.6-125.4 -6.3 20.3 7.8 34.9 32 33 A G E -JI 91 147C 0 115,-0.9 115,-2.1 59,-0.2 -1,-0.4 -0.910 47.8-150.1 167.8 164.6 18.7 7.6 31.4 33 34 A Y E -JI 90 146C 5 57,-2.4 57,-1.5 -2,-0.3 2,-0.3 -0.958 6.2-155.1-146.4 164.6 15.9 8.6 29.0 34 35 A Q E -JI 89 145C 53 111,-1.9 111,-2.1 -2,-0.3 2,-0.4 -0.962 19.5-167.4-140.7 136.7 13.9 7.6 26.0 35 36 A F E -JI 88 144C 0 53,-3.0 53,-1.9 -2,-0.3 2,-0.5 -0.940 18.2-162.2-123.8 143.9 12.2 10.1 23.7 36 37 A N E -J 87 0C 9 107,-2.5 96,-1.9 -2,-0.4 2,-0.4 -0.996 25.5-178.3-118.9 118.1 9.7 9.8 20.9 37 38 A I E -JK 86 131C 1 49,-2.8 49,-3.0 -2,-0.5 2,-0.4 -0.959 14.2-155.6-125.7 132.0 9.9 13.0 18.8 38 39 A K E +JK 85 130C 68 92,-3.0 92,-2.2 -2,-0.4 2,-0.3 -0.846 15.6 174.4-107.4 142.2 7.8 14.1 15.8 39 40 A Y - 0 0 11 45,-2.2 2,-0.8 -2,-0.4 90,-0.1 -0.933 39.1 -97.2-138.8 166.5 8.9 16.5 13.1 40 41 A N >> - 0 0 65 88,-0.3 4,-1.9 87,-0.3 3,-1.3 -0.764 24.9-162.8 -90.9 108.4 7.5 17.7 9.8 41 42 A T T 34 S+ 0 0 61 -2,-0.8 -1,-0.1 1,-0.3 43,-0.1 0.616 84.8 69.0 -66.9 -13.3 9.0 15.7 6.9 42 43 A T T 34 S+ 0 0 70 1,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.860 117.8 18.2 -68.1 -34.4 7.9 18.4 4.4 43 44 A Y T <4 S+ 0 0 44 -3,-1.3 75,-2.6 1,-0.1 76,-0.9 0.671 119.6 53.1-111.8 -23.8 10.4 20.9 5.8 44 45 A L E < -D 117 0A 3 -4,-1.9 73,-0.2 73,-0.2 -1,-0.1 -0.946 46.0-170.4-131.2 143.7 13.1 19.0 7.8 45 46 A Q E -D 116 0A 71 71,-2.2 71,-3.0 -2,-0.4 -4,-0.0 -0.965 32.9-121.3-130.9 112.6 15.5 16.1 7.3 46 47 A P E -D 115 0A 3 0, 0.0 9,-2.4 0, 0.0 2,-0.4 -0.310 35.8-155.0 -56.0 138.4 17.4 14.8 10.4 47 48 A W E -DE 114 54A 26 67,-3.2 2,-0.8 7,-0.3 67,-0.5 -0.965 18.0-139.7-132.2 125.1 21.1 15.1 9.6 48 49 A D E >> - E 0 53A 37 5,-3.1 5,-1.6 -2,-0.4 4,-1.3 -0.749 17.1-169.9 -83.3 110.4 24.1 13.2 11.0 49 50 A T T 45S+ 0 0 66 -2,-0.8 -1,-0.2 3,-0.2 5,-0.1 0.660 81.7 53.3 -80.7 -17.2 26.7 15.9 11.5 50 51 A I T 45S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.945 122.1 28.9 -80.2 -51.0 29.6 13.5 12.1 51 52 A A T 45S- 0 0 47 2,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.639 102.0-133.8 -73.7 -20.5 29.1 11.5 8.9 52 53 A D T <5 + 0 0 103 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.960 67.9 109.2 58.1 54.2 27.6 14.5 7.1 53 54 A E E - 0 0 80 -3,-0.1 3,-1.5 -2,-0.1 23,-0.1 -0.582 42.7 -86.4-101.3-178.3 18.6 6.5 8.5 57 58 A D T 3 S+ 0 0 76 1,-0.2 22,-2.8 -2,-0.2 -2,-0.1 0.610 129.2 48.0 -64.3 -10.6 16.2 4.7 10.8 58 59 A S T 3 S+ 0 0 84 20,-0.2 -1,-0.2 2,-0.1 2,-0.2 0.468 80.0 125.0-107.5 -0.4 19.1 3.4 13.0 59 60 A T < - 0 0 19 -3,-1.5 19,-0.1 1,-0.1 -4,-0.1 -0.398 53.3-140.1 -70.1 125.3 21.1 6.7 13.4 60 61 A M - 0 0 40 -2,-0.2 3,-0.1 17,-0.1 17,-0.1 -0.659 22.2-120.6 -79.6 132.0 21.8 7.7 17.0 61 62 A P - 0 0 5 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 -0.106 42.5 -77.3 -58.9 167.9 21.5 11.5 17.6 62 63 A D E -F 112 0A 29 50,-1.7 50,-2.0 1,-0.1 2,-0.1 -0.315 51.3-111.9 -66.9 151.4 24.5 13.5 18.9 63 64 A Y E -F 111 0A 102 48,-0.2 48,-0.3 1,-0.1 2,-0.1 -0.385 21.8-152.4 -79.6 159.5 25.4 13.2 22.6 64 65 A G - 0 0 14 46,-0.9 46,-0.2 2,-0.4 -1,-0.1 -0.189 42.3 -85.8-102.8-154.3 25.2 16.0 25.2 65 66 A T S S+ 0 0 106 44,-1.0 3,-0.4 -2,-0.1 45,-0.2 0.697 102.8 77.1 -94.3 -22.5 27.3 16.3 28.3 66 67 A L S S+ 0 0 17 43,-2.6 -2,-0.4 1,-0.2 42,-0.0 -0.426 85.4 35.1 -83.3 165.7 25.3 14.0 30.5 67 68 A L S S+ 0 0 0 -37,-0.2 -1,-0.2 -2,-0.1 24,-0.1 0.808 84.3 114.7 62.9 31.0 25.2 10.1 30.4 68 69 A Q + 0 0 80 -3,-0.4 -2,-0.1 2,-0.1 -1,-0.1 0.424 40.6 113.3-113.6 1.1 29.0 10.2 29.5 69 70 A G S S- 0 0 23 1,-0.1 2,-2.0 2,-0.1 4,-0.4 -0.244 82.9-101.9 -68.5 161.6 30.3 8.6 32.7 70 71 A R S S+ 0 0 229 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.438 83.3 117.5 -86.9 63.4 31.9 5.1 32.6 71 72 A F S S- 0 0 32 -2,-2.0 23,-2.5 -4,-0.1 22,-0.5 -0.190 94.6 -88.6-123.8 38.8 28.9 3.3 33.9 72 73 A N - 0 0 92 21,-0.2 21,-2.1 20,-0.2 22,-0.1 0.956 55.8-162.5 56.6 58.5 28.2 1.0 30.8 73 74 A A E -L 92 0C 32 -4,-0.4 2,-0.4 19,-0.3 19,-0.2 -0.402 2.9-160.5 -67.8 146.1 25.9 3.4 28.9 74 75 A T E -L 91 0C 59 17,-2.5 17,-2.1 -2,-0.1 2,-0.3 -0.997 1.7-150.0-132.7 141.6 23.8 1.9 26.2 75 76 A D E -L 90 0C 53 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.748 7.3-168.6-108.2 153.2 22.1 3.6 23.2 76 77 A M E +L 89 0C 55 13,-2.4 13,-2.5 -2,-0.3 2,-0.3 -0.989 10.6 168.5-138.1 135.5 18.9 2.8 21.3 77 78 A S E +L 88 0C 28 -2,-0.3 11,-0.2 11,-0.2 2,-0.2 -0.863 11.0 149.5-151.8 115.6 17.8 4.4 18.0 78 79 A K + 0 0 167 9,-2.7 -20,-0.2 -2,-0.3 -21,-0.1 -0.732 23.3 174.9-154.0 88.1 15.0 3.0 16.0 79 80 A H - 0 0 13 -22,-2.8 7,-0.2 -2,-0.2 2,-0.2 -0.237 35.6-142.8 -91.7 173.6 13.1 5.7 14.0 80 81 A N B > > +M 85 0C 49 5,-2.8 5,-2.3 1,-0.1 3,-1.4 -0.683 27.2 170.4-132.1 79.8 10.4 5.8 11.5 81 82 A L G > 5S+ 0 0 33 1,-0.3 3,-1.3 3,-0.2 -1,-0.1 0.804 72.7 65.8 -64.4 -25.9 11.6 8.7 9.3 82 83 A S G 3 5S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.1 -41,-0.1 0.817 110.7 37.5 -64.1 -27.4 9.0 8.0 6.7 83 84 A Q G < 5S- 0 0 124 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.237 119.9-109.6-105.5 9.0 6.4 9.1 9.3 84 85 A G T < 5S+ 0 0 0 -3,-1.3 -45,-2.2 1,-0.2 2,-0.5 0.879 71.4 142.0 63.1 42.9 8.6 11.8 10.7 85 86 A V E < -JM 38 80C 27 -5,-2.3 -5,-2.8 -47,-0.2 2,-0.4 -0.967 32.9-170.4-120.2 125.0 9.2 9.9 14.0 86 87 A L E +J 37 0C 0 -49,-3.0 -49,-2.8 -2,-0.5 2,-0.4 -0.940 8.6 177.9-102.9 137.3 12.5 9.8 15.9 87 88 A N E +J 36 0C 21 -2,-0.4 -9,-2.7 -51,-0.2 2,-0.3 -0.965 20.2 132.9-141.0 118.2 12.7 7.3 18.8 88 89 A F E +JL 35 77C 0 -53,-1.9 -53,-3.0 -2,-0.4 2,-0.3 -0.979 21.2 177.5-157.9 167.9 15.9 6.9 20.7 89 90 A G E -JL 34 76C 3 -13,-2.5 -13,-2.4 -2,-0.3 2,-0.3 -0.988 13.8-151.7-166.7 168.9 17.4 6.8 24.2 90 91 A R E +JL 33 75C 23 -57,-1.5 -57,-2.4 -2,-0.3 2,-0.3 -0.982 19.4 169.9-152.5 138.8 20.5 6.3 26.3 91 92 A L E -JL 32 74C 69 -17,-2.1 -17,-2.5 -2,-0.3 2,-0.6 -0.996 37.0-112.0-149.6 153.7 20.9 4.9 29.8 92 93 A Y E - 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