==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELLULOSOME SUBUNIT 03-JUL-97 1AOH . COMPND 2 MOLECULE: CELLULOSOME-INTEGRATING PROTEIN CIPA; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR P.M.ALZARI,G.TAVARES . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 40.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 34 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 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 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 0 2 2 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 A 0 0 82 0, 0.0 2,-0.4 0, 0.0 132,-0.3 0.000 360.0 360.0 360.0 144.1 13.4 25.4 45.7 2 6 A V E -a 133 0A 1 130,-2.8 132,-1.8 21,-0.0 2,-0.5 -0.706 360.0-145.3 -84.0 134.8 16.6 25.8 43.9 3 7 A R E -aB 134 24A 105 21,-3.3 21,-1.8 -2,-0.4 2,-0.5 -0.899 11.9-166.6-106.7 129.2 19.5 26.6 46.3 4 8 A I E +aB 135 23A 0 130,-2.7 132,-2.9 -2,-0.5 2,-0.4 -0.973 11.3 177.3-114.3 126.3 22.3 28.9 45.1 5 9 A K E -aB 136 22A 33 17,-2.7 17,-3.0 -2,-0.5 2,-0.5 -0.992 23.4-150.4-137.1 130.4 25.5 29.0 47.1 6 10 A V E - B 0 21A 5 130,-1.1 15,-0.2 -2,-0.4 109,-0.1 -0.850 34.8-120.4 -91.6 131.2 28.7 30.9 46.6 7 11 A D - 0 0 40 13,-2.8 132,-2.6 -2,-0.5 2,-0.5 -0.279 11.0-132.7 -67.0 162.9 31.6 28.9 48.2 8 12 A T E -e 139 0B 83 130,-0.3 2,-0.3 129,-0.1 132,-0.2 -0.989 33.3-176.3-114.3 122.8 33.7 30.3 50.9 9 13 A V E -e 140 0B 24 130,-2.4 132,-3.1 -2,-0.5 2,-0.4 -0.892 22.7-121.7-122.9 153.1 37.4 29.6 50.0 10 14 A N E +e 141 0B 125 -2,-0.3 2,-0.3 130,-0.2 132,-0.2 -0.765 39.4 155.3 -95.4 142.7 40.6 30.2 51.9 11 15 A A E -e 142 0B 8 130,-1.8 132,-3.2 -2,-0.4 3,-0.0 -0.964 34.5-127.4-156.9 167.4 43.4 32.3 50.4 12 16 A K > - 0 0 34 -2,-0.3 3,-2.5 130,-0.2 92,-0.3 -0.836 49.6 -81.2-117.7 152.3 46.3 34.5 51.2 13 17 A P T 3 S+ 0 0 44 0, 0.0 93,-0.2 0, 0.0 92,-0.2 -0.267 121.2 30.3 -53.7 137.5 46.8 38.1 50.1 14 18 A G T 3 S+ 0 0 33 90,-2.9 92,-0.1 1,-0.3 2,-0.1 0.080 92.0 124.8 98.8 -24.0 48.2 37.9 46.5 15 19 A D < - 0 0 73 -3,-2.5 89,-3.1 90,-0.1 2,-0.7 -0.408 58.0-138.4 -71.3 149.1 46.5 34.6 45.6 16 20 A T E - C 0 103A 89 87,-0.2 2,-0.3 -3,-0.1 87,-0.3 -0.933 34.2-166.3-105.4 113.7 44.3 34.3 42.6 17 21 A V E - C 0 102A 15 85,-3.3 85,-2.7 -2,-0.7 2,-0.5 -0.775 20.6-139.1-110.1 153.6 41.3 32.3 43.9 18 22 A R E - C 0 101A 123 -2,-0.3 83,-0.2 83,-0.2 81,-0.0 -0.932 16.0-169.3-111.0 125.3 38.5 30.4 42.3 19 23 A I E - C 0 100A 0 81,-3.2 81,-2.6 -2,-0.5 121,-0.0 -0.894 13.1-145.8-121.4 100.0 35.1 30.6 43.9 20 24 A P E - C 0 99A 22 0, 0.0 -13,-2.8 0, 0.0 2,-0.5 -0.311 1.7-153.0 -62.5 146.6 32.4 28.3 42.7 21 25 A V E -BC 6 98A 0 77,-2.4 76,-2.8 -15,-0.2 77,-1.4 -0.995 25.4-163.2-119.7 114.8 28.8 29.4 42.5 22 26 A R E -BC 5 96A 104 -17,-3.0 -17,-2.7 -2,-0.5 2,-0.4 -0.839 16.7-156.3-112.0 146.6 26.7 26.2 42.9 23 27 A F E +BC 4 95A 3 72,-2.6 72,-2.1 -2,-0.4 2,-0.3 -0.917 15.4 175.5-114.7 141.5 23.1 25.3 42.2 24 28 A S E +B 3 0A 36 -21,-1.8 -21,-3.3 -2,-0.4 69,-0.0 -0.965 61.0 40.0-144.1 151.6 21.3 22.4 43.8 25 29 A G S S+ 0 0 28 -2,-0.3 -1,-0.1 -23,-0.2 -21,-0.0 0.753 70.4 177.0 80.0 26.2 17.7 21.3 43.6 26 30 A I - 0 0 20 -3,-0.1 -1,-0.2 1,-0.1 68,-0.2 -0.472 30.0-118.8 -65.5 127.1 17.5 22.0 39.9 27 31 A P > - 0 0 30 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.114 15.3-110.0 -67.4 163.0 14.0 20.9 38.7 28 32 A S T 3 S+ 0 0 138 1,-0.3 3,-0.1 2,-0.1 -2,-0.1 0.846 121.4 55.0 -57.3 -36.7 13.2 18.2 36.1 29 33 A K T 3 S- 0 0 85 1,-0.2 97,-2.3 98,-0.0 -1,-0.3 0.252 108.3-140.7 -80.4 6.7 12.0 20.9 33.7 30 34 A G < - 0 0 0 -3,-1.9 2,-0.4 95,-0.2 -1,-0.2 0.047 21.3 -72.5 64.2-170.7 15.4 22.6 34.1 31 35 A I B -G 91 0C 0 60,-1.8 60,-2.5 94,-0.2 94,-0.3 -0.970 39.4-179.7-128.1 109.4 16.3 26.3 34.4 32 36 A A S S- 0 0 6 92,-2.0 50,-2.9 -2,-0.4 2,-0.3 0.779 70.8 -1.1 -80.0 -30.1 15.9 28.2 31.1 33 37 A N E +HI 81 124D 47 91,-1.4 91,-2.0 48,-0.2 2,-0.3 -0.993 60.3 166.3-160.4 152.0 17.0 31.6 32.5 34 38 A C E -HI 80 123D 1 46,-2.3 46,-2.8 -2,-0.3 2,-0.3 -0.919 5.7-177.0-164.7 145.4 18.1 33.3 35.7 35 39 A D E +H 79 0D 29 87,-2.3 86,-2.8 -2,-0.3 2,-0.3 -0.993 15.1 152.9-147.8 143.8 19.7 36.5 36.7 36 40 A F E -HI 78 120D 0 42,-1.7 42,-3.6 -2,-0.3 2,-0.4 -0.981 29.4-126.6-163.7 166.3 20.8 37.7 40.1 37 41 A V E -HI 77 119D 1 82,-2.9 81,-2.9 -2,-0.3 82,-1.4 -0.940 14.4-174.0-127.3 143.2 23.3 40.0 41.9 38 42 A Y E -HI 76 117D 0 38,-2.2 38,-2.9 -2,-0.4 2,-0.3 -0.933 19.5-135.4-128.2 153.6 25.8 39.5 44.7 39 43 A S E +HI 75 116D 34 77,-3.4 77,-1.5 -2,-0.3 2,-0.3 -0.721 25.4 174.6-106.3 160.3 27.8 42.2 46.4 40 44 A Y - 0 0 12 34,-1.6 75,-0.1 -2,-0.3 3,-0.1 -0.917 37.7 -99.5-152.2 175.4 31.6 42.0 47.2 41 45 A D >> - 0 0 59 -2,-0.3 4,-2.8 73,-0.2 3,-1.9 -0.853 26.4-172.6-109.9 100.9 34.4 44.1 48.6 42 46 A P T 34 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 0.637 83.4 66.4 -66.2 -13.7 36.5 45.5 45.7 43 47 A N T 34 S+ 0 0 70 1,-0.1 3,-0.1 28,-0.1 -2,-0.0 0.657 117.1 26.1 -80.3 -14.1 39.0 46.9 48.1 44 48 A V T <4 S+ 0 0 11 -3,-1.9 61,-3.0 1,-0.3 2,-0.5 0.727 126.1 40.2-114.1 -40.7 39.9 43.3 49.1 45 49 A L E < -D 104 0A 0 -4,-2.8 2,-0.7 59,-0.2 -1,-0.3 -0.953 61.3-158.4-118.2 127.5 39.0 41.2 46.0 46 50 A E E -D 103 0A 37 57,-2.7 57,-2.5 -2,-0.5 2,-0.6 -0.907 23.7-133.9-102.4 113.8 39.6 42.2 42.3 47 51 A I E +D 102 0A 32 -2,-0.7 55,-0.3 55,-0.2 3,-0.1 -0.622 28.5 176.5 -72.7 116.8 37.3 40.2 40.1 48 52 A I E - 0 0 101 53,-2.9 2,-0.3 -2,-0.6 54,-0.2 0.852 60.8 -27.6 -86.5 -45.4 39.4 38.9 37.2 49 53 A E E -D 101 0A 45 52,-1.6 52,-3.1 2,-0.0 2,-0.5 -0.967 46.4-137.6-166.3 157.4 36.9 36.8 35.4 50 54 A I E -D 100 0A 20 -2,-0.3 50,-0.2 50,-0.2 17,-0.1 -0.975 28.2-151.9-128.9 112.1 33.7 34.9 35.9 51 55 A E E -D 99 0A 72 48,-2.8 48,-2.1 -2,-0.5 2,-0.1 -0.695 20.7-109.6 -88.6 142.8 33.7 31.6 34.1 52 56 A P E -D 98 0A 44 0, 0.0 46,-0.3 0, 0.0 45,-0.1 -0.444 44.1-130.8 -63.2 138.4 30.7 29.7 32.8 53 57 A G > - 0 0 9 44,-3.0 3,-2.1 -2,-0.1 44,-0.2 -0.305 26.6 -90.0 -87.2 178.4 30.4 26.6 35.0 54 58 A E T 3 S+ 0 0 134 1,-0.3 43,-0.2 -2,-0.1 -1,-0.1 0.672 121.4 69.1 -57.7 -24.7 29.9 22.9 34.0 55 59 A L T 3 S+ 0 0 5 41,-2.2 2,-1.1 1,-0.1 -1,-0.3 0.616 75.2 92.3 -71.0 -17.0 26.1 23.5 34.1 56 60 A I < + 0 0 14 -3,-2.1 34,-0.1 40,-0.3 35,-0.1 -0.744 53.4 177.5 -82.4 101.5 26.2 25.7 31.0 57 61 A V + 0 0 70 -2,-1.1 -1,-0.2 32,-0.4 33,-0.1 0.591 36.0 119.8 -85.2 -11.5 25.6 23.2 28.3 58 62 A D - 0 0 4 31,-0.3 6,-0.1 1,-0.2 4,-0.1 -0.286 68.5-132.7 -56.1 128.6 25.6 25.6 25.3 59 63 A P S S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.739 110.6 42.6 -53.8 -27.4 28.4 24.6 22.8 60 64 A N S >> S- 0 0 87 1,-0.1 3,-2.7 0, 0.0 4,-0.5 -0.819 82.7-169.7-119.1 82.4 29.3 28.4 22.9 61 65 A P H >> S+ 0 0 49 0, 0.0 4,-2.1 0, 0.0 3,-1.7 0.824 79.9 61.7 -45.1 -41.7 28.9 29.1 26.7 62 66 A T H 34 S+ 0 0 112 1,-0.3 0, 0.0 2,-0.2 0, 0.0 0.644 93.9 64.4 -66.5 -12.4 29.2 32.8 26.3 63 67 A K H <4 S+ 0 0 77 -3,-2.7 -1,-0.3 1,-0.1 3,-0.1 0.724 115.7 28.2 -80.2 -22.9 26.0 32.8 24.2 64 68 A S H << S+ 0 0 5 -3,-1.7 17,-2.7 -4,-0.5 2,-0.4 0.657 122.4 52.1-107.7 -20.4 24.0 31.6 27.2 65 69 A F E < +J 80 0D 7 -4,-2.1 2,-0.3 15,-0.2 15,-0.2 -0.959 54.8 152.3-128.2 136.4 26.0 33.0 30.0 66 70 A D E -J 79 0D 78 13,-2.7 13,-2.9 -2,-0.4 2,-0.3 -0.975 17.4-162.4-153.1 160.7 27.3 36.4 30.9 67 71 A T E -J 78 0D 28 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.965 5.8-155.7-143.5 155.0 28.3 38.5 34.0 68 72 A A E -J 77 0D 6 9,-2.0 9,-3.0 -2,-0.3 2,-0.5 -0.994 9.3-158.7-134.4 125.7 28.8 42.2 34.6 69 73 A V E -J 76 0D 36 -2,-0.4 7,-0.2 7,-0.2 -2,-0.0 -0.914 6.1-171.8-109.5 129.3 31.0 43.5 37.5 70 74 A Y E >> -J 75 0D 0 5,-3.0 5,-2.1 -2,-0.5 4,-0.8 -0.830 3.2-177.7-120.8 90.7 30.5 47.0 38.8 71 75 A P T 45S+ 0 0 66 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.822 81.2 56.6 -56.7 -37.7 33.3 47.8 41.3 72 76 A D T 45S+ 0 0 128 1,-0.2 195,-0.0 2,-0.1 -2,-0.0 0.946 117.5 33.8 -63.6 -44.9 32.0 51.3 42.1 73 77 A R T 45S- 0 0 41 -3,-0.1 -1,-0.2 2,-0.1 194,-0.0 0.426 110.5-127.9 -87.5 -2.3 28.6 49.9 43.2 74 78 A K T <5 + 0 0 107 -4,-0.8 -34,-1.6 1,-0.2 2,-0.3 0.858 60.8 133.2 59.8 44.6 30.4 46.7 44.5 75 79 A M E < -HJ 39 70D 15 -5,-2.1 -5,-3.0 -36,-0.2 2,-0.5 -0.907 47.7-155.8-133.9 154.0 28.2 44.3 42.6 76 80 A I E -HJ 38 69D 0 -38,-2.9 -38,-2.2 -2,-0.3 2,-0.5 -0.996 15.9-158.1-122.0 122.4 28.4 41.3 40.4 77 81 A V E -HJ 37 68D 0 -9,-3.0 -9,-2.0 -2,-0.5 2,-0.5 -0.908 3.5-157.8-106.5 125.3 25.5 40.6 38.1 78 82 A F E -HJ 36 67D 0 -42,-3.6 -42,-1.7 -2,-0.5 2,-0.5 -0.908 10.8-174.7-104.5 128.6 24.9 37.0 36.8 79 83 A L E +HJ 35 66D 8 -13,-2.9 -13,-2.7 -2,-0.5 2,-0.4 -0.956 9.1 168.6-129.3 117.0 22.9 36.6 33.6 80 84 A F E +HJ 34 65D 5 -46,-2.8 -46,-2.3 -2,-0.5 2,-0.3 -0.989 6.6 157.7-126.1 132.4 21.9 33.3 32.1 81 85 A A E -H 33 0D 48 -17,-2.7 -48,-0.2 -2,-0.4 -49,-0.1 -0.830 46.3-117.5-153.4 104.1 19.4 32.9 29.3 82 86 A E > - 0 0 24 -50,-2.9 3,-0.7 -2,-0.3 5,-0.1 -0.250 22.7-143.7 -51.3 124.2 19.7 29.6 27.3 83 87 A D T 3 S+ 0 0 28 1,-0.2 -1,-0.1 6,-0.1 -19,-0.1 0.636 84.0 74.2 -67.8 -20.1 20.6 30.6 23.7 84 88 A S T 3 S- 0 0 40 1,-0.1 -1,-0.2 -20,-0.0 -2,-0.1 0.777 83.4-143.8 -68.1 -32.2 18.6 28.1 21.7 85 89 A G S < S+ 0 0 69 -3,-0.7 -1,-0.1 -53,-0.1 -2,-0.1 0.466 87.5 76.0 81.2 1.8 15.3 29.7 22.3 86 90 A T S S- 0 0 121 4,-0.0 -1,-0.1 0, 0.0 -3,-0.1 0.448 115.4-100.4-117.8 -8.3 13.6 26.3 22.5 87 91 A G S > S+ 0 0 9 -5,-0.1 3,-1.9 -55,-0.1 -56,-0.1 0.248 86.4 127.2 103.1 -4.7 14.8 25.3 26.0 88 92 A A T 3 S+ 0 0 60 1,-0.3 -5,-0.0 -6,-0.1 38,-0.0 0.789 72.9 43.2 -55.0 -36.5 17.6 23.1 24.6 89 93 A Y T 3 S+ 0 0 68 -57,-0.1 -32,-0.4 2,-0.0 -31,-0.3 0.055 83.2 136.8 -99.7 22.0 20.5 24.7 26.6 90 94 A A < - 0 0 1 -3,-1.9 2,-0.4 -8,-0.1 -58,-0.2 -0.323 67.0-102.0 -65.1 149.6 18.6 24.9 29.9 91 95 A I B -G 31 0C 0 -60,-2.5 -60,-1.8 1,-0.1 -1,-0.1 -0.662 42.1-179.5 -71.8 133.9 20.5 23.9 33.0 92 96 A T + 0 0 92 -2,-0.4 2,-0.3 -37,-0.3 -62,-0.1 0.336 51.7 30.0-122.8 5.5 19.4 20.3 33.8 93 97 A E S S- 0 0 120 -38,-0.1 2,-0.2 -62,-0.1 -70,-0.1 -0.972 80.9 -86.1-158.5 169.7 21.3 19.3 36.9 94 98 A D S S+ 0 0 76 -2,-0.3 2,-0.3 -68,-0.2 -70,-0.2 -0.517 71.9 83.8 -79.9 148.2 23.0 20.4 40.1 95 99 A G E S-C 23 0A 14 -72,-2.1 -72,-2.6 -2,-0.2 2,-0.6 -0.991 80.0 -14.4 158.0-157.6 26.6 21.5 40.0 96 100 A V E -C 22 0A 19 -2,-0.3 -41,-2.2 -74,-0.2 -40,-0.3 -0.669 42.4-179.7 -86.3 114.7 28.8 24.6 39.3 97 101 A F E - 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