==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELLULOSE DEGRADATION 10-SEP-96 1NBC . COMPND 2 MOLECULE: CELLULOSOMAL SCAFFOLDING PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR J.TORMO,R.LAMED,T.A.STEITZ . 310 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 43.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 36 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.1 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+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 . 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 0 PARALLEL BRIDGES PER LADDER . 2 6 4 2 4 0 2 2 0 2 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 2 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 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 1 A N 0 0 135 0, 0.0 27,-0.9 0, 0.0 26,-0.7 0.000 360.0 360.0 360.0 130.7 33.8 31.7 20.9 2 2 A L E -A 26 0A 9 148,-0.3 2,-0.4 24,-0.2 24,-0.2 -0.914 360.0-154.7-134.4 160.6 32.1 31.2 17.4 3 3 A K E -A 25 0A 76 22,-1.8 22,-2.7 -2,-0.3 2,-0.4 -0.994 17.1-161.4-132.9 128.5 31.4 32.9 14.2 4 4 A V E -A 24 0A 0 -2,-0.4 134,-0.7 20,-0.2 2,-0.4 -0.981 8.9-179.0-118.1 126.9 28.4 31.6 12.1 5 5 A E E +AB 23 137A 34 18,-2.5 18,-2.3 -2,-0.4 2,-0.3 -0.958 15.3 172.5-120.8 149.0 28.0 32.4 8.4 6 6 A F E +AB 22 136A 0 130,-3.2 130,-2.3 -2,-0.4 2,-0.3 -0.955 19.3 166.4-157.2 162.7 25.0 31.2 6.4 7 7 A Y E -A 21 0A 40 14,-1.5 14,-2.4 -2,-0.3 2,-0.5 -0.934 33.0-118.1-172.7 156.3 22.9 31.1 3.2 8 8 A N E -Ac 20 131A 1 122,-2.3 124,-1.0 -2,-0.3 126,-0.0 -0.915 15.6-161.8 -99.1 128.0 20.1 29.2 1.5 9 9 A S S S+ 0 0 55 10,-2.0 -1,-0.1 -2,-0.5 122,-0.1 0.526 80.8 64.3 -87.5 -10.5 21.2 27.6 -1.8 10 10 A N + 0 0 26 9,-0.3 9,-0.3 1,-0.1 -1,-0.2 -0.944 60.0 175.8-113.4 106.9 17.6 27.2 -2.9 11 11 A P + 0 0 76 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.485 32.3 128.5 -90.6 -1.8 16.0 30.7 -3.4 12 12 A S - 0 0 61 1,-0.1 111,-0.2 110,-0.0 3,-0.1 -0.336 53.4-146.6 -60.0 125.9 12.6 29.6 -4.8 13 13 A D S S+ 0 0 81 1,-0.2 110,-2.6 -2,-0.1 2,-0.6 0.952 93.6 37.3 -56.8 -50.6 9.7 31.2 -2.8 14 14 A T E S+H 122 0B 84 108,-0.2 2,-0.3 109,-0.1 -1,-0.2 -0.917 86.2 135.7-105.7 120.6 7.6 28.1 -3.4 15 15 A T E -H 121 0B 14 106,-1.5 106,-2.9 -2,-0.6 3,-0.1 -0.978 56.4-129.4-156.9 164.4 9.6 24.8 -3.2 16 16 A N S S+ 0 0 60 -2,-0.3 99,-0.4 104,-0.2 2,-0.3 0.255 92.3 46.3-106.3 13.3 9.6 21.3 -1.8 17 17 A S - 0 0 18 97,-0.1 2,-0.5 104,-0.1 97,-0.2 -0.971 64.4-152.5-153.3 133.8 13.0 21.4 -0.3 18 18 A I B -D 113 0A 0 95,-1.9 95,-2.0 -2,-0.3 -10,-0.0 -0.941 12.2-158.0-106.3 131.9 14.8 24.0 1.9 19 19 A N - 0 0 23 -2,-0.5 -10,-2.0 -9,-0.3 -9,-0.3 -0.705 8.6-173.0-116.4 81.0 18.6 24.0 1.6 20 20 A P E -A 8 0A 1 0, 0.0 91,-2.7 0, 0.0 2,-0.5 -0.532 5.0-163.0 -75.4 135.3 20.4 25.6 4.6 21 21 A Q E -AE 7 110A 7 -14,-2.4 -14,-1.5 -2,-0.2 2,-0.4 -0.985 9.2-170.6-119.6 119.4 24.2 26.1 4.3 22 22 A F E -AE 6 109A 1 87,-2.3 87,-2.5 -2,-0.5 2,-0.4 -0.889 15.3-175.3-114.3 142.5 26.2 26.7 7.5 23 23 A K E -AE 5 108A 53 -18,-2.3 -18,-2.5 -2,-0.4 2,-0.5 -0.952 11.6-174.3-134.3 109.3 29.8 27.7 8.1 24 24 A V E -AE 4 107A 0 83,-2.4 83,-2.2 -2,-0.4 2,-0.4 -0.943 4.0-164.9-112.5 121.9 30.9 27.8 11.7 25 25 A T E -AE 3 106A 25 -22,-2.7 -22,-1.8 -2,-0.5 2,-1.3 -0.878 20.8-134.2-109.8 132.6 34.3 29.1 12.6 26 26 A N E +A 2 0A 0 79,-2.6 78,-3.0 -2,-0.4 -24,-0.2 -0.729 30.0 171.9 -84.8 95.0 36.0 28.5 16.0 27 27 A T + 0 0 65 -2,-1.3 -25,-0.2 -26,-0.7 -1,-0.2 0.313 48.8 91.2 -86.0 5.0 37.3 32.1 16.6 28 28 A G S S- 0 0 25 -27,-0.9 76,-0.3 2,-0.2 4,-0.1 -0.087 84.1-115.0 -89.0-168.6 38.4 31.3 20.1 29 29 A S S S+ 0 0 118 74,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.473 93.0 64.1-107.5 -7.3 41.8 30.0 21.5 30 30 A S S S- 0 0 81 72,-0.1 -2,-0.2 -29,-0.1 71,-0.0 -0.907 89.6-100.3-120.9 147.8 40.5 26.7 22.7 31 31 A A - 0 0 54 -2,-0.3 2,-0.4 72,-0.1 71,-0.3 -0.150 32.6-134.3 -59.2 154.9 39.1 23.7 20.8 32 32 A I E -I 101 0C 15 69,-2.8 69,-3.3 -4,-0.1 2,-0.8 -0.944 7.4-133.2-119.8 133.3 35.3 23.1 20.6 33 33 A D E > -I 100 0C 73 -2,-0.4 3,-2.3 67,-0.2 4,-0.3 -0.805 13.5-154.0 -83.6 111.1 33.6 19.7 21.1 34 34 A L G > S+ 0 0 0 65,-2.3 3,-1.6 -2,-0.8 62,-0.4 0.772 90.3 69.8 -60.5 -25.1 31.1 19.4 18.3 35 35 A S G 3 S+ 0 0 48 64,-0.5 -1,-0.3 1,-0.3 65,-0.1 0.612 101.2 48.8 -68.8 -8.0 28.9 17.1 20.3 36 36 A K G < S+ 0 0 84 -3,-2.3 110,-2.8 110,-0.1 2,-0.4 0.412 95.3 92.0-107.3 -1.3 28.2 20.2 22.4 37 37 A L E < +J 145 0D 1 -3,-1.6 59,-0.5 -4,-0.3 2,-0.3 -0.811 48.7 173.6-101.5 129.3 27.4 22.4 19.4 38 38 A T E -J 144 0D 27 106,-2.0 106,-2.6 -2,-0.4 2,-0.3 -0.967 11.4-160.5-132.5 148.5 23.9 22.8 18.0 39 39 A L E -JK 143 94D 0 55,-1.8 55,-2.7 -2,-0.3 2,-0.4 -0.941 6.4-152.4-127.5 149.7 22.5 25.1 15.3 40 40 A R E -JK 142 93D 38 102,-2.6 102,-1.5 -2,-0.3 2,-0.5 -0.981 11.4-168.9-132.1 140.8 18.9 26.3 14.5 41 41 A Y E - K 0 92D 1 51,-1.9 51,-2.1 -2,-0.4 2,-0.4 -0.982 20.9-152.2-123.9 112.2 17.1 27.4 11.4 42 42 A Y E + K 0 91D 5 98,-0.5 86,-2.9 -2,-0.5 87,-0.3 -0.718 30.3 134.0 -93.2 136.9 13.6 28.9 12.2 43 43 A Y E - K 0 90D 0 47,-2.5 46,-3.0 -2,-0.4 47,-2.3 -0.896 53.9 -94.3-159.7-177.7 10.7 28.8 9.8 44 44 A T - 0 0 7 78,-0.3 78,-0.4 44,-0.3 81,-0.1 -0.983 25.0-147.0-114.1 122.6 7.0 28.2 9.3 45 45 A V - 0 0 6 -2,-0.5 -1,-0.1 76,-0.1 70,-0.0 0.725 21.0-146.7 -62.8 -22.4 6.2 24.6 8.2 46 46 A D S S+ 0 0 52 75,-0.1 -1,-0.1 -3,-0.0 -2,-0.0 0.945 81.8 11.9 52.8 58.3 3.1 25.8 6.1 47 47 A G S S- 0 0 44 2,-0.0 2,-0.3 72,-0.0 72,-0.1 0.454 97.7-108.5 106.6 100.4 1.1 22.6 6.8 48 48 A Q + 0 0 98 67,-0.0 2,-0.3 3,-0.0 -2,-0.0 -0.469 53.8 149.2 -64.6 121.6 2.4 20.3 9.5 49 49 A K - 0 0 99 -2,-0.3 2,-0.2 70,-0.0 -2,-0.0 -0.925 54.9 -89.1-143.7 160.0 3.9 17.1 8.0 50 50 A D - 0 0 125 -2,-0.3 66,-2.9 65,-0.0 2,-0.3 -0.521 51.6-154.7 -70.8 147.3 6.6 14.8 9.2 51 51 A Q E -F 115 0A 22 64,-0.3 2,-0.4 -2,-0.2 64,-0.2 -0.874 12.4-149.5-127.8 160.8 10.0 16.0 7.8 52 52 A T E -F 114 0A 46 62,-2.6 62,-1.9 -2,-0.3 2,-0.4 -0.980 7.3-153.6-132.3 140.0 13.4 14.6 7.0 53 53 A F E -F 113 0A 25 -2,-0.4 2,-0.4 23,-0.3 60,-0.2 -0.905 10.3-173.3-114.2 142.3 16.8 16.2 7.0 54 54 A W E -F 112 0A 88 58,-2.9 58,-1.6 -2,-0.4 2,-0.7 -0.989 19.2-143.3-134.4 141.1 19.8 15.1 4.9 55 55 A C E -F 111 0A 22 -2,-0.4 56,-0.2 56,-0.2 3,-0.2 -0.947 11.4-171.7-104.7 110.6 23.4 16.3 5.0 56 56 A D E S- 0 0 81 54,-2.2 2,-0.3 -2,-0.7 -1,-0.2 0.862 73.5 -17.3 -68.0 -36.5 24.7 16.4 1.4 57 57 A H E +F 110 0A 48 53,-1.2 53,-3.1 -3,-0.1 -1,-0.3 -0.930 61.1 177.4-170.6 139.3 28.1 17.1 2.6 58 58 A A E +F 109 0A 0 -2,-0.3 12,-2.2 51,-0.2 13,-0.8 -0.983 11.5 168.9-145.8 144.7 29.9 18.3 5.8 59 59 A A E -FG 108 69A 1 49,-1.9 49,-2.4 -2,-0.3 2,-0.5 -0.989 33.3-125.3-158.0 153.1 33.5 18.8 6.6 60 60 A I E -FG 107 68A 16 8,-2.6 8,-1.9 -2,-0.3 2,-0.5 -0.906 26.7-162.9-100.5 119.8 36.0 20.2 9.1 61 61 A I E -FG 106 67A 32 45,-3.6 45,-2.8 -2,-0.5 6,-0.2 -0.959 10.6-143.5-108.0 120.9 38.5 22.6 7.4 62 62 A G > - 0 0 13 4,-2.1 3,-1.9 -2,-0.5 42,-0.1 -0.250 28.6-103.6 -75.3 170.8 41.6 23.4 9.4 63 63 A S T 3 S+ 0 0 100 40,-0.3 -1,-0.1 1,-0.3 41,-0.1 0.738 125.8 50.9 -65.7 -24.3 43.4 26.8 9.5 64 64 A N T 3 S- 0 0 132 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.132 129.0 -99.2 -96.5 11.5 46.0 25.2 7.2 65 65 A G < + 0 0 53 -3,-1.9 -2,-0.1 1,-0.2 40,-0.0 0.563 65.2 163.8 83.9 9.7 43.4 24.0 4.8 66 66 A S - 0 0 61 1,-0.1 -4,-2.1 -5,-0.1 2,-0.5 -0.336 27.8-140.4 -62.4 144.8 43.3 20.4 6.1 67 67 A Y E +G 61 0A 142 -6,-0.2 2,-0.4 -8,-0.0 -6,-0.2 -0.926 24.6 172.1-118.1 124.4 40.2 18.5 5.1 68 68 A N E -G 60 0A 94 -8,-1.9 -8,-2.6 -2,-0.5 2,-0.3 -0.952 25.2-141.1-131.0 106.1 38.2 16.0 7.2 69 69 A G E +G 59 0A 44 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.551 30.6 161.9 -69.8 125.4 34.9 14.6 5.8 70 70 A I > + 0 0 6 -12,-2.2 3,-2.5 -2,-0.3 4,-0.4 0.068 23.1 133.6-131.8 26.4 32.2 14.3 8.5 71 71 A T G > S+ 0 0 49 -13,-0.8 3,-1.2 1,-0.3 -14,-0.1 0.851 74.7 49.3 -45.8 -46.4 29.0 14.1 6.4 72 72 A S G 3 S+ 0 0 94 1,-0.2 -1,-0.3 -14,-0.1 -2,-0.0 0.465 99.5 67.3 -78.2 0.7 27.6 11.2 8.4 73 73 A N G < S+ 0 0 49 -3,-2.5 24,-2.0 -15,-0.1 2,-0.6 0.518 80.0 93.6 -95.3 -7.0 28.2 12.8 11.7 74 74 A V E < -L 96 0D 7 -3,-1.2 2,-0.3 -4,-0.4 22,-0.2 -0.797 55.0-175.4 -93.7 123.3 25.6 15.6 11.1 75 75 A K E -L 95 0D 98 20,-2.8 20,-2.7 -2,-0.6 2,-0.4 -0.816 8.3-156.7-115.3 152.3 22.1 14.9 12.5 76 76 A G E -L 94 0D 23 -2,-0.3 2,-0.3 18,-0.2 -23,-0.3 -0.996 9.3-179.0-134.5 131.8 18.9 17.0 12.1 77 77 A T E -L 93 0D 73 16,-2.3 16,-3.0 -2,-0.4 2,-0.5 -0.946 21.3-132.5-127.0 149.5 15.8 17.1 14.2 78 78 A F E -L 92 0D 54 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.898 19.9-168.2-107.9 124.3 12.5 19.1 13.8 79 79 A V E -L 91 0D 42 12,-3.0 12,-2.3 -2,-0.5 2,-0.5 -0.936 15.9-142.7-117.1 122.6 11.1 20.9 16.8 80 80 A K E -L 90 0D 138 -2,-0.5 10,-0.3 10,-0.2 2,-0.1 -0.711 34.6-115.6 -80.8 125.5 7.7 22.5 16.9 81 81 A M E - 0 0 21 8,-2.5 3,-0.2 -2,-0.5 -1,-0.1 -0.433 10.3-147.9 -67.6 135.6 7.9 25.7 18.9 82 82 A S E S+ 0 0 56 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.611 97.2 26.3 -75.6 -14.4 6.0 25.9 22.2 83 83 A S E S- 0 0 29 221,-0.1 -1,-0.3 217,-0.0 221,-0.2 -0.885 88.3-170.1-149.3 107.4 5.6 29.7 21.5 84 84 A S E - 0 0 43 219,-2.0 221,-0.3 -2,-0.3 2,-0.2 -0.592 14.2-148.5-106.4 168.4 5.6 30.7 17.9 85 85 A T E > -L 88 0D 57 3,-2.7 3,-1.3 -2,-0.2 -2,-0.0 -0.712 42.0 -91.7-120.7 174.3 5.7 33.9 15.8 86 86 A N T 3 S+ 0 0 147 1,-0.3 3,-0.1 -2,-0.2 -42,-0.1 0.589 127.1 31.7 -69.1 -11.2 4.2 34.8 12.4 87 87 A N T 3 S+ 0 0 47 1,-0.2 40,-2.9 -44,-0.1 -1,-0.3 0.174 120.8 50.7-129.6 19.1 7.4 33.7 10.6 88 88 A A E < + L 0 85D 0 -3,-1.3 -3,-2.7 38,-0.2 -44,-0.3 -0.807 42.8 134.1-158.7 110.7 8.6 31.0 13.0 89 89 A D E S+ 0 0 43 -46,-3.0 -8,-2.5 1,-0.3 2,-0.3 0.418 76.8 32.9-130.9 -4.9 6.7 28.0 14.3 90 90 A T E -KL 43 80D 2 -47,-2.3 -47,-2.5 -10,-0.3 2,-0.4 -0.976 63.1-160.4-148.7 149.6 9.2 25.2 13.8 91 91 A Y E -KL 42 79D 35 -12,-2.3 -12,-3.0 -2,-0.3 2,-0.5 -0.989 16.5-136.6-138.7 146.7 13.0 24.9 13.8 92 92 A L E -KL 41 78D 0 -51,-2.1 -51,-1.9 -2,-0.4 2,-0.6 -0.892 22.7-157.3 -93.0 127.1 15.5 22.5 12.4 93 93 A E E -KL 40 77D 42 -16,-3.0 -16,-2.3 -2,-0.5 2,-0.4 -0.971 3.7-154.1-110.1 121.7 18.1 21.8 15.0 94 94 A I E +KL 39 76D 1 -55,-2.7 -55,-1.8 -2,-0.6 2,-0.3 -0.803 18.8 174.7 -96.5 132.0 21.4 20.5 13.6 95 95 A S E - 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