==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 04-SEP-12 4B9F . COMPND 2 MOLECULE: CELLULOSOMAL-SCAFFOLDING PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM ATCC 27405; . AUTHOR O.YANIV,L.J.W.SHIMON,E.A.BAYER,R.LAMED,F.FROLOW . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13099.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 69.7 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 44.1 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 . 3 1.0 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 . 38 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.9 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 0 140 0, 0.0 26,-1.3 0, 0.0 27,-1.0 0.000 360.0 360.0 360.0 112.0 32.1 3.8 30.4 2 2 A L E -A 26 0A 14 148,-0.4 2,-0.4 24,-0.2 24,-0.2 -0.963 360.0-143.6-141.2 157.8 28.9 3.8 28.5 3 3 A K E -A 25 0A 76 22,-2.4 22,-2.6 -2,-0.3 2,-0.5 -0.953 16.2-157.1-116.6 138.9 26.9 1.8 26.0 4 4 A V E -A 24 0A 0 -2,-0.4 134,-0.9 20,-0.2 2,-0.3 -0.975 9.8-177.8-120.7 128.8 24.7 3.4 23.3 5 5 A E E +AB 23 137A 37 18,-2.6 18,-2.5 -2,-0.5 2,-0.3 -0.900 13.7 172.8-120.7 156.5 21.8 1.7 21.6 6 6 A F E +AB 22 136A 0 130,-2.6 130,-1.7 -2,-0.3 2,-0.3 -0.995 16.7 164.0-159.0 149.4 19.8 3.3 18.9 7 7 A Y E -A 21 0A 23 14,-1.7 14,-2.6 -2,-0.3 2,-0.5 -0.926 35.5-116.5-162.5 162.2 17.1 3.1 16.2 8 8 A N E -Ac 20 131A 2 122,-2.8 124,-0.6 -2,-0.3 -2,-0.0 -0.884 20.1-154.6 -93.9 126.6 14.8 5.3 14.1 9 9 A S S S+ 0 0 15 10,-1.8 156,-0.3 -2,-0.5 -1,-0.1 0.831 83.2 49.9 -74.5 -29.8 11.2 4.7 14.9 10 10 A N - 0 0 6 9,-0.2 9,-0.3 153,-0.2 -1,-0.2 -0.927 63.6-177.5-113.1 112.2 9.9 5.8 11.5 11 11 A P + 0 0 44 0, 0.0 -1,-0.1 0, 0.0 120,-0.1 0.439 33.3 131.0 -92.5 0.7 11.6 4.1 8.6 12 12 A S - 0 0 10 150,-0.4 111,-0.2 1,-0.1 -2,-0.1 -0.264 56.2-137.9 -56.5 135.0 9.9 5.8 5.6 13 13 A D S S+ 0 0 75 1,-0.1 110,-2.7 109,-0.1 2,-0.5 0.936 94.0 45.2 -61.5 -47.1 12.4 7.1 3.1 14 14 A T E S+H 122 0B 51 108,-0.2 2,-0.3 109,-0.1 108,-0.2 -0.873 79.3 145.5 -99.4 125.1 10.5 10.3 2.6 15 15 A T E -H 121 0B 8 106,-2.0 106,-3.1 -2,-0.5 3,-0.1 -0.993 50.0-144.2-156.1 149.9 9.3 11.9 5.8 16 16 A N S S+ 0 0 25 -2,-0.3 99,-0.4 104,-0.2 2,-0.3 0.383 91.5 52.9 -95.0 6.6 8.7 15.3 7.3 17 17 A S - 0 0 9 97,-0.1 2,-0.4 104,-0.1 97,-0.2 -0.966 65.2-157.6-147.4 120.5 9.8 14.1 10.7 18 18 A I B -D 113 0A 0 95,-2.2 95,-2.2 -2,-0.3 -10,-0.0 -0.841 9.9-166.4-101.6 136.5 13.0 12.3 11.9 19 19 A N - 0 0 9 -2,-0.4 -10,-1.8 -9,-0.3 2,-0.3 -0.676 3.2-172.6-130.2 75.8 12.7 10.3 15.1 20 20 A P E -A 8 0A 0 0, 0.0 91,-2.5 0, 0.0 2,-0.5 -0.551 7.6-159.9 -71.9 128.7 16.0 9.2 16.6 21 21 A Q E -AE 7 110A 8 -14,-2.6 -14,-1.7 -2,-0.3 2,-0.4 -0.957 12.5-175.7-111.0 120.2 15.6 6.9 19.6 22 22 A F E -AE 6 109A 0 87,-2.5 87,-3.0 -2,-0.5 2,-0.4 -0.908 15.1-174.4-114.9 145.1 18.6 6.7 21.9 23 23 A K E -AE 5 108A 46 -18,-2.5 -18,-2.6 -2,-0.4 2,-0.5 -0.957 9.5-171.4-135.0 119.8 19.3 4.5 25.0 24 24 A V E -AE 4 107A 0 83,-2.7 83,-2.4 -2,-0.4 2,-0.4 -0.940 2.6-166.6-116.4 124.9 22.5 5.2 26.9 25 25 A T E -AE 3 106A 23 -22,-2.6 -22,-2.4 -2,-0.5 2,-0.9 -0.926 20.4-133.3-115.6 133.9 23.5 2.8 29.7 26 26 A N E +A 2 0A 1 79,-2.5 78,-2.9 -2,-0.4 -24,-0.2 -0.753 29.8 169.6 -84.4 106.2 26.2 3.5 32.3 27 27 A T + 0 0 84 -26,-1.3 -25,-0.2 -2,-0.9 -1,-0.2 0.290 49.4 89.7 -99.9 7.3 28.3 0.3 32.3 28 28 A G S S- 0 0 14 -27,-1.0 76,-0.1 2,-0.2 4,-0.1 -0.140 86.3-106.6 -95.1-167.5 31.1 1.8 34.5 29 29 A S S S+ 0 0 115 74,-0.1 2,-0.3 2,-0.1 -1,-0.0 0.525 92.9 54.1-101.4 -9.8 31.7 2.0 38.2 30 30 A S S S- 0 0 89 72,-0.1 -2,-0.2 -29,-0.1 71,-0.0 -0.900 88.0 -93.0-129.0 156.4 31.0 5.7 38.8 31 31 A A - 0 0 52 -2,-0.3 2,-0.4 72,-0.1 71,-0.2 -0.235 32.7-138.8 -63.6 152.0 28.1 8.1 38.1 32 32 A I E -I 101 0C 12 69,-2.1 69,-2.9 -4,-0.1 2,-0.8 -0.954 12.6-128.9-114.8 133.5 28.0 10.2 34.9 33 33 A D E > -I 100 0C 70 -2,-0.4 3,-1.9 67,-0.2 4,-0.3 -0.745 15.1-159.6 -81.0 108.6 26.9 13.9 34.9 34 34 A L G > S+ 0 0 0 65,-2.0 3,-1.5 -2,-0.8 62,-0.4 0.767 86.7 71.1 -63.3 -26.0 24.3 14.1 32.2 35 35 A S G 3 S+ 0 0 56 64,-0.7 -1,-0.3 1,-0.3 61,-0.1 0.664 102.7 45.9 -64.3 -13.5 24.8 17.9 31.9 36 36 A K G < S+ 0 0 94 -3,-1.9 110,-2.9 59,-0.1 111,-0.5 0.431 93.9 98.8-103.8 -3.5 28.1 16.9 30.3 37 37 A L E < +J 145 0D 1 -3,-1.5 59,-0.4 -4,-0.3 2,-0.3 -0.721 46.4 178.9 -93.2 130.3 26.8 14.2 27.9 38 38 A T E -J 144 0D 24 106,-2.7 106,-2.5 -2,-0.4 2,-0.4 -0.969 10.3-160.1-127.2 150.2 26.0 14.9 24.3 39 39 A L E -JK 143 94D 0 55,-2.1 55,-2.7 -2,-0.3 2,-0.4 -0.966 8.5-149.9-125.8 142.1 24.8 12.6 21.5 40 40 A R E -JK 142 93D 49 102,-2.6 102,-1.3 -2,-0.4 2,-0.5 -0.955 11.2-172.2-122.1 133.3 25.0 13.1 17.8 41 41 A Y E - K 0 92D 1 51,-2.3 51,-2.4 -2,-0.4 2,-0.3 -0.980 20.2-153.1-118.2 113.5 22.7 12.0 15.0 42 42 A Y E + K 0 91D 26 -2,-0.5 86,-2.4 98,-0.5 87,-0.3 -0.704 28.7 137.6 -96.6 138.5 24.3 12.7 11.6 43 43 A Y E - K 0 90D 0 47,-2.6 46,-2.7 -2,-0.3 47,-2.1 -0.931 51.9 -96.8-160.4 175.7 22.2 13.2 8.4 44 44 A T - 0 0 7 78,-0.3 78,-0.4 -2,-0.3 81,-0.1 -0.955 25.2-146.9-108.4 128.1 21.8 15.3 5.2 45 45 A V - 0 0 8 -2,-0.5 -1,-0.1 76,-0.1 81,-0.0 0.740 19.9-145.2 -69.1 -23.9 19.3 18.1 5.6 46 46 A D S S+ 0 0 52 75,-0.1 -1,-0.1 -3,-0.0 -2,-0.0 0.953 81.2 7.4 57.9 56.9 18.1 17.8 1.9 47 47 A G S S- 0 0 45 2,-0.0 2,-0.1 74,-0.0 -3,-0.0 0.573 97.1-105.3 103.2 101.9 17.5 21.6 1.5 48 48 A Q + 0 0 96 67,-0.0 2,-0.3 3,-0.0 -2,-0.0 -0.369 55.7 148.5 -63.3 127.3 18.6 23.8 4.3 49 49 A K - 0 0 82 -2,-0.1 2,-0.0 70,-0.0 -2,-0.0 -0.960 55.4 -81.5-147.8 158.4 15.8 25.2 6.4 50 50 A D - 0 0 120 -2,-0.3 66,-2.9 65,-0.1 67,-0.3 -0.392 53.1-162.7 -58.8 141.7 15.3 26.2 10.0 51 51 A Q E -F 115 0A 24 64,-0.3 2,-0.3 65,-0.1 64,-0.2 -0.892 11.5-155.7-129.5 157.8 14.7 23.1 12.1 52 52 A T E -F 114 0A 46 62,-2.3 62,-1.8 -2,-0.3 2,-0.4 -0.994 5.1-151.9-136.8 142.6 13.4 22.4 15.6 53 53 A F E +F 113 0A 19 -2,-0.3 2,-0.3 23,-0.3 23,-0.3 -0.913 14.2 175.1-110.7 138.7 13.9 19.5 18.0 54 54 A W E -F 112 0A 95 58,-2.8 58,-1.4 -2,-0.4 2,-0.6 -0.995 26.9-132.5-134.7 145.7 11.5 18.2 20.6 55 55 A C E -F 111 0A 19 -2,-0.3 56,-0.2 19,-0.3 3,-0.2 -0.882 11.3-164.8 -93.5 123.6 11.8 15.2 22.9 56 56 A D E S- 0 0 16 54,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.832 74.8 -13.4 -68.5 -36.7 8.6 13.1 22.9 57 57 A H E +F 110 0A 7 53,-1.0 53,-2.8 14,-0.1 2,-0.3 -0.899 62.6 173.4-168.8 131.9 9.6 11.2 26.0 58 58 A A E +F 109 0A 0 -2,-0.3 12,-2.5 51,-0.2 13,-0.7 -0.987 7.8 171.5-145.2 145.6 12.8 10.7 28.1 59 59 A A E -FG 108 69A 2 49,-1.7 49,-2.4 -2,-0.3 2,-0.6 -0.997 29.9-132.9-151.3 147.9 13.4 9.0 31.4 60 60 A I E -FG 107 68A 14 8,-2.7 8,-2.1 -2,-0.3 2,-0.6 -0.919 25.2-160.4 -98.3 123.0 16.2 7.9 33.6 61 61 A I E -FG 106 67A 37 45,-3.1 45,-2.2 -2,-0.6 6,-0.2 -0.930 11.2-139.3-108.8 119.9 15.7 4.3 34.7 62 62 A G > - 0 0 17 4,-1.8 3,-1.7 -2,-0.6 42,-0.1 -0.174 28.7-101.7 -72.3 169.7 17.6 3.2 37.8 63 63 A S T 3 S+ 0 0 98 1,-0.3 -1,-0.1 40,-0.2 41,-0.1 0.759 126.1 49.0 -63.2 -23.5 19.3 -0.1 38.3 64 64 A N T 3 S- 0 0 131 2,-0.0 -1,-0.3 0, 0.0 41,-0.0 0.390 128.7 -97.3 -93.0 -2.0 16.3 -1.2 40.5 65 65 A G < + 0 0 51 -3,-1.7 -2,-0.1 1,-0.2 40,-0.0 0.509 66.5 161.2 96.4 8.2 13.8 -0.0 37.9 66 66 A S - 0 0 58 1,-0.1 -4,-1.8 -5,-0.1 2,-0.5 -0.266 31.1-137.5 -59.6 149.7 13.1 3.4 39.4 67 67 A Y E +G 61 0A 118 -6,-0.2 2,-0.5 -8,-0.0 -6,-0.2 -0.951 24.8 174.2-117.9 122.1 11.5 5.8 36.9 68 68 A N E -G 60 0A 93 -8,-2.1 -8,-2.7 -2,-0.5 2,-0.2 -0.909 23.0-144.8-127.6 104.3 12.5 9.5 36.7 69 69 A G E +G 59 0A 37 -2,-0.5 -10,-0.3 -10,-0.2 3,-0.1 -0.501 28.0 164.2 -69.2 129.5 10.8 11.4 33.8 70 70 A I > + 0 0 8 -12,-2.5 3,-2.4 -2,-0.2 4,-0.4 0.041 23.8 132.6-134.3 24.8 13.2 14.0 32.3 71 71 A T G > S+ 0 0 39 -13,-0.7 3,-1.4 1,-0.3 -16,-0.2 0.857 74.5 49.6 -50.2 -46.2 11.5 14.8 29.0 72 72 A S G 3 S+ 0 0 116 1,-0.3 -1,-0.3 -14,-0.1 -2,-0.0 0.416 101.3 65.7 -79.4 3.2 11.8 18.6 29.4 73 73 A N G < S+ 0 0 58 -3,-2.4 24,-2.3 -15,-0.1 2,-0.7 0.445 79.7 96.9 -96.4 -4.5 15.5 18.4 30.3 74 74 A V E < -L 96 0D 13 -3,-1.4 -19,-0.3 -4,-0.4 2,-0.3 -0.795 56.6-170.6 -96.2 116.5 16.4 17.1 26.9 75 75 A K E -L 95 0D 102 20,-2.6 20,-2.5 -2,-0.7 2,-0.4 -0.772 6.8-159.1-105.8 151.5 17.7 19.8 24.5 76 76 A G E +L 94 0D 25 -2,-0.3 -23,-0.3 -23,-0.3 2,-0.3 -0.994 10.3 176.3-134.1 136.4 18.4 19.6 20.8 77 77 A T E -L 93 0D 73 16,-2.1 16,-3.1 -2,-0.4 2,-0.5 -0.954 24.7-128.9-133.2 153.2 20.6 21.8 18.6 78 78 A F E -L 92 0D 52 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.898 21.8-169.9-110.6 127.4 21.5 21.6 14.9 79 79 A V E -L 91 0D 44 12,-2.8 12,-2.4 -2,-0.5 2,-0.3 -0.966 14.2-140.1-121.8 123.3 25.1 21.8 13.9 80 80 A K E -L 90 0D 151 -2,-0.5 2,-0.6 10,-0.2 10,-0.3 -0.592 15.0-133.3 -77.1 138.7 26.4 22.1 10.3 81 81 A M E - 0 0 53 8,-2.8 3,-0.2 -2,-0.3 -1,-0.0 -0.833 9.8-150.9 -89.2 123.3 29.4 20.1 9.2 82 82 A S E S+ 0 0 134 -2,-0.6 2,-0.6 1,-0.3 -1,-0.1 0.791 92.1 40.8 -71.4 -26.6 31.7 22.5 7.4 83 83 A S E S- 0 0 98 -3,-0.1 -1,-0.3 6,-0.0 2,-0.1 -0.911 90.0-158.8-117.2 100.9 33.0 19.7 5.3 84 84 A S E - 0 0 74 -2,-0.6 5,-0.2 -3,-0.2 2,-0.2 -0.398 6.3-148.6 -80.5 156.1 30.1 17.4 4.4 85 85 A T E > -L 88 0D 71 3,-2.9 3,-0.9 -2,-0.1 -4,-0.1 -0.607 40.3 -91.1-107.1 176.7 30.2 13.8 3.3 86 86 A N T 3 S+ 0 0 164 1,-0.2 3,-0.1 -2,-0.2 -42,-0.0 0.760 127.1 26.2 -61.1 -26.1 27.8 12.1 0.9 87 87 A N T 3 S+ 0 0 58 1,-0.2 40,-3.1 39,-0.1 2,-0.3 0.206 120.0 54.8-125.4 16.5 25.5 11.1 3.9 88 88 A A E < + L 0 85D 4 -3,-0.9 -3,-2.9 38,-0.2 -44,-0.3 -0.847 36.1 136.9-152.5 116.9 26.3 13.8 6.5 89 89 A D E S+ 0 0 44 -46,-2.7 -8,-2.8 1,-0.3 2,-0.3 0.417 78.6 25.2-125.1 -6.0 26.1 17.5 6.3 90 90 A T E -KL 43 80D 5 -47,-2.1 -47,-2.6 -10,-0.3 2,-0.4 -0.973 61.1-154.2-148.3 152.1 24.4 18.2 9.7 91 91 A Y E -KL 42 79D 30 -12,-2.4 -12,-2.8 -2,-0.3 2,-0.5 -0.999 16.2-135.3-129.8 146.0 24.0 16.6 13.1 92 92 A L E -KL 41 78D 0 -51,-2.4 -51,-2.3 -2,-0.4 2,-0.6 -0.820 24.3-154.2 -79.2 128.2 21.4 16.9 15.7 93 93 A E E -KL 40 77D 45 -16,-3.1 -16,-2.1 -2,-0.5 2,-0.4 -0.960 4.7-158.7-107.1 119.0 23.2 17.3 19.0 94 94 A I E +KL 39 76D 1 -55,-2.7 -55,-2.1 -2,-0.6 2,-0.3 -0.834 19.4 168.0 -95.5 133.6 21.2 16.1 22.0 95 95 A S E - 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