==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE-BINDING MODULE 24-AUG-06 2J43 . COMPND 2 MOLECULE: SPYDX; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR A.LAMMERTS VAN BUEREN,M.HIGGINS,D.WANG,R.D.BURKE, . 437 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 29.7 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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-2), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 49 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 . 0 0 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 PARALLEL BRIDGES PER LADDER . 10 8 4 2 0 4 4 0 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 0 0 8 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 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 75 0, 0.0 59,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 155.8 33.9 3.9 73.1 2 6 A S + 0 0 116 57,-0.2 2,-0.4 1,-0.1 58,-0.1 0.650 360.0 43.4 -77.7 -19.4 33.5 2.6 69.5 3 7 A H - 0 0 67 56,-0.4 56,-2.8 2,-0.0 2,-0.3 -0.976 64.0-177.7-134.1 145.2 31.6 5.7 68.3 4 8 A H E -A 58 0A 72 -2,-0.4 2,-0.6 54,-0.3 52,-0.0 -0.962 22.1-138.7-137.2 153.4 32.1 9.4 68.8 5 9 A L E -A 57 0A 0 52,-2.5 52,-2.5 -2,-0.3 2,-0.8 -0.965 18.6-147.3-111.1 113.5 30.4 12.6 67.7 6 10 A R E -Ab 56 94A 89 87,-2.6 89,-2.4 -2,-0.6 2,-0.6 -0.757 17.0-157.3 -82.2 110.7 32.9 15.3 66.6 7 11 A X E -Ab 55 95A 0 48,-2.8 48,-2.0 -2,-0.8 2,-0.5 -0.845 5.8-162.5 -97.2 116.9 31.3 18.5 67.7 8 12 A H E -Ab 54 96A 10 87,-2.6 89,-3.5 -2,-0.6 2,-0.5 -0.876 4.4-165.1 -97.7 122.2 32.4 21.6 65.9 9 13 A F E -Ab 53 97A 3 44,-3.4 44,-2.6 -2,-0.5 3,-0.2 -0.936 11.2-162.2-109.3 130.2 31.6 24.9 67.6 10 14 A K S S+ 0 0 73 87,-2.3 2,-0.4 -2,-0.5 -1,-0.2 0.930 79.6 7.4 -69.3 -49.8 31.8 28.2 65.6 11 15 A T - 0 0 82 86,-0.3 -1,-0.3 87,-0.1 3,-0.1 -0.949 67.8-149.4-143.3 123.8 31.9 30.5 68.6 12 16 A L - 0 0 25 -2,-0.4 3,-0.1 -3,-0.2 4,-0.1 -0.402 53.0 -61.0 -87.7 163.9 32.2 29.8 72.3 13 17 A P S > S- 0 0 22 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 -0.152 70.1 -95.8 -50.6 132.1 30.7 32.0 75.0 14 18 A A T 3 S- 0 0 104 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.174 98.7 -1.4 -56.9 130.1 32.2 35.5 74.8 15 19 A G T 3 S+ 0 0 91 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.474 95.2 129.9 73.4 5.1 35.1 36.2 77.1 16 20 A E < - 0 0 63 -3,-1.8 2,-0.2 -4,-0.1 -1,-0.2 -0.769 54.3-128.9 -96.5 136.9 35.2 32.9 78.8 17 21 A S >> - 0 0 78 -2,-0.4 3,-2.3 1,-0.1 4,-0.7 -0.587 16.4-124.6 -76.0 144.1 38.4 30.9 79.1 18 22 A L G >4 S+ 0 0 50 1,-0.3 3,-0.7 -2,-0.2 26,-0.5 0.790 111.8 64.2 -54.8 -34.2 38.6 27.3 78.0 19 23 A G G 34 S+ 0 0 56 1,-0.2 -1,-0.3 24,-0.2 25,-0.0 0.546 109.2 38.6 -67.6 -12.6 39.8 26.4 81.5 20 24 A S G <4 S+ 0 0 28 -3,-2.3 54,-1.2 52,-0.0 2,-0.4 0.391 100.3 92.4-113.0 -4.4 36.5 27.6 82.9 21 25 A L E << -E 73 0B 5 -4,-0.7 22,-2.4 -3,-0.7 2,-0.4 -0.755 52.1-170.2 -98.0 138.5 34.2 26.2 80.1 22 26 A G E -EF 72 42B 6 50,-2.3 50,-2.5 -2,-0.4 2,-0.7 -0.957 21.6-141.8-125.1 149.6 32.5 22.8 80.2 23 27 A L E -EF 71 41B 0 18,-2.6 18,-2.8 -2,-0.4 2,-0.5 -0.931 23.7-164.7-105.6 112.6 30.5 20.7 77.7 24 28 A W E -E 70 0B 32 46,-2.6 46,-1.9 -2,-0.7 2,-0.3 -0.838 13.1-170.5-106.5 120.9 27.7 19.1 79.6 25 29 A V E +E 69 0B 3 -2,-0.5 8,-2.5 44,-0.2 2,-0.3 -0.907 17.1 159.0-126.8 147.3 26.1 16.1 77.8 26 30 A W E +E 68 0B 71 42,-2.5 42,-2.6 -2,-0.3 2,-0.3 -0.860 41.8 54.3-149.0-173.7 23.1 13.8 78.0 27 31 A G E S+E 67 0B 41 -2,-0.3 2,-1.9 40,-0.2 40,-0.2 -0.645 113.2 2.2 80.0-141.8 21.0 11.5 75.8 28 32 A D S S+ 0 0 41 38,-3.1 32,-2.3 -2,-0.3 2,-0.2 -0.217 96.5 124.1 -86.3 50.4 22.7 8.9 73.7 29 33 A V B -I 59 0C 9 -2,-1.9 30,-0.3 30,-0.3 32,-0.1 -0.673 69.7-119.0-102.0 158.2 26.2 9.6 74.9 30 34 A D S S+ 0 0 60 28,-2.1 29,-0.2 1,-0.3 31,-0.1 0.890 103.8 18.4 -64.5 -41.8 28.6 7.0 76.5 31 35 A Q S S- 0 0 140 27,-0.5 -1,-0.3 -5,-0.1 -6,-0.2 -0.775 79.4-148.2-138.3 90.1 28.9 8.8 79.8 32 36 A P - 0 0 69 0, 0.0 -6,-0.2 0, 0.0 -8,-0.0 -0.224 36.7 -94.6 -54.7 145.3 26.3 11.5 80.6 33 37 A S - 0 0 21 -8,-2.5 2,-0.3 8,-0.0 7,-0.1 -0.315 46.8-173.3 -61.5 142.1 27.6 14.3 82.7 34 38 A K + 0 0 165 5,-0.3 5,-0.1 1,-0.2 -9,-0.0 -0.948 49.7 38.3-137.1 159.2 27.2 14.1 86.4 35 39 A D S > S- 0 0 132 -2,-0.3 4,-2.3 3,-0.1 5,-0.2 0.999 96.3 -92.5 65.2 78.6 27.8 16.4 89.4 36 40 A W T 4 S- 0 0 107 1,-0.3 -1,-0.1 2,-0.2 -12,-0.0 -0.379 90.7 -7.5 -64.6 138.3 26.8 19.8 88.2 37 41 A P T >4 S+ 0 0 19 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 -0.987 128.0 51.9 -97.8 -4.7 28.7 21.8 87.0 38 42 A N T 34 S+ 0 0 122 1,-0.3 -2,-0.2 -3,-0.2 -3,-0.1 0.716 93.4 73.6 -78.2 -15.4 32.2 20.4 87.3 39 43 A G T 3< S+ 0 0 35 -4,-2.3 -5,-0.3 -5,-0.1 -1,-0.3 0.499 73.4 111.8 -70.2 -6.0 31.4 17.0 85.8 40 44 A A S < S- 0 0 15 -3,-1.5 2,-0.4 -5,-0.2 -16,-0.2 -0.262 85.6 -91.3 -61.2 159.1 31.2 18.5 82.3 41 45 A I E -F 23 0B 41 -18,-2.8 -18,-2.6 1,-0.1 2,-0.3 -0.592 48.6-116.7 -65.3 125.8 33.9 17.7 79.7 42 46 A T E > -F 22 0B 47 -2,-0.4 3,-2.0 -20,-0.2 -20,-0.2 -0.559 13.2-142.8 -69.8 128.9 36.5 20.3 80.1 43 47 A X G > S+ 0 0 0 -22,-2.4 3,-1.4 -25,-0.4 -24,-0.2 0.525 91.1 86.4 -77.2 -0.4 36.8 22.4 77.0 44 48 A T G 3 S+ 0 0 80 -26,-0.5 -1,-0.3 -23,-0.3 -25,-0.1 0.788 83.1 62.8 -54.6 -26.3 40.5 22.6 77.4 45 49 A K G < S+ 0 0 145 -3,-2.0 -1,-0.2 -27,-0.1 11,-0.2 0.558 84.1 101.7 -76.5 -11.9 40.3 19.3 75.5 46 50 A A < - 0 0 10 -3,-1.4 2,-0.4 9,-0.1 9,-0.2 -0.357 63.9-144.7 -69.0 152.5 38.9 21.1 72.5 47 51 A K E -C 54 0A 127 7,-2.4 7,-2.3 -2,-0.1 2,-0.2 -0.938 14.8-114.3-123.7 146.5 41.2 21.9 69.6 48 52 A K E +C 53 0A 130 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.540 42.7 161.2 -77.3 135.9 41.3 24.9 67.3 49 53 A D - 0 0 44 3,-2.3 3,-0.0 -2,-0.2 0, 0.0 -0.847 54.6 -81.9-139.8-176.8 40.4 24.3 63.7 50 54 A D S S+ 0 0 127 -2,-0.3 3,-0.0 1,-0.2 -2,-0.0 0.889 125.7 44.5 -59.1 -41.4 39.3 26.5 60.7 51 55 A Y S S- 0 0 13 1,-0.1 -1,-0.2 -3,-0.0 2,-0.2 0.842 126.7 -86.6 -72.0 -32.6 35.6 26.6 61.6 52 56 A G S S- 0 0 3 -5,-0.1 -3,-2.3 -41,-0.1 2,-0.3 -0.660 77.3 -19.5 162.8-117.2 36.2 27.2 65.3 53 57 A Y E -AC 9 48A 73 -44,-2.6 -44,-3.4 -5,-0.2 2,-0.4 -0.942 53.6-160.4-121.4 153.7 36.8 24.6 68.0 54 58 A Y E -AC 8 47A 51 -7,-2.3 -7,-2.4 -2,-0.3 2,-0.3 -0.991 8.9-178.5-135.9 154.8 36.0 21.0 68.1 55 59 A L E -A 7 0A 10 -48,-2.0 -48,-2.8 -2,-0.4 2,-0.4 -0.984 23.9-130.5-149.2 130.3 35.6 18.4 70.7 56 60 A D E -A 6 0A 58 -2,-0.3 -50,-0.2 -50,-0.2 38,-0.1 -0.759 18.5-162.3 -91.2 125.7 34.9 14.6 70.4 57 61 A V E -A 5 0A 1 -52,-2.5 -52,-2.5 -2,-0.4 2,-0.1 -0.947 20.4-126.2-110.8 113.9 32.0 13.3 72.5 58 62 A P E -A 4 0A 44 0, 0.0 -28,-2.1 0, 0.0 -27,-0.5 -0.371 29.9-143.3 -59.1 135.1 31.9 9.5 73.0 59 63 A L B -I 29 0C 2 -56,-2.8 -56,-0.4 -30,-0.3 -30,-0.3 -0.601 25.0 -80.3-102.2 161.2 28.5 8.1 72.0 60 64 A A - 0 0 15 -32,-2.3 -30,-0.2 -2,-0.2 -1,-0.1 -0.246 33.9-125.4 -58.9 146.9 26.4 5.3 73.5 61 65 A A S S+ 0 0 64 -32,-0.1 2,-0.3 -31,-0.1 -1,-0.1 0.790 93.8 20.4 -63.5 -31.6 27.3 1.7 72.5 62 66 A K S S+ 0 0 116 1,-0.2 -1,-0.1 0, 0.0 -2,-0.1 -0.973 113.3 28.4-139.4 154.9 23.7 1.2 71.3 63 67 A H - 0 0 133 -2,-0.3 2,-1.1 1,-0.2 3,-0.3 0.974 59.4-175.9 60.8 67.2 20.7 3.3 70.3 64 68 A R + 0 0 29 1,-0.2 28,-0.2 -3,-0.1 -1,-0.2 -0.758 35.8 121.5 -93.3 89.0 22.4 6.4 68.9 65 69 A Q + 0 0 128 -2,-1.1 22,-2.8 1,-0.3 2,-0.3 0.673 68.6 14.8-119.0 -38.6 19.5 8.7 68.0 66 70 A Q E - G 0 86B 105 -3,-0.3 -38,-3.1 20,-0.2 2,-0.4 -0.979 51.1-166.3-150.9 139.1 19.8 12.0 69.9 67 71 A V E -EG 27 85B 0 18,-2.3 18,-3.2 -2,-0.3 2,-0.3 -0.977 9.5-163.3-123.6 135.4 22.4 13.9 71.9 68 72 A S E +EG 26 84B 10 -42,-2.6 -42,-2.5 -2,-0.4 2,-0.3 -0.878 17.4 160.1-116.6 155.8 21.8 16.8 74.1 69 73 A Y E -EG 25 83B 2 14,-2.2 14,-2.6 -2,-0.3 2,-0.3 -0.989 20.0-168.7-162.2 163.5 24.3 19.3 75.4 70 74 A L E -E 24 0B 5 -46,-1.9 -46,-2.6 -2,-0.3 2,-0.5 -0.964 25.7-122.3-151.5 164.5 25.0 22.6 76.9 71 75 A I E +E 23 0B 0 -2,-0.3 8,-1.9 10,-0.3 9,-1.2 -0.953 38.8 171.9-109.1 125.9 28.1 24.8 77.5 72 76 A N E -EH 22 78B 4 -50,-2.5 -50,-2.3 -2,-0.5 2,-0.3 -0.593 22.2-133.8-119.8 178.0 28.5 25.8 81.1 73 77 A N E > -E 21 0B 5 4,-1.0 3,-2.0 -52,-0.2 -52,-0.2 -0.829 35.1 -99.2-129.1 174.3 31.1 27.5 83.3 74 78 A K T 3 S+ 0 0 144 -54,-1.2 -36,-0.1 1,-0.3 -53,-0.1 0.771 119.8 64.3 -72.5 -18.4 32.6 26.7 86.6 75 79 A A T 3 S- 0 0 85 -55,-0.2 -1,-0.3 -38,-0.1 -55,-0.0 0.536 119.9-110.0 -71.9 -6.9 30.3 29.2 88.3 76 80 A G < + 0 0 22 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.630 65.8 150.3 87.8 14.3 27.5 26.9 87.2 77 81 A E - 0 0 105 1,-0.1 2,-1.0 2,-0.0 -4,-1.0 -0.592 47.9-134.1 -78.0 140.6 25.9 29.1 84.5 78 82 A N B +H 72 0B 67 -2,-0.3 -6,-0.2 -6,-0.2 4,-0.1 -0.828 31.4 176.6 -90.1 99.1 24.2 27.5 81.6 79 83 A L S S+ 0 0 50 -8,-1.9 -7,-0.2 -2,-1.0 -1,-0.2 0.815 72.7 33.7 -80.2 -31.9 25.7 29.7 78.9 80 84 A S S S- 0 0 6 -9,-1.2 -1,-0.2 1,-0.1 -8,-0.1 0.637 102.7-124.0 -89.4 -21.1 24.3 28.1 75.7 81 85 A K - 0 0 159 -10,-0.3 -10,-0.3 2,-0.1 2,-0.1 0.088 52.8 -53.5 70.0 161.8 20.8 27.1 77.0 82 86 A D - 0 0 79 -12,-0.1 2,-0.3 -4,-0.1 -12,-0.2 -0.471 65.5-168.7 -64.9 142.3 20.0 23.4 76.6 83 87 A Q E -G 69 0B 42 -14,-2.6 -14,-2.2 -2,-0.1 2,-0.4 -0.888 9.5-152.9-136.0 155.8 20.4 22.1 73.0 84 88 A H E -G 68 0B 116 -2,-0.3 2,-0.5 -16,-0.2 -16,-0.2 -0.999 2.4-163.4-139.5 134.0 19.5 18.9 71.2 85 89 A I E -G 67 0B 5 -18,-3.2 -18,-2.3 -2,-0.4 2,-0.5 -0.968 12.2-146.4-121.7 124.2 20.9 17.1 68.1 86 90 A S E -G 66 0B 78 -2,-0.5 2,-0.6 -20,-0.2 -20,-0.2 -0.789 16.6-139.1 -81.7 125.2 19.1 14.5 66.1 87 91 A L - 0 0 14 -22,-2.8 4,-0.0 -2,-0.5 18,-0.0 -0.811 7.7-151.6 -84.9 119.7 21.6 11.9 64.8 88 92 A L S S- 0 0 73 -2,-0.6 -1,-0.2 1,-0.2 -23,-0.0 0.809 80.3 -1.1 -66.1 -30.9 20.3 11.2 61.3 89 93 A T S > S- 0 0 34 -3,-0.1 3,-2.2 129,-0.0 -1,-0.2 -0.956 81.0-104.9-146.6 158.4 21.7 7.7 61.5 90 94 A P T 3 S+ 0 0 63 0, 0.0 -25,-0.1 0, 0.0 -2,-0.1 0.676 120.4 59.7 -60.6 -16.3 23.6 5.9 64.2 91 95 A K T 3 S+ 0 0 156 -88,-0.0 2,-0.3 125,-0.0 -3,-0.0 0.444 71.1 124.7 -88.3 -0.1 26.7 6.3 62.1 92 96 A X < + 0 0 6 -3,-2.2 3,-0.1 -28,-0.2 -5,-0.0 -0.478 30.1 167.4 -65.5 118.1 26.5 10.2 62.2 93 97 A N + 0 0 91 -2,-0.3 -87,-2.6 1,-0.1 2,-0.3 0.207 49.1 44.2-117.0 7.9 29.9 11.1 63.6 94 98 A E E +b 6 0A 54 -89,-0.3 2,-0.3 11,-0.1 -87,-0.2 -0.982 53.1 177.1-163.8 134.6 30.3 14.8 63.0 95 99 A V E -b 7 0A 0 -89,-2.4 -87,-2.6 -2,-0.3 2,-0.5 -0.991 19.9-139.9-148.1 153.5 28.2 18.0 63.5 96 100 A W E -bD 8 104A 15 8,-2.4 8,-1.7 -2,-0.3 2,-0.6 -0.961 12.5-163.2-120.0 124.2 28.6 21.7 63.1 97 101 A I E -bD 9 103A 1 -89,-3.5 -87,-2.3 -2,-0.5 -86,-0.3 -0.924 13.7-151.0-112.1 115.2 27.1 24.1 65.6 98 102 A D > - 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