==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 12-MAR-09 3GLE . COMPND 2 MOLECULE: PILIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES SEROTYPE M1; . AUTHOR H.J.KANG,E.N.BAKER . 844 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43179.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 553 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 299 35.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), 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 . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 104 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 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 3 0 0 0 3 3 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 . 6 7 1 6 6 12 5 4 3 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 3 3 0 4 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 25 A T 0 0 98 0, 0.0 130,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -16.6 15.6 8.4 -44.6 2 26 A V E -A 130 0A 67 128,-0.1 2,-0.5 135,-0.1 128,-0.2 -0.960 360.0-156.0-130.9 117.9 17.2 9.4 -41.3 3 27 A V E -A 129 0A 49 126,-2.3 126,-1.8 -2,-0.4 2,-0.8 -0.812 7.2-150.9 -99.6 125.9 15.5 12.4 -39.6 4 28 A N E +A 128 0A 146 -2,-0.5 2,-0.3 124,-0.2 124,-0.3 -0.855 67.3 19.3 -93.6 106.4 17.3 14.6 -37.0 5 29 A G S S- 0 0 27 122,-1.8 -2,-0.1 -2,-0.8 120,-0.0 -0.913 98.1 -60.3 136.0-160.5 14.6 15.9 -34.7 6 30 A A S S+ 0 0 27 -2,-0.3 70,-2.8 107,-0.0 2,-0.4 0.372 95.1 83.9-111.9 0.6 11.0 15.4 -33.5 7 31 A K E -H 75 0B 126 68,-0.2 2,-0.5 69,-0.1 68,-0.2 -0.889 56.0-159.8-111.9 138.0 8.9 15.7 -36.6 8 32 A L E -H 74 0B 7 66,-2.6 66,-2.9 -2,-0.4 2,-0.2 -0.952 8.4-148.3-123.7 117.2 8.2 12.8 -39.0 9 33 A T E -H 73 0B 67 -2,-0.5 131,-0.5 64,-0.2 2,-0.4 -0.543 6.7-162.5 -80.3 139.0 7.0 13.4 -42.6 10 34 A V E -Hi 72 140B 0 62,-3.0 62,-2.2 -2,-0.2 2,-0.4 -0.975 9.6-153.6-117.2 139.8 4.8 11.0 -44.4 11 35 A T E -Hi 71 141B 22 129,-2.6 131,-2.5 -2,-0.4 2,-0.5 -0.931 4.6-159.3-115.6 134.7 4.5 11.2 -48.2 12 36 A K E -Hi 70 142B 0 58,-3.5 58,-2.4 -2,-0.4 2,-0.4 -0.969 9.7-170.2-108.1 133.2 1.6 10.1 -50.4 13 37 A N E -Hi 69 143B 39 129,-2.4 131,-2.5 -2,-0.5 2,-0.6 -0.976 11.3-155.1-119.4 131.9 2.1 9.4 -54.1 14 38 A L E - i 0 144B 8 54,-1.9 2,-0.8 -2,-0.4 131,-0.2 -0.951 9.3-156.7-101.8 117.9 -0.6 8.8 -56.7 15 39 A D E - i 0 145B 71 129,-2.9 131,-2.4 -2,-0.6 2,-0.6 -0.851 13.2-148.2 -92.5 109.1 0.7 6.8 -59.6 16 40 A L E - i 0 146B 34 -2,-0.8 131,-0.2 129,-0.2 3,-0.1 -0.672 13.2-160.8 -83.2 120.3 -1.6 7.5 -62.6 17 41 A V S S+ 0 0 99 129,-2.4 2,-0.6 -2,-0.6 -1,-0.2 0.964 95.7 35.4 -57.5 -49.6 -2.1 4.7 -65.1 18 42 A N S > S- 0 0 44 128,-0.5 3,-2.4 1,-0.1 -1,-0.2 -0.941 84.3-146.9-104.0 119.1 -3.2 7.3 -67.6 19 43 A S T 3 S+ 0 0 102 -2,-0.6 46,-0.2 1,-0.3 -1,-0.1 0.700 98.3 57.0 -62.6 -19.7 -1.1 10.5 -67.1 20 44 A N T 3 S+ 0 0 77 202,-0.1 -1,-0.3 44,-0.1 167,-0.1 0.252 81.1 139.9 -89.3 9.6 -4.1 12.6 -68.1 21 45 A A < - 0 0 2 -3,-2.4 2,-0.3 125,-0.1 203,-0.1 -0.188 57.6-116.9 -55.7 145.4 -6.4 11.1 -65.4 22 46 A L - 0 0 7 201,-0.4 -1,-0.1 42,-0.1 39,-0.1 -0.638 31.2-126.4 -72.4 144.2 -8.8 13.3 -63.4 23 47 A I - 0 0 1 38,-0.5 41,-0.2 -2,-0.3 40,-0.2 -0.834 22.7-126.8 -99.9 123.5 -7.8 13.3 -59.7 24 48 A P - 0 0 0 0, 0.0 2,-0.9 0, 0.0 156,-0.2 -0.359 19.2-112.0 -70.4 151.8 -10.6 12.4 -57.3 25 49 A N S S+ 0 0 36 154,-1.9 2,-0.3 35,-0.1 35,-0.2 -0.732 72.1 121.2 -75.4 105.7 -11.7 14.6 -54.3 26 50 A T E -B 59 0A 14 33,-2.1 33,-3.2 -2,-0.9 2,-0.3 -0.992 50.5-129.6-161.2 162.7 -10.5 12.2 -51.5 27 51 A D E -B 58 0A 15 -2,-0.3 2,-0.4 31,-0.2 31,-0.2 -0.795 5.3-149.7-115.7 164.9 -8.3 11.9 -48.5 28 52 A F E -B 57 0A 1 29,-2.5 29,-2.0 -2,-0.3 2,-0.4 -1.000 16.2-155.5-127.3 134.9 -5.7 9.4 -47.2 29 53 A T E -BC 56 94A 13 65,-1.1 65,-2.9 -2,-0.4 2,-0.4 -0.893 2.5-159.3-111.9 139.7 -5.3 8.9 -43.5 30 54 A F E -BC 55 93A 0 25,-2.9 25,-2.0 -2,-0.4 2,-0.4 -0.971 7.0-157.7-120.3 132.3 -2.1 7.6 -41.8 31 55 A K E -BC 54 92A 29 61,-2.5 61,-2.2 -2,-0.4 2,-0.4 -0.905 4.9-165.5-110.5 135.6 -2.1 6.1 -38.3 32 56 A I E + C 0 91A 4 21,-2.7 18,-0.3 -2,-0.4 59,-0.2 -0.981 18.9 163.7-115.5 132.6 0.8 5.9 -35.9 33 57 A E E - C 0 90A 80 57,-2.0 57,-2.5 -2,-0.4 14,-0.1 -0.978 43.7 -84.7-142.1 156.7 0.5 3.6 -32.9 34 58 A P E - C 0 89A 41 0, 0.0 2,-0.6 0, 0.0 55,-0.3 -0.324 46.1-116.0 -56.2 138.3 2.8 2.0 -30.3 35 59 A D - 0 0 10 53,-2.9 3,-0.3 10,-0.2 12,-0.2 -0.721 28.7-171.4 -77.8 122.1 4.4 -1.3 -31.5 36 60 A T S S+ 0 0 109 -2,-0.6 -1,-0.1 1,-0.2 10,-0.1 0.584 74.3 68.6 -93.1 -12.3 3.0 -4.0 -29.2 37 61 A T S S+ 0 0 105 2,-0.1 -1,-0.2 3,-0.0 9,-0.0 0.645 70.5 126.2 -79.7 -16.5 5.2 -6.9 -30.4 38 62 A V - 0 0 17 -3,-0.3 2,-1.3 1,-0.1 8,-0.1 -0.166 65.6-129.5 -57.4 125.9 8.4 -5.4 -29.0 39 63 A N - 0 0 146 6,-0.1 2,-0.5 1,-0.1 5,-0.2 -0.672 35.5-126.8 -69.9 97.5 10.4 -7.6 -26.7 40 64 A E + 0 0 117 -2,-1.3 5,-0.2 3,-0.1 2,-0.1 -0.365 42.7 173.2 -62.8 107.6 10.7 -5.0 -24.0 41 65 A D - 0 0 87 3,-1.6 -1,-0.0 -2,-0.5 -3,-0.0 -0.310 53.0 -98.5-100.1 178.7 14.3 -4.7 -23.3 42 66 A G S S+ 0 0 57 -2,-0.1 3,-0.1 1,-0.1 -2,-0.1 0.598 128.3 28.0 -67.4 -13.9 16.4 -2.4 -21.2 43 67 A N S S+ 0 0 115 1,-0.2 43,-2.8 42,-0.1 2,-0.5 0.682 111.9 63.7-121.7 -35.6 17.0 -0.6 -24.6 44 68 A K E -d 86 0A 92 -5,-0.2 -3,-1.6 41,-0.2 2,-0.3 -0.850 65.8-175.6 -95.1 132.4 13.9 -1.3 -26.9 45 69 A F E -d 87 0A 32 41,-3.3 43,-2.9 -2,-0.5 2,-0.2 -0.936 32.4-106.0-128.0 152.2 10.6 0.1 -25.7 46 70 A K E -d 88 0A 76 -2,-0.3 43,-0.1 41,-0.2 -10,-0.1 -0.532 56.8 -97.3 -60.8 135.3 7.0 0.1 -26.8 47 71 A G - 0 0 9 41,-2.3 2,-0.5 -12,-0.2 -1,-0.1 -0.135 29.0-118.9 -56.4 150.8 6.2 3.5 -28.3 48 72 A V - 0 0 51 -3,-0.1 -1,-0.1 -15,-0.1 31,-0.0 -0.852 39.6-107.0 -92.4 128.2 4.5 6.2 -26.2 49 73 A A - 0 0 60 -2,-0.5 2,-0.2 1,-0.1 -16,-0.1 -0.253 31.3-127.5 -62.5 136.6 1.1 7.1 -27.8 50 74 A L - 0 0 9 -18,-0.3 -1,-0.1 1,-0.1 26,-0.1 -0.542 8.8-130.5 -81.0 150.5 0.9 10.5 -29.5 51 75 A N S S+ 0 0 82 1,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.752 110.6 37.6 -67.2 -27.7 -1.8 13.1 -28.8 52 76 A T S S+ 0 0 98 23,-0.3 23,-0.4 1,-0.1 -1,-0.3 -0.761 71.0 167.1-126.1 81.5 -2.4 13.3 -32.6 53 77 A P + 0 0 12 0, 0.0 -21,-2.7 0, 0.0 2,-0.4 0.456 59.9 61.8 -77.8 -5.1 -2.1 9.7 -33.8 54 78 A M E +B 31 0A 23 -23,-0.2 2,-0.3 -25,-0.0 -23,-0.2 -0.961 55.0 171.3-121.4 142.7 -3.6 10.4 -37.2 55 79 A T E -B 30 0A 31 -25,-2.0 -25,-2.9 -2,-0.4 2,-0.3 -0.984 13.1-167.5-142.2 156.2 -2.5 12.7 -40.0 56 80 A K E -B 29 0A 91 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.947 19.7-146.4-146.8 160.9 -3.8 13.1 -43.5 57 81 A V E -B 28 0A 7 -29,-2.0 -29,-2.5 -2,-0.3 2,-0.4 -0.942 19.4-150.2-123.4 151.1 -3.4 14.4 -47.0 58 82 A T E -B 27 0A 70 -2,-0.3 2,-0.4 -31,-0.2 -31,-0.2 -0.971 4.0-160.7-128.6 130.0 -6.2 15.5 -49.3 59 83 A Y E -B 26 0A 0 -33,-3.2 -33,-2.1 -2,-0.4 2,-0.3 -0.864 11.2-174.6-103.3 145.1 -6.5 15.4 -53.1 60 84 A T > - 0 0 52 -2,-0.4 3,-2.6 -35,-0.2 4,-0.2 -0.905 43.1-101.3-130.6 163.2 -9.0 17.6 -55.1 61 85 A N G > S+ 0 0 7 -2,-0.3 3,-1.8 1,-0.3 -38,-0.5 0.864 118.8 65.9 -48.4 -41.4 -9.9 17.7 -58.8 62 86 A S G 3 S+ 0 0 103 1,-0.3 -1,-0.3 -40,-0.1 -37,-0.0 0.488 80.9 78.1 -63.4 -9.2 -7.8 20.9 -59.0 63 87 A D G X + 0 0 36 -3,-2.6 3,-2.3 -40,-0.2 5,-0.3 0.519 65.5 124.7 -72.5 -6.9 -4.6 18.8 -58.3 64 88 A K T < S+ 0 0 87 -3,-1.8 -42,-0.1 1,-0.3 3,-0.1 -0.325 75.4 19.3 -59.0 130.7 -4.7 17.6 -61.9 65 89 A G T 3 S+ 0 0 80 -46,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.262 104.5 109.6 90.5 -9.4 -1.4 18.4 -63.6 66 90 A G S < S- 0 0 48 -3,-2.3 -1,-0.2 1,-0.1 -3,-0.1 0.225 92.5 -80.2 -76.8-157.7 0.5 18.8 -60.3 67 91 A S - 0 0 89 2,-0.2 -53,-0.2 -3,-0.1 3,-0.1 0.621 47.4-136.4 -81.5 -14.0 3.1 16.4 -58.8 68 92 A N S S+ 0 0 36 -5,-0.3 -54,-1.9 1,-0.2 2,-0.4 0.651 70.7 116.2 59.7 16.8 0.4 14.0 -57.5 69 93 A T E +H 13 0B 48 -56,-0.2 2,-0.3 -58,-0.0 -56,-0.2 -0.953 41.3 176.8-119.4 133.3 2.5 14.0 -54.3 70 94 A K E -H 12 0B 58 -58,-2.4 -58,-3.5 -2,-0.4 2,-0.3 -0.978 11.1-153.9-136.2 151.0 1.5 15.3 -50.9 71 95 A T E +H 11 0B 94 -2,-0.3 2,-0.3 -60,-0.2 -60,-0.2 -0.864 14.9 167.3-122.3 151.1 3.0 15.4 -47.4 72 96 A A E -H 10 0B 17 -62,-2.2 -62,-3.0 -2,-0.3 2,-0.3 -0.854 22.0-138.4-142.1 177.8 1.8 15.5 -43.9 73 97 A E E -H 9 0B 100 -2,-0.3 2,-0.4 -64,-0.3 -64,-0.2 -0.996 8.5-135.5-146.1 152.9 3.6 14.9 -40.6 74 98 A F E -H 8 0B 2 -66,-2.9 -66,-2.6 -2,-0.3 2,-0.6 -0.826 26.3-137.5 -97.5 147.4 3.5 13.3 -37.1 75 99 A D E +H 7 0B 77 -23,-0.4 -23,-0.3 -2,-0.4 -24,-0.2 -0.917 28.5 168.5-114.2 116.8 4.6 15.4 -34.2 76 100 A F > + 0 0 2 -70,-2.8 3,-1.0 -2,-0.6 50,-0.3 0.350 56.1 97.3-102.8 4.4 6.8 13.7 -31.4 77 101 A S T 3 S+ 0 0 69 -71,-0.3 -1,-0.1 1,-0.3 49,-0.1 0.873 84.9 44.2 -65.4 -39.7 7.7 17.0 -29.7 78 102 A E T 3 S+ 0 0 137 -3,-0.2 2,-0.3 -72,-0.1 -1,-0.3 0.402 86.5 113.6 -89.3 0.6 5.0 16.8 -27.0 79 103 A V < - 0 0 17 -3,-1.0 2,-0.7 -31,-0.0 47,-0.2 -0.580 62.4-138.7 -75.4 133.6 5.6 13.1 -26.2 80 104 A T - 0 0 102 -2,-0.3 2,-0.6 45,-0.1 45,-0.1 -0.839 17.1-167.4 -94.5 115.5 7.0 12.5 -22.7 81 105 A F - 0 0 10 -2,-0.7 4,-0.0 43,-0.5 -2,-0.0 -0.917 9.1-161.0-105.7 121.8 9.7 9.8 -22.7 82 106 A E S S+ 0 0 170 -2,-0.6 -1,-0.1 1,-0.1 -2,-0.0 0.770 72.3 14.4 -73.7 -24.8 10.6 8.5 -19.3 83 107 A K S S- 0 0 128 40,-0.1 -1,-0.1 41,-0.0 32,-0.1 -0.976 84.6 -95.8-146.8 153.4 14.0 7.0 -20.3 84 108 A P S S+ 0 0 65 0, 0.0 2,-0.3 0, 0.0 32,-0.2 -0.429 70.5 95.5 -68.1 151.2 16.5 7.1 -23.2 85 109 A G E S- E 0 115A 15 30,-2.6 30,-3.1 -2,-0.1 2,-0.6 -0.946 77.8 -58.8 158.9-173.0 16.1 4.2 -25.7 86 110 A V E -dE 44 114A 30 -43,-2.8 -41,-3.3 -2,-0.3 2,-0.4 -0.928 47.4-161.0-103.6 115.6 14.6 3.1 -29.0 87 111 A Y E -dE 45 113A 10 26,-3.1 26,-3.0 -2,-0.6 2,-0.4 -0.843 10.7-140.6-101.1 130.2 10.8 3.4 -28.9 88 112 A Y E +dE 46 112A 25 -43,-2.9 -53,-2.9 -2,-0.4 -41,-2.3 -0.782 24.6 165.7-107.1 135.0 8.9 1.5 -31.5 89 113 A Y E -CE 34 111A 1 22,-2.4 22,-2.7 -2,-0.4 2,-0.4 -0.880 26.2-134.9-131.3 160.7 5.8 2.4 -33.5 90 114 A K E -CE 33 110A 55 -57,-2.5 -57,-2.0 -2,-0.3 2,-0.5 -0.977 14.6-159.6-116.8 137.2 3.9 1.2 -36.6 91 115 A V E +CE 32 109A 0 18,-2.3 18,-3.1 -2,-0.4 2,-0.3 -0.970 19.6 165.1-117.4 128.5 2.7 3.5 -39.3 92 116 A T E -CE 31 108A 32 -61,-2.2 -61,-2.5 -2,-0.5 2,-0.5 -0.896 36.0-117.5-133.3 162.6 -0.1 2.4 -41.6 93 117 A E E -C 30 0A 22 14,-0.6 2,-0.4 12,-0.4 -63,-0.3 -0.900 30.8-159.3 -99.0 133.2 -2.5 4.0 -44.1 94 118 A E E +C 29 0A 34 -65,-2.9 -65,-1.1 -2,-0.5 2,-0.3 -0.940 16.7 170.6-115.9 133.8 -6.3 3.6 -43.2 95 119 A K - 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