==== 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 CELL ADHESION 31-OCT-99 1DAB . COMPND 2 MOLECULE: P.69 PERTACTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PERTUSSIS; . AUTHOR P.EMSLEY,I.G.CHARLES,N.F.FAIRWEATHER,N.W.ISAACS . 539 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 259 48.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.2 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 . 1 0.2 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 . 58 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 9 7 11 8 1 1 2 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 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 D 0 0 116 0, 0.0 29,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -58.9 -61.0 104.7 58.0 2 2 A W + 0 0 57 27,-1.5 29,-0.4 3,-0.0 2,-0.4 -0.567 360.0 166.6-141.2 69.5 -58.2 107.2 58.7 3 3 A N - 0 0 75 27,-0.2 29,-0.2 1,-0.2 27,-0.1 -0.737 60.3 -11.3 -98.5 134.3 -57.5 108.5 55.2 4 4 A N S S+ 0 0 135 27,-3.3 2,-0.2 -2,-0.4 29,-0.2 0.817 98.7 136.9 51.1 39.9 -55.5 111.7 54.3 5 5 A Q - 0 0 89 -3,-0.3 29,-2.4 26,-0.1 2,-0.6 -0.718 53.8-132.1-115.6 160.1 -55.5 112.9 57.9 6 6 A S E -a 34 0A 97 -2,-0.2 2,-0.6 27,-0.2 29,-0.2 -0.966 19.3-167.9-114.0 113.2 -53.0 114.4 60.2 7 7 A I E +a 35 0A 21 27,-2.9 29,-3.0 -2,-0.6 2,-0.5 -0.896 10.7 173.4-106.1 117.8 -52.8 112.8 63.7 8 8 A V E +a 36 0A 101 -2,-0.6 2,-0.3 27,-0.2 29,-0.2 -0.983 3.5 176.1-123.9 116.6 -50.8 114.8 66.2 9 9 A K E +a 37 0A 64 27,-2.7 29,-0.8 -2,-0.5 30,-0.2 -0.923 15.8 169.8-121.8 150.6 -50.8 113.7 69.8 10 10 A T + 0 0 102 -2,-0.3 30,-0.2 27,-0.2 -1,-0.1 0.578 45.9 98.6-130.2 -22.1 -48.8 115.1 72.8 11 11 A G S > S- 0 0 22 28,-0.2 3,-0.9 1,-0.1 28,-0.3 -0.148 85.8 -77.3 -70.2 163.1 -50.2 113.5 76.0 12 12 A E T 3 S- 0 0 116 1,-0.3 29,-0.2 27,-0.2 -1,-0.1 -0.209 114.3 -5.2 -53.3 146.3 -48.7 110.6 78.0 13 13 A R T 3 S+ 0 0 107 27,-3.5 2,-0.5 1,-0.2 -1,-0.3 0.797 90.1 146.3 23.1 64.2 -49.5 107.3 76.2 14 14 A Q < - 0 0 82 -3,-0.9 25,-0.3 26,-0.1 24,-0.2 -0.877 35.1-158.5-124.9 83.9 -51.6 109.0 73.6 15 15 A H - 0 0 26 -2,-0.5 29,-0.2 1,-0.1 3,-0.2 -0.333 23.1-130.8 -71.8 155.4 -51.0 106.9 70.5 16 16 A G S S+ 0 0 7 27,-1.7 2,-0.4 1,-0.3 29,-0.2 0.996 98.5 2.0 -65.2 -61.7 -51.6 108.0 67.0 17 17 A I E S-b 45 0A 0 27,-2.3 29,-2.5 26,-0.1 2,-0.4 -0.998 74.1-175.7-126.5 127.7 -53.6 104.8 66.1 18 18 A H E -b 46 0A 50 -2,-0.4 2,-0.7 -3,-0.2 29,-0.2 -0.968 9.3-170.2-129.0 116.0 -54.3 102.2 68.8 19 19 A I E -b 47 0A 2 27,-2.9 29,-2.4 -2,-0.4 2,-0.2 -0.912 25.9-157.3-105.1 112.0 -56.1 98.9 68.0 20 20 A Q > - 0 0 87 -2,-0.7 3,-1.6 27,-0.2 29,-0.1 -0.485 30.1-112.8 -90.8 168.1 -56.8 97.3 71.4 21 21 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.1 -2,-0.2 28,-0.1 0.757 118.8 51.0 -63.3 -27.3 -57.5 93.9 72.7 22 22 A S T 3 S+ 0 0 102 2,-0.0 -1,-0.3 27,-0.0 27,-0.1 0.382 94.0 95.6 -93.8 0.2 -61.1 94.9 73.5 23 23 A D S < S- 0 0 56 -3,-1.6 -4,-0.0 1,-0.1 29,-0.0 -0.445 84.8 -94.3 -85.5 164.7 -61.7 96.2 70.0 24 24 A P - 0 0 91 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.320 38.2-113.9 -70.6 161.4 -63.3 94.3 67.2 25 25 A G + 0 0 39 27,-0.1 27,-0.3 2,-0.0 2,-0.1 -0.173 62.9 92.9 -82.3-176.6 -61.3 92.3 64.7 26 26 A G E S-c 52 0A 40 25,-2.3 27,-2.0 2,-0.0 2,-0.5 -0.299 76.0 -57.3 113.3 165.1 -61.2 93.2 61.0 27 27 A V E -c 53 0A 85 25,-0.2 2,-0.4 -2,-0.1 27,-0.2 -0.667 41.1-166.6 -87.3 124.1 -59.1 95.3 58.6 28 28 A R E -c 54 0A 28 25,-3.1 27,-3.0 -2,-0.5 2,-0.4 -0.858 10.9-153.5-105.8 144.2 -58.5 99.0 59.2 29 29 A T E -c 55 0A 48 -2,-0.4 -27,-1.5 25,-0.2 2,-0.4 -0.960 15.4-179.3-126.4 139.2 -57.1 101.1 56.4 30 30 A A E +c 56 0A 0 25,-3.0 27,-2.8 -2,-0.4 2,-0.4 -0.991 9.6 174.9-135.2 123.2 -55.1 104.4 56.5 31 31 A S E +c 57 0A 41 -2,-0.4 -27,-3.3 -29,-0.4 27,-0.2 -0.986 66.9 2.3-137.6 123.0 -54.0 106.0 53.3 32 32 A G S S+ 0 0 25 25,-2.3 2,-0.4 -2,-0.4 27,-0.2 0.781 94.5 141.9 75.6 27.5 -52.2 109.4 52.9 33 33 A T - 0 0 0 24,-0.5 27,-1.4 -29,-0.2 2,-0.4 -0.808 39.2-156.3-110.0 141.4 -52.1 109.8 56.6 34 34 A T E -ad 6 60A 51 -29,-2.4 -27,-2.9 -2,-0.4 2,-0.4 -0.946 7.9-162.4-116.1 134.2 -49.3 111.3 58.8 35 35 A I E +ad 7 61A 0 25,-2.6 27,-2.2 -2,-0.4 2,-0.4 -0.970 10.3 176.3-119.9 133.1 -48.9 110.4 62.5 36 36 A K E +ad 8 62A 86 -29,-3.0 -27,-2.7 -2,-0.4 2,-0.3 -0.962 5.7 169.7-140.2 116.7 -46.9 112.4 65.0 37 37 A V E +ad 9 63A 0 25,-2.2 27,-1.3 -2,-0.4 28,-0.2 -0.936 13.8 165.5-125.4 146.7 -46.7 111.5 68.7 38 38 A S + 0 0 53 -29,-0.8 -28,-0.2 -2,-0.3 28,-0.2 0.373 39.2 115.5-142.7 -0.4 -44.5 112.9 71.4 39 39 A G S > S- 0 0 5 -28,-0.3 3,-1.1 -25,-0.3 26,-0.3 -0.256 77.6 -87.1 -71.2 161.8 -46.0 111.9 74.7 40 40 A R T 3 S+ 0 0 111 1,-0.3 -27,-3.5 -30,-0.2 27,-0.2 -0.522 112.1 5.4 -70.3 129.6 -44.2 109.5 77.1 41 41 A Q T 3 S+ 0 0 10 25,-3.2 2,-0.5 -2,-0.3 -1,-0.3 0.862 98.9 135.5 62.1 39.7 -44.9 105.8 76.3 42 42 A A < - 0 0 0 -3,-1.1 23,-0.4 24,-0.2 -1,-0.2 -0.955 37.4-163.2-121.1 116.3 -46.9 106.8 73.2 43 43 A Q - 0 0 8 -2,-0.5 -27,-1.7 1,-0.1 3,-0.2 -0.534 26.4-130.2 -94.3 163.5 -46.4 105.0 69.9 44 44 A G S S+ 0 0 0 34,-2.4 -27,-2.3 1,-0.3 2,-0.4 0.897 101.3 16.4 -71.8 -43.3 -47.5 106.3 66.5 45 45 A I E -be 17 79A 1 33,-2.0 35,-3.0 -29,-0.2 2,-0.4 -0.997 68.2-177.5-133.2 128.7 -49.2 102.9 65.9 46 46 A L E -be 18 80A 8 -29,-2.5 -27,-2.9 -2,-0.4 2,-0.6 -0.938 2.9-174.5-131.9 109.3 -50.0 100.3 68.6 47 47 A L E +be 19 81A 0 33,-2.4 35,-3.1 -2,-0.4 36,-1.1 -0.922 17.8 154.6-105.9 117.9 -51.6 97.0 67.5 48 48 A E E + e 0 83A 62 -29,-2.4 36,-0.2 -2,-0.6 -1,-0.1 -0.284 44.1 90.4-138.2 44.7 -52.6 94.6 70.3 49 49 A N E > - 0 0 11 34,-2.0 3,-1.7 3,-0.1 36,-0.2 -0.913 58.4-151.1-146.6 118.8 -55.4 92.5 68.8 50 50 A P E 3 S+ 0 0 66 0, 0.0 34,-0.2 0, 0.0 -1,-0.1 0.799 98.9 48.3 -61.4 -29.4 -54.8 89.1 67.1 51 51 A A E 3 S+ 0 0 68 33,-0.1 -25,-2.3 32,-0.1 2,-0.3 0.481 97.5 94.1 -90.0 -1.0 -57.9 89.4 64.9 52 52 A A E < -c 26 0A 3 -3,-1.7 33,-2.5 -27,-0.3 2,-0.3 -0.663 49.4-174.0-100.1 152.0 -57.0 93.0 63.8 53 53 A E E -ce 27 85A 41 -27,-2.0 -25,-3.1 -2,-0.3 2,-0.4 -0.992 7.2-159.5-136.4 146.2 -55.1 94.2 60.8 54 54 A L E -ce 28 86A 0 31,-2.4 33,-3.0 -2,-0.3 2,-0.7 -0.994 4.7-158.2-130.9 124.7 -54.0 97.7 59.8 55 55 A Q E -ce 29 87A 51 -27,-3.0 -25,-3.0 -2,-0.4 2,-0.6 -0.895 13.5-176.3-102.0 110.4 -53.1 98.8 56.3 56 56 A F E +ce 30 88A 2 31,-3.5 33,-2.4 -2,-0.7 2,-0.4 -0.919 13.9 170.7-112.7 105.6 -50.9 101.9 56.5 57 57 A R E -ce 31 89A 55 -27,-2.8 -25,-2.3 -2,-0.6 -24,-0.5 -0.931 52.9 -4.6-123.5 137.1 -50.1 103.2 53.0 58 58 A N S S+ 0 0 90 31,-2.9 2,-0.2 -2,-0.4 33,-0.2 0.876 104.7 101.0 55.6 40.6 -48.5 106.3 51.5 59 59 A G - 0 0 10 30,-0.4 33,-1.9 -27,-0.2 2,-0.3 -0.726 63.7-118.9-138.2-170.8 -48.1 107.9 54.9 60 60 A S E -df 34 92A 25 -27,-1.4 -25,-2.6 31,-0.2 2,-0.4 -0.969 12.7-163.8-138.5 149.8 -45.6 108.7 57.7 61 61 A V E +df 35 93A 0 31,-2.3 33,-2.5 -2,-0.3 2,-0.4 -0.997 15.2 169.5-136.0 126.0 -45.3 107.8 61.3 62 62 A T E -df 36 94A 25 -27,-2.2 -25,-2.2 -2,-0.4 2,-0.3 -0.998 7.3-179.7-141.6 143.9 -43.0 109.5 63.8 63 63 A S E +df 37 95A 0 31,-1.5 33,-2.9 -2,-0.4 34,-0.6 -0.993 12.8 178.4-137.7 151.2 -42.6 109.5 67.6 64 64 A S + 0 0 45 -27,-1.3 34,-0.6 -2,-0.3 -26,-0.2 0.459 50.7 99.2-135.7 2.7 -40.3 111.2 70.0 65 65 A G S S- 0 0 8 -23,-0.4 2,-0.5 -26,-0.3 -25,-0.2 -0.245 86.9 -84.2 -85.0 173.1 -41.3 110.2 73.5 66 66 A Q - 0 0 36 -28,-0.2 -25,-3.2 1,-0.1 2,-0.3 -0.681 37.5-158.2 -77.1 122.9 -39.7 107.5 75.7 67 67 A L + 0 0 0 -2,-0.5 9,-3.1 9,-0.2 2,-0.1 -0.314 31.0 157.3-101.1 45.1 -41.3 104.2 74.5 68 68 A S B -W 75 0B 9 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.437 39.1-123.1 -71.7 144.0 -40.5 102.3 77.7 69 69 A D - 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