==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 20-DEC-12 3ZH6 . COMPND 2 MOLECULE: PROTEIN E; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR B.SINGH,T.AL-JUBAIR,K.RIESBECK,M.M.G.M.THUNNISSEN . 261 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 36.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0.4 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 . 34 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 2 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 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 0 4 2 0 2 0 0 2 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 . 0 0 0 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 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 26 A N 0 0 201 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.4 13.4 13.2 34.2 2 27 A D - 0 0 77 50,-0.1 50,-0.2 0, 0.0 0, 0.0 -0.979 360.0-179.2 -95.0 -2.7 14.9 11.9 36.2 3 28 A X - 0 0 76 48,-0.1 49,-2.1 1,-0.1 2,-0.1 0.943 21.7-171.1 41.5 65.3 18.3 13.6 35.4 4 29 A K B -A 51 0A 147 47,-0.2 2,-0.4 -3,-0.0 47,-0.3 -0.412 7.0-149.9 -76.4 157.2 20.2 11.8 38.1 5 30 A L - 0 0 29 45,-3.6 -1,-0.0 -2,-0.1 59,-0.0 -0.974 14.0-140.9-128.4 143.8 23.8 12.8 38.9 6 31 A A - 0 0 92 -2,-0.4 44,-0.1 45,-0.0 3,-0.1 -0.921 32.7-141.3 -98.6 106.6 26.8 10.8 40.2 7 32 A P - 0 0 25 0, 0.0 2,-0.1 0, 0.0 43,-0.0 -0.366 28.3 -91.0 -70.3 147.9 28.4 13.3 42.6 8 33 A P - 0 0 32 0, 0.0 40,-0.1 0, 0.0 4,-0.1 -0.346 30.6-168.3 -63.1 131.8 32.2 13.4 42.7 9 34 A T S S+ 0 0 108 -3,-0.1 2,-0.6 2,-0.1 14,-0.0 0.510 70.1 86.6 -95.6 -9.6 33.8 11.1 45.3 10 35 A D S S- 0 0 130 1,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.834 83.7-132.1 -85.9 122.9 37.2 12.8 44.8 11 36 A V - 0 0 57 -2,-0.6 2,-0.1 1,-0.0 3,-0.1 -0.662 13.5-129.9 -82.6 124.5 37.3 15.8 47.1 12 37 A R > - 0 0 100 -2,-0.5 3,-1.5 1,-0.1 -1,-0.0 -0.427 40.1 -90.4 -65.5 146.8 38.5 19.0 45.5 13 38 A S T 3 S+ 0 0 115 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.243 111.6 30.6 -59.6 147.9 41.2 20.8 47.5 14 39 A G T 3 S+ 0 0 30 1,-0.2 14,-3.0 -3,-0.1 2,-0.5 0.246 94.6 113.1 88.1 -12.0 40.1 23.3 50.1 15 40 A Y E < -B 27 0B 29 -3,-1.5 2,-0.7 12,-0.2 12,-0.2 -0.835 55.5-151.0-102.9 125.9 36.8 21.4 50.7 16 41 A I E -B 26 0B 49 10,-2.7 10,-1.9 -2,-0.5 2,-0.2 -0.816 16.1-140.1 -99.6 114.0 36.2 19.6 54.0 17 42 A R E -B 25 0B 91 -2,-0.7 2,-0.3 8,-0.2 8,-0.2 -0.431 9.1-131.8 -74.8 140.2 34.0 16.6 53.9 18 43 A X - 0 0 3 6,-2.0 6,-0.2 3,-0.7 96,-0.1 -0.622 7.4-137.4 -85.7 146.5 31.3 15.7 56.4 19 44 A V S S+ 0 0 123 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 0.975 102.1 41.6 -64.6 -55.0 31.0 12.3 58.0 20 45 A K S S+ 0 0 103 1,-0.2 2,-0.6 93,-0.1 -1,-0.1 0.879 124.8 34.4 -66.7 -42.8 27.1 12.1 57.8 21 46 A N > - 0 0 62 3,-0.1 3,-1.1 1,-0.1 -3,-0.7 -0.954 64.6-169.3-116.2 112.8 26.8 13.6 54.4 22 47 A V T 3 S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.1 0.505 91.4 52.7 -77.8 -7.9 29.7 12.6 52.1 23 48 A N T 3 S+ 0 0 30 -6,-0.1 25,-1.7 24,-0.0 2,-0.5 0.316 90.5 91.1-101.5 1.8 28.4 15.3 49.6 24 49 A Y E < + C 0 47B 18 -3,-1.1 -6,-2.0 23,-0.2 2,-0.3 -0.898 56.1 172.8-102.6 122.7 28.3 18.1 52.2 25 50 A Y E -BC 17 46B 0 21,-2.5 21,-3.1 -2,-0.5 2,-0.5 -0.930 32.5-132.5-131.2 150.5 31.5 20.2 52.4 26 51 A I E -BC 16 45B 0 -10,-1.9 -10,-2.7 -2,-0.3 2,-0.7 -0.905 28.6-129.6 -93.2 129.1 32.8 23.3 54.1 27 52 A D E -BC 15 44B 17 17,-2.9 17,-0.5 -2,-0.5 3,-0.4 -0.714 19.4-161.1 -80.5 116.8 34.6 25.6 51.7 28 53 A S E > S+ 0 0 38 -14,-3.0 3,-1.4 -2,-0.7 -1,-0.2 0.890 84.2 54.3 -74.7 -41.9 37.9 26.2 53.5 29 54 A E E 3 S+ 0 0 174 1,-0.2 -1,-0.2 -15,-0.2 -14,-0.1 0.789 103.6 60.0 -55.6 -30.2 39.0 29.4 51.7 30 55 A S E 3 S+ 0 0 29 -3,-0.4 -1,-0.2 14,-0.1 2,-0.2 0.539 74.9 116.7 -82.2 -8.6 35.7 31.0 52.5 31 56 A I E < + 0 0 26 -3,-1.4 2,-0.4 -4,-0.3 12,-0.2 -0.447 38.9 178.6 -67.0 128.9 36.0 30.8 56.3 32 57 A W E - C 0 42B 47 10,-2.5 10,-2.6 -2,-0.2 2,-0.3 -0.961 17.7-147.8-133.0 117.4 36.1 34.3 57.9 33 58 A V E - C 0 41B 49 -2,-0.4 8,-0.2 8,-0.2 2,-0.2 -0.665 30.5-107.5 -86.0 135.0 36.4 34.7 61.7 34 59 A D - 0 0 7 6,-3.3 6,-0.2 3,-0.3 -1,-0.1 -0.397 19.0-149.9 -67.1 130.9 34.6 37.8 63.2 35 60 A N S S+ 0 0 90 1,-0.2 -1,-0.1 -2,-0.2 202,-0.0 0.828 94.5 43.0 -68.1 -33.3 37.0 40.6 64.3 36 61 A Q S S+ 0 0 80 1,-0.3 -1,-0.2 2,-0.0 -2,-0.0 0.900 128.8 23.0 -81.9 -47.1 34.8 41.9 67.1 37 62 A E S > S- 0 0 76 3,-0.1 3,-2.1 1,-0.1 -3,-0.3 -0.927 70.1-160.4-120.0 107.3 33.6 38.6 68.5 38 63 A P T 3 S+ 0 0 69 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 0.728 85.0 68.6 -64.3 -19.8 36.1 35.8 67.7 39 64 A Q T 3 S+ 0 0 46 -6,-0.1 35,-3.0 34,-0.1 2,-0.6 0.493 82.3 86.9 -75.0 -4.7 33.5 33.0 68.4 40 65 A I E < - D 0 73B 42 -3,-2.1 -6,-3.3 33,-0.2 2,-0.4 -0.884 58.7-179.3-103.1 126.2 31.5 34.0 65.3 41 66 A V E -CD 33 72B 0 31,-3.0 31,-3.5 -2,-0.6 2,-0.4 -0.990 14.7-155.0-130.4 128.6 32.6 32.4 62.1 42 67 A H E +CD 32 71B 5 -10,-2.6 -10,-2.5 -2,-0.4 2,-0.3 -0.844 26.8 155.0-101.2 138.5 31.2 32.8 58.6 43 68 A F E - D 0 70B 4 27,-2.4 27,-2.9 -2,-0.4 2,-0.5 -0.992 39.1-115.0-157.6 159.0 31.7 30.0 56.0 44 69 A D E -CD 27 69B 27 -17,-0.5 -17,-2.9 -2,-0.3 2,-0.4 -0.862 20.8-155.5 -96.2 132.0 30.2 28.6 52.8 45 70 A A E -CD 26 68B 1 23,-2.8 23,-3.2 -2,-0.5 2,-0.4 -0.848 12.3-159.6 -97.0 143.3 28.8 25.1 52.8 46 71 A V E -CD 25 67B 0 -21,-3.1 -21,-2.5 -2,-0.4 2,-0.5 -0.993 6.2-167.6-126.1 129.9 28.8 23.4 49.4 47 72 A V E -CD 24 66B 28 19,-2.4 19,-2.2 -2,-0.4 2,-0.5 -0.953 10.9-155.2-122.2 116.0 26.6 20.4 48.4 48 73 A N E - D 0 65B 1 -25,-1.7 17,-0.2 -2,-0.5 2,-0.1 -0.767 33.4-138.8 -79.7 129.6 27.1 18.4 45.3 49 74 A X E - 0 0 24 15,-2.3 3,-0.1 -2,-0.5 -1,-0.0 -0.351 20.7-136.6 -99.5 171.7 23.7 16.9 44.6 50 75 A D E S+ 0 0 101 1,-0.2 -45,-3.6 -2,-0.1 2,-0.4 0.702 91.2 32.7 -86.1 -30.4 22.1 13.7 43.4 51 76 A R E S-A 4 0A 136 -47,-0.3 -1,-0.2 12,-0.0 -47,-0.2 -0.997 87.6-106.4-140.0 132.6 19.7 15.2 41.0 52 77 A G E - 0 0 9 -49,-2.1 2,-0.6 -2,-0.4 12,-0.2 -0.371 29.3-147.1 -58.6 129.2 19.8 18.2 38.7 53 78 A L E - D 0 63B 69 10,-1.4 10,-2.8 -2,-0.1 2,-1.6 -0.897 4.8-146.4 -97.8 121.5 17.6 21.1 40.0 54 79 A Y + 0 0 107 -2,-0.6 8,-0.2 8,-0.2 -2,-0.0 -0.676 48.0 138.7 -92.4 91.6 16.2 23.1 37.1 55 80 A V + 0 0 63 -2,-1.6 -1,-0.2 6,-0.1 7,-0.1 0.266 38.9 105.4-108.1 -0.7 16.2 26.5 38.8 56 81 A Y S S- 0 0 22 5,-0.8 41,-0.1 2,-0.3 5,-0.1 -0.447 78.8-119.4 -89.7 157.6 17.4 28.5 35.8 57 82 A P S S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 40,-0.0 0.944 109.4 58.8 -54.1 -46.4 15.6 30.9 33.5 58 83 A E S > S- 0 0 64 1,-0.1 3,-1.8 2,-0.0 2,-0.3 -0.721 83.9-148.6 -83.7 115.2 16.5 28.5 30.6 59 84 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.110 87.8 71.9 -88.4 41.7 15.0 25.2 31.5 60 85 A K T 3 S+ 0 0 154 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 0.408 87.7 87.3-102.8 -5.1 17.7 23.0 29.8 61 86 A R < - 0 0 72 -3,-1.8 -5,-0.8 -5,-0.1 2,-0.4 -0.786 56.2-179.4-107.2 128.9 19.9 24.1 32.6 62 87 A Y - 0 0 55 -2,-0.4 2,-0.3 -8,-0.2 -8,-0.2 -0.963 27.8-116.8-127.5 143.2 20.2 22.3 36.0 63 88 A A E -D 53 0B 0 -10,-2.8 -10,-1.4 -2,-0.4 25,-0.3 -0.574 16.1-168.8 -73.2 135.6 22.3 23.0 39.1 64 89 A R E S+ 0 0 91 23,-2.4 -15,-2.3 -2,-0.3 2,-0.3 0.499 71.4 11.9 -95.4 -12.0 24.8 20.3 40.1 65 90 A S E -DE 48 87B 0 22,-1.6 22,-2.3 -17,-0.2 2,-0.4 -0.991 63.1-129.7-160.4 164.3 25.5 21.9 43.5 66 91 A V E -DE 47 86B 16 -19,-2.2 -19,-2.4 -2,-0.3 2,-0.5 -0.934 10.3-159.5-120.1 143.3 24.4 24.4 46.1 67 92 A R E -DE 46 85B 27 18,-2.4 18,-2.2 -2,-0.4 2,-0.5 -0.988 15.5-171.1-121.4 120.6 26.6 27.0 47.9 68 93 A Q E -DE 45 84B 45 -23,-3.2 -23,-2.8 -2,-0.5 2,-0.5 -0.947 19.6-137.5-119.8 128.1 25.2 28.3 51.1 69 94 A Y E -DE 44 83B 29 14,-0.8 13,-2.9 -2,-0.5 14,-1.1 -0.711 31.0-175.8 -82.7 125.9 26.4 31.2 53.2 70 95 A K E -DE 43 81B 10 -27,-2.9 -27,-2.4 -2,-0.5 2,-0.4 -0.890 19.1-157.9-123.0 149.2 26.4 30.2 56.9 71 96 A I E -DE 42 80B 15 9,-2.0 9,-3.2 -2,-0.3 2,-0.5 -0.996 15.4-166.0-128.7 124.4 27.2 32.1 60.1 72 97 A L E -DE 41 79B 0 -31,-3.5 -31,-3.0 -2,-0.4 2,-0.8 -0.941 15.5-156.9-118.9 132.4 28.1 30.1 63.1 73 98 A N E >> -DE 40 78B 39 5,-2.5 4,-2.0 -2,-0.5 5,-0.9 -0.897 7.9-164.4-102.9 106.4 28.3 31.3 66.7 74 99 A a T 45S+ 0 0 10 -35,-3.0 -1,-0.1 -2,-0.8 -34,-0.1 0.567 81.4 65.7 -69.4 -13.3 30.6 28.8 68.4 75 100 A A T 45S+ 0 0 74 -36,-0.3 -1,-0.2 1,-0.1 -35,-0.1 0.975 123.9 9.2 -71.4 -55.7 29.5 29.9 71.9 76 101 A N T 45S- 0 0 68 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.406 97.5-119.4-101.9 -1.8 25.9 28.7 71.6 77 102 A Y T <5 + 0 0 50 -4,-2.0 32,-2.6 1,-0.2 2,-0.4 0.834 54.3 160.4 59.0 34.2 26.1 26.7 68.3 78 103 A H E < -EF 73 108B 43 -5,-0.9 -5,-2.5 30,-0.2 2,-0.5 -0.748 23.4-159.4 -79.7 134.7 23.4 28.9 66.7 79 104 A L E -EF 72 107B 3 28,-2.7 28,-2.3 -2,-0.4 2,-0.6 -0.970 3.0-157.8-122.3 119.9 23.7 28.5 62.9 80 105 A T E -EF 71 106B 16 -9,-3.2 -9,-2.0 -2,-0.5 2,-0.6 -0.846 8.4-149.4-102.3 126.2 22.3 31.1 60.6 81 106 A Q E +EF 70 105B 5 24,-2.7 24,-1.0 -2,-0.6 -11,-0.2 -0.840 27.0 169.1 -85.2 118.3 21.5 30.3 57.0 82 107 A V E - 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0 0 39 -2,-0.4 -13,-0.2 -13,-0.2 4,-0.1 -0.925 30.3 -95.3-121.7 150.0 19.6 32.1 43.2 99 124 A P - 0 0 46 0, 0.0 3,-0.1 0, 0.0 -15,-0.1 -0.085 39.0-108.0 -55.5 159.4 16.1 31.7 44.5 100 125 A K S S+ 0 0 224 1,-0.2 2,-0.3 2,-0.0 -2,-0.0 0.953 105.2 9.2 -57.8 -55.3 13.6 34.5 44.0 101 126 A K S S- 0 0 149 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.955 86.1-117.0-121.3 150.6 13.7 35.4 47.7 102 127 A Q - 0 0 34 -2,-0.3 2,-0.6 -3,-0.1 -19,-0.0 -0.731 18.3-144.0 -85.2 125.6 16.2 34.0 50.2 103 128 A K - 0 0 156 -2,-0.5 2,-0.4 2,-0.0 -1,-0.0 -0.811 24.8-170.6 -86.9 126.5 14.7 32.0 53.1 104 129 A K + 0 0 41 -2,-0.6 2,-0.3 2,-0.0 -22,-0.2 -0.921 13.8 153.3-120.8 143.6 16.8 32.8 56.2 105 130 A H E -F 81 0B 62 -24,-1.0 -24,-2.7 -2,-0.4 2,-0.4 -0.978 33.0-132.9-161.7 158.3 16.7 31.2 59.6 106 131 A T E -F 80 0B 6 -2,-0.3 2,-0.3 -26,-0.2 -26,-0.2 -0.972 22.9-165.9-119.5 131.4 18.8 30.5 62.7 107 132 A L E -F 79 0B 63 -28,-2.3 -28,-2.7 -2,-0.4 2,-0.7 -0.816 22.8-131.9-109.3 153.0 18.9 27.0 64.2 108 133 A S E -F 78 0B 64 -2,-0.3 -30,-0.2 -30,-0.2 2,-0.1 -0.950 38.8-129.3 -99.8 112.7 20.2 25.9 67.6 109 134 A L - 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