==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 05-MAR-02 1L4I . COMPND 2 MOLECULE: SFAE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.D.KNIGHT,D.CHOUDHURY,S.HULTGREN,J.PINKNER,V.STOJANOFF, . 378 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19325.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 38.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 46 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 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 0 0 PARALLEL BRIDGES PER LADDER . 4 3 8 4 3 0 1 1 4 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 2 1 2 0 0 0 1 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 G 0 0 44 0, 0.0 24,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-173.6 3.2 36.2 4.4 2 2 A V E -A 24 0A 21 22,-0.2 2,-0.4 23,-0.1 22,-0.2 -0.805 360.0-175.8 -98.6 135.8 2.0 35.4 7.9 3 3 A A E -A 23 0A 3 20,-2.9 20,-3.0 -2,-0.4 2,-0.2 -0.983 19.0-134.5-132.1 140.3 3.2 37.6 10.7 4 4 A L E -A 22 0A 6 370,-0.5 372,-2.5 -2,-0.4 18,-0.2 -0.580 18.4-129.3 -87.1 151.2 2.7 37.3 14.5 5 5 A G S S+ 0 0 35 16,-2.4 2,-0.3 -2,-0.2 17,-0.1 0.460 87.0 24.5 -76.6 -3.5 1.8 40.4 16.6 6 6 A A - 0 0 33 15,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.972 58.3-140.9-156.1 165.4 4.6 39.8 19.1 7 7 A T S S+ 0 0 29 -2,-0.3 98,-1.0 1,-0.3 2,-0.3 0.427 91.5 16.4-106.7 -7.5 8.0 38.1 19.6 8 8 A R E -d 105 0B 19 96,-0.2 2,-0.4 172,-0.1 -1,-0.3 -0.981 64.1-145.6-160.9 152.4 7.3 36.9 23.2 9 9 A V E -d 106 0B 10 96,-2.5 98,-2.8 -2,-0.3 2,-0.5 -0.998 8.7-152.8-125.6 124.1 4.3 36.4 25.4 10 10 A I E -d 107 0B 37 -2,-0.4 98,-0.2 96,-0.2 96,-0.0 -0.865 8.2-162.6 -92.0 123.8 4.5 37.0 29.2 11 11 A Y E -d 108 0B 0 96,-2.8 98,-3.0 -2,-0.5 2,-0.3 -0.924 10.5-152.1-108.9 95.9 1.9 34.8 31.0 12 12 A P E > -d 109 0B 49 0, 0.0 3,-2.2 0, 0.0 96,-0.1 -0.560 31.2 -98.9 -65.8 126.1 1.4 36.3 34.6 13 13 A E T 3 S+ 0 0 46 96,-3.0 3,-0.1 -2,-0.3 64,-0.0 -0.176 109.7 26.7 -42.8 138.9 0.3 33.7 37.2 14 14 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.2 -3,-0.1 2,-0.1 0.191 84.3 128.1 91.6 -22.9 -3.4 33.9 37.7 15 15 A Q < - 0 0 103 -3,-2.2 -1,-0.3 1,-0.1 54,-0.3 -0.477 54.3-144.3 -66.5 139.1 -4.4 35.3 34.3 16 16 A K S S- 0 0 184 1,-0.3 53,-0.6 -2,-0.1 2,-0.3 0.859 72.6 -14.8 -79.2 -26.7 -7.1 33.2 32.7 17 17 A Q E - B 0 68A 82 51,-0.2 2,-0.3 -3,-0.0 -1,-0.3 -0.981 52.8-146.7-165.2 160.3 -5.8 33.6 29.1 18 18 A V E - B 0 67A 28 49,-1.8 49,-3.1 -2,-0.3 2,-0.3 -0.911 20.7-139.2-128.9 149.1 -3.5 35.6 26.9 19 19 A Q E - B 0 66A 143 -2,-0.3 2,-0.4 47,-0.2 47,-0.2 -0.870 9.1-162.6-113.4 149.4 -4.1 36.4 23.2 20 20 A L E - B 0 65A 3 45,-2.3 45,-3.3 -2,-0.3 2,-0.2 -0.977 18.4-133.5-132.4 122.7 -1.6 36.4 20.3 21 21 A A E - B 0 64A 33 -2,-0.4 -16,-2.4 43,-0.2 2,-0.4 -0.546 20.5-172.3 -77.5 130.7 -2.4 38.2 17.0 22 22 A V E -AB 4 63A 0 41,-2.7 41,-3.2 -2,-0.2 2,-0.4 -0.997 9.8-174.3-121.5 125.8 -1.7 36.2 13.8 23 23 A T E -AB 3 62A 6 -20,-3.0 -20,-2.9 -2,-0.4 2,-0.7 -0.969 26.8-153.4-133.2 141.2 -2.0 38.1 10.5 24 24 A N E -AB 2 61A 3 37,-2.6 37,-1.2 -2,-0.4 -22,-0.2 -0.905 16.1-175.8 -96.2 114.3 -1.9 37.2 6.8 25 25 A N + 0 0 13 -24,-2.1 2,-0.5 -2,-0.7 311,-0.3 0.472 57.0 81.2 -88.0 -11.7 -0.8 40.5 5.1 26 26 A D > - 0 0 49 -25,-0.3 3,-1.1 33,-0.2 33,-0.2 -0.899 56.8-162.3-105.9 123.1 -1.1 39.3 1.4 27 27 A D T 3 S+ 0 0 105 -2,-0.5 -1,-0.1 1,-0.2 33,-0.1 0.730 90.7 59.9 -73.3 -15.4 -4.4 39.2 -0.4 28 28 A K T 3 S+ 0 0 79 31,-0.1 2,-0.4 30,-0.1 -1,-0.2 0.436 96.6 73.3 -92.2 -2.1 -2.9 36.8 -3.0 29 29 A S < - 0 0 36 -3,-1.1 30,-1.5 -28,-0.1 2,-0.3 -0.887 56.0-161.2-120.9 152.6 -2.0 34.0 -0.6 30 30 A S E -E 58 0B 42 -2,-0.4 62,-2.4 62,-0.3 2,-0.3 -0.883 14.9-176.9-127.8 149.9 -3.8 31.3 1.3 31 31 A Y E -EF 57 91B 28 26,-3.1 26,-2.8 -2,-0.3 2,-0.4 -0.996 29.6-138.3-142.8 154.8 -2.6 29.3 4.3 32 32 A L E -EF 56 90B 78 58,-2.5 58,-3.7 -2,-0.3 2,-0.5 -0.937 29.0-153.7-104.0 136.6 -3.3 26.6 6.8 33 33 A I E -EF 55 89B 0 22,-3.4 22,-2.1 -2,-0.4 2,-0.5 -0.954 13.4-177.8-116.1 117.0 -2.1 27.7 10.3 34 34 A Q E -EF 54 88B 66 54,-2.7 54,-2.9 -2,-0.5 2,-0.3 -0.971 6.7-175.5-118.2 129.1 -1.1 24.9 12.8 35 35 A S E + F 0 87B 6 18,-2.2 2,-0.3 -2,-0.5 52,-0.2 -0.947 9.7 159.5-130.4 148.1 -0.0 25.8 16.3 36 36 A W E - F 0 86B 73 50,-1.8 50,-3.3 -2,-0.3 2,-0.4 -0.967 30.7-118.6-155.9 164.2 1.3 23.9 19.3 37 37 A I E - F 0 85B 7 -2,-0.3 8,-2.4 8,-0.3 2,-0.3 -0.868 22.5-171.1-111.0 140.3 3.2 24.4 22.5 38 38 A E E -GF 44 84B 31 46,-2.7 46,-3.0 -2,-0.4 6,-0.2 -0.897 20.3-123.5-119.9 158.8 6.5 22.9 23.5 39 39 A N E > - F 0 83B 28 4,-2.2 3,-2.1 -2,-0.3 44,-0.2 -0.316 46.8 -84.5 -85.9-176.6 8.4 22.9 26.8 40 40 A A T 3 S+ 0 0 41 42,-0.7 43,-0.1 1,-0.3 -1,-0.1 0.714 129.2 58.8 -61.7 -25.2 11.9 24.2 27.2 41 41 A E T 3 S- 0 0 172 2,-0.1 -1,-0.3 1,-0.0 42,-0.0 0.457 118.6-110.0 -86.8 -1.3 13.3 20.8 26.1 42 42 A G S < S+ 0 0 33 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.664 74.8 129.7 83.8 23.0 11.4 21.1 22.8 43 43 A K - 0 0 53 1,-0.1 -4,-2.2 0, 0.0 -1,-0.3 -0.840 69.7 -96.0-110.2 141.1 8.8 18.4 23.4 44 44 A K B -G 38 0B 81 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.3 -0.219 50.1-169.5 -51.8 137.9 5.1 18.9 22.9 45 45 A D - 0 0 22 -8,-2.4 3,-0.4 3,-0.1 -8,-0.3 -0.998 27.4-155.4-139.4 143.4 3.6 19.8 26.3 46 46 A A S S+ 0 0 83 -2,-0.4 -1,-0.1 1,-0.2 -8,-0.1 0.220 70.7 98.8-100.5 13.7 -0.0 20.2 27.5 47 47 A R S S+ 0 0 102 1,-0.1 23,-2.9 24,-0.1 2,-0.4 0.710 93.4 37.4 -70.1 -16.8 0.5 22.5 30.5 48 48 A F E S-C 69 0A 3 -3,-0.4 2,-0.4 21,-0.2 -11,-0.2 -0.991 78.3-152.2-128.8 139.9 -0.6 25.4 28.1 49 49 A V E -C 68 0A 63 19,-2.4 19,-2.8 -2,-0.4 2,-0.5 -0.922 5.1-162.5-111.9 136.2 -3.4 25.0 25.5 50 50 A I E -C 67 0A 14 -2,-0.4 17,-0.2 17,-0.2 -15,-0.1 -0.981 23.1-127.1-117.0 134.5 -3.4 27.1 22.2 51 51 A T E S+C 66 0A 44 15,-2.2 15,-2.6 -2,-0.5 -15,-0.0 -0.986 82.4 25.7-144.3 148.9 -6.7 27.4 20.3 52 52 A P S S- 0 0 50 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.574 70.5-170.3 -69.9 144.2 -7.7 27.1 17.7 53 53 A P S S+ 0 0 76 0, 0.0 -18,-2.2 0, 0.0 2,-0.3 0.642 75.6 26.3 -73.7 -16.9 -4.9 24.6 17.0 54 54 A L E S+E 34 0B 96 -20,-0.2 2,-0.3 2,-0.0 -20,-0.2 -0.919 73.3 143.3-148.6 123.1 -5.6 24.4 13.3 55 55 A F E -E 33 0B 27 -22,-2.1 -22,-3.4 -2,-0.3 2,-0.3 -0.957 35.7-121.2-152.9 170.3 -7.3 27.0 11.1 56 56 A S E -E 32 0B 54 -2,-0.3 2,-0.4 -24,-0.2 -24,-0.2 -0.812 10.5-158.4-118.8 150.2 -7.1 28.4 7.6 57 57 A M E -E 31 0B 0 -26,-2.8 -26,-3.1 -2,-0.3 2,-0.6 -0.973 7.1-173.2-127.5 120.1 -6.5 32.0 6.3 58 58 A Q E -E 30 0B 147 -2,-0.4 -28,-0.2 -28,-0.2 -31,-0.1 -0.960 61.5 -30.9-115.3 103.4 -7.7 32.9 2.8 59 59 A G S S- 0 0 8 -30,-1.5 2,-0.4 -2,-0.6 -32,-0.2 -0.293 118.8 -4.4 78.5-167.7 -6.6 36.4 1.7 60 60 A K S S+ 0 0 89 -35,-0.1 2,-0.3 -33,-0.1 -35,-0.2 -0.456 82.5 152.8 -64.0 109.8 -6.0 39.3 4.1 61 61 A K E -B 24 0A 75 -37,-1.2 -37,-2.6 -2,-0.4 2,-0.4 -0.993 36.1-154.5-144.8 152.7 -7.0 38.2 7.5 62 62 A E E +B 23 0A 117 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.2 -0.997 23.1 176.3-124.0 124.1 -6.3 38.9 11.2 63 63 A N E -B 22 0A 45 -41,-3.2 -41,-2.7 -2,-0.4 2,-0.4 -0.862 21.3-136.2-122.7 170.9 -6.9 36.1 13.7 64 64 A T E -B 21 0A 65 -2,-0.3 2,-0.4 -43,-0.2 -43,-0.2 -0.996 9.6-153.2-126.1 130.4 -6.3 35.8 17.5 65 65 A L E -B 20 0A 0 -45,-3.3 -45,-2.3 -2,-0.4 2,-0.5 -0.820 12.4-144.1 -99.3 142.7 -4.9 32.8 19.1 66 66 A R E -BC 19 51A 108 -15,-2.6 -15,-2.2 -2,-0.4 2,-0.5 -0.906 7.7-159.1-104.8 130.6 -5.9 32.1 22.8 67 67 A I E -BC 18 50A 0 -49,-3.1 -49,-1.8 -2,-0.5 2,-0.5 -0.952 13.3-163.8-110.6 124.8 -3.2 30.6 25.1 68 68 A I E -BC 17 49A 47 -19,-2.8 -19,-2.4 -2,-0.5 2,-0.3 -0.928 20.2-123.8-119.6 129.8 -4.7 29.0 28.2 69 69 A D E + C 0 48A 45 -53,-0.6 -21,-0.2 -2,-0.5 3,-0.1 -0.468 36.4 160.7 -63.5 123.0 -3.0 28.0 31.4 70 70 A A + 0 0 39 -23,-2.9 -22,-0.1 -2,-0.3 -1,-0.1 -0.254 35.9 121.3-129.6 32.1 -3.6 24.3 32.1 71 71 A T > - 0 0 6 2,-0.0 3,-1.8 4,-0.0 -23,-0.1 0.668 66.0-142.9 -72.2 -21.8 -0.7 24.1 34.5 72 72 A N T 3 - 0 0 146 1,-0.3 -2,-0.0 -25,-0.1 -25,-0.0 0.829 63.3 -66.2 67.0 20.4 -3.1 22.9 37.3 73 73 A G T 3 S+ 0 0 65 1,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.496 109.3 119.4 75.6 13.6 -1.0 25.0 39.8 74 74 A Q < + 0 0 165 -3,-1.8 -2,-0.1 2,-0.0 3,-0.1 0.533 36.2 113.6 -95.6 4.7 2.2 22.9 39.4 75 75 A M S S- 0 0 20 1,-0.1 6,-0.0 2,-0.1 -4,-0.0 -0.315 78.8 -98.1 -65.2 145.4 4.6 25.5 38.1 76 76 A P - 0 0 56 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.182 29.3-153.1 -55.1 142.7 7.5 26.5 40.2 77 77 A E S S+ 0 0 127 1,-0.1 -2,-0.1 -3,-0.1 3,-0.1 0.435 81.7 64.1-109.9 8.6 6.7 29.7 42.0 78 78 A D S S+ 0 0 90 1,-0.1 2,-0.3 35,-0.1 36,-0.1 0.139 106.7 21.9-113.4 16.3 10.2 31.1 42.5 79 79 A R S S- 0 0 83 -3,-0.2 60,-0.2 34,-0.1 -1,-0.1 -0.963 85.5 -86.5-171.1 156.8 11.3 31.7 38.9 80 80 A E - 0 0 2 58,-3.3 2,-0.4 -2,-0.3 29,-0.2 -0.443 37.5-144.3 -69.6 153.0 10.0 32.2 35.3 81 81 A S E - H 0 108B 18 27,-1.6 27,-2.5 -5,-0.1 2,-0.4 -0.955 12.7-137.1-112.2 139.2 9.2 29.0 33.3 82 82 A L E + H 0 107B 12 -2,-0.4 -42,-0.7 25,-0.2 2,-0.3 -0.834 25.5 169.5-103.5 128.2 9.9 29.0 29.6 83 83 A F E -FH 39 106B 5 23,-2.8 23,-3.3 -2,-0.4 2,-0.5 -0.901 27.0-128.9-126.0 166.4 7.6 27.5 26.9 84 84 A W E -FH 38 105B 40 -46,-3.0 -46,-2.7 -2,-0.3 2,-0.6 -0.970 8.4-155.0-122.5 118.1 7.7 27.7 23.1 85 85 A V E -FH 37 104B 0 19,-2.9 19,-2.5 -2,-0.5 2,-0.5 -0.879 16.0-162.1 -88.6 119.8 4.7 28.7 21.1 86 86 A N E -FH 36 103B 5 -50,-3.3 -50,-1.8 -2,-0.6 2,-0.5 -0.966 10.4-177.6-108.6 122.3 5.1 27.2 17.5 87 87 A V E -FH 35 102B 2 15,-2.6 15,-3.5 -2,-0.5 2,-0.6 -0.988 7.2-167.2-121.3 113.3 2.9 28.7 14.7 88 88 A K E -FH 34 101B 10 -54,-2.9 -54,-2.7 -2,-0.5 2,-0.6 -0.927 5.5-159.2-104.1 123.5 3.4 27.0 11.4 89 89 A A E -FH 33 100B 7 11,-3.0 11,-2.1 -2,-0.6 -56,-0.2 -0.927 6.4-163.9-102.6 115.8 2.0 28.7 8.3 90 90 A I E -F 32 0B 56 -58,-3.7 -58,-2.5 -2,-0.6 2,-0.2 -0.939 14.7-139.4-107.3 114.0 1.6 26.2 5.4 91 91 A P E -F 31 0B 29 0, 0.0 2,-0.3 0, 0.0 -60,-0.2 -0.523 9.5-133.7 -78.3 134.2 1.1 27.9 2.0 92 92 A A - 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