==== 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 GENOMICS, UNKNOWN FUNCTION 07-MAR-07 2P2E . COMPND 2 MOLECULE: PUTATIVE FE-S BIOSYNTHESIS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS SALIVARIUS; . AUTHOR R.AGARWAL,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CEN . 119 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6378.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 21.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 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-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 0.8 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 . 17 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 8.4 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 1 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 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A L 0 0 37 0, 0.0 66,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 140.9 62.3 40.6 12.0 2 4 A K E -ab 67 86A 113 83,-2.5 85,-2.8 82,-0.2 2,-0.4 -0.960 360.0-164.7-131.8 148.0 65.5 39.4 10.5 3 5 A I E -ab 68 87A 4 64,-2.2 66,-0.8 -2,-0.3 2,-0.5 -0.997 7.6-154.4-135.5 134.1 66.4 36.9 7.7 4 6 A T E - b 0 88A 72 83,-2.1 85,-2.3 -2,-0.4 2,-0.5 -0.922 11.0-158.9-107.2 126.4 69.6 35.2 6.8 5 7 A V E - b 0 89A 4 -2,-0.5 85,-0.2 83,-0.2 5,-0.0 -0.927 15.6-132.6-108.8 120.0 70.0 34.1 3.2 6 8 A T > - 0 0 35 83,-2.0 4,-2.4 -2,-0.5 5,-0.2 -0.101 27.2-105.4 -62.1 166.9 72.6 31.3 2.5 7 9 A D H > S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.928 120.6 49.5 -61.8 -46.2 75.1 31.7 -0.3 8 10 A D H > S+ 0 0 113 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.866 113.7 47.2 -61.3 -36.4 73.4 29.2 -2.6 9 11 A A H > S+ 0 0 0 80,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.881 110.8 49.7 -73.3 -40.2 70.0 30.9 -2.0 10 12 A A H >X S+ 0 0 22 -4,-2.4 3,-1.1 1,-0.2 4,-0.8 0.930 108.5 54.5 -64.7 -42.5 71.3 34.4 -2.6 11 13 A K H >< S+ 0 0 131 -4,-2.4 3,-1.0 1,-0.3 4,-0.4 0.909 106.6 50.8 -56.8 -42.9 72.9 33.3 -5.8 12 14 A K H 3< S+ 0 0 78 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.664 114.3 45.4 -69.4 -16.1 69.5 31.9 -7.0 13 15 A L H XX S+ 0 0 0 -3,-1.1 4,-2.4 -4,-0.8 3,-1.6 0.440 85.9 96.9-103.5 -3.7 68.0 35.3 -6.1 14 16 A Q H > S- 0 0 7 -2,-0.4 3,-1.0 1,-0.1 4,-0.5 -0.078 88.7 -92.5 111.7 148.2 46.3 42.8 -0.8 34 36 A A G >4 S+ 0 0 48 1,-0.2 3,-1.4 23,-0.2 4,-0.2 0.852 120.9 63.2 -61.1 -34.0 46.1 44.4 -4.2 35 37 A L G >4 S+ 0 0 8 1,-0.3 3,-1.8 22,-0.2 -1,-0.2 0.769 88.1 67.1 -65.4 -25.1 49.0 42.1 -5.3 36 38 A S G <4 S+ 0 0 18 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.840 94.1 61.5 -62.8 -27.7 46.9 39.0 -4.8 37 39 A K G << S+ 0 0 149 -3,-1.4 2,-0.4 -4,-0.5 -1,-0.3 0.528 97.3 71.2 -74.8 -6.0 44.8 40.4 -7.8 38 40 A V S < S- 0 0 69 -3,-1.8 79,-0.0 -4,-0.2 0, 0.0 -0.917 102.5 -14.2-112.0 138.3 47.9 40.1 -9.9 39 41 A G S S- 0 0 45 -2,-0.4 78,-0.1 2,-0.0 76,-0.0 0.257 103.7 -22.5 60.1 171.2 49.3 36.8 -11.0 40 42 A V - 0 0 99 1,-0.1 2,-0.3 -3,-0.0 -2,-0.1 0.051 56.2-161.8 -47.6 152.5 48.5 33.3 -9.7 41 43 A C - 0 0 40 -4,-0.1 2,-1.3 -11,-0.0 -1,-0.1 -0.840 20.1-174.5-150.4 108.4 47.1 32.7 -6.3 42 44 A S - 0 0 64 -2,-0.3 2,-3.4 1,-0.1 4,-0.4 -0.788 21.7-159.6 -97.7 86.4 47.1 29.5 -4.3 43 45 A L + 0 0 107 -2,-1.3 -13,-0.1 1,-0.2 -1,-0.1 -0.096 54.6 120.3 -65.8 47.2 45.0 31.0 -1.5 44 46 A N S S- 0 0 83 -2,-3.4 -1,-0.2 2,-0.1 -14,-0.2 0.077 85.8-112.1 -98.3 25.2 46.1 28.3 0.9 45 47 A S + 0 0 58 -16,-2.0 2,-0.3 1,-0.2 -15,-0.2 0.939 69.1 142.6 42.1 66.0 47.6 31.0 3.2 46 48 A D - 0 0 57 -17,-0.5 -17,-3.0 -4,-0.4 2,-0.2 -0.884 52.5 -97.0-129.9 162.2 51.2 29.9 2.6 47 49 A F E +E 28 0B 9 -2,-0.3 66,-0.4 61,-0.2 2,-0.3 -0.544 46.6 153.1 -82.2 143.8 54.5 31.7 2.3 48 50 A R E -E 27 0B 8 -21,-1.6 -21,-2.3 -2,-0.2 2,-0.5 -0.976 41.2-108.9-162.3 156.7 56.1 32.6 -1.0 49 51 A I E -Eg 26 114B 1 64,-2.5 66,-3.5 -2,-0.3 2,-0.4 -0.831 30.3-170.7 -98.1 128.0 58.4 35.1 -2.5 50 52 A L E -Eg 25 115B 0 -25,-2.5 -25,-2.8 -2,-0.5 2,-0.5 -0.915 7.8-157.7-115.6 141.5 57.1 37.8 -4.8 51 53 A V E +Eg 24 116B 0 64,-2.6 66,-2.7 -2,-0.4 2,-0.2 -0.986 22.0 163.2-122.3 125.1 59.1 40.1 -6.9 52 54 A V E -E 23 0B 1 -29,-1.9 -29,-2.2 -2,-0.5 2,-0.3 -0.670 35.9-101.7-125.8-179.4 57.6 43.4 -8.1 53 55 A S E > -E 22 0B 8 64,-0.3 3,-1.2 -31,-0.2 -31,-0.2 -0.724 34.1-108.9-106.2 158.4 58.8 46.7 -9.4 54 56 A K T 3 S+ 0 0 123 -33,-1.6 -32,-0.1 -2,-0.3 4,-0.1 0.480 115.9 61.5 -66.8 1.4 59.0 49.9 -7.4 55 57 A D T 3 S+ 0 0 106 -34,-0.3 -1,-0.2 2,-0.1 2,-0.1 0.736 83.3 88.7 -97.9 -26.7 56.1 51.2 -9.5 56 58 A X S < S- 0 0 36 -3,-1.2 2,-1.6 1,-0.1 3,-0.4 -0.357 90.3-105.3 -71.2 150.8 53.4 48.6 -8.4 57 59 A D S S+ 0 0 89 1,-0.2 -22,-0.2 2,-0.1 -23,-0.2 -0.580 72.5 127.0 -83.3 86.7 51.4 49.3 -5.3 58 60 A Y > + 0 0 22 -2,-1.6 4,-2.5 -5,-0.1 -1,-0.2 0.494 55.2 79.5-111.3 -15.7 52.9 47.0 -2.8 59 61 A K T 4 S+ 0 0 107 -3,-0.4 -2,-0.1 1,-0.2 -3,-0.0 0.968 86.4 52.2 -59.7 -59.6 53.5 49.6 -0.1 60 62 A K T 4 S+ 0 0 161 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.869 125.2 27.7 -46.9 -43.7 50.0 50.0 1.3 61 63 A D T 4 S+ 0 0 30 1,-0.2 2,-2.5 -4,-0.2 16,-0.7 0.946 117.9 52.9 -85.7 -58.1 49.8 46.2 1.9 62 64 A Y S < S+ 0 0 0 -4,-2.5 14,-0.3 1,-0.2 -1,-0.2 -0.514 73.7 154.5 -80.5 73.7 53.4 45.1 2.4 63 65 A N + 0 0 92 -2,-2.5 2,-0.3 -3,-0.3 -1,-0.2 0.348 43.7 64.2 -87.5 -0.6 53.8 47.7 5.0 64 66 A E E -H 75 0B 61 11,-2.1 11,-2.2 -3,-0.1 2,-0.3 -0.895 68.1-135.8-126.8 159.6 56.5 46.2 7.1 65 67 A V E -H 74 0B 50 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.873 5.5-158.1-120.5 150.6 60.2 45.3 6.5 66 68 A I E -H 73 0B 0 7,-2.3 7,-1.6 -2,-0.3 2,-0.3 -0.984 23.3-134.6-120.2 126.8 62.5 42.5 7.2 67 69 A D E +a 2 0A 94 -66,-1.8 -64,-2.2 -2,-0.4 2,-0.3 -0.616 34.5 164.9 -81.7 144.2 66.2 43.2 7.2 68 70 A S E > -a 3 0A 26 3,-0.3 3,-1.3 -2,-0.3 -64,-0.2 -0.984 50.2-107.9-155.6 162.3 68.4 40.7 5.4 69 71 A N T 3 S+ 0 0 99 -66,-0.8 3,-0.1 -2,-0.3 -65,-0.1 0.490 117.6 46.4 -72.2 -4.9 71.9 40.3 4.0 70 72 A I T 3 S- 0 0 35 1,-0.5 2,-0.3 -57,-0.0 -1,-0.2 0.270 125.2 -80.2-119.3 13.1 70.7 40.6 0.4 71 73 A G S < S- 0 0 39 -3,-1.3 -1,-0.5 2,-0.0 -3,-0.3 -0.794 71.0 -28.7 123.1-167.3 68.5 43.6 0.8 72 74 A K - 0 0 110 -2,-0.3 -48,-0.6 -5,-0.1 2,-0.4 -0.524 39.4-157.8 -90.4 155.8 65.0 44.3 2.2 73 75 A F E -fH 24 66B 0 -7,-1.6 -7,-2.3 -2,-0.2 2,-0.3 -0.999 12.8-152.8-129.1 122.3 61.9 42.0 2.2 74 76 A Y E +fH 25 65B 34 -50,-2.8 -48,-2.7 -2,-0.4 2,-0.3 -0.727 19.6 172.7 -97.8 149.8 58.5 43.7 2.5 75 77 A Y E - H 0 64B 3 -11,-2.2 -11,-2.1 -2,-0.3 2,-0.4 -0.992 40.5 -90.3-153.3 158.2 55.6 41.9 4.1 76 78 A K > - 0 0 3 -50,-0.4 3,-0.9 -2,-0.3 4,-0.4 -0.554 40.5-129.6 -71.2 124.1 52.0 42.4 5.2 77 79 A G G > S+ 0 0 7 -16,-0.7 3,-2.6 -2,-0.4 4,-0.2 0.890 101.7 53.0 -37.6 -64.1 52.1 43.5 8.8 78 80 A Y G > S+ 0 0 98 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.783 94.7 67.1 -47.0 -40.2 49.5 41.0 10.1 79 81 A S G X S+ 0 0 0 -3,-0.9 3,-2.6 1,-0.3 4,-0.3 0.622 75.7 91.5 -61.6 -6.9 51.3 37.9 8.7 80 82 A K G X S+ 0 0 101 -3,-2.6 3,-1.4 -4,-0.4 -1,-0.3 0.795 74.5 66.8 -56.0 -27.9 54.0 38.8 11.2 81 83 A X G < S+ 0 0 147 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.669 98.4 51.4 -68.8 -16.7 52.1 36.4 13.5 82 84 A Y G < S+ 0 0 111 -3,-2.6 -1,-0.3 -4,-0.2 -2,-0.2 0.402 103.5 76.3-100.3 2.1 53.0 33.5 11.2 83 85 A X S < S- 0 0 19 -3,-1.4 2,-0.3 -4,-0.3 19,-0.1 -0.382 72.1-123.1-106.3-175.6 56.7 34.3 11.2 84 86 A D - 0 0 8 -2,-0.1 3,-0.2 -82,-0.1 -82,-0.2 -0.876 23.1-121.6-123.8 154.6 59.7 34.0 13.5 85 87 A D S S+ 0 0 105 -2,-0.3 -83,-2.5 1,-0.3 2,-0.5 0.861 106.4 32.1 -67.4 -34.7 62.0 36.8 14.7 86 88 A N E S+b 2 0A 55 -85,-0.2 17,-2.4 -83,-0.0 -1,-0.3 -0.914 82.8 169.0-127.2 104.8 65.1 35.2 13.2 87 89 A X E -bC 3 102A 1 -85,-2.8 -83,-2.1 -2,-0.5 2,-0.4 -0.625 19.4-144.7-113.1 173.9 64.4 33.2 10.0 88 90 A K E -bC 4 101A 94 13,-3.1 13,-2.7 -85,-0.2 2,-0.5 -0.998 6.3-158.8-143.6 141.4 66.4 31.6 7.3 89 91 A I E +bC 5 100A 2 -85,-2.3 -83,-2.0 -2,-0.4 2,-0.2 -0.981 29.0 161.4-117.4 119.1 66.2 31.1 3.6 90 92 A S E - C 0 99A 22 9,-1.9 9,-2.5 -2,-0.5 2,-0.5 -0.728 39.2 -99.7-128.5 179.9 68.3 28.2 2.3 91 93 A L E - C 0 98A 58 7,-0.2 7,-0.2 -2,-0.2 -82,-0.1 -0.917 34.8-118.8-110.5 127.2 68.4 26.0 -0.8 92 94 A N - 0 0 9 5,-2.8 19,-0.0 -2,-0.5 7,-0.0 -0.325 10.2-150.3 -61.9 139.5 66.9 22.5 -0.9 93 95 A T S S+ 0 0 133 1,-0.1 -1,-0.1 3,-0.1 3,-0.0 0.743 94.7 47.2 -82.0 -24.7 69.4 19.8 -1.6 94 96 A N S S+ 0 0 148 3,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.891 122.8 13.3 -83.4 -45.5 66.7 17.6 -3.2 95 97 A N S S- 0 0 77 2,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.645 83.2-102.6-122.4-179.6 64.9 20.0 -5.5 96 98 A S S S+ 0 0 85 -2,-0.2 2,-0.1 -5,-0.1 -3,-0.1 0.238 83.3 111.5 -92.7 15.6 65.8 23.5 -6.8 97 99 A L - 0 0 61 1,-0.1 -5,-2.8 -6,-0.1 -2,-0.2 -0.427 66.4-115.4 -88.1 163.3 63.4 25.2 -4.4 98 100 A L E -CD 91 112A 0 14,-1.5 14,-3.2 -7,-0.2 2,-0.4 -0.472 21.9-140.1 -90.7 167.1 64.1 27.5 -1.5 99 101 A R E -C 90 0A 53 -9,-2.5 -9,-1.9 12,-0.2 2,-0.6 -0.980 4.0-154.7-130.2 140.9 63.3 26.7 2.2 100 102 A L E +CD 89 109A 0 9,-2.6 8,-2.7 -2,-0.4 9,-2.4 -0.946 23.3 167.0-119.0 112.4 62.1 29.0 4.9 101 103 A T E -CD 88 107A 32 -13,-2.7 -13,-3.1 -2,-0.6 2,-0.3 -0.881 20.2-147.9-123.9 156.5 62.9 28.1 8.5 102 104 A G E > -CD 87 106A 7 4,-3.0 4,-2.1 -2,-0.3 -15,-0.2 -0.921 23.2-123.5-123.3 150.2 62.7 29.9 11.8 103 105 A D T 4 S+ 0 0 100 -17,-2.4 -16,-0.1 -2,-0.3 -1,-0.1 0.743 112.6 25.0 -59.8 -25.9 64.8 29.7 14.9 104 106 A N T 4 S+ 0 0 128 -18,-0.2 -1,-0.2 2,-0.1 -17,-0.1 0.585 128.6 40.9-115.5 -15.7 61.8 28.9 17.1 105 107 A S T 4 S- 0 0 72 1,-0.3 2,-0.2 0, 0.0 -2,-0.2 0.607 87.5-150.3-108.1 -17.6 59.3 27.4 14.7 106 108 A G E < S+D 102 0A 36 -4,-2.1 -4,-3.0 3,-0.0 2,-0.3 -0.604 70.2 18.6 80.3-143.5 61.6 25.2 12.6 107 109 A E E +D 101 0A 109 -2,-0.2 -6,-0.3 -6,-0.2 -8,-0.0 -0.452 59.7 169.6 -64.7 120.6 60.4 24.7 9.0 108 110 A L E S+ 0 0 36 -8,-2.7 -61,-0.2 -2,-0.3 -7,-0.2 0.744 81.4 4.9 -97.8 -34.1 57.9 27.4 8.2 109 111 A X E -D 100 0A 27 -9,-2.4 -9,-2.6 -3,-0.1 3,-0.4 -0.730 61.4-170.1-153.8 95.7 57.8 26.6 4.5 110 112 A P E S+ 0 0 64 0, 0.0 2,-0.4 0, 0.0 -18,-0.1 0.763 88.0 36.6 -59.9 -27.2 59.8 23.6 3.2 111 113 A A E S- 0 0 39 -12,-0.1 2,-0.7 -11,-0.1 -12,-0.2 -0.759 75.4-174.3-130.8 87.0 59.3 24.5 -0.4 112 114 A L E -D 98 0A 0 -14,-3.2 -14,-1.5 -2,-0.4 -64,-0.2 -0.716 11.9-158.4 -85.3 112.3 59.4 28.3 -0.9 113 115 A S - 0 0 39 -2,-0.7 -64,-2.5 -66,-0.4 2,-0.4 -0.347 7.8-132.5 -87.5 169.8 58.6 29.3 -4.4 114 116 A I E -g 49 0B 39 -66,-0.2 2,-0.5 -2,-0.1 -64,-0.2 -0.982 14.5-165.1-127.0 128.4 59.4 32.5 -6.3 115 117 A Q E -g 50 0B 37 -66,-3.5 -64,-2.6 -2,-0.4 2,-0.9 -0.945 9.0-152.9-117.7 124.0 57.0 34.6 -8.3 116 118 A D E +g 51 0B 73 -2,-0.5 -64,-0.1 -66,-0.2 -66,-0.1 -0.812 26.1 160.4 -95.5 103.6 58.1 37.2 -10.8 117 119 A F + 0 0 21 -66,-2.7 -64,-0.3 -2,-0.9 -1,-0.1 0.086 28.1 135.1-107.1 19.6 55.3 39.8 -11.1 118 120 A R 0 0 67 -66,-0.2 -66,-0.1 -67,-0.2 -96,-0.1 -0.450 360.0 360.0 -70.2 141.9 57.5 42.5 -12.5 119 121 A E 0 0 172 -2,-0.1 -1,-0.1 0, 0.0 -67,-0.0 0.890 360.0 360.0 -79.6 360.0 56.1 44.4 -15.5