==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 10-JAN-08 3BWS . COMPND 2 MOLECULE: PROTEIN LP49; . SOURCE 2 ORGANISM_SCIENTIFIC: LEPTOSPIRA INTERROGANS; . AUTHOR P.O.GIUSEPPE,F.O.NEVES,A.L.T.O.NASCIMENTO,B.G.GUIMARAES . 814 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 568 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 353 43.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 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-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 . 4 0.5 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 . 81 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.5 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 4 1 11 14 18 2 2 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 18 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 50 A G 0 0 98 0, 0.0 43,-3.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-151.8 68.2 65.8 57.3 2 51 A T E -A 43 0A 90 41,-0.3 2,-0.4 42,-0.0 39,-0.1 -0.682 360.0-148.0-119.9 165.0 67.4 66.3 53.6 3 52 A E E -A 42 0A 88 39,-2.5 39,-2.7 -2,-0.2 2,-0.6 -0.994 20.7-134.9-131.0 132.0 64.7 66.0 51.0 4 53 A I E -A 41 0A 97 -2,-0.4 2,-0.3 37,-0.2 37,-0.2 -0.771 30.0-175.1 -83.2 120.1 65.5 65.2 47.3 5 54 A V E -A 40 0A 0 35,-3.0 35,-2.3 -2,-0.6 2,-0.4 -0.811 16.8-147.8-114.7 157.4 63.5 67.5 45.0 6 55 A K E +A 39 0A 109 -2,-0.3 69,-3.0 33,-0.2 70,-0.3 -0.995 33.7 139.5-128.0 126.5 63.1 67.6 41.3 7 56 A F E -A 38 0A 1 31,-1.9 31,-2.9 -2,-0.4 2,-0.4 -0.898 44.6-101.3-153.5 174.1 62.7 70.9 39.4 8 57 A S E -Ab 37 77A 20 68,-3.3 70,-2.8 -2,-0.3 2,-0.4 -0.850 23.8-161.3-111.7 145.5 63.8 72.6 36.2 9 58 A I E -Ab 36 78A 1 27,-2.5 27,-2.4 -2,-0.4 70,-0.2 -0.975 12.0-138.8-124.7 142.9 66.4 75.3 35.8 10 59 A H E S+ b 0 79A 7 68,-2.2 70,-2.4 -2,-0.4 25,-0.2 -0.906 89.6 25.7-145.7 109.2 66.8 77.7 32.8 11 60 A P + 0 0 8 0, 0.0 -1,-0.3 0, 0.0 24,-0.2 0.501 68.2 177.5 -82.4 160.7 69.6 78.2 32.0 12 61 A Y > + 0 0 81 22,-1.1 3,-1.8 -3,-0.1 2,-0.2 0.848 55.0 91.8 -87.7 -44.6 71.5 75.1 33.0 13 62 A K T 3 S- 0 0 144 1,-0.3 21,-0.0 21,-0.1 23,-0.0 -0.339 105.7 -3.0 -62.3 121.4 75.0 76.0 31.6 14 63 A G T 3 S+ 0 0 57 1,-0.2 2,-0.3 -2,-0.2 -1,-0.3 0.356 97.6 142.9 84.4 -3.4 77.2 77.9 34.1 15 64 A T < - 0 0 15 -3,-1.8 2,-0.4 42,-0.2 -1,-0.2 -0.527 28.3-172.9 -85.2 133.5 74.4 77.9 36.8 16 65 A V E -D 56 0B 29 40,-2.6 40,-1.9 -2,-0.3 2,-0.5 -0.945 10.7-157.2-118.3 141.5 75.1 77.4 40.5 17 66 A I E -D 55 0B 1 -2,-0.4 7,-3.0 7,-0.3 2,-0.3 -0.990 17.7-179.0-114.5 126.3 72.7 77.1 43.4 18 67 A R E -DE 54 23B 100 36,-2.4 36,-3.0 -2,-0.5 2,-0.3 -0.853 13.6-168.4-119.8 158.0 73.9 78.0 46.8 19 68 A L E > S-DE 53 22B 12 3,-2.4 3,-1.1 -2,-0.3 34,-0.1 -0.935 82.6 -2.2-146.8 120.2 72.2 77.9 50.3 20 69 A G T 3 S- 0 0 55 32,-0.5 3,-0.1 -2,-0.3 33,-0.1 0.812 130.8 -61.9 63.5 30.7 73.8 79.5 53.3 21 70 A E T 3 S+ 0 0 166 1,-0.2 2,-0.4 33,-0.0 -1,-0.2 0.583 116.0 110.3 70.5 16.7 76.7 80.4 50.9 22 71 A E E < S-E 19 0B 149 -3,-1.1 -3,-2.4 0, 0.0 -1,-0.2 -0.917 77.2-100.5-116.9 146.2 77.5 76.8 50.3 23 72 A I E -E 18 0B 98 -2,-0.4 -5,-0.3 -5,-0.2 -7,-0.0 -0.430 24.6-152.1 -63.5 132.0 77.0 74.9 47.0 24 73 A L - 0 0 21 -7,-3.0 -7,-0.3 -2,-0.1 -1,-0.1 -0.923 23.3-139.9-102.5 103.7 73.9 72.8 46.8 25 74 A P - 0 0 93 0, 0.0 16,-0.8 0, 0.0 2,-0.3 -0.331 21.2-170.4 -69.7 146.0 74.9 70.1 44.4 26 75 A F E -C 40 0A 55 14,-0.2 2,-0.4 12,-0.0 14,-0.2 -0.912 16.4-134.8-130.3 162.9 72.3 68.9 41.8 27 76 A K E -C 39 0A 120 12,-2.9 12,-2.7 -2,-0.3 2,-0.4 -0.957 22.6-124.3-119.2 132.2 72.2 66.0 39.4 28 77 A V E +C 38 0A 55 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.659 31.4 170.4 -79.7 127.0 71.0 66.5 35.8 29 78 A L E + 0 0 58 8,-3.5 2,-0.3 -2,-0.4 9,-0.2 0.784 67.4 8.1 -99.2 -45.4 68.1 64.2 34.9 30 79 A E E -C 37 0A 126 7,-1.8 7,-2.3 2,-0.0 2,-0.4 -0.992 59.7-153.7-140.5 145.5 67.1 65.6 31.5 31 80 A M E +C 36 0A 92 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.990 12.5 175.2-121.5 126.1 68.4 68.2 29.1 32 81 A D E > -C 35 0A 44 3,-3.2 3,-2.5 -2,-0.4 2,-0.3 -0.839 68.0 -68.2-129.2 95.5 66.2 70.2 26.7 33 82 A K T 3 S- 0 0 53 -2,-0.4 -1,-0.1 1,-0.3 320,-0.1 -0.484 119.2 -15.2 50.6-115.6 68.4 72.8 24.9 34 83 A N T 3 S+ 0 0 41 -2,-0.3 -22,-1.1 -3,-0.1 2,-0.5 0.312 120.3 93.7 -95.8 8.9 69.2 75.1 27.8 35 84 A I E < - C 0 32A 19 -3,-2.5 -3,-3.2 -24,-0.2 2,-0.5 -0.900 57.7-166.3-105.6 127.5 66.5 73.8 30.2 36 85 A A E -AC 9 31A 0 -27,-2.4 -27,-2.5 -2,-0.5 2,-0.6 -0.947 18.9-147.3-116.9 131.2 67.6 71.1 32.6 37 86 A L E +AC 8 30A 44 -7,-2.3 -8,-3.5 -2,-0.5 -7,-1.8 -0.866 37.1 176.6 -85.5 122.3 65.5 68.9 34.8 38 87 A V E -AC 7 28A 0 -31,-2.9 -31,-1.9 -2,-0.6 2,-0.4 -0.894 28.4-142.2-130.3 154.1 67.6 68.4 37.9 39 88 A E E +AC 6 27A 50 -12,-2.7 -12,-2.9 -2,-0.3 2,-0.3 -0.968 25.0 176.7-117.5 142.4 67.4 66.6 41.3 40 89 A X E -AC 5 26A 3 -35,-2.3 -35,-3.0 -2,-0.4 2,-0.5 -0.991 29.1-126.2-144.2 143.3 68.9 68.2 44.4 41 90 A A E -A 4 0A 34 -16,-0.8 -37,-0.2 -2,-0.3 -2,-0.0 -0.832 27.3-169.9 -90.5 126.4 69.1 67.4 48.1 42 91 A I E -A 3 0A 0 -39,-2.7 -39,-2.5 -2,-0.5 2,-0.1 -0.965 21.8-122.8-115.4 132.6 67.8 70.3 50.3 43 92 A P E -A 2 0A 41 0, 0.0 2,-1.1 0, 0.0 -41,-0.3 -0.390 27.4-113.9 -65.5 151.2 68.3 70.3 54.1 44 93 A V - 0 0 72 -43,-3.3 2,-0.2 25,-0.1 25,-0.1 -0.794 32.9-148.4 -90.4 96.5 65.2 70.5 56.2 45 94 A Y - 0 0 80 -2,-1.1 3,-0.2 4,-0.1 2,-0.1 -0.439 17.9-163.1 -63.1 133.3 65.6 73.9 57.9 46 95 A K > + 0 0 60 1,-0.2 3,-2.1 -2,-0.2 -1,-0.1 -0.390 56.3 46.6-109.2-173.3 64.0 74.0 61.3 47 96 A D T 3 S- 0 0 158 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 0.804 127.3 -60.0 44.3 46.4 62.9 76.7 63.9 48 97 A E T 3 S+ 0 0 111 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.590 89.5 157.5 63.6 15.4 61.1 78.9 61.3 49 98 A K < - 0 0 140 -3,-2.1 2,-0.3 1,-0.1 -1,-0.2 -0.594 38.6-131.0 -73.4 124.7 64.3 79.4 59.2 50 99 A E - 0 0 117 -2,-0.4 2,-0.9 1,-0.1 18,-0.2 -0.554 11.6-129.1 -76.6 134.9 63.5 80.3 55.6 51 100 A I E - F 0 67B 0 16,-2.3 16,-2.6 -2,-0.3 2,-0.8 -0.791 26.6-171.6 -85.2 107.9 65.3 78.4 52.9 52 101 A E E - F 0 66B 65 -2,-0.9 -32,-0.5 14,-0.2 2,-0.4 -0.872 5.6-160.7-105.1 102.3 66.8 81.0 50.6 53 102 A L E -DF 19 65B 0 12,-3.0 12,-3.4 -2,-0.8 2,-0.6 -0.678 6.3-152.5 -77.8 130.2 68.2 79.4 47.4 54 103 A K E -DF 18 64B 101 -36,-3.0 -36,-2.4 -2,-0.4 2,-0.4 -0.927 11.7-167.8-110.6 114.7 70.6 81.7 45.7 55 104 A L E +DF 17 63B 2 8,-3.2 8,-2.1 -2,-0.6 2,-0.3 -0.818 10.8 168.7-105.2 138.4 70.9 81.2 41.9 56 105 A S E +D 16 0B 23 -40,-1.9 -40,-2.6 -2,-0.4 6,-0.1 -0.996 4.6 166.5-149.9 147.0 73.6 82.7 39.7 57 106 A S > - 0 0 12 3,-0.4 3,-2.1 -2,-0.3 -42,-0.2 -0.968 45.3 -86.5-160.1 141.7 74.9 82.2 36.1 58 107 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -43,-0.0 -0.273 115.4 13.2 -53.6 130.5 77.2 84.1 33.7 59 108 A G T 3 S+ 0 0 35 1,-0.2 24,-2.4 23,-0.1 2,-0.3 0.531 113.0 100.1 79.6 7.7 75.3 86.8 31.7 60 109 A F B < S-G 82 0C 56 -3,-2.1 -3,-0.4 22,-0.3 22,-0.3 -0.930 75.4-112.2-126.0 147.9 72.3 86.5 34.1 61 110 A Q - 0 0 45 20,-3.5 20,-0.4 -2,-0.3 2,-0.2 -0.469 43.5-100.8 -69.7 147.1 71.0 88.5 37.1 62 111 A N - 0 0 130 -2,-0.1 2,-0.4 -6,-0.1 -6,-0.2 -0.489 39.6-161.0 -65.1 137.4 71.2 86.8 40.5 63 112 A S E -F 55 0B 27 -8,-2.1 -8,-3.2 -2,-0.2 2,-0.5 -0.964 10.4-151.7-118.9 143.5 67.9 85.3 41.8 64 113 A S E -F 54 0B 46 -2,-0.4 2,-0.6 -10,-0.2 -10,-0.2 -0.958 9.0-164.1-105.6 131.5 66.8 84.3 45.3 65 114 A Y E -F 53 0B 58 -12,-3.4 -12,-3.0 -2,-0.5 2,-0.4 -0.943 9.2-162.3-118.2 108.7 64.3 81.6 45.5 66 115 A R E +F 52 0B 131 -2,-0.6 2,-0.3 -14,-0.2 -14,-0.2 -0.773 13.6 170.7 -98.1 130.4 62.7 81.4 49.0 67 116 A I E -F 51 0B 5 -16,-2.6 -16,-2.3 -2,-0.4 -2,-0.0 -0.980 33.7-149.1-135.6 147.8 60.8 78.4 50.2 68 117 A R S S+ 0 0 120 -2,-0.3 -1,-0.1 1,-0.3 -23,-0.1 0.839 90.8 14.7 -78.5 -35.5 59.4 77.3 53.6 69 118 A K S > S- 0 0 25 1,-0.1 3,-1.4 -18,-0.1 4,-0.3 -0.982 75.8-117.2-141.2 147.8 59.9 73.7 52.8 70 119 A P G > S+ 0 0 2 0, 0.0 3,-2.6 0, 0.0 4,-0.4 0.907 110.3 66.2 -46.7 -52.4 62.0 71.6 50.2 71 120 A E G > S+ 0 0 52 1,-0.3 3,-1.4 2,-0.2 -67,-0.0 0.742 85.7 71.7 -40.3 -37.9 58.7 70.1 48.8 72 121 A E G < S+ 0 0 75 -3,-1.4 -1,-0.3 1,-0.3 -67,-0.0 0.724 93.4 55.9 -55.0 -25.1 57.6 73.6 47.6 73 122 A L G X S+ 0 0 0 -3,-2.6 3,-2.2 -4,-0.3 -1,-0.3 0.674 78.5 117.8 -86.0 -18.8 60.3 73.4 44.8 74 123 A N T < S+ 0 0 60 -3,-1.4 -67,-0.2 -4,-0.4 3,-0.1 -0.228 87.5 2.3 -52.2 132.0 59.1 70.2 43.3 75 124 A E T 3 S+ 0 0 162 -69,-3.0 -1,-0.3 1,-0.2 -68,-0.2 0.543 101.2 135.7 66.3 11.1 58.0 70.5 39.7 76 125 A K < - 0 0 86 -3,-2.2 -68,-3.3 -70,-0.3 2,-0.5 -0.426 49.2-140.2 -81.1 157.8 58.9 74.2 39.7 77 126 A L E -b 8 0A 7 -70,-0.2 2,-0.7 15,-0.2 -68,-0.2 -0.996 10.7-162.6-113.5 123.7 60.8 76.0 36.9 78 127 A I E -b 9 0A 6 -70,-2.8 -68,-2.2 -2,-0.5 2,-0.5 -0.930 11.2-175.4-100.5 113.9 63.4 78.5 38.0 79 128 A A E -b 10 0A 8 -2,-0.7 10,-0.2 -70,-0.2 2,-0.1 -0.952 15.1-141.6-113.5 124.0 64.2 80.8 35.1 80 129 A L - 0 0 13 -70,-2.4 2,-0.5 -2,-0.5 -18,-0.1 -0.444 19.3-114.3 -78.7 152.1 66.9 83.4 35.6 81 130 A D - 0 0 14 -20,-0.4 -20,-3.5 -2,-0.1 3,-0.1 -0.780 29.0-117.8 -91.7 128.8 66.7 86.9 34.1 82 131 A K B > -G 60 0C 63 -2,-0.5 3,-1.8 -22,-0.3 -22,-0.3 -0.291 45.3 -87.2 -59.2 142.3 69.2 87.9 31.4 83 132 A E T 3 S+ 0 0 123 -24,-2.4 -1,-0.1 1,-0.2 3,-0.1 -0.260 110.5 15.0 -55.9 135.7 71.4 90.8 32.4 84 133 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.315 89.6 129.5 86.1 -9.5 69.9 94.2 31.6 85 134 A I < - 0 0 5 -3,-1.8 -1,-0.3 1,-0.1 -4,-0.0 -0.513 46.7-154.5 -80.6 152.7 66.3 93.2 31.0 86 135 A T S S+ 0 0 32 -2,-0.2 319,-2.9 -3,-0.1 2,-0.5 0.182 73.3 80.5-113.1 13.3 63.5 95.0 32.9 87 136 A H E -H 404 0D 0 317,-0.2 2,-0.4 315,-0.0 317,-0.2 -0.992 69.6-154.6-120.3 123.0 60.9 92.2 32.8 88 137 A R E -H 403 0D 89 315,-2.5 315,-2.2 -2,-0.5 2,-0.2 -0.844 18.7-113.1-110.6 136.3 61.5 89.6 35.6 89 138 A F E +H 402 0D 25 -2,-0.4 313,-0.3 313,-0.2 3,-0.1 -0.427 37.7 168.0 -62.3 128.3 60.4 86.0 35.6 90 139 A I E - 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