==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 30-AUG-10 3ONR . COMPND 2 MOLECULE: PROTEIN TRANSPORT PROTEIN SECE2; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.ARULANDU,J.C.SACCHETTINI . 838 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 600 71.6 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 . 369 44.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 12 1.4 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-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 . 35 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 17.9 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 0 0 5 1 6 0 0 1 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 . 0 0 13 11 0 0 0 2 10 12 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 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 V 0 0 99 0, 0.0 2,-0.7 0, 0.0 437,-0.1 0.000 360.0 360.0 360.0-115.1 -10.9 40.3 36.7 2 2 A S + 0 0 32 435,-0.1 435,-0.5 62,-0.1 2,-0.4 -0.879 360.0 173.2 -91.6 116.8 -10.1 38.5 33.4 3 3 A V E -A 436 0A 0 -2,-0.7 62,-3.0 62,-0.3 2,-0.3 -0.956 14.3-151.7-118.1 145.7 -6.7 37.0 33.4 4 4 A Y E -AB 435 64A 60 431,-2.7 431,-2.4 -2,-0.4 2,-0.4 -0.813 8.1-137.9-124.0 151.7 -5.4 34.7 30.7 5 5 A K E -AB 434 63A 27 58,-3.0 58,-2.0 -2,-0.3 2,-0.5 -0.845 17.0-154.1-105.1 142.8 -2.9 31.8 30.4 6 6 A V E +AB 433 62A 7 427,-2.5 427,-0.7 -2,-0.4 2,-0.3 -0.976 17.6 174.1-117.6 129.7 -0.5 31.6 27.5 7 7 A I E - B 0 61A 10 54,-2.7 54,-2.5 -2,-0.5 2,-0.4 -0.911 27.5-130.9-134.2 167.3 0.9 28.4 26.3 8 8 A D E +CB 784 60A 36 776,-0.8 776,-2.6 -2,-0.3 2,-0.3 -0.889 27.8 179.7-110.2 128.6 3.1 27.1 23.5 9 9 A I E -CB 783 59A 2 50,-2.4 50,-3.4 -2,-0.4 2,-0.5 -0.963 17.8-141.4-127.4 157.3 1.9 24.0 21.5 10 10 A I E -CB 782 58A 30 772,-2.6 772,-2.9 -2,-0.3 2,-0.3 -0.979 11.2-165.9-121.4 124.2 3.4 22.0 18.6 11 11 A G E -CB 781 57A 0 46,-2.4 46,-2.5 -2,-0.5 2,-0.3 -0.742 9.0-161.6 -99.5 156.6 1.4 20.6 15.7 12 12 A T E + B 0 56A 20 768,-0.7 768,-0.2 8,-0.3 44,-0.2 -0.978 12.6 169.2-135.4 160.6 2.9 18.1 13.3 13 13 A S E - B 0 55A 1 42,-1.9 42,-3.1 -2,-0.3 7,-0.1 -0.963 38.8-141.0-167.9 140.6 2.0 16.9 9.8 14 14 A P S S+ 0 0 83 0, 0.0 39,-0.2 0, 0.0 3,-0.1 0.626 103.6 48.3 -77.5 -9.9 3.3 14.8 7.0 15 15 A T S S- 0 0 81 1,-0.3 2,-0.3 40,-0.1 3,-0.1 0.946 114.6 -27.4 -96.8 -61.1 1.8 17.4 4.6 16 16 A S > - 0 0 21 39,-0.1 4,-2.2 1,-0.1 -1,-0.3 -0.985 46.9-111.0-157.0 159.6 2.4 21.1 5.5 17 17 A W H > S+ 0 0 2 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.852 119.6 58.0 -67.1 -34.5 3.2 23.5 8.3 18 18 A E H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.920 108.8 44.3 -58.1 -43.9 -0.4 24.9 7.7 19 19 A Q H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.904 112.8 50.3 -68.1 -43.8 -1.9 21.4 8.3 20 20 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -8,-0.3 0.954 114.2 47.1 -56.3 -45.6 0.4 20.9 11.4 21 21 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.897 110.4 49.8 -65.1 -45.2 -0.8 24.4 12.6 22 22 A A H X S+ 0 0 25 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.871 109.6 53.0 -63.0 -34.7 -4.5 23.7 12.0 23 23 A E H X S+ 0 0 73 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.919 110.3 47.1 -64.7 -47.7 -4.2 20.4 13.9 24 24 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.931 114.3 47.4 -57.8 -52.9 -2.6 22.2 16.9 25 25 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.933 111.7 49.1 -57.2 -45.6 -5.4 24.9 16.8 26 26 A Q H X S+ 0 0 70 -4,-2.9 4,-0.8 2,-0.2 -2,-0.2 0.929 111.3 49.5 -61.0 -42.9 -8.2 22.4 16.5 27 27 A R H >X S+ 0 0 27 -4,-2.3 3,-1.2 2,-0.2 4,-0.6 0.941 111.2 50.8 -56.5 -49.6 -6.8 20.4 19.5 28 28 A A H >X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.3 3,-1.8 0.936 107.8 53.0 -53.9 -48.1 -6.6 23.7 21.5 29 29 A R H 3< S+ 0 0 50 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.677 94.8 68.9 -67.7 -10.9 -10.2 24.5 20.6 30 30 A D H << S+ 0 0 126 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.737 112.3 32.4 -74.7 -20.6 -11.3 21.1 21.9 31 31 A S H << S+ 0 0 48 -3,-1.8 2,-0.4 -4,-0.6 -2,-0.2 0.740 126.1 29.1-102.8 -39.3 -10.4 22.4 25.4 32 32 A V < - 0 0 22 -4,-2.2 3,-0.3 1,-0.1 -1,-0.3 -0.961 56.3-155.3-130.6 147.7 -11.1 26.1 25.4 33 33 A D S S+ 0 0 132 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.571 79.7 71.3 -97.4 -7.7 -13.6 28.0 23.4 34 34 A D + 0 0 51 30,-0.1 2,-0.6 2,-0.0 -1,-0.2 0.250 56.3 125.0-103.4 19.6 -11.9 31.5 23.3 35 35 A I + 0 0 1 -3,-0.3 158,-0.1 1,-0.2 3,-0.1 -0.641 16.7 155.9 -83.2 122.4 -8.9 31.2 21.0 36 36 A R + 0 0 117 -2,-0.6 153,-2.8 1,-0.3 2,-0.3 0.505 62.9 31.9-118.7 -12.5 -9.0 33.8 18.2 37 37 A V E -D 188 0A 57 151,-0.3 25,-0.4 25,-0.2 2,-0.4 -0.994 53.7-168.7-146.0 146.1 -5.3 34.0 17.3 38 38 A A E -D 187 0A 0 149,-2.5 149,-1.9 -2,-0.3 2,-0.4 -0.973 15.8-149.3-137.6 124.0 -2.3 31.8 17.2 39 39 A R E -DE 186 60A 58 21,-2.3 21,-2.2 -2,-0.4 2,-0.5 -0.742 16.8-125.5 -96.2 137.0 1.3 33.2 16.6 40 40 A V E + E 0 59A 19 145,-2.5 145,-0.4 -2,-0.4 19,-0.2 -0.686 33.4 168.7 -81.0 124.0 4.0 31.1 14.9 41 41 A I E - 0 0 73 17,-3.1 2,-0.3 -2,-0.5 18,-0.2 0.800 62.8 -7.3-100.3 -43.2 7.1 30.9 17.1 42 42 A E E - E 0 58A 63 16,-1.4 16,-2.5 2,-0.0 -1,-0.4 -0.992 52.8-158.8-153.8 154.8 9.2 28.2 15.3 43 43 A Q E + E 0 57A 11 68,-0.4 68,-2.5 -2,-0.3 2,-0.3 -0.983 21.6 154.3-134.3 145.9 9.0 25.7 12.4 44 44 A D E -FE 110 56A 19 12,-2.5 12,-3.1 -2,-0.3 2,-0.4 -0.940 31.3-125.3-151.2 177.8 11.1 22.6 11.8 45 45 A M E -FE 109 55A 0 64,-2.2 64,-2.4 -2,-0.3 2,-0.4 -1.000 10.8-151.2-130.1 136.8 11.1 19.3 10.1 46 46 A A E -FE 108 54A 23 8,-2.5 8,-2.5 -2,-0.4 2,-0.4 -0.862 16.3-162.4 -98.0 140.8 11.8 15.9 11.6 47 47 A V E - E 0 53A 8 60,-2.8 6,-0.2 -2,-0.4 2,-0.2 -0.981 2.5-153.4-124.6 133.9 13.3 13.4 9.2 48 48 A D > - 0 0 60 4,-1.6 3,-2.2 -2,-0.4 58,-0.1 -0.506 40.3 -91.7 -96.4 179.8 13.4 9.5 9.7 49 49 A S T 3 S+ 0 0 89 1,-0.3 57,-0.0 -2,-0.2 -1,-0.0 0.623 127.0 55.2 -69.5 -14.4 15.9 7.1 8.2 50 50 A A T 3 S- 0 0 92 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.442 120.6-109.7 -90.0 -3.0 13.7 6.5 5.2 51 51 A G < + 0 0 18 -3,-2.2 2,-0.5 1,-0.3 -2,-0.2 0.609 64.0 156.6 79.1 12.3 13.7 10.3 4.6 52 52 A K - 0 0 112 1,-0.0 -4,-1.6 2,-0.0 2,-0.3 -0.669 32.2-144.9 -74.0 123.2 10.0 10.7 5.6 53 53 A I E - E 0 47A 27 -2,-0.5 2,-0.5 -6,-0.2 -6,-0.2 -0.644 15.6-166.6 -90.9 135.0 9.5 14.3 6.7 54 54 A T E - E 0 46A 35 -8,-2.5 -8,-2.5 -2,-0.3 2,-0.4 -0.997 17.8-142.1-117.5 125.5 7.2 15.5 9.4 55 55 A Y E -BE 13 45A 18 -42,-3.1 -42,-1.9 -2,-0.5 2,-0.4 -0.706 21.6-168.3 -84.0 132.5 6.6 19.3 9.4 56 56 A R E -BE 12 44A 86 -12,-3.1 -12,-2.5 -2,-0.4 2,-0.4 -0.959 7.9-173.8-128.3 140.7 6.4 20.6 12.9 57 57 A I E -BE 11 43A 1 -46,-2.5 -46,-2.4 -2,-0.4 2,-0.5 -0.995 15.6-146.6-142.0 129.5 5.2 24.1 14.1 58 58 A K E -BE 10 42A 13 -16,-2.5 -17,-3.1 -2,-0.4 -16,-1.4 -0.884 23.5-173.6 -98.3 127.6 5.3 25.7 17.5 59 59 A L E -BE 9 40A 0 -50,-3.4 -50,-2.4 -2,-0.5 2,-0.5 -0.898 17.9-143.2-120.6 146.2 2.3 28.1 18.1 60 60 A E E +BE 8 39A 31 -21,-2.2 -21,-2.3 -2,-0.3 2,-0.3 -0.949 28.1 166.7-110.5 129.5 1.6 30.4 21.1 61 61 A V E -B 7 0A 3 -54,-2.5 -54,-2.7 -2,-0.5 2,-0.3 -0.938 16.8-155.0-133.2 159.1 -2.1 30.8 22.1 62 62 A S E +B 6 0A 39 -25,-0.4 2,-0.3 -2,-0.3 -56,-0.2 -0.934 11.1 177.8-132.6 161.5 -3.8 32.3 25.1 63 63 A F E -B 5 0A 17 -58,-2.0 -58,-3.0 -2,-0.3 -28,-0.0 -0.986 39.5 -82.2-158.3 152.9 -7.2 31.8 26.9 64 64 A K E -B 4 0A 108 -2,-0.3 2,-0.5 -60,-0.3 -60,-0.3 -0.347 43.7-122.0 -56.2 137.6 -9.1 33.0 29.9 65 65 A M - 0 0 22 -62,-3.0 -62,-0.3 2,-0.0 -1,-0.1 -0.766 23.2-145.2 -79.0 126.4 -8.2 31.3 33.2 66 66 A R > - 0 0 58 -2,-0.5 3,-1.7 1,-0.1 -62,-0.0 -0.780 11.0-134.0 -91.9 137.0 -11.3 29.6 34.8 67 67 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.770 103.8 59.8 -58.0 -29.6 -11.4 29.8 38.6 68 68 A S T 3 S+ 0 0 124 2,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.198 89.3 85.0 -84.2 12.3 -12.4 26.0 38.9 69 69 A Q S < S- 0 0 110 -3,-1.7 -1,-0.1 779,-0.0 -3,-0.0 -0.953 81.1-135.8-115.0 105.7 -9.2 25.0 37.0 70 70 A P 0 0 99 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 -0.245 360.0 360.0 -60.1 146.8 -6.2 24.7 39.5 71 71 A L 0 0 33 382,-0.1 382,-0.0 -6,-0.0 -6,-0.0 -0.455 360.0 360.0 -85.7 360.0 -3.0 26.3 38.3 72 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 2 B S 0 0 84 0, 0.0 648,-1.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 155.5 30.3 11.8 19.3 74 3 B V E -G 720 0A 23 62,-0.2 62,-2.0 646,-0.2 2,-0.3 -0.997 360.0-162.7-131.0 138.8 30.8 15.1 17.5 75 4 B Y E -GH 719 135A 57 644,-2.7 644,-2.4 -2,-0.3 2,-0.4 -0.810 14.3-131.5-121.2 158.2 28.6 16.7 14.8 76 5 B K E -GH 718 134A 23 58,-2.9 58,-1.7 -2,-0.3 2,-0.5 -0.862 17.9-151.3-104.8 141.2 28.8 19.4 12.1 77 6 B V E +GH 717 133A 7 640,-2.4 640,-0.7 -2,-0.4 2,-0.3 -0.934 19.5 172.3-110.6 134.4 26.2 22.0 11.7 78 7 B I E - 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