==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-APR-12 4EHC . COMPND 2 MOLECULE: PE-PGRS FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.V.BARATHY,K.SUGUNA . 280 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 31 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 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 RESIDUES PER ALPHA HELIX . 0 2 3 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 1 2 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 1 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 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 -21 A G > 0 0 60 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0-174.6 38.5 19.6 2.4 2 -20 A S G > + 0 0 23 1,-0.2 3,-2.0 2,-0.2 4,-0.2 0.870 360.0 62.4 -51.6 -39.2 42.1 18.5 3.1 3 -19 A S G > S+ 0 0 92 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.838 96.4 60.3 -64.3 -29.3 42.2 20.2 6.5 4 -18 A H G < S+ 0 0 136 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.671 111.4 39.1 -64.3 -19.7 39.4 18.0 7.8 5 -17 A H G < S+ 0 0 85 -3,-2.0 2,-0.8 -4,-0.5 251,-0.3 0.166 87.0 117.2-118.0 15.4 41.5 14.9 7.2 6 -16 A H < + 0 0 7 -3,-1.1 2,-0.4 -4,-0.2 71,-0.1 -0.767 35.7 162.4 -98.9 105.7 44.9 16.2 8.3 7 -15 A H - 0 0 96 -2,-0.8 2,-0.7 70,-0.1 70,-0.2 -0.978 30.7-156.2-127.7 133.5 46.3 14.4 11.4 8 -14 A H - 0 0 26 68,-2.0 2,-0.8 -2,-0.4 195,-0.1 -0.928 20.1-158.6-103.0 103.8 49.8 14.2 12.9 9 -13 A H - 0 0 56 -2,-0.7 196,-0.6 194,-0.4 2,-0.4 -0.761 7.7-143.5 -88.8 116.4 49.8 11.0 14.8 10 -12 A S - 0 0 85 -2,-0.8 194,-0.0 1,-0.1 193,-0.0 -0.643 9.0-164.1 -74.0 129.3 52.6 11.0 17.5 11 -11 A S 0 0 42 -2,-0.4 -1,-0.1 235,-0.1 209,-0.0 0.780 360.0 360.0 -81.5 -28.7 54.2 7.5 17.9 12 -10 A G 0 0 114 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.016 360.0 360.0 -55.9 360.0 55.9 8.2 21.3 13 ! 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 14 3 A T 0 0 196 0, 0.0 2,-0.4 0, 0.0 133,-0.0 0.000 360.0 360.0 360.0 2.1 64.7 38.0 -12.5 15 4 A L - 0 0 110 1,-0.2 133,-0.4 131,-0.0 134,-0.4 -0.630 360.0-178.8 -71.4 131.3 65.5 35.0 -10.2 16 5 A T + 0 0 70 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.785 69.5 17.2 -97.0 -34.9 63.8 31.9 -11.5 17 6 A N + 0 0 39 148,-0.2 -1,-0.3 2,-0.0 2,-0.3 -0.945 59.4 176.1-135.1 154.3 65.0 29.5 -8.7 18 7 A A E -A 164 0A 25 146,-1.3 146,-2.9 -2,-0.3 2,-0.3 -0.944 13.8-150.0-156.6 139.8 66.5 29.9 -5.2 19 8 A T E -A 163 0A 80 -2,-0.3 144,-0.2 144,-0.2 142,-0.0 -0.792 11.5-178.9-115.4 149.5 67.5 27.4 -2.5 20 9 A V E -A 162 0A 21 142,-2.1 142,-2.3 -2,-0.3 2,-0.1 -0.930 40.0 -85.5-136.3 158.8 67.6 27.7 1.3 21 10 A P E -A 161 0A 108 0, 0.0 2,-0.5 0, 0.0 12,-0.4 -0.412 33.1-158.6 -66.3 142.9 68.7 25.2 3.9 22 11 A L - 0 0 7 138,-2.1 2,-0.5 134,-0.1 10,-0.2 -0.994 10.3-153.3-121.3 119.6 66.1 22.7 5.2 23 12 A Q E -F 31 0B 102 8,-3.1 8,-2.9 -2,-0.5 2,-0.6 -0.828 3.5-147.9 -96.9 123.2 67.0 21.2 8.6 24 13 A L E -F 30 0B 65 -2,-0.5 2,-0.4 6,-0.2 3,-0.3 -0.849 17.0-167.6 -89.9 124.6 65.7 17.8 9.6 25 14 A V E > -F 29 0B 29 4,-2.8 4,-2.2 -2,-0.6 3,-0.2 -0.900 69.7 -3.1-112.7 132.6 65.0 17.6 13.3 26 15 A N T 4 S- 0 0 98 -2,-0.4 2,-2.2 1,-0.2 -1,-0.2 0.840 117.1 -79.5 52.9 38.6 64.4 14.3 15.0 27 16 A T T 4 S+ 0 0 104 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.0 -0.298 129.0 49.9 74.6 -47.1 64.6 12.5 11.6 28 17 A T T 4 S+ 0 0 3 -2,-2.2 176,-0.2 -3,-0.2 -1,-0.2 0.587 84.6 88.1-101.3 -16.0 61.1 13.4 10.5 29 18 A E E < -F 25 0B 9 -4,-2.2 -4,-2.8 91,-0.2 2,-0.6 -0.784 57.8-154.7-100.8 113.3 60.6 17.1 11.0 30 19 A P E -F 24 0B 0 0, 0.0 16,-3.0 0, 0.0 2,-0.4 -0.734 19.4-174.6 -88.6 124.5 61.5 19.4 8.2 31 20 A V E -FG 23 45B 1 -8,-2.9 -8,-3.1 -2,-0.6 2,-0.3 -0.931 9.7-179.1-122.9 134.5 62.3 22.9 9.5 32 21 A V E - G 0 44B 0 12,-2.0 12,-2.7 -2,-0.4 2,-0.4 -0.918 24.9-121.5-124.9 162.9 63.2 26.1 7.7 33 22 A F E + G 0 43B 79 -12,-0.4 2,-0.3 -2,-0.3 8,-0.1 -0.840 31.1 174.6-110.0 136.6 64.0 29.6 9.0 34 23 A I E - G 0 42B 0 8,-2.0 8,-2.5 -2,-0.4 2,-0.4 -0.944 24.4-140.9-135.0 155.9 62.0 32.7 8.2 35 24 A S E -M 91 0C 10 56,-2.4 56,-2.4 -2,-0.3 2,-0.5 -0.991 16.4-151.2-115.8 125.2 62.0 36.3 9.3 36 25 A L E > S-M 90 0C 5 -2,-0.4 3,-1.9 4,-0.4 54,-0.2 -0.869 78.3 -16.3-100.9 122.9 58.6 38.0 9.7 37 26 A N T 3 S- 0 0 81 52,-2.2 -1,-0.2 -2,-0.5 26,-0.1 0.877 130.1 -52.0 50.6 46.0 58.6 41.7 9.0 38 27 A G T 3 S+ 0 0 67 -3,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.487 104.9 141.2 71.9 4.8 62.4 41.9 9.3 39 28 A G < - 0 0 24 -3,-1.9 -1,-0.1 1,-0.2 3,-0.1 0.084 60.8 -59.7 -67.1-179.1 62.4 40.1 12.7 40 29 A Q - 0 0 164 1,-0.1 -4,-0.4 -5,-0.1 2,-0.2 -0.315 64.4 -95.5 -60.6 143.8 64.8 37.5 14.1 41 30 A X - 0 0 85 -6,-0.1 -6,-0.2 -3,-0.1 -1,-0.1 -0.488 51.1-174.2 -62.1 129.4 65.1 34.2 12.1 42 31 A V E -G 34 0B 17 -8,-2.5 -8,-2.0 -2,-0.2 2,-0.3 -0.950 25.4-108.5-132.1 146.6 62.7 31.6 13.6 43 32 A P E -G 33 0B 33 0, 0.0 81,-2.8 0, 0.0 2,-0.3 -0.572 34.2-176.4 -79.5 135.5 62.2 27.9 12.9 44 33 A V E -G 32 0B 0 -12,-2.7 -12,-2.0 -2,-0.3 2,-0.5 -0.972 27.7-115.8-125.2 150.6 58.9 26.9 11.2 45 34 A L E -Gh 31 126B 2 80,-2.6 82,-2.8 -2,-0.3 2,-0.8 -0.709 23.5-133.4 -85.5 122.6 57.7 23.3 10.4 46 35 A L E - h 0 127B 0 -16,-3.0 2,-0.6 -2,-0.5 82,-0.2 -0.685 32.1-179.7 -75.4 112.7 57.3 22.6 6.6 47 36 A D E > - h 0 128B 0 80,-2.6 82,-1.8 -2,-0.8 3,-1.0 -0.919 22.7-179.7-127.0 100.2 53.9 21.0 6.4 48 37 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 151,-0.1 0.642 81.1 70.4 -69.9 -13.1 52.6 19.9 3.0 49 38 A G T 3 S+ 0 0 1 81,-0.1 2,-0.3 149,-0.1 -1,-0.2 0.572 101.7 41.3 -84.4 -11.4 49.4 18.7 4.7 50 39 A S < - 0 0 20 -3,-1.0 80,-3.0 77,-0.1 2,-0.4 -0.848 68.2-139.4-131.5 169.3 48.1 22.2 5.5 51 40 A T E +I 129 0B 29 -2,-0.3 78,-0.2 78,-0.2 2,-0.1 -0.985 63.4 55.7-131.0 119.7 47.9 25.6 3.8 52 41 A G E S-I 128 0B 15 76,-2.1 76,-2.6 -2,-0.4 2,-0.6 -0.367 74.2-105.5 133.1 145.8 48.6 28.7 5.9 53 42 A L E +I 127 0B 3 49,-0.4 51,-2.8 74,-0.2 2,-0.5 -0.921 39.3 179.8-104.2 117.2 51.4 30.2 8.0 54 43 A V E -Ij 126 104B 14 72,-1.9 72,-2.5 -2,-0.6 2,-0.3 -0.990 8.3-160.0-124.3 120.3 50.4 30.0 11.7 55 44 A X E -Ij 125 105B 0 49,-3.0 51,-2.7 -2,-0.5 70,-0.3 -0.756 25.5-100.3-106.0 150.0 52.7 31.3 14.4 56 45 A D > - 0 0 11 68,-2.8 3,-2.1 -2,-0.3 -1,-0.1 -0.147 42.8-102.3 -57.2 156.7 52.9 30.5 18.1 57 46 A S G > S+ 0 0 41 1,-0.3 3,-2.5 2,-0.2 4,-0.2 0.707 114.3 79.1 -61.3 -21.8 51.3 33.1 20.5 58 47 A Q G > S+ 0 0 104 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.789 80.5 70.8 -52.5 -29.0 54.8 34.4 21.4 59 48 A F G X S+ 0 0 10 -3,-2.1 3,-1.5 1,-0.3 -1,-0.3 0.580 73.6 82.5 -69.0 -7.5 54.5 36.3 18.0 60 49 A L G < S+ 0 0 73 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.757 86.3 59.4 -64.1 -23.5 51.9 38.6 19.6 61 50 A T G < S+ 0 0 114 -3,-1.6 -1,-0.3 -4,-0.2 2,-0.2 0.546 93.3 88.1 -75.8 -9.9 54.9 40.5 21.0 62 51 A Q S < S- 0 0 89 -3,-1.5 2,-1.0 -4,-0.1 3,-0.1 -0.544 87.0-112.8 -95.3 156.5 56.1 41.1 17.4 63 52 A N + 0 0 121 -2,-0.2 -24,-0.1 1,-0.2 -2,-0.1 -0.770 50.9 148.5 -95.2 100.5 55.1 44.0 15.2 64 53 A F - 0 0 6 -2,-1.0 23,-0.6 1,-0.5 -1,-0.2 0.163 59.1-116.4-109.6 11.7 53.0 42.6 12.3 65 54 A G - 0 0 35 21,-0.1 -1,-0.5 -3,-0.1 3,-0.1 -0.381 63.6 -10.2 80.9-163.4 50.9 45.7 12.0 66 55 A P S S- 0 0 104 0, 0.0 21,-0.5 0, 0.0 2,-0.3 -0.330 73.5-102.7 -72.9 151.4 47.2 45.9 12.6 67 56 A V - 0 0 73 1,-0.1 19,-0.2 19,-0.1 3,-0.1 -0.563 36.4-178.7 -62.0 123.8 44.9 42.8 13.1 68 57 A I + 0 0 101 17,-2.9 2,-0.3 -2,-0.3 18,-0.2 0.438 62.2 0.6-104.5 -3.2 43.1 42.4 9.8 69 58 A G E -K 85 0B 27 16,-1.0 16,-2.7 2,-0.0 2,-0.3 -0.975 57.2-147.1-177.4 162.7 41.0 39.4 10.8 70 59 A T E +K 84 0B 115 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.937 26.2 140.2-143.1 156.6 40.1 36.9 13.5 71 60 A G E -K 83 0B 21 12,-1.6 12,-2.1 -2,-0.3 2,-0.3 -0.991 38.4-111.4-175.7-178.3 39.1 33.2 13.6 72 61 A T E +K 82 0B 93 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.986 37.9 154.3-134.4 143.9 39.1 29.7 15.2 73 62 A A E -K 81 0B 35 8,-2.7 8,-2.7 -2,-0.3 2,-0.3 -0.940 33.8-119.3-157.0 175.8 40.7 26.6 13.6 74 63 A G E -K 80 0B 55 -2,-0.3 2,-0.4 6,-0.2 6,-0.2 -0.891 19.9-147.0-121.5 153.0 42.2 23.2 14.4 75 64 A Y E >> -K 79 0B 12 4,-2.7 3,-2.4 -2,-0.3 4,-1.4 -0.984 68.8 -26.9-127.5 124.6 45.7 22.0 13.5 76 65 A A T 34 S- 0 0 5 -2,-0.4 -68,-2.0 1,-0.3 -69,-0.1 0.716 107.9 -73.7 56.5 28.4 46.7 18.5 12.6 77 66 A G T 34 S+ 0 0 58 -70,-0.2 -1,-0.3 2,-0.2 -70,-0.1 0.529 128.6 75.7 65.0 12.7 43.8 17.0 14.6 78 67 A G T <4 S+ 0 0 30 -3,-2.4 2,-0.4 1,-0.2 -2,-0.2 0.478 83.9 52.1-129.2 -11.8 45.5 17.8 17.9 79 68 A L E < -K 75 0B 3 -4,-1.4 -4,-2.7 2,-0.0 2,-0.4 -0.998 52.6-163.9-138.2 130.4 45.3 21.6 18.6 80 69 A T E +KL 74 110B 81 30,-2.8 30,-2.7 -2,-0.4 2,-0.3 -0.951 27.5 167.9-107.2 135.9 42.3 23.9 18.7 81 70 A Y E -KL 73 109B 18 -8,-2.7 -8,-2.7 -2,-0.4 2,-0.3 -0.995 36.1-137.6-149.4 151.3 43.2 27.6 18.6 82 71 A N E -KL 72 108B 64 26,-2.7 25,-2.6 -2,-0.3 26,-1.1 -0.776 35.1-172.2 -94.2 152.6 42.0 31.1 18.1 83 72 A Y E -KL 71 106B 46 -12,-2.1 -12,-1.6 -2,-0.3 2,-0.4 -0.996 25.6-135.8-147.0 150.5 44.1 33.4 16.0 84 73 A N E -KL 70 105B 30 21,-2.7 21,-2.9 -2,-0.3 2,-0.4 -0.846 24.5-140.6 -92.0 142.8 44.7 36.9 14.7 85 74 A T E +KL 69 104B 18 -16,-2.7 -17,-2.9 -2,-0.4 -16,-1.0 -0.882 23.4 178.4-103.4 138.0 45.4 37.5 11.0 86 75 A Y E - 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