==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 25-APR-06 2GRV . COMPND 2 MOLECULE: LPQW; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS STR. MC2 155; . AUTHOR Z.MARLAND,J.ROSSJOHN . 1536 9 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 996 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 260 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 106 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 319 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.2 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 7 1 2 0 6 9 8 1 0 3 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 0 0 3 3 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 . 7 8 3 3 9 9 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 3 3 0 0 0 0 0 0 3 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 25 A A 0 0 147 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 125.8 40.2 27.8 44.9 2 26 A P - 0 0 84 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.395 360.0-105.1 -69.8 145.4 39.7 29.1 48.5 3 27 A T - 0 0 69 198,-0.1 201,-2.3 -2,-0.1 200,-1.1 -0.599 44.0-171.8 -70.8 121.8 36.2 29.8 49.8 4 28 A Q E -a 204 0A 56 -2,-0.4 2,-0.5 199,-0.2 201,-0.2 -0.971 16.0-160.5-122.5 133.5 35.8 33.6 50.0 5 29 A I E -a 205 0A 3 199,-2.0 201,-2.3 -2,-0.4 2,-0.5 -0.953 14.8-148.0-110.3 129.5 33.0 35.6 51.5 6 30 A I E -a 206 0A 18 -2,-0.5 220,-2.1 199,-0.2 221,-2.0 -0.872 12.6-172.5-103.4 122.4 32.7 39.3 50.4 7 31 A M E -ab 207 227A 1 199,-3.0 201,-2.0 -2,-0.5 2,-0.3 -0.971 18.1-136.5-115.3 123.9 31.4 41.9 52.8 8 32 A A E +ab 208 228A 0 219,-3.0 221,-2.7 -2,-0.5 2,-0.3 -0.589 27.7 170.8 -81.0 138.1 30.7 45.4 51.5 9 33 A I E -a 209 0A 4 199,-3.0 201,-2.7 -2,-0.3 202,-0.3 -0.850 42.4-115.6-134.5 170.2 31.8 48.5 53.5 10 34 A D S S- 0 0 58 219,-0.5 201,-0.3 1,-0.4 2,-0.3 0.971 87.4 -39.5 -71.2 -55.3 31.9 52.3 52.9 11 35 A S - 0 0 51 198,-0.1 -1,-0.4 -3,-0.1 16,-0.1 -0.918 64.3 -90.2-159.6 175.6 35.7 52.5 53.1 12 36 A I - 0 0 2 -2,-0.3 3,-0.3 1,-0.2 174,-0.0 0.687 67.7-138.6 -73.0 -16.4 38.5 51.0 55.2 13 37 A G - 0 0 14 1,-0.2 -1,-0.2 14,-0.1 3,-0.1 -0.187 29.9 -55.5 86.2-177.5 38.2 53.8 57.7 14 38 A P S S- 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.644 100.5 -40.5 -77.9 -20.9 40.8 55.9 59.7 15 39 A G - 0 0 0 -3,-0.3 150,-0.3 8,-0.2 151,-0.1 -0.978 43.7-107.3 169.5 179.3 42.7 53.2 61.4 16 40 A F S S+ 0 0 2 148,-1.5 149,-0.1 -2,-0.3 3,-0.0 0.143 74.6 103.1-128.6 18.8 42.8 49.9 63.3 17 41 A N > - 0 0 0 1,-0.1 3,-1.7 144,-0.1 6,-0.3 -0.899 51.0-164.0 -99.3 106.1 43.6 50.6 66.9 18 42 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.646 82.8 67.3 -65.4 -14.1 40.2 50.3 68.7 19 43 A H T 3 S+ 0 0 13 127,-0.1 90,-2.6 89,-0.1 2,-0.4 0.453 84.9 86.9 -87.4 -2.2 41.5 52.1 71.7 20 44 A L B X S-K 108 0B 8 -3,-1.7 3,-1.0 88,-0.3 88,-0.2 -0.829 70.1-142.8-104.9 138.2 41.9 55.5 69.9 21 45 A L G > S+ 0 0 7 86,-2.6 3,-1.1 -2,-0.4 390,-0.4 0.853 104.2 60.2 -58.0 -36.4 39.2 58.1 69.6 22 46 A S G 3 S+ 0 0 17 85,-0.5 -1,-0.2 1,-0.2 86,-0.1 0.720 104.1 48.8 -64.2 -25.3 40.6 58.8 66.1 23 47 A D G < S+ 0 0 8 -3,-1.0 2,-0.3 -6,-0.3 -8,-0.2 0.307 71.7 134.7-104.5 6.9 39.9 55.2 64.9 24 48 A Q < + 0 0 10 -3,-1.1 387,-0.1 -4,-0.2 231,-0.1 -0.445 31.9 126.5 -62.6 120.7 36.2 54.8 66.1 25 49 A S S > S- 0 0 9 -2,-0.3 4,-2.3 229,-0.1 5,-0.2 -0.934 70.1-115.4-173.7 145.7 34.5 53.2 63.1 26 50 A P H > S+ 0 0 10 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.802 118.6 52.2 -63.2 -28.8 32.3 50.1 62.4 27 51 A V H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.943 109.1 48.0 -68.8 -51.6 35.1 48.7 60.2 28 52 A N H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.890 113.1 48.6 -54.1 -44.9 37.7 49.1 62.9 29 53 A A H X S+ 0 0 20 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.864 111.1 51.5 -65.5 -36.3 35.4 47.4 65.4 30 54 A A H X S+ 0 0 2 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.928 111.4 44.6 -66.8 -47.9 34.7 44.6 63.0 31 55 A I H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 5,-0.4 0.902 112.0 52.8 -65.2 -42.9 38.4 43.8 62.2 32 56 A A H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.895 106.6 53.8 -58.7 -43.7 39.4 44.0 65.9 33 57 A S H < S+ 0 0 16 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.859 115.9 39.3 -55.2 -39.2 36.6 41.5 66.8 34 58 A L H < S+ 0 0 12 -4,-1.3 141,-2.2 -3,-0.2 -2,-0.2 0.706 127.9 25.5 -90.4 -25.0 38.0 39.0 64.2 35 59 A V H < S+ 0 0 0 -4,-1.9 137,-2.7 139,-0.2 -3,-0.2 0.641 105.4 72.7-117.7 -21.8 41.8 39.3 64.6 36 60 A L S < S- 0 0 1 -4,-2.0 110,-0.2 -5,-0.4 2,-0.2 -0.763 75.5-119.0-103.8 143.7 42.5 40.5 68.1 37 61 A P - 0 0 4 0, 0.0 110,-2.8 0, 0.0 2,-0.3 -0.504 29.4-167.4 -75.7 149.6 42.2 38.6 71.4 38 62 A S - 0 0 5 107,-0.2 22,-0.3 108,-0.2 107,-0.2 -0.977 28.2-144.3-136.3 147.9 39.8 39.8 74.1 39 63 A S S S+ 0 0 0 105,-1.2 18,-2.8 -2,-0.3 2,-0.3 0.877 92.8 16.1 -73.1 -40.4 39.3 38.9 77.8 40 64 A F E -L 56 0C 6 16,-0.3 -1,-0.2 101,-0.2 16,-0.2 -0.969 66.7-151.9-135.6 148.4 35.6 39.3 77.5 41 65 A R E -L 55 0C 66 14,-2.9 14,-3.0 -2,-0.3 2,-0.3 -0.946 23.9-119.2-119.7 143.4 33.1 39.5 74.6 42 66 A P E -L 54 0C 18 0, 0.0 461,-0.4 0, 0.0 12,-0.2 -0.586 25.1-175.3 -87.1 142.6 29.7 41.4 74.7 43 67 A V E -L 53 0C 44 10,-2.4 10,-2.6 -2,-0.3 461,-0.1 -0.942 40.5 -87.4-125.6 151.3 26.3 39.8 74.2 44 68 A P E +L 52 0C 80 0, 0.0 8,-0.3 0, 0.0 459,-0.1 -0.361 50.6 164.8 -59.5 134.7 22.9 41.7 74.0 45 69 A D > - 0 0 26 6,-3.0 3,-1.9 3,-0.1 6,-0.4 -0.747 24.1-169.4-154.3 101.4 21.4 42.3 77.4 46 70 A P T 3 S+ 0 0 113 0, 0.0 6,-0.1 0, 0.0 -1,-0.0 0.647 88.2 70.3 -70.6 -13.5 18.5 44.8 77.8 47 71 A T T 3 S+ 0 0 118 4,-0.1 5,-0.1 3,-0.0 6,-0.0 0.647 85.2 85.1 -70.3 -21.4 18.9 44.4 81.6 48 72 A S S X S- 0 0 23 -3,-1.9 3,-1.2 1,-0.1 -3,-0.1 -0.697 81.4-134.4 -88.4 137.1 22.2 46.3 81.3 49 73 A P T 3 S+ 0 0 63 0, 0.0 262,-0.5 0, 0.0 -1,-0.1 0.697 114.3 47.1 -55.7 -16.8 22.3 50.1 81.3 50 74 A T T 3 S- 0 0 6 2,-0.3 454,-0.1 259,-0.2 3,-0.1 0.588 110.9-122.3-100.8 -20.1 24.7 49.6 78.4 51 75 A G S < S+ 0 0 15 -3,-1.2 -6,-3.0 -6,-0.4 2,-0.4 0.323 84.3 85.9 86.3 -5.8 22.6 47.0 76.5 52 76 A S E -L 44 0C 3 -8,-0.3 2,-0.4 363,-0.1 -2,-0.3 -0.960 60.0-155.4-129.4 144.6 25.5 44.5 76.7 53 77 A R E -L 43 0C 149 -10,-2.6 -10,-2.4 -2,-0.4 2,-0.6 -0.942 23.5-131.8-110.8 141.1 26.7 41.9 79.1 54 78 A W E -L 42 0C 43 -2,-0.4 2,-0.4 -12,-0.2 87,-0.1 -0.848 24.6-168.7-101.1 119.6 30.4 41.0 79.0 55 79 A E E -L 41 0C 104 -14,-3.0 -14,-2.9 -2,-0.6 -2,-0.0 -0.875 30.7 -95.0-113.3 138.2 31.1 37.3 79.0 56 80 A L E -L 40 0C 58 -2,-0.4 2,-1.1 -16,-0.2 -16,-0.3 -0.176 29.9-132.2 -52.2 129.2 34.5 35.5 79.5 57 81 A D > - 0 0 16 -18,-2.8 4,-2.8 1,-0.2 3,-0.5 -0.763 22.2-174.5 -83.8 99.8 36.3 34.6 76.3 58 82 A T T 4 S+ 0 0 85 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.665 77.7 70.6 -71.7 -18.1 37.2 31.0 76.9 59 83 A T T 4 S+ 0 0 45 1,-0.1 -1,-0.2 -3,-0.1 20,-0.1 0.932 116.3 21.7 -59.7 -47.0 39.2 30.9 73.7 60 84 A L T 4 S+ 0 0 1 -3,-0.5 19,-2.4 -22,-0.3 2,-0.3 0.872 126.1 46.4 -87.4 -41.4 41.8 33.2 75.3 61 85 A L E < -M 78 0D 0 -4,-2.8 17,-0.2 17,-0.2 3,-0.1 -0.769 46.0-162.1-116.8 148.1 41.3 32.7 79.0 62 86 A E E S- 0 0 101 15,-3.3 2,-0.3 1,-0.4 16,-0.1 0.789 86.4 -24.0 -82.0 -35.9 40.8 29.8 81.5 63 87 A S E -M 77 0D 16 14,-1.0 14,-2.6 -6,-0.1 -1,-0.4 -0.981 44.3-159.4-166.7 159.2 39.4 32.4 83.9 64 88 A A E +M 76 0D 13 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.846 33.6 158.2-149.2 117.1 39.2 36.0 85.1 65 89 A E E -M 75 0D 115 10,-1.6 10,-2.4 -2,-0.3 2,-0.6 -0.977 50.7-103.1-142.3 148.8 38.1 36.6 88.7 66 90 A V E -M 74 0D 58 -2,-0.3 8,-0.3 8,-0.2 3,-0.1 -0.653 39.4-179.8 -66.4 113.1 38.2 39.1 91.6 67 91 A T E + 0 0 84 6,-2.2 2,-0.3 -2,-0.6 -1,-0.2 0.750 62.6 13.3 -93.9 -29.2 40.8 37.4 93.7 68 92 A Q E > -M 73 0D 88 5,-1.1 5,-2.2 3,-0.1 -1,-0.3 -0.993 49.1-163.2-149.6 149.3 40.9 39.9 96.6 69 93 A E T 5S+ 0 0 166 -2,-0.3 3,-0.5 3,-0.2 -1,-0.1 0.572 83.2 67.9-109.7 -15.6 38.7 42.8 97.8 70 94 A N T 5S+ 0 0 145 1,-0.4 2,-1.2 65,-0.0 -2,-0.0 0.963 121.6 16.8 -67.8 -87.4 41.1 44.6 100.1 71 95 A P T 5S- 0 0 56 0, 0.0 -1,-0.4 0, 0.0 63,-0.1 -0.812 111.2-121.5 -75.2 104.6 43.4 45.8 97.5 72 96 A F T 5 + 0 0 17 -2,-1.2 61,-2.6 -3,-0.5 2,-0.4 -0.258 45.8 175.3 -50.4 118.9 40.8 45.1 94.7 73 97 A T E < -MN 68 132D 5 -5,-2.2 -6,-2.2 59,-0.2 -5,-1.1 -0.990 25.5-162.5-138.2 139.8 42.5 42.7 92.4 74 98 A V E -MN 66 131D 0 57,-2.3 57,-3.2 -2,-0.4 2,-0.5 -0.982 10.7-157.1-118.9 131.6 41.6 40.6 89.3 75 99 A T E -MN 65 130D 11 -10,-2.4 -10,-1.6 -2,-0.4 2,-0.5 -0.956 3.5-159.5-112.0 125.7 43.7 37.7 88.1 76 100 A Y E -MN 64 129D 0 53,-3.0 53,-2.6 -2,-0.5 2,-0.7 -0.877 4.5-155.0-100.0 129.3 43.5 36.5 84.5 77 101 A K E -MN 63 128D 87 -14,-2.6 -15,-3.3 -2,-0.5 -14,-1.0 -0.901 16.7-156.4-106.2 104.2 44.6 33.0 83.7 78 102 A I E -M 61 0D 2 49,-2.9 -17,-0.2 -2,-0.7 -18,-0.1 -0.574 21.6-106.7 -85.1 140.9 45.7 32.9 80.0 79 103 A R > - 0 0 78 -19,-2.4 3,-0.7 -2,-0.2 11,-0.2 -0.429 18.2-135.5 -65.1 134.9 45.7 29.7 78.0 80 104 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 0.864 106.0 51.8 -56.4 -39.3 49.2 28.2 77.2 81 105 A E T 3 S+ 0 0 99 115,-0.1 2,-0.4 8,-0.1 116,-0.1 0.709 82.1 109.5 -72.4 -23.6 48.3 27.6 73.6 82 106 A A < + 0 0 0 -3,-0.7 8,-2.1 -22,-0.2 2,-0.3 -0.404 49.0 160.8 -62.0 113.5 47.1 31.2 73.1 83 107 A Q B -P 89 0E 56 -2,-0.4 113,-0.1 6,-0.3 5,-0.1 -0.960 41.7-110.5-138.6 152.6 49.7 32.9 70.8 84 108 A W > - 0 0 0 4,-3.4 3,-1.7 -2,-0.3 88,-0.2 -0.291 47.5 -98.8 -69.0 166.7 50.3 35.8 68.5 85 109 A T T 3 S+ 0 0 23 86,-2.4 87,-0.1 1,-0.3 -1,-0.1 0.659 122.9 59.2 -69.4 -16.2 50.6 35.1 64.8 86 110 A D T 3 S- 0 0 63 85,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.140 123.1-102.6 -95.6 17.9 54.4 35.2 65.0 87 111 A N S < S+ 0 0 85 -3,-1.7 -2,-0.1 1,-0.3 0, 0.0 0.382 80.3 136.0 73.9 -0.5 54.4 32.4 67.5 88 112 A A - 0 0 23 1,-0.1 -4,-3.4 -5,-0.1 -1,-0.3 -0.535 61.4-106.7 -70.5 140.8 55.0 34.8 70.5 89 113 A P B -P 83 0E 75 0, 0.0 2,-0.8 0, 0.0 -6,-0.3 -0.439 18.5-122.1 -71.0 142.8 52.8 34.0 73.4 90 114 A I + 0 0 0 -8,-2.1 2,-0.2 -11,-0.2 -8,-0.1 -0.806 59.5 159.1 -77.5 115.3 49.8 36.1 74.3 91 115 A A >> - 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