==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-OCT-08 2W1W . COMPND 2 MOLECULE: LIPOLYTIC ENZYME, G-D-S-L; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR T.M.GLOSTER,G.J.DAVIES,M.CORREIA,J.PRATES,C.FONTES, . 262 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 65.6 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 . 116 44.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 29 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.5 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+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 0 0 0 0 0 0 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 . 2 0 3 3 3 3 0 2 1 1 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 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 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 2 A A 0 0 100 0, 0.0 128,-0.0 0, 0.0 127,-0.0 0.000 360.0 360.0 360.0 152.7 15.3 25.1 8.9 2 3 A S - 0 0 75 128,-3.0 128,-2.0 1,-0.1 127,-0.8 -0.689 360.0-101.8 -89.5 145.7 11.6 24.3 8.6 3 4 A P E -A 128 0A 61 0, 0.0 2,-0.5 0, 0.0 125,-0.2 -0.443 22.9-155.3 -72.4 144.6 10.0 22.3 11.3 4 5 A V E -A 127 0A 44 123,-2.5 123,-2.6 -2,-0.1 2,-0.5 -0.992 17.7-146.5-112.0 123.4 9.2 18.6 11.0 5 6 A I E -A 126 0A 67 -2,-0.5 2,-0.8 121,-0.2 121,-0.2 -0.804 8.2-159.3-100.1 125.0 6.5 17.6 13.4 6 7 A Y E -A 125 0A 37 119,-3.6 119,-2.2 -2,-0.5 2,-0.1 -0.903 26.5-142.5-100.7 104.8 6.5 14.1 14.9 7 8 A Q E > -A 124 0A 46 -2,-0.8 3,-1.7 117,-0.2 4,-0.3 -0.403 15.2-125.1 -79.1 148.7 2.8 13.7 16.0 8 9 A A G > S+ 0 0 0 115,-1.5 3,-1.9 21,-0.4 22,-0.1 0.874 110.3 63.5 -51.4 -42.6 1.6 11.9 19.1 9 10 A E G 3 S+ 0 0 16 20,-0.3 -1,-0.3 1,-0.3 134,-0.1 0.683 105.3 46.0 -60.6 -18.1 -0.5 9.7 17.0 10 11 A D G < S+ 0 0 78 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.341 90.7 115.7-106.7 1.4 2.6 8.3 15.4 11 12 A A < - 0 0 8 -3,-1.9 2,-0.5 -4,-0.3 32,-0.2 -0.252 63.9-130.1 -72.3 154.9 4.6 7.8 18.6 12 13 A I E -F 42 0B 29 30,-2.6 30,-2.0 193,-0.1 2,-0.3 -0.952 39.8-170.5 -99.4 126.4 5.8 4.5 20.1 13 14 A I E -F 41 0B 7 -2,-0.5 2,-0.3 28,-0.2 28,-0.2 -0.811 25.0-166.5-129.0 159.2 4.7 4.5 23.7 14 15 A Y E S-F 40 0B 97 26,-2.2 26,-2.2 -2,-0.3 3,-0.1 -0.972 81.2 -7.5-144.4 129.3 5.1 2.6 27.0 15 16 A N S S+ 0 0 38 -2,-0.3 2,-0.3 222,-0.3 24,-0.2 0.892 115.6 97.5 46.0 45.0 3.0 3.0 30.1 16 17 A A - 0 0 0 23,-0.1 2,-0.3 24,-0.1 17,-0.2 -0.959 61.6-142.1-155.3 158.4 1.3 5.9 28.4 17 18 A I E -B 32 0A 35 15,-2.8 15,-3.0 -2,-0.3 2,-0.5 -0.951 18.4-118.1-134.2 142.6 -1.8 6.4 26.4 18 19 A L E +B 31 0A 6 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.739 46.7 177.4 -80.7 124.3 -3.1 8.3 23.3 19 20 A E E -B 30 0A 46 11,-2.8 11,-2.3 -2,-0.5 124,-0.0 -0.865 35.2-174.8-133.9 158.0 -5.8 10.6 24.5 20 21 A T + 0 0 65 -2,-0.3 5,-0.1 9,-0.2 -1,-0.1 0.186 56.1 107.1-138.2 13.8 -8.1 13.4 23.2 21 22 A V + 0 0 112 9,-0.1 2,-0.5 1,-0.1 8,-0.0 0.936 65.7 64.6 -66.4 -53.3 -9.9 14.6 26.3 22 23 A N S > S- 0 0 33 68,-0.1 3,-0.7 1,-0.1 -1,-0.1 -0.639 84.1-124.8 -82.9 121.7 -8.2 18.0 26.8 23 24 A A T 3 S+ 0 0 64 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.1 -0.158 81.9 52.3 -57.8 152.0 -8.8 20.6 24.2 24 25 A G T 3 + 0 0 40 1,-0.4 -1,-0.2 68,-0.1 69,-0.1 0.283 69.3 128.4 105.9 -5.7 -6.1 22.4 22.4 25 26 A Y < - 0 0 71 -3,-0.7 -1,-0.4 -5,-0.1 2,-0.3 -0.279 51.1-130.0 -65.8 160.9 -3.9 19.6 21.1 26 27 A T > + 0 0 55 3,-0.2 3,-0.7 -2,-0.0 -18,-0.2 -0.752 68.6 14.7-113.6 168.9 -3.0 19.4 17.5 27 28 A G T 3 S- 0 0 48 -2,-0.3 3,-0.1 1,-0.2 97,-0.0 -0.346 119.5 -46.7 58.0-146.8 -3.3 16.6 15.1 28 29 A S T 3 S- 0 0 32 1,-0.1 2,-0.3 -2,-0.0 -1,-0.2 0.596 111.7 -15.3 -96.3 -10.8 -5.5 13.8 16.3 29 30 A C < - 0 0 0 -3,-0.7 -21,-0.4 94,-0.2 -20,-0.3 -0.979 51.0-127.1-169.7 177.3 -4.3 13.3 19.8 30 31 A Y E -B 19 0A 0 -11,-2.3 -11,-2.8 -2,-0.3 2,-0.4 -0.836 32.0-106.0-129.6 172.4 -1.8 13.8 22.5 31 32 A V E -BC 18 122A 0 91,-2.6 91,-2.4 -2,-0.3 2,-0.4 -0.890 24.3-161.6-107.3 136.2 0.0 11.4 24.8 32 33 A N E -B 17 0A 23 -15,-3.0 -15,-2.8 -2,-0.4 89,-0.1 -0.968 12.2-147.3-117.6 132.5 -0.7 10.9 28.5 33 34 A Y > - 0 0 1 86,-0.4 3,-1.2 -2,-0.4 6,-0.3 0.234 37.6-114.4 -87.9 6.9 1.7 9.3 31.0 34 35 A H T 3 - 0 0 80 1,-0.3 84,-0.1 -17,-0.1 3,-0.1 0.727 52.3 -85.5 77.6 16.2 -0.7 7.6 33.4 35 36 A N T 3 S+ 0 0 97 84,-0.2 83,-0.3 82,-0.2 2,-0.3 0.679 103.2 93.5 54.1 25.9 0.2 9.7 36.5 36 37 A E S X S- 0 0 92 -3,-1.2 3,-0.6 81,-0.2 83,-0.3 -0.931 77.4 -89.0-140.8 164.7 3.2 7.4 37.3 37 38 A V T 3 S+ 0 0 80 79,-0.5 77,-0.2 -2,-0.3 79,-0.1 -0.278 92.3 33.2 -66.3 154.9 6.9 7.0 36.8 38 39 A G T 3 S+ 0 0 26 75,-2.1 -1,-0.2 1,-0.3 76,-0.1 0.120 73.0 128.1 96.7 -17.6 8.6 5.2 33.9 39 40 A G < - 0 0 1 -3,-0.6 74,-2.7 -6,-0.3 2,-0.3 -0.236 35.5-171.9 -64.6 159.3 6.4 5.7 30.9 40 41 A Y E -FG 14 112B 46 -26,-2.2 -26,-2.2 72,-0.2 2,-0.4 -0.988 23.5-150.3-150.6 163.4 7.8 7.0 27.7 41 42 A I E +FG 13 111B 0 70,-1.7 70,-2.5 -2,-0.3 2,-0.3 -0.965 23.5 178.2-127.8 145.4 7.2 8.2 24.2 42 43 A E E -FG 12 110B 24 -30,-2.0 -30,-2.6 -2,-0.4 2,-0.3 -0.998 11.0-167.8-150.9 149.1 9.6 7.8 21.3 43 44 A W E - G 0 109B 11 66,-2.1 66,-2.4 -2,-0.3 2,-0.7 -0.959 28.8-120.4-131.7 159.2 9.9 8.6 17.6 44 45 A N E - G 0 108B 85 -2,-0.3 2,-0.5 64,-0.2 64,-0.2 -0.886 39.5-168.0 -97.0 108.6 12.1 7.6 14.8 45 46 A V E - G 0 107B 0 62,-3.3 62,-1.4 -2,-0.7 2,-0.3 -0.890 11.9-139.6-112.2 120.1 13.5 11.0 13.7 46 47 A N E - G 0 106B 92 -2,-0.5 60,-0.2 60,-0.2 58,-0.1 -0.564 12.4-167.5 -79.1 137.1 15.4 11.5 10.4 47 48 A A E - G 0 105B 1 58,-2.4 58,-2.4 56,-0.3 3,-0.1 -0.992 10.6-159.6-119.9 125.9 18.4 13.7 10.3 48 49 A P S S+ 0 0 75 0, 0.0 2,-0.3 0, 0.0 56,-0.1 0.786 80.3 12.2 -77.8 -23.7 19.7 14.5 6.8 49 50 A S S S- 0 0 60 54,-0.1 2,-0.2 56,-0.1 53,-0.1 -0.988 88.2 -96.2-145.5 152.0 23.1 15.4 8.1 50 51 A S S S+ 0 0 77 -2,-0.3 2,-0.3 -3,-0.1 53,-0.2 -0.484 74.6 78.2 -66.1 136.1 25.0 15.1 11.4 51 52 A G E S-D 102 0A 29 51,-2.1 51,-2.8 -2,-0.2 2,-0.3 -0.948 78.9 -30.8 159.1-165.4 24.9 18.1 13.7 52 53 A S E -D 101 0A 84 -2,-0.3 2,-0.4 49,-0.2 49,-0.2 -0.564 51.4-177.6 -86.1 133.9 22.9 20.0 16.3 53 54 A Y E -D 100 0A 16 47,-2.6 47,-2.4 -2,-0.3 2,-0.5 -0.978 27.9-119.6-130.5 143.6 19.1 20.1 16.1 54 55 A A E -D 99 0A 30 -2,-0.4 74,-1.7 74,-0.3 2,-0.5 -0.749 24.2-163.3 -78.0 130.4 16.4 21.9 18.1 55 56 A L E -DE 98 127A 0 43,-2.9 43,-2.4 -2,-0.5 2,-0.5 -0.976 12.1-178.1-117.2 110.7 14.0 19.4 19.8 56 57 A I E -DE 97 126A 30 70,-3.0 70,-3.4 -2,-0.5 2,-0.5 -0.951 10.2-161.8-119.8 124.3 10.8 21.2 20.9 57 58 A F E -DE 96 125A 0 39,-3.1 39,-2.1 -2,-0.5 2,-0.5 -0.894 9.2-149.1-102.9 135.0 8.0 19.5 22.7 58 59 A R E +DE 95 124A 53 66,-1.9 65,-2.9 -2,-0.5 66,-1.0 -0.886 38.6 153.3-100.2 130.7 4.5 21.0 22.9 59 60 A Y E -DE 94 122A 7 35,-2.7 35,-2.9 -2,-0.5 2,-0.4 -0.943 38.1-135.5-151.8 164.3 2.9 20.0 26.2 60 61 A A E - E 0 121A 0 61,-2.3 61,-2.1 -2,-0.3 2,-0.3 -0.987 11.1-177.7-128.6 145.8 0.4 20.7 28.9 61 62 A N + 0 0 0 31,-0.5 26,-2.6 28,-0.4 27,-1.1 -0.831 2.6 179.5-143.3 99.5 0.9 20.4 32.7 62 63 A G + 0 0 25 -2,-0.3 28,-0.2 24,-0.2 2,-0.2 0.259 60.0 83.5 -85.9 10.6 -2.3 21.2 34.6 63 64 A T S S- 0 0 40 2,-0.2 25,-0.4 26,-0.1 24,-0.2 -0.617 83.9-121.3-102.5 169.6 -0.6 20.5 38.0 64 65 A T S S+ 0 0 142 -2,-0.2 2,-0.3 22,-0.1 22,-0.3 0.600 86.5 82.1 -84.1 -11.1 1.5 22.9 40.0 65 66 A A S S- 0 0 50 20,-0.1 -2,-0.2 1,-0.1 0, 0.0 -0.751 85.2-104.5-107.4 142.7 4.5 20.7 40.0 66 67 A N - 0 0 61 -2,-0.3 19,-0.2 1,-0.1 -1,-0.1 -0.280 22.2-158.3 -56.8 139.0 7.2 20.1 37.5 67 68 A R - 0 0 13 17,-1.8 -1,-0.1 -4,-0.1 15,-0.1 -0.700 21.2-168.9-120.1 74.0 7.0 16.9 35.5 68 69 A P - 0 0 16 0, 0.0 46,-1.4 0, 0.0 47,-0.6 -0.226 2.2-158.2 -72.2 155.2 10.6 16.4 34.3 69 70 A M E -HI 82 113B 0 13,-2.3 13,-3.1 44,-0.2 2,-0.4 -0.982 18.7-122.2-135.0 148.0 11.7 13.9 31.8 70 71 A R E - I 0 112B 98 42,-2.5 42,-2.5 -2,-0.4 2,-0.6 -0.720 26.5-150.0 -81.4 127.2 14.8 12.0 30.7 71 72 A I E -HI 79 111B 0 8,-2.7 7,-1.8 -2,-0.4 8,-1.7 -0.932 15.0-173.6-107.5 121.2 15.6 12.7 27.0 72 73 A T E -HI 77 110B 20 38,-2.5 38,-2.7 -2,-0.6 2,-0.5 -0.926 7.3-170.7-115.7 134.2 17.4 9.8 25.3 73 74 A V E > S-HI 76 109B 6 3,-2.8 3,-1.9 -2,-0.4 36,-0.2 -0.988 76.9 -18.0-129.8 116.0 18.8 10.0 21.8 74 75 A N T 3 S- 0 0 58 34,-2.5 35,-0.1 -2,-0.5 3,-0.1 0.824 129.1 -52.3 55.1 36.7 20.1 6.8 20.2 75 76 A G T 3 S+ 0 0 63 33,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.310 116.6 109.9 88.7 -6.4 20.3 5.2 23.6 76 77 A N E < S-H 73 0B 118 -3,-1.9 -3,-2.8 2,-0.0 2,-0.8 -0.848 71.1-123.2-103.9 135.3 22.4 7.9 25.2 77 78 A I E +H 72 0B 87 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.688 32.7 171.3 -81.6 111.8 20.9 10.2 27.8 78 79 A V E S+ 0 0 67 -7,-1.8 -1,-0.2 -2,-0.8 -6,-0.2 0.712 76.7 21.8 -92.7 -26.0 21.4 13.8 26.5 79 80 A K E -H 71 0B 70 -8,-1.7 -8,-2.7 1,-0.1 3,-0.5 -0.883 63.1-167.8-143.9 105.0 19.3 15.4 29.2 80 81 A P E S+ 0 0 87 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.842 86.3 14.8 -63.4 -31.0 18.8 13.5 32.5 81 82 A S E - 0 0 53 -11,-0.1 2,-0.4 -10,-0.1 -11,-0.2 -0.603 69.5-177.9-151.4 81.2 16.0 15.8 33.7 82 83 A M E -H 69 0B 4 -13,-3.1 -13,-2.3 -3,-0.5 2,-0.2 -0.669 32.1-119.3 -81.3 129.9 14.4 18.2 31.2 83 84 A D - 0 0 85 -2,-0.4 2,-0.3 -15,-0.2 -1,-0.1 -0.469 28.2-178.3 -80.9 141.6 11.8 20.4 32.9 84 85 A F - 0 0 0 -2,-0.2 -17,-1.8 12,-0.0 3,-0.1 -0.778 23.8-168.5-133.9 83.1 8.1 20.5 32.0 85 86 A V - 0 0 77 -2,-0.3 -20,-0.1 -19,-0.2 -24,-0.1 -0.196 33.7 -68.1 -79.3 163.6 6.7 23.1 34.3 86 87 A S - 0 0 46 -22,-0.3 -1,-0.2 1,-0.1 -24,-0.2 -0.205 32.8-169.9 -49.8 136.6 3.1 24.0 35.0 87 88 A T - 0 0 15 -26,-2.6 -25,-0.2 -24,-0.2 -1,-0.1 0.362 47.0-114.6-105.2 -3.2 1.1 25.5 32.1 88 89 A G S S+ 0 0 62 -27,-1.1 2,-0.3 -25,-0.4 -26,-0.2 0.090 86.0 27.9 94.0 -25.9 -1.8 26.3 34.5 89 90 A A S > S- 0 0 30 3,-0.3 3,-1.5 -28,-0.2 -28,-0.4 -0.967 77.0-114.9-160.4 156.3 -4.4 24.0 33.0 90 91 A W T 3 S+ 0 0 68 -2,-0.3 -68,-0.1 1,-0.3 -28,-0.1 0.649 119.4 52.8 -68.8 -13.6 -4.6 20.8 31.1 91 92 A T T 3 S+ 0 0 76 -30,-0.1 2,-0.6 -67,-0.1 -1,-0.3 0.337 90.5 86.9-102.8 4.4 -6.0 22.8 28.2 92 93 A T < - 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