==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-NOV-08 2W47 . COMPND 2 MOLECULE: LIPOLYTIC ENZYME, G-D-S-L; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR C.MONTAINER,A.LAMMERTS VAN BUEREN,C.DUMON,J.E.FLINT, . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6290.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 67.4 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 . 58 43.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 20 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.7 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+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 . 1 0 1 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 0 145 0, 0.0 128,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 146.6 4.7 47.8 -6.4 2 3 A S - 0 0 102 1,-0.1 127,-0.0 126,-0.1 0, 0.0 -0.351 360.0 -86.0 -67.8 151.8 2.4 45.8 -4.1 3 4 A P - 0 0 65 0, 0.0 2,-0.5 0, 0.0 125,-0.2 -0.289 42.0-131.9 -58.3 147.6 3.7 42.4 -2.8 4 5 A V E -A 127 0A 73 123,-2.8 123,-2.7 -3,-0.1 2,-0.6 -0.902 12.8-148.1-105.9 127.5 3.0 39.5 -5.2 5 6 A I E -A 126 0A 82 -2,-0.5 2,-0.8 121,-0.2 121,-0.2 -0.868 2.7-158.4 -98.7 124.3 1.4 36.4 -3.7 6 7 A Y E -A 125 0A 36 119,-3.6 119,-2.2 -2,-0.6 5,-0.1 -0.899 23.4-145.2-100.1 103.6 2.4 33.1 -5.3 7 8 A Q E > -A 124 0A 28 -2,-0.8 3,-1.7 117,-0.2 4,-0.4 -0.295 19.6-111.0 -75.6 158.3 -0.4 30.8 -4.4 8 9 A A G > S+ 0 0 0 115,-1.3 3,-1.7 21,-0.5 22,-0.1 0.876 115.2 59.0 -50.9 -44.0 -0.1 27.1 -3.6 9 10 A E G 3 S+ 0 0 101 1,-0.3 -1,-0.3 20,-0.2 21,-0.1 0.669 101.6 55.7 -65.8 -17.1 -2.0 26.1 -6.8 10 11 A D G < S+ 0 0 115 -3,-1.7 34,-0.3 2,-0.1 -1,-0.3 0.476 89.6 97.4 -96.8 -1.7 0.6 27.9 -9.0 11 12 A A S < S- 0 0 18 -3,-1.7 2,-0.5 -4,-0.4 32,-0.2 -0.404 75.5-124.6 -78.3 158.2 3.6 26.0 -7.7 12 13 A I E -F 42 0B 81 30,-3.1 30,-2.5 -2,-0.1 2,-0.3 -0.933 39.4-166.1 -95.1 125.8 5.2 23.0 -9.2 13 14 A I E -F 41 0B 51 -2,-0.5 2,-0.4 28,-0.2 28,-0.2 -0.914 17.7-168.4-123.5 149.5 5.2 20.4 -6.5 14 15 A Y E S-F 40 0B 115 26,-2.4 26,-2.4 -2,-0.3 20,-0.2 -0.998 77.9 -4.7-137.4 128.2 7.0 17.1 -6.0 15 16 A N S S+ 0 0 47 -2,-0.4 19,-2.7 1,-0.2 2,-0.3 0.932 116.8 92.6 50.0 47.7 6.2 14.5 -3.4 16 17 A A E -B 33 0A 12 17,-0.3 2,-0.3 23,-0.1 17,-0.3 -0.939 61.5-146.9-157.9 159.1 3.6 17.0 -2.0 17 18 A I E -B 32 0A 73 15,-2.6 15,-2.6 -2,-0.3 2,-0.5 -0.845 18.7-116.0-128.2 166.7 -0.1 17.5 -2.6 18 19 A L E +B 31 0A 76 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.920 47.6 162.8 -98.8 129.4 -2.6 20.4 -2.6 19 20 A E E -B 30 0A 31 11,-2.7 11,-2.1 -2,-0.5 -2,-0.0 -0.888 41.6-154.3-143.5 174.1 -5.2 20.0 0.1 20 21 A T + 0 0 82 -2,-0.3 5,-0.1 9,-0.2 11,-0.1 0.148 57.3 117.7-134.0 13.7 -7.8 21.9 2.1 21 22 A V + 0 0 106 9,-0.1 2,-0.5 1,-0.1 -1,-0.0 0.887 65.4 55.2 -57.1 -51.5 -7.9 19.9 5.3 22 23 A N S > S- 0 0 36 68,-0.1 3,-0.7 1,-0.1 -1,-0.1 -0.768 84.2-124.7 -98.0 126.0 -6.8 22.5 7.9 23 24 A A T 3 S+ 0 0 64 -2,-0.5 3,-0.1 1,-0.2 -1,-0.1 -0.137 82.4 56.3 -61.4 156.0 -8.6 25.8 8.2 24 25 A G T 3 + 0 0 38 1,-0.4 -1,-0.2 68,-0.1 69,-0.1 0.254 69.5 125.1 107.3 -8.9 -6.9 29.2 7.9 25 26 A Y < - 0 0 70 -3,-0.7 -1,-0.4 -5,-0.1 2,-0.3 -0.243 53.0-130.0 -70.2 168.1 -5.2 28.9 4.5 26 27 A T > + 0 0 52 3,-0.3 3,-0.6 -3,-0.1 -1,-0.1 -0.809 64.5 9.5-119.6 163.0 -5.9 31.5 1.8 27 28 A G T 3 S- 0 0 57 -2,-0.3 3,-0.1 1,-0.2 97,-0.0 -0.324 119.0 -35.3 62.4-149.2 -7.0 31.1 -1.8 28 29 A S T 3 S- 0 0 54 1,-0.1 2,-0.3 -2,-0.0 -1,-0.2 0.715 112.5 -35.0 -82.9 -23.9 -8.0 27.7 -3.0 29 30 A C < - 0 0 10 -3,-0.6 -21,-0.5 94,-0.2 2,-0.3 -0.951 51.8-118.3-175.6-176.8 -5.7 25.4 -1.0 30 31 A Y E -B 19 0A 0 -11,-2.1 -11,-2.7 -2,-0.3 2,-0.4 -0.911 33.1 -96.5-141.2 168.6 -2.2 24.9 0.5 31 32 A V E -BC 18 122A 0 91,-3.2 91,-2.2 -2,-0.3 2,-0.5 -0.776 26.5-168.8 -92.2 131.6 0.6 22.5 0.0 32 33 A N E -B 17 0A 36 -15,-2.6 -15,-2.6 -2,-0.4 89,-0.1 -0.978 19.7-141.3-116.3 112.6 1.0 19.4 2.3 33 34 A Y E -B 16 0A 1 -2,-0.5 -17,-0.3 87,-0.3 -18,-0.1 -0.396 24.6-102.8 -66.6 145.6 4.4 17.8 1.8 34 35 A H - 0 0 68 -19,-2.7 2,-2.1 -20,-0.2 85,-0.4 -0.433 41.8-107.2 -56.9 145.5 4.7 14.0 1.8 35 36 A N S S+ 0 0 90 83,-0.1 2,-0.3 -3,-0.1 83,-0.2 -0.525 89.3 85.1 -82.5 75.8 6.1 13.0 5.2 36 37 A E S > S- 0 0 79 -2,-2.1 3,-0.7 79,-0.2 2,-0.1 -0.967 86.7 -76.5-161.6 163.8 9.5 12.1 3.8 37 38 A V T 3 S+ 0 0 82 -2,-0.3 77,-0.2 1,-0.2 79,-0.1 -0.462 103.7 23.7 -65.7 138.7 12.9 13.6 2.8 38 39 A G T 3 + 0 0 23 75,-2.3 -1,-0.2 1,-0.3 76,-0.1 0.351 70.0 140.5 97.5 -5.0 13.0 15.6 -0.4 39 40 A G < - 0 0 0 -3,-0.7 74,-2.9 -5,-0.2 2,-0.3 -0.318 32.6-171.0 -60.6 155.1 9.5 16.8 -1.3 40 41 A Y E -FG 14 112B 47 -26,-2.4 -26,-2.4 72,-0.2 2,-0.4 -0.993 28.8-149.1-150.5 160.4 9.5 20.3 -2.8 41 42 A I E -FG 13 111B 0 70,-1.6 70,-2.5 -2,-0.3 2,-0.4 -0.990 22.4-172.3-124.7 137.0 7.5 23.3 -3.9 42 43 A E E -FG 12 110B 26 -30,-2.5 -30,-3.1 -2,-0.4 2,-0.4 -0.996 4.7-171.1-134.9 133.5 8.8 25.5 -6.7 43 44 A W E - G 0 109B 3 66,-2.6 66,-2.9 -2,-0.4 2,-0.9 -0.949 25.6-131.8-122.2 147.3 7.6 28.8 -8.0 44 45 A N E - G 0 108B 79 -2,-0.4 2,-0.5 -34,-0.3 64,-0.2 -0.865 36.9-165.5 -90.9 105.0 8.5 30.8 -11.1 45 46 A V E - G 0 107B 0 62,-3.0 62,-1.7 -2,-0.9 2,-0.3 -0.839 10.9-140.6-105.9 126.4 8.9 34.2 -9.5 46 47 A N E - G 0 106B 87 -2,-0.5 60,-0.2 60,-0.2 58,-0.1 -0.657 10.3-166.2 -82.5 136.3 9.1 37.5 -11.4 47 48 A A E - G 0 105B 0 58,-2.2 58,-2.6 -2,-0.3 3,-0.1 -0.980 10.1-157.9-118.5 115.1 11.5 40.2 -10.4 48 49 A P S S+ 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.826 83.5 9.7 -59.3 -31.1 10.7 43.6 -12.2 49 50 A S S S- 0 0 54 56,-0.1 53,-0.1 54,-0.1 2,-0.1 -0.976 91.3 -94.9-144.1 154.0 14.3 44.6 -11.5 50 51 A S S S+ 0 0 79 -2,-0.3 2,-0.3 54,-0.1 53,-0.2 -0.442 76.9 79.6 -66.4 142.0 17.4 42.9 -10.3 51 52 A G E S-D 102 0A 18 51,-2.2 51,-3.0 -2,-0.1 2,-0.4 -0.969 78.9 -27.9 153.1-165.6 18.0 43.3 -6.6 52 53 A S E -D 101 0A 12 -2,-0.3 78,-2.9 49,-0.2 2,-0.4 -0.673 52.3-179.9 -91.1 132.4 17.0 42.2 -3.1 53 54 A Y E -DE 100 129A 11 47,-2.7 47,-2.6 -2,-0.4 2,-0.4 -0.978 28.0-123.9-130.4 142.6 13.6 40.7 -2.4 54 55 A A E -DE 99 128A 9 74,-2.7 74,-1.6 -2,-0.4 2,-0.5 -0.718 21.2-162.7 -79.3 133.4 11.8 39.4 0.7 55 56 A L E -DE 98 127A 0 43,-3.1 43,-2.0 -2,-0.4 2,-0.5 -0.974 13.0-176.6-118.4 108.0 10.6 35.8 0.2 56 57 A I E -DE 97 126A 24 70,-2.9 70,-3.2 -2,-0.5 2,-0.5 -0.942 12.2-158.7-115.3 121.3 8.0 35.1 2.9 57 58 A F E -DE 96 125A 1 39,-3.1 39,-2.0 -2,-0.5 2,-0.6 -0.850 9.2-148.6 -94.3 127.0 6.3 31.6 3.2 58 59 A R E +DE 95 124A 52 66,-2.0 65,-2.8 -2,-0.5 66,-0.9 -0.888 39.8 160.6 -90.7 124.5 3.0 31.5 5.1 59 60 A Y E -DE 94 122A 7 35,-2.8 35,-2.6 -2,-0.6 2,-0.4 -0.911 37.0-142.8-145.7 160.9 3.1 28.1 6.7 60 61 A A E - E 0 121A 0 61,-2.3 61,-2.1 -2,-0.3 2,-0.3 -0.983 10.8-179.9-128.4 145.5 1.7 25.9 9.4 61 62 A N + 0 0 0 31,-0.5 26,-2.7 28,-0.4 27,-1.0 -0.795 2.6 179.3-144.3 98.1 3.6 23.3 11.5 62 63 A G + 0 0 22 -2,-0.3 2,-0.2 24,-0.2 28,-0.2 0.223 60.4 83.9 -88.9 13.8 1.3 21.5 14.0 63 64 A T S S- 0 0 34 2,-0.2 25,-0.4 26,-0.1 24,-0.2 -0.699 84.2-122.4-103.7 167.9 4.2 19.3 15.3 64 65 A T S S+ 0 0 138 -2,-0.2 22,-0.5 22,-0.1 2,-0.3 0.735 85.5 87.7 -79.0 -19.3 6.7 20.3 18.0 65 66 A A S S- 0 0 57 20,-0.1 -2,-0.2 1,-0.1 2,-0.0 -0.605 83.2-110.8 -94.7 139.2 9.6 19.7 15.7 66 67 A N - 0 0 59 -2,-0.3 19,-0.2 19,-0.1 -1,-0.1 -0.318 21.2-152.9 -55.6 137.8 11.3 22.1 13.3 67 68 A R - 0 0 9 17,-1.9 -1,-0.1 -4,-0.1 15,-0.1 -0.755 20.9-163.6-116.4 80.3 10.7 21.2 9.6 68 69 A P - 0 0 17 0, 0.0 46,-2.0 0, 0.0 47,-0.6 -0.275 3.8-161.5 -71.4 150.5 13.8 22.8 7.9 69 70 A M E -HI 82 113B 0 13,-2.3 13,-3.1 44,-0.2 2,-0.5 -0.986 19.4-126.7-134.6 145.5 14.0 23.3 4.2 70 71 A R E - I 0 112B 89 42,-2.6 42,-2.4 -2,-0.4 2,-0.5 -0.795 28.5-152.2 -87.3 122.7 16.7 23.9 1.7 71 72 A I E -HI 79 111B 0 8,-2.6 7,-2.5 -2,-0.5 8,-1.7 -0.874 14.9-177.5-104.6 126.2 16.0 27.1 -0.3 72 73 A T E -HI 77 110B 21 38,-2.4 38,-2.2 -2,-0.5 2,-0.5 -0.931 17.3-160.6-121.9 144.6 17.4 27.4 -3.8 73 74 A V E > S-HI 76 109B 6 3,-2.5 3,-2.1 -2,-0.4 36,-0.2 -0.988 89.8 -17.3-121.1 115.2 17.2 30.3 -6.3 74 75 A N T 3 S- 0 0 60 34,-3.0 35,-0.1 -2,-0.5 3,-0.1 0.824 130.1 -54.8 56.7 32.6 17.9 29.1 -9.9 75 76 A G T 3 S+ 0 0 60 33,-0.5 2,-0.5 1,-0.3 -1,-0.3 0.347 111.0 125.7 83.7 -6.3 19.4 26.0 -8.2 76 77 A N E < -H 73 0B 108 -3,-2.1 -3,-2.5 1,-0.0 2,-0.6 -0.738 66.6-122.1 -85.0 129.6 21.8 28.0 -6.1 77 78 A I E +H 72 0B 101 -2,-0.5 -5,-0.2 -5,-0.2 -1,-0.0 -0.604 39.3 166.2 -74.5 113.8 21.5 27.3 -2.4 78 79 A V E S+ 0 0 63 -7,-2.5 -1,-0.2 -2,-0.6 -6,-0.2 0.684 76.6 19.6-101.1 -24.6 20.7 30.5 -0.7 79 80 A K E -H 71 0B 80 -8,-1.7 -8,-2.6 1,-0.1 3,-0.5 -0.839 64.1-165.8-144.1 104.2 19.7 29.0 2.6 80 81 A P E S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.871 87.8 14.1 -56.2 -38.6 21.0 25.5 3.4 81 82 A S E S- 0 0 55 -11,-0.1 2,-0.5 -13,-0.0 -11,-0.2 -0.732 71.3-175.1-145.8 90.3 18.6 25.1 6.3 82 83 A M E -H 69 0B 5 -13,-3.1 -13,-2.3 -3,-0.5 2,-0.2 -0.749 28.5-124.2 -85.3 126.7 15.7 27.5 6.7 83 84 A D - 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0 0 95 -2,-0.3 -56,-0.3 -53,-0.2 -54,-0.1 -0.711 40.4 -88.9 -93.7 148.5 17.5 38.6 -11.4 104 105 A Q S S+ 0 0 137 -2,-0.3 2,-0.3 -58,-0.1 -1,-0.1 -0.327 102.4 14.1 -53.4 132.7 15.3 40.7 -13.6 105 106 A G E S+G 47 0B 24 -58,-2.6 -58,-2.2 2,-0.0 2,-0.2 -0.755 117.5 4.7 99.0-147.0 12.7 38.4 -15.1 106 107 A N E -G 46 0B 85 -2,-0.3 2,-0.4 -60,-0.2 -60,-0.2 -0.495 53.5-173.4 -82.5 144.2 12.1 34.8 -13.9 107 108 A N E -G 45 0B 0 -62,-1.7 -62,-3.0 -2,-0.2 2,-0.8 -0.999 21.3-136.7-133.6 129.3 13.7 33.2 -10.9 108 109 A V E -G 44 0B 40 -2,-0.4 -34,-3.0 -64,-0.2 2,-0.6 -0.792 25.3-171.2 -90.9 109.4 13.1 29.6 -10.0 109 110 A I E +GI 43 73B 1 -66,-2.9 -66,-2.6 -2,-0.8 2,-0.4 -0.914 5.6 179.7-111.1 118.6 12.5 29.4 -6.3 110 111 A R E -GI 42 72B 74 -38,-2.2 -38,-2.4 -2,-0.6 2,-0.5 -0.955 18.7-163.7-123.4 138.5 12.4 26.0 -4.6 111 112 A A E -GI 41 71B 1 -70,-2.5 -70,-1.6 -2,-0.4 2,-0.4 -0.974 18.0-168.6-118.9 113.5 11.9 24.9 -1.0 112 113 A T E -GI 40 70B 16 -42,-2.4 -42,-2.6 -2,-0.5 -72,-0.2 -0.885 23.1-118.8-111.1 130.2 13.0 21.3 -0.4 113 114 A A E - 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