==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-APR-13 4KE6 . COMPND 2 MOLECULE: THERMOSTABLE MONOACYLGLYCEROL LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR S.RENGACHARI,P.ASCHAUER,K.GRUBER,I.DREVENY,M.OBERER . 1417 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56355.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 975 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 170 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 4.2 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 . 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 . 1 0.1 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 . 97 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 421 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 1 5 1 0 3 8 3 0 4 0 0 6 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 6 1 4 13 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 10 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 3 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 M 0 0 100 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 150.7 -15.3 39.1 -2.2 2 2 A S - 0 0 93 54,-0.0 54,-0.0 55,-0.0 66,-0.0 -0.981 360.0 -91.5-147.8 129.0 -13.3 40.0 -5.3 3 3 A E - 0 0 41 -2,-0.4 4,-0.1 1,-0.1 61,-0.0 0.077 27.5-160.0 -29.8 133.6 -9.6 40.7 -5.8 4 4 A Q S S+ 0 0 138 57,-0.1 -1,-0.1 2,-0.1 0, 0.0 0.608 71.2 68.4 -99.8 -14.0 -8.8 44.4 -5.3 5 5 A Y S S- 0 0 80 56,-0.1 56,-0.2 1,-0.1 52,-0.1 -0.803 88.2-106.7-110.1 148.8 -5.5 44.2 -7.2 6 6 A P - 0 0 97 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.261 40.8 -93.7 -72.4 154.0 -5.0 43.5 -10.9 7 7 A V - 0 0 66 1,-0.1 2,-0.2 -4,-0.1 53,-0.2 -0.501 44.5-126.5 -68.1 138.0 -3.7 40.2 -12.3 8 8 A L > - 0 0 88 51,-2.8 3,-2.2 -2,-0.2 4,-0.2 -0.573 26.8 -94.3 -91.7 148.9 0.1 40.3 -12.8 9 9 A S T 3 S+ 0 0 109 1,-0.3 -1,-0.1 -2,-0.2 50,-0.0 -0.366 114.5 28.3 -59.2 127.1 1.9 39.4 -16.0 10 10 A G T 3 S+ 0 0 22 -2,-0.1 -1,-0.3 3,-0.1 24,-0.2 0.200 102.5 83.6 105.0 -15.3 2.9 35.7 -15.9 11 11 A A < + 0 0 0 -3,-2.2 -2,-0.1 48,-0.2 -3,-0.1 0.317 58.8 129.0-103.1 5.3 -0.0 34.7 -13.7 12 12 A E - 0 0 82 -4,-0.2 2,-0.1 1,-0.1 47,-0.0 -0.273 62.7-112.3 -60.5 144.9 -2.7 34.4 -16.5 13 13 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.365 29.4-134.1 -70.3 159.1 -4.7 31.2 -16.6 14 14 A F E +A 52 0A 45 38,-2.3 38,-3.2 -2,-0.1 2,-0.4 -0.978 23.7 178.4-125.1 130.1 -4.1 28.9 -19.6 15 15 A Y E -A 51 0A 109 -2,-0.4 2,-0.3 36,-0.2 36,-0.2 -0.968 3.1-179.9-127.3 141.3 -6.8 27.3 -21.7 16 16 A A E -A 50 0A 14 34,-2.4 34,-2.4 -2,-0.4 2,-0.8 -0.937 15.2-153.5-144.0 122.3 -6.5 25.1 -24.8 17 17 A E + 0 0 133 -2,-0.3 32,-0.1 32,-0.2 2,-0.1 -0.862 47.0 116.4 -96.8 109.9 -9.3 23.5 -26.8 18 18 A N + 0 0 92 -2,-0.8 30,-0.2 1,-0.5 31,-0.1 -0.022 61.4 5.0-131.5-112.1 -8.1 20.3 -28.5 19 19 A G S S- 0 0 23 28,-2.0 -1,-0.5 2,-0.2 30,-0.4 -0.069 74.1 -97.0 -82.7 178.4 -9.3 16.7 -28.0 20 20 A P S S+ 0 0 81 0, 0.0 69,-2.1 0, 0.0 70,-1.5 0.360 101.2 83.4 -76.0 -1.4 -12.1 15.2 -25.9 21 21 A V E -b 90 0A 27 26,-0.3 28,-2.1 67,-0.2 2,-0.3 -0.943 68.3-161.4-105.4 125.9 -9.8 14.3 -23.1 22 22 A G E -bc 91 49A 0 68,-3.2 70,-2.8 -2,-0.5 2,-0.4 -0.782 13.3-156.8-114.7 150.1 -9.1 17.1 -20.7 23 23 A V E -bc 92 50A 0 26,-2.1 28,-2.8 -2,-0.3 2,-0.5 -0.989 5.6-158.1-123.4 126.2 -6.4 17.9 -18.1 24 24 A L E -bc 93 51A 0 68,-2.6 70,-3.0 -2,-0.4 2,-0.5 -0.902 11.0-162.4-100.4 127.1 -6.9 20.3 -15.2 25 25 A L E -b 94 0A 0 26,-2.7 2,-0.5 -2,-0.5 70,-0.2 -0.927 2.3-163.5-116.2 128.1 -3.7 21.7 -13.7 26 26 A V E -b 95 0A 1 68,-2.1 70,-2.1 -2,-0.5 73,-0.1 -0.928 4.0-153.4-117.7 123.3 -3.7 23.3 -10.3 27 27 A H - 0 0 0 -2,-0.5 75,-0.1 26,-0.4 2,-0.1 -0.198 24.9 -99.3 -85.3-178.5 -1.0 25.5 -8.9 28 28 A G > - 0 0 9 4,-0.3 3,-1.6 1,-0.1 2,-0.2 -0.303 42.2 -58.9-107.2-177.9 -0.0 26.1 -5.3 29 29 A F T 3 S- 0 0 36 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.369 121.6 -3.8 -63.2 120.1 -0.3 28.2 -2.2 30 30 A T T 3 S+ 0 0 17 1,-0.2 128,-2.0 -2,-0.2 -1,-0.3 0.371 117.2 109.4 70.6 -2.8 1.0 31.8 -2.9 31 31 A G < - 0 0 4 -3,-1.6 28,-0.2 126,-0.2 -1,-0.2 -0.106 57.5-138.8 -88.7-168.6 2.0 30.6 -6.3 32 32 A T > - 0 0 5 124,-0.5 3,-1.4 26,-0.1 -4,-0.3 -0.843 39.8 -85.2-141.8 172.5 0.6 31.3 -9.8 33 33 A P G >> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 3,-1.4 0.668 110.6 85.9 -54.7 -18.7 -0.1 29.3 -13.1 34 34 A H G 34 S+ 0 0 58 1,-0.3 3,-0.1 -24,-0.2 -23,-0.1 0.824 82.4 56.6 -49.3 -40.8 3.6 29.9 -14.0 35 35 A S G <4 S+ 0 0 1 -3,-1.4 -1,-0.3 121,-0.2 4,-0.1 0.729 115.8 35.2 -67.9 -25.2 4.6 26.8 -12.0 36 36 A M T X> S+ 0 0 0 -3,-1.4 4,-2.2 -4,-0.3 3,-0.6 0.535 90.5 96.0-106.3 -7.8 2.3 24.5 -14.0 37 37 A R H 3X S+ 0 0 44 -4,-1.4 4,-2.8 1,-0.2 5,-0.3 0.861 79.9 53.1 -55.9 -44.6 2.5 26.1 -17.5 38 38 A P H 3> S+ 0 0 41 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.880 111.8 47.9 -62.5 -32.3 5.2 23.9 -19.0 39 39 A L H <> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 5,-0.2 0.958 111.8 49.9 -68.8 -47.6 3.1 20.8 -18.1 40 40 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.893 112.1 47.0 -56.9 -44.2 -0.0 22.4 -19.5 41 41 A E H X S+ 0 0 102 -4,-2.8 4,-3.3 2,-0.2 -1,-0.2 0.901 110.5 51.4 -67.1 -42.3 1.7 23.3 -22.8 42 42 A A H X S+ 0 0 28 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.891 113.4 45.7 -59.6 -42.1 3.3 19.9 -23.2 43 43 A Y H <>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 4,-0.3 0.865 113.1 50.0 -70.0 -37.7 -0.2 18.3 -22.7 44 44 A A H ><5S+ 0 0 16 -4,-2.3 3,-1.7 -5,-0.2 -2,-0.2 0.930 108.8 52.0 -62.4 -43.6 -1.7 20.8 -25.1 45 45 A K H 3<5S+ 0 0 189 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.815 103.6 59.4 -64.3 -28.0 1.0 20.0 -27.7 46 46 A A T 3<5S- 0 0 57 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.566 127.6 -97.8 -79.0 -8.7 0.1 16.3 -27.2 47 47 A G T < 5S+ 0 0 37 -3,-1.7 -28,-2.0 -4,-0.3 -26,-0.3 0.527 77.4 137.6 106.6 10.1 -3.5 17.1 -28.3 48 48 A Y < - 0 0 33 -5,-2.2 2,-0.4 -30,-0.2 -1,-0.3 -0.609 58.5-118.5 -86.9 144.7 -5.2 17.4 -24.9 49 49 A T E - c 0 22A 4 -28,-2.1 -26,-2.1 -30,-0.4 2,-0.4 -0.712 42.9-156.9 -73.9 133.5 -7.8 20.0 -24.0 50 50 A V E -Ac 16 23A 0 -34,-2.4 -34,-2.4 -2,-0.4 2,-0.4 -0.943 23.9-175.2-128.2 135.9 -6.2 21.9 -21.2 51 51 A C E +Ac 15 24A 0 -28,-2.8 -26,-2.7 -2,-0.4 -36,-0.2 -0.954 6.9 171.6-130.5 116.4 -7.4 24.0 -18.3 52 52 A L E -A 14 0A 0 -38,-3.2 -38,-2.3 -2,-0.4 -26,-0.1 -0.861 20.9-165.4-121.4 91.4 -4.9 25.8 -16.0 53 53 A P - 0 0 7 0, 0.0 2,-0.6 0, 0.0 -26,-0.4 -0.186 20.5-121.4 -77.8 164.3 -6.8 28.2 -13.7 54 54 A R - 0 0 48 22,-0.1 3,-0.1 -28,-0.1 -22,-0.1 -0.954 30.9-125.4-103.3 121.9 -5.7 31.0 -11.4 55 55 A L > - 0 0 2 -2,-0.6 3,-2.0 1,-0.1 18,-0.1 -0.342 37.5 -92.9 -64.4 140.9 -6.6 30.5 -7.8 56 56 A K T 3 S+ 0 0 51 16,-0.4 -1,-0.1 1,-0.3 3,-0.1 -0.294 111.5 15.2 -56.6 136.0 -8.5 33.4 -6.2 57 57 A G T 3 S+ 0 0 0 1,-0.3 8,-0.5 -52,-0.1 3,-0.3 0.455 105.7 112.1 78.7 0.7 -6.3 35.9 -4.5 58 58 A H S < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.2 -26,-0.1 -0.810 71.0 19.7-108.1 146.4 -3.3 34.5 -6.2 59 59 A G S S+ 0 0 1 -2,-0.3 -51,-2.8 -28,-0.2 -1,-0.2 0.641 116.7 67.8 73.6 16.1 -1.2 36.2 -8.9 60 60 A T S S- 0 0 7 -3,-0.3 2,-0.3 -53,-0.2 -1,-0.1 0.542 110.3 -40.9-122.7 -78.1 -2.5 39.6 -7.8 61 61 A H >> - 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