==== 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 4KE9 . COMPND 2 MOLECULE: THERMOSTABLE MONOACYLGLYCEROL LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR S.RENGACHARI,P.ASCHAUER,K.GRUBER,I.DREVENY,M.OBERER . 987 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 681 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 118 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 3.2 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 . 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 . 70 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 1 1 3 3 5 1 0 3 0 0 4 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 0 4 0 3 9 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 . 0 0 8 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 4 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 3 A E 0 0 98 0, 0.0 61,-0.1 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 113.1 0.5 -5.8 3.8 2 4 A Q + 0 0 132 57,-0.1 60,-0.0 2,-0.1 0, 0.0 0.522 360.0 79.3-104.9 -8.3 1.7 -8.5 1.3 3 5 A Y S S- 0 0 88 56,-0.1 56,-0.1 1,-0.1 2,-0.1 -0.711 80.2-102.1-103.7 151.5 -0.2 -11.7 1.9 4 6 A P - 0 0 104 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.434 41.6-102.0 -71.2 146.0 -3.7 -12.7 0.8 5 7 A V - 0 0 49 -2,-0.1 53,-0.2 1,-0.1 5,-0.1 -0.514 43.5-113.9 -67.1 128.9 -6.6 -12.6 3.3 6 8 A L > - 0 0 78 51,-3.6 3,-2.1 -2,-0.3 2,-0.4 -0.183 38.6 -86.2 -61.3 155.6 -7.4 -16.1 4.5 7 9 A S T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 50,-0.0 -0.520 120.0 19.9 -65.1 119.6 -10.7 -17.7 3.7 8 10 A G T 3 S+ 0 0 23 -2,-0.4 -1,-0.3 -3,-0.1 27,-0.1 0.427 102.1 93.0 98.3 1.9 -13.2 -16.6 6.4 9 11 A A < + 0 0 0 -3,-2.1 -2,-0.1 48,-0.2 -3,-0.1 0.291 54.9 120.3-107.8 7.1 -11.1 -13.6 7.4 10 12 A E S S- 0 0 85 -4,-0.2 47,-0.0 -5,-0.1 20,-0.0 -0.387 70.7-103.6 -70.1 148.7 -12.8 -11.1 5.0 11 13 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.303 33.9-141.9 -66.3 158.4 -14.5 -8.0 6.5 12 14 A F E +A 50 0A 41 38,-2.9 38,-3.4 2,-0.0 2,-0.3 -0.979 19.5 178.3-131.4 124.5 -18.3 -8.1 6.8 13 15 A Y E +A 49 0A 91 -2,-0.4 2,-0.3 36,-0.2 36,-0.2 -0.864 5.6 179.1-119.1 158.6 -20.7 -5.2 6.2 14 16 A A E -A 48 0A 16 34,-1.7 34,-1.2 -2,-0.3 2,-0.9 -0.839 14.2-157.0-158.4 118.1 -24.5 -4.9 6.3 15 17 A E + 0 0 133 -2,-0.3 32,-0.1 32,-0.2 31,-0.1 -0.814 44.8 122.0-100.2 99.5 -26.6 -1.8 5.7 16 18 A N + 0 0 89 -2,-0.9 30,-0.2 1,-0.4 31,-0.1 0.301 58.2 7.3-118.6-111.7 -30.0 -2.3 7.3 17 19 A G S S- 0 0 22 28,-2.1 -1,-0.4 2,-0.2 30,-0.2 -0.037 76.8 -97.7 -72.6 177.5 -31.7 -0.2 10.0 18 20 A P S S+ 0 0 81 0, 0.0 69,-1.9 0, 0.0 70,-1.2 0.403 101.6 85.8 -78.4 0.4 -30.7 3.1 11.5 19 21 A V E -b 88 0A 24 26,-0.3 28,-2.6 67,-0.2 2,-0.3 -0.920 67.8-158.1-106.2 128.7 -29.1 1.4 14.5 20 22 A G E -bc 89 47A 0 68,-3.3 70,-3.3 -2,-0.5 2,-0.5 -0.810 13.4-162.2-114.4 146.1 -25.5 0.2 14.0 21 23 A V E -bc 90 48A 0 26,-3.0 28,-2.3 -2,-0.3 2,-0.6 -0.977 7.2-157.4-126.4 120.8 -23.3 -2.4 15.7 22 24 A L E -bc 91 49A 0 68,-3.2 70,-3.4 -2,-0.5 2,-0.5 -0.853 10.5-162.6 -96.3 122.9 -19.5 -2.4 15.3 23 25 A L E -b 92 0A 0 26,-2.5 2,-0.5 -2,-0.6 70,-0.2 -0.921 3.0-166.5-110.4 125.1 -17.8 -5.8 15.9 24 26 A V E -b 93 0A 0 68,-2.4 70,-1.8 -2,-0.5 73,-0.1 -0.937 7.5-150.2-115.9 122.4 -14.1 -5.9 16.7 25 27 A H - 0 0 0 -2,-0.5 3,-0.1 26,-0.5 2,-0.1 -0.194 26.8 -94.9 -81.1 179.5 -12.2 -9.2 16.6 26 28 A G > - 0 0 6 4,-0.3 3,-1.1 70,-0.2 2,-0.1 -0.197 44.9 -61.5 -99.6-178.4 -9.1 -10.0 18.7 27 29 A F T 3 S- 0 0 29 1,-0.3 -1,-0.2 67,-0.1 3,-0.1 -0.397 121.2 -4.9 -64.2 127.8 -5.3 -10.0 18.7 28 30 A T T 3 S+ 0 0 18 1,-0.2 129,-1.5 -2,-0.1 -1,-0.3 0.334 117.9 112.2 65.3 -5.6 -3.9 -12.3 16.0 29 31 A G < - 0 0 6 -3,-1.1 28,-0.3 127,-0.2 -1,-0.2 -0.064 59.3-132.3 -86.3-172.1 -7.5 -13.3 15.3 30 32 A T > - 0 0 2 125,-0.3 3,-1.7 26,-0.1 -4,-0.3 -0.877 34.3 -95.7-136.6 165.3 -9.8 -12.7 12.3 31 33 A P G >> S+ 0 0 2 0, 0.0 3,-1.1 0, 0.0 4,-1.0 0.615 108.0 88.9 -56.4 -11.9 -13.4 -11.5 11.8 32 34 A H G 34 S+ 0 0 61 1,-0.3 3,-0.2 2,-0.2 -23,-0.1 0.802 82.2 54.3 -56.2 -32.7 -14.2 -15.2 11.7 33 35 A S G <4 S+ 0 0 1 -3,-1.7 -1,-0.3 1,-0.2 4,-0.2 0.722 114.2 39.8 -76.4 -21.6 -14.8 -15.1 15.5 34 36 A M T <> S+ 0 0 0 -3,-1.1 4,-2.3 -4,-0.3 3,-0.3 0.486 90.8 93.9-103.1 -6.9 -17.3 -12.3 15.2 35 37 A R H X S+ 0 0 75 -4,-1.0 4,-2.3 1,-0.2 5,-0.2 0.879 81.1 50.2 -59.7 -47.2 -19.1 -13.5 12.1 36 38 A P H > S+ 0 0 37 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.859 113.7 48.4 -62.2 -32.0 -22.0 -15.5 13.7 37 39 A L H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.924 109.7 51.5 -68.4 -46.3 -22.7 -12.5 15.9 38 40 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.866 111.4 47.5 -59.6 -39.5 -22.6 -10.0 13.0 39 41 A E H X S+ 0 0 99 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.886 111.4 50.1 -69.9 -40.2 -25.1 -12.2 11.0 40 42 A A H X S+ 0 0 24 -4,-1.7 4,-1.1 -5,-0.2 -2,-0.2 0.863 114.3 45.1 -65.6 -36.8 -27.5 -12.6 13.9 41 43 A Y H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 -2,-0.2 0.852 112.5 51.6 -74.8 -35.6 -27.4 -8.8 14.4 42 44 A A H ><5S+ 0 0 15 -4,-2.0 3,-1.1 -5,-0.2 -2,-0.2 0.875 108.3 50.9 -67.9 -38.9 -27.8 -8.2 10.7 43 45 A K H 3<5S+ 0 0 192 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.826 102.5 61.3 -67.6 -31.0 -30.8 -10.5 10.5 44 46 A A T 3<5S- 0 0 56 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.531 128.0 -97.9 -74.2 -5.9 -32.4 -8.6 13.5 45 47 A G T < 5S+ 0 0 36 -3,-1.1 -28,-2.1 1,-0.3 -26,-0.3 0.491 79.7 136.3 103.6 6.6 -32.4 -5.5 11.3 46 48 A Y < - 0 0 28 -5,-2.2 2,-0.6 -30,-0.2 -1,-0.3 -0.631 57.2-122.9 -87.6 143.5 -29.2 -3.9 12.6 47 49 A T E - c 0 20A 2 -28,-2.6 -26,-3.0 -2,-0.3 2,-0.4 -0.756 38.9-164.7 -79.6 122.3 -26.5 -2.3 10.4 48 50 A V E -Ac 14 21A 0 -34,-1.2 -34,-1.7 -2,-0.6 2,-0.4 -0.872 20.9-166.2-118.1 146.0 -23.3 -4.1 11.2 49 51 A C E +Ac 13 22A 0 -28,-2.3 -26,-2.5 -2,-0.4 -36,-0.2 -0.946 8.1 176.0-128.6 111.5 -19.6 -3.4 10.5 50 52 A L E -A 12 0A 0 -38,-3.4 -38,-2.9 -2,-0.4 -26,-0.1 -0.809 18.4-171.2-113.6 87.3 -17.2 -6.3 11.0 51 53 A P - 0 0 7 0, 0.0 2,-0.7 0, 0.0 -26,-0.5 -0.370 25.0-121.8 -78.7 156.4 -13.8 -4.9 9.9 52 54 A R - 0 0 56 -28,-0.1 3,-0.1 -2,-0.1 4,-0.1 -0.898 34.1-122.9 -96.7 112.8 -10.6 -6.8 9.5 53 55 A L > - 0 0 0 -2,-0.7 3,-2.1 1,-0.1 18,-0.1 -0.212 38.1 -90.3 -54.4 141.5 -7.9 -5.3 11.8 54 56 A K T 3 S+ 0 0 76 16,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.303 113.1 15.9 -58.6 132.0 -4.8 -4.2 9.9 55 57 A G T 3 S+ 0 0 0 1,-0.3 8,-0.4 -3,-0.1 3,-0.3 0.366 106.0 111.4 85.8 -4.8 -2.2 -6.9 9.7 56 58 A H < + 0 0 0 -3,-2.1 -1,-0.3 1,-0.2 -26,-0.1 -0.698 63.2 27.7-102.9 154.6 -4.7 -9.6 10.6 57 59 A G S S+ 0 0 0 -28,-0.3 -51,-3.6 -2,-0.3 -1,-0.2 0.500 113.9 62.4 80.6 4.6 -6.2 -12.4 8.6 58 60 A T S S- 0 0 9 -3,-0.3 2,-0.3 -53,-0.2 -1,-0.1 0.591 108.1 -35.6-119.9 -84.9 -3.1 -12.6 6.3 59 61 A H >> - 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