==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-APR-11 3RM3 . COMPND 2 MOLECULE: THERMOSTABLE MONOACYLGLYCEROL LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR S.RENGACHARI,G.A.BEZERRA,K.GRUBER,M.OBERER . 246 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.3 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 . 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 . 15 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 1 1 0 1 1 0 0 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 1 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 1 A M 0 0 203 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -28.7 -7.1 1.6 -7.4 2 2 A S - 0 0 95 1,-0.1 2,-0.0 54,-0.0 54,-0.0 -0.412 360.0 -84.0 -86.0 163.4 -4.5 -1.1 -7.6 3 3 A E - 0 0 50 1,-0.1 -1,-0.1 -2,-0.1 61,-0.0 -0.367 29.6-157.7 -63.0 144.1 -0.8 -0.7 -8.4 4 4 A Q S S+ 0 0 139 57,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.664 70.6 66.9 -97.5 -20.5 0.0 -0.6 -12.1 5 5 A Y S S- 0 0 83 56,-0.1 56,-0.2 1,-0.1 3,-0.1 -0.718 85.8-107.3-103.8 154.2 3.7 -1.7 -11.8 6 6 A P - 0 0 104 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.312 42.8 -89.4 -74.0 157.8 5.1 -5.1 -10.8 7 7 A V - 0 0 61 1,-0.1 53,-0.2 -2,-0.0 52,-0.1 -0.523 47.1-119.2 -67.4 128.0 6.8 -5.7 -7.5 8 8 A L > - 0 0 67 51,-3.1 3,-2.2 -2,-0.3 4,-0.2 -0.325 34.4 -91.5 -64.6 147.3 10.6 -5.1 -7.7 9 9 A S T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 50,-0.0 -0.422 117.1 22.8 -58.4 128.4 13.0 -7.9 -7.0 10 10 A G T 3 S+ 0 0 22 -2,-0.1 -1,-0.3 -3,-0.1 24,-0.2 0.279 101.7 90.9 95.7 -9.0 13.9 -7.7 -3.3 11 11 A A < + 0 0 0 -3,-2.2 -2,-0.1 48,-0.2 -3,-0.1 0.265 53.1 127.1-103.0 10.1 10.7 -5.9 -2.3 12 12 A E - 0 0 84 -4,-0.2 47,-0.0 -5,-0.1 20,-0.0 -0.377 63.1-112.2 -69.3 143.1 8.5 -8.9 -1.6 13 13 A P - 0 0 51 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.276 27.9-138.6 -66.6 165.7 6.7 -9.1 1.8 14 14 A F E +A 52 0A 46 38,-2.1 38,-3.0 2,-0.0 2,-0.4 -0.997 21.2 176.5-133.1 130.8 7.8 -11.7 4.3 15 15 A Y E +A 51 0A 110 -2,-0.4 2,-0.3 36,-0.2 36,-0.2 -0.990 1.7 179.4-130.8 140.8 5.6 -13.9 6.5 16 16 A A E -A 50 0A 17 34,-2.3 34,-2.4 -2,-0.4 2,-0.7 -0.960 16.3-151.5-143.0 125.9 6.6 -16.6 8.9 17 17 A E + 0 0 130 -2,-0.3 32,-0.1 32,-0.2 2,-0.1 -0.855 43.6 126.0 -96.8 113.9 4.3 -18.7 11.1 18 18 A N - 0 0 90 -2,-0.7 30,-0.2 1,-0.5 31,-0.1 0.077 58.1 -5.8-130.2-117.0 6.0 -19.8 14.2 19 19 A G S S- 0 0 26 28,-2.1 -1,-0.5 2,-0.2 30,-0.3 -0.050 75.9 -89.3 -84.5-174.1 5.1 -19.4 17.9 20 20 A P S S+ 0 0 85 0, 0.0 69,-1.9 0, 0.0 70,-1.5 0.442 102.9 82.7 -81.0 0.9 2.3 -17.5 19.6 21 21 A V E -b 90 0A 28 26,-0.3 28,-2.4 67,-0.2 2,-0.3 -0.936 67.1-165.1-106.3 126.1 4.3 -14.3 19.9 22 22 A G E -bc 91 49A 0 68,-3.0 70,-2.5 -2,-0.5 2,-0.4 -0.802 14.9-157.0-115.5 153.3 4.2 -12.1 16.8 23 23 A V E -bc 92 50A 0 26,-2.3 28,-2.4 -2,-0.3 2,-0.5 -0.995 5.2-157.4-129.0 126.6 6.2 -9.2 15.5 24 24 A L E -bc 93 51A 0 68,-2.7 70,-2.8 -2,-0.4 2,-0.5 -0.900 12.5-161.4 -98.3 127.6 5.0 -6.8 12.8 25 25 A L E -b 94 0A 0 26,-2.7 2,-0.5 -2,-0.5 70,-0.2 -0.957 2.3-162.6-116.8 128.0 7.8 -5.0 11.0 26 26 A V E -b 95 0A 0 68,-2.4 70,-1.9 -2,-0.5 73,-0.1 -0.932 4.5-151.9-117.8 122.2 7.1 -1.8 9.1 27 27 A H - 0 0 0 -2,-0.5 2,-0.1 26,-0.4 3,-0.1 -0.195 25.4 -99.4 -81.5 178.4 9.4 -0.3 6.4 28 28 A G > - 0 0 7 4,-0.3 3,-1.4 70,-0.2 2,-0.2 -0.274 43.7 -61.9-103.1-178.4 9.7 3.4 5.5 29 29 A F T 3 S- 0 0 33 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.454 120.9 -1.2 -70.5 126.3 8.6 6.0 3.0 30 30 A T T 3 S+ 0 0 18 1,-0.3 127,-2.1 -2,-0.2 -1,-0.3 0.291 118.2 104.2 68.7 -3.2 9.7 5.2 -0.6 31 31 A G < - 0 0 6 -3,-1.4 28,-0.3 125,-0.2 -1,-0.3 -0.051 58.5-142.3 -91.5-163.3 11.4 2.1 0.8 32 32 A T > - 0 0 2 123,-0.3 3,-1.7 26,-0.1 4,-0.3 -0.898 40.0 -78.9-151.8 174.1 10.5 -1.6 0.8 33 33 A P G >> S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-1.4 0.742 112.6 82.7 -55.6 -22.2 10.6 -4.7 2.9 34 34 A H G 34 S+ 0 0 58 1,-0.3 3,-0.4 2,-0.2 -23,-0.1 0.856 84.1 57.5 -49.9 -39.3 14.3 -5.0 2.1 35 35 A S G <4 S+ 0 0 2 -3,-1.7 -1,-0.3 1,-0.2 4,-0.1 0.689 116.8 33.0 -71.1 -16.3 15.1 -2.5 4.8 36 36 A M T X> S+ 0 0 0 -3,-1.9 4,-2.4 -4,-0.3 3,-0.5 0.467 91.1 97.5-110.8 -6.6 13.5 -4.7 7.5 37 37 A R H 3X S+ 0 0 42 -4,-1.4 4,-2.7 -3,-0.4 5,-0.3 0.851 79.1 53.8 -59.8 -41.5 14.2 -8.1 6.1 38 38 A P H 3> S+ 0 0 35 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.900 112.7 45.7 -62.7 -35.0 17.3 -8.9 8.2 39 39 A L H <> S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.938 112.3 50.8 -66.1 -47.9 15.4 -8.2 11.4 40 40 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.907 111.6 47.3 -57.0 -45.3 12.4 -10.2 10.2 41 41 A E H X S+ 0 0 100 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.899 112.1 49.9 -66.1 -39.0 14.5 -13.2 9.4 42 42 A A H X S+ 0 0 29 -4,-1.8 4,-1.4 -5,-0.3 -2,-0.2 0.915 111.4 48.3 -65.5 -41.6 16.4 -13.0 12.7 43 43 A Y H <>S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 -2,-0.2 0.908 111.6 49.8 -68.5 -37.8 13.1 -12.8 14.6 44 44 A A H ><5S+ 0 0 13 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.917 108.9 51.9 -63.1 -43.3 11.6 -15.8 12.7 45 45 A K H 3<5S+ 0 0 189 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.791 104.6 58.2 -63.3 -27.7 14.8 -17.8 13.4 46 46 A A T 3<5S- 0 0 56 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.451 128.9 -97.0 -80.0 -2.9 14.3 -16.9 17.1 47 47 A G T < 5S+ 0 0 38 -3,-1.8 -28,-2.1 1,-0.3 -26,-0.3 0.428 78.8 135.2 105.1 -0.6 10.9 -18.5 17.0 48 48 A Y < - 0 0 31 -5,-2.3 2,-0.3 -30,-0.2 -1,-0.3 -0.542 58.5-120.8 -80.8 146.4 8.6 -15.5 16.5 49 49 A T E - c 0 22A 4 -28,-2.4 -26,-2.3 -30,-0.3 2,-0.4 -0.692 41.7-161.0 -75.2 137.7 5.7 -15.3 14.1 50 50 A V E -Ac 16 23A 0 -34,-2.4 -34,-2.3 -2,-0.3 2,-0.4 -0.973 23.6-172.8-133.7 140.0 6.6 -12.5 11.8 51 51 A C E +Ac 15 24A 0 -28,-2.4 -26,-2.7 -2,-0.4 -36,-0.2 -0.971 7.6 172.2-132.8 119.3 4.8 -10.2 9.4 52 52 A L E -A 14 0A 0 -38,-3.0 -38,-2.1 -2,-0.4 -26,-0.1 -0.856 20.5-167.3-125.4 88.7 6.7 -7.8 7.2 53 53 A P - 0 0 7 0, 0.0 2,-0.6 0, 0.0 -26,-0.4 -0.304 23.5-120.9 -77.4 162.5 4.2 -6.3 4.7 54 54 A R - 0 0 52 -22,-0.1 3,-0.1 -28,-0.1 -22,-0.1 -0.916 35.4-123.7 -97.0 119.3 4.8 -4.3 1.6 55 55 A L > - 0 0 1 -2,-0.6 3,-2.4 1,-0.1 18,-0.1 -0.373 36.2 -91.8 -62.8 142.3 3.2 -0.9 2.0 56 56 A K T 3 S+ 0 0 45 16,-0.4 -1,-0.1 1,-0.3 3,-0.1 -0.241 113.4 16.6 -53.4 138.8 0.7 -0.0 -0.8 57 57 A G T 3 S+ 0 0 0 1,-0.3 8,-0.4 -3,-0.1 3,-0.3 0.445 106.0 109.7 77.9 -1.3 2.4 1.9 -3.5 58 58 A H < + 0 0 0 -3,-2.4 -1,-0.3 1,-0.2 -26,-0.1 -0.785 68.4 23.6-109.3 150.4 5.8 0.8 -2.4 59 59 A G S S+ 0 0 0 -28,-0.3 -51,-3.1 -2,-0.3 -1,-0.2 0.686 113.9 67.1 72.8 16.9 8.2 -1.6 -4.0 60 60 A T S S- 0 0 7 -3,-0.3 2,-0.3 -53,-0.2 -1,-0.1 0.481 108.0 -43.3-125.2 -81.5 6.7 -1.0 -7.5 61 61 A H >> - 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