==== 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 4KE7 . COMPND 2 MOLECULE: THERMOSTABLE MONOACYLGLYCEROL LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR S.RENGACHARI,P.ASCHAUER,K.GRUBER,I.DREVENY,M.OBERER . 487 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20418.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 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 . 29 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 3 1 0 2 2 0 0 2 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 0 2 4 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 4 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 0 0 0 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 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 0 222 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -17.6 11.5 1.8 8.6 2 2 A S - 0 0 91 1,-0.1 65,-0.0 66,-0.0 2,-0.0 -0.554 360.0 -83.4 -94.5 160.0 12.6 -1.2 10.8 3 3 A E - 0 0 54 -2,-0.2 -1,-0.1 1,-0.1 61,-0.0 -0.303 31.7-163.9 -60.5 139.9 14.6 -1.1 14.0 4 4 A Q + 0 0 137 57,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.625 67.1 66.3-101.3 -17.5 18.4 -1.1 13.4 5 5 A Y S S- 0 0 79 56,-0.1 56,-0.2 1,-0.1 3,-0.1 -0.787 85.1-107.8-108.8 151.4 19.5 -2.1 16.9 6 6 A P - 0 0 106 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.262 42.9 -87.3 -76.0 162.0 19.0 -5.5 18.7 7 7 A V - 0 0 59 1,-0.1 53,-0.2 3,-0.0 5,-0.1 -0.505 47.7-120.0 -69.2 129.8 16.6 -6.0 21.6 8 8 A L > - 0 0 70 51,-3.4 3,-2.4 -2,-0.3 4,-0.2 -0.347 33.7 -91.9 -68.6 148.4 18.3 -5.3 24.9 9 9 A S T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 50,-0.0 -0.420 117.6 22.5 -57.8 127.1 18.6 -8.0 27.6 10 10 A G T 3 S+ 0 0 19 -2,-0.1 -1,-0.3 -3,-0.1 24,-0.2 0.309 102.3 89.8 96.6 -9.3 15.5 -7.7 29.7 11 11 A A < + 0 0 0 -3,-2.4 -2,-0.1 48,-0.2 -3,-0.1 0.295 54.3 127.5-104.1 9.0 13.4 -5.9 27.1 12 12 A E - 0 0 84 -4,-0.2 47,-0.0 -5,-0.1 20,-0.0 -0.366 63.0-113.5 -66.2 141.2 12.0 -9.1 25.5 13 13 A P - 0 0 51 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.301 28.9-135.6 -68.4 161.7 8.2 -9.3 25.1 14 14 A F E +A 52 0A 44 38,-2.3 38,-2.9 2,-0.0 2,-0.4 -0.980 22.0 178.4-127.8 132.6 6.3 -11.9 27.1 15 15 A Y E +A 51 0A 103 -2,-0.4 2,-0.3 36,-0.2 36,-0.2 -0.992 2.4 177.4-132.4 141.9 3.5 -14.3 26.0 16 16 A A E -A 50 0A 18 34,-2.1 34,-2.6 -2,-0.4 2,-0.7 -0.946 17.0-150.1-146.4 123.7 1.6 -16.9 27.9 17 17 A E + 0 0 123 -2,-0.3 32,-0.1 32,-0.2 2,-0.1 -0.835 43.8 122.9 -98.0 114.7 -1.2 -19.1 26.6 18 18 A N - 0 0 90 -2,-0.7 30,-0.2 1,-0.4 31,-0.2 0.014 57.2 -4.5-132.7-117.5 -3.7 -20.1 29.3 19 19 A G S S- 0 0 24 28,-1.9 -1,-0.4 2,-0.2 30,-0.3 -0.032 73.5 -89.9 -84.7-174.3 -7.4 -19.6 29.6 20 20 A P S S+ 0 0 81 0, 0.0 69,-2.0 0, 0.0 70,-1.7 0.417 103.7 82.4 -78.7 -0.3 -10.1 -17.8 27.6 21 21 A V E -b 90 0A 21 26,-0.3 28,-2.6 67,-0.2 2,-0.3 -0.935 67.2-167.7-106.0 126.6 -9.6 -14.6 29.6 22 22 A G E -bc 91 49A 0 68,-3.0 70,-2.6 -2,-0.5 2,-0.4 -0.806 15.4-156.7-119.6 154.2 -6.7 -12.5 28.4 23 23 A V E -bc 92 50A 0 26,-2.1 28,-2.5 -2,-0.3 2,-0.5 -0.997 5.6-156.7-130.2 127.1 -4.8 -9.5 29.6 24 24 A L E -bc 93 51A 0 68,-2.8 70,-2.8 -2,-0.4 2,-0.5 -0.897 12.2-161.7-100.5 127.9 -2.8 -7.0 27.5 25 25 A L E -b 94 0A 0 26,-2.7 2,-0.5 -2,-0.5 70,-0.2 -0.959 2.9-163.8-117.0 127.6 -0.0 -5.2 29.3 26 26 A V E -b 95 0A 1 68,-2.3 70,-1.9 -2,-0.5 73,-0.1 -0.929 4.2-152.3-119.6 121.5 1.5 -2.0 27.9 27 27 A H - 0 0 0 -2,-0.5 2,-0.1 26,-0.4 3,-0.1 -0.158 25.7 -98.6 -79.8 177.8 4.8 -0.4 29.0 28 28 A G > - 0 0 6 4,-0.3 3,-1.4 70,-0.2 2,-0.2 -0.304 42.8 -62.5-101.9-178.9 5.7 3.2 28.8 29 29 A F T 3 S- 0 0 32 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.408 121.3 -0.6 -67.4 123.3 7.5 5.9 26.8 30 30 A T T 3 S+ 0 0 18 1,-0.2 125,-1.9 -2,-0.2 -1,-0.3 0.317 118.3 104.6 70.9 -3.2 11.3 5.1 26.6 31 31 A G < - 0 0 6 -3,-1.4 28,-0.3 123,-0.2 -1,-0.2 -0.035 58.4-141.9 -92.0-163.6 10.6 2.0 28.7 32 32 A T > - 0 0 2 121,-0.3 3,-1.8 26,-0.1 4,-0.4 -0.904 41.0 -79.6-150.7 172.2 10.4 -1.7 28.0 33 33 A P G >> S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 4,-1.3 0.726 114.0 82.1 -53.3 -20.8 8.4 -4.9 28.9 34 34 A H G 34 S+ 0 0 58 1,-0.3 3,-0.4 -24,-0.2 -23,-0.1 0.854 83.3 60.2 -51.0 -38.2 10.6 -5.0 32.1 35 35 A S G <4 S+ 0 0 2 -3,-1.8 -1,-0.3 1,-0.2 4,-0.1 0.799 116.1 30.4 -62.7 -29.0 8.3 -2.4 33.7 36 36 A M T X> S+ 0 0 0 -3,-1.4 4,-2.3 -4,-0.4 3,-0.6 0.496 90.4 99.5-110.6 -7.3 5.3 -4.7 33.4 37 37 A R H 3X S+ 0 0 43 -4,-1.3 4,-2.9 -3,-0.4 5,-0.3 0.841 78.3 54.2 -57.5 -42.9 6.8 -8.2 33.7 38 38 A P H 3> S+ 0 0 37 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.890 113.1 45.3 -61.3 -34.4 6.1 -8.9 37.3 39 39 A L H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.934 112.4 50.9 -67.7 -47.7 2.4 -8.2 36.7 40 40 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.898 111.3 47.8 -58.0 -42.9 2.4 -10.2 33.5 41 41 A E H X S+ 0 0 103 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.885 111.8 49.9 -68.5 -39.2 4.0 -13.2 35.3 42 42 A A H X S+ 0 0 29 -4,-1.7 4,-1.3 -5,-0.3 -2,-0.2 0.901 110.7 49.5 -64.5 -40.5 1.5 -13.0 38.2 43 43 A Y H <>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 -2,-0.2 0.885 111.2 49.2 -69.2 -35.4 -1.5 -12.9 35.8 44 44 A A H ><5S+ 0 0 16 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.897 108.2 53.1 -67.9 -40.2 -0.2 -15.9 33.8 45 45 A K H 3<5S+ 0 0 192 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.797 104.5 57.5 -65.2 -27.7 0.3 -17.9 37.0 46 46 A A T 3<5S- 0 0 56 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.470 128.6 -96.7 -82.3 -3.0 -3.3 -17.1 38.0 47 47 A G T < 5S+ 0 0 38 -3,-1.6 -28,-1.9 1,-0.3 -26,-0.3 0.431 78.5 134.9 105.6 0.6 -4.5 -18.7 34.7 48 48 A Y < - 0 0 30 -5,-2.2 2,-0.4 -30,-0.2 -1,-0.3 -0.557 59.3-119.4 -81.1 145.9 -4.9 -15.7 32.4 49 49 A T E - c 0 22A 3 -28,-2.6 -26,-2.1 -30,-0.3 2,-0.4 -0.709 42.2-156.7 -75.0 137.0 -3.7 -15.7 28.9 50 50 A V E -Ac 16 23A 0 -34,-2.6 -34,-2.1 -2,-0.4 2,-0.4 -0.957 24.0-174.2-131.9 136.8 -1.2 -12.8 28.8 51 51 A C E +Ac 15 24A 0 -28,-2.5 -26,-2.7 -2,-0.4 -36,-0.2 -0.967 8.0 170.4-131.2 116.5 0.3 -10.5 26.1 52 52 A L E -A 14 0A 0 -38,-2.9 -38,-2.3 -2,-0.4 -26,-0.1 -0.844 20.6-169.5-123.1 89.7 3.1 -8.1 27.0 53 53 A P - 0 0 6 0, 0.0 2,-0.6 0, 0.0 -26,-0.4 -0.325 23.9-120.7 -80.7 163.3 4.4 -6.7 23.7 54 54 A R - 0 0 50 -28,-0.1 3,-0.1 22,-0.1 -22,-0.1 -0.921 33.4-124.1-100.8 119.4 7.5 -4.6 23.1 55 55 A L > - 0 0 0 -2,-0.6 3,-2.1 1,-0.1 18,-0.1 -0.349 36.9 -92.9 -63.7 142.3 6.5 -1.2 21.6 56 56 A K T 3 S+ 0 0 55 16,-0.5 -1,-0.1 1,-0.3 3,-0.1 -0.253 112.4 17.9 -55.8 139.0 8.2 -0.5 18.3 57 57 A G T 3 S+ 0 0 0 1,-0.3 8,-0.4 -3,-0.1 2,-0.3 0.476 105.2 110.1 76.9 2.1 11.4 1.5 18.8 58 58 A H < + 0 0 0 -3,-2.1 -1,-0.3 1,-0.2 -26,-0.1 -0.833 68.8 22.6-110.6 149.3 11.6 0.6 22.5 59 59 A G S S+ 0 0 0 -28,-0.3 -51,-3.4 -2,-0.3 -1,-0.2 0.695 114.5 67.6 72.4 18.6 14.1 -1.8 24.2 60 60 A T S S- 0 0 7 -3,-0.3 2,-0.3 -53,-0.2 -1,-0.1 0.467 107.9 -41.9-125.2 -80.3 16.7 -1.3 21.4 61 61 A H >> - 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