==== 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 4KEA . COMPND 2 MOLECULE: THERMOSTABLE MONOACYLGLYCEROL LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR S.RENGACHARI,P.ASCHAUER,K.GRUBER,I.DREVENY,M.OBERER . 1462 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 989 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 168 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 4.0 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 . 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 . 94 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 164 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 429 29.3 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 3 5 1 0 6 7 2 0 4 0 0 5 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 6 0 6 12 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 . 2 0 12 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 0 4 0 0 0 0 0 0 0 1 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 S 0 0 134 0, 0.0 2,-0.2 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 128.1 33.2 -40.3 -4.5 2 3 A E - 0 0 47 1,-0.1 61,-0.0 2,-0.0 53,-0.0 -0.442 360.0-168.1 -67.1 134.8 29.5 -40.8 -5.6 3 4 A Q + 0 0 132 -2,-0.2 -1,-0.1 57,-0.1 59,-0.0 0.585 66.6 67.8 -99.0 -15.0 28.4 -44.4 -5.2 4 5 A Y S S- 0 0 79 56,-0.1 56,-0.2 1,-0.0 52,-0.1 -0.815 85.1-109.8-111.4 148.1 25.2 -44.0 -7.1 5 6 A P - 0 0 64 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.353 39.9 -95.7 -73.7 153.4 24.6 -43.3 -10.9 6 7 A V - 0 0 34 251,-0.1 251,-2.7 1,-0.1 53,-0.2 -0.480 43.5-127.4 -68.6 138.1 23.3 -39.9 -12.2 7 8 A L B > -A 256 0A 35 51,-2.8 3,-2.1 249,-0.3 249,-0.2 -0.549 26.3 -92.7 -92.3 149.6 19.5 -40.0 -12.7 8 9 A S T 3 S+ 0 0 41 247,-2.7 -1,-0.1 1,-0.3 247,-0.1 -0.401 115.2 27.1 -59.3 126.7 17.7 -39.0 -15.9 9 10 A G T 3 S+ 0 0 21 -2,-0.1 -1,-0.3 3,-0.1 24,-0.2 0.164 103.8 82.7 104.7 -15.7 16.7 -35.3 -15.6 10 11 A A < + 0 0 0 -3,-2.1 -2,-0.1 48,-0.2 -3,-0.1 0.308 60.0 127.1-102.9 4.7 19.6 -34.4 -13.3 11 12 A E - 0 0 45 -4,-0.2 47,-0.0 1,-0.1 20,-0.0 -0.333 63.9-111.6 -61.1 145.2 22.3 -34.0 -16.0 12 13 A P - 0 0 46 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.339 30.2-135.3 -70.1 159.3 24.3 -30.9 -16.1 13 14 A F E -B 51 0B 46 38,-2.2 38,-3.0 2,-0.0 2,-0.4 -0.977 21.8-179.4-124.9 130.0 23.7 -28.6 -19.1 14 15 A Y E +B 50 0B 110 -2,-0.4 2,-0.3 36,-0.2 36,-0.2 -0.980 4.1 178.1-127.6 141.0 26.4 -26.8 -21.2 15 16 A A E -B 49 0B 17 34,-2.4 34,-2.5 -2,-0.4 2,-0.7 -0.937 15.3-153.9-143.8 122.2 26.0 -24.5 -24.2 16 17 A E + 0 0 126 -2,-0.3 32,-0.1 32,-0.2 31,-0.1 -0.843 44.1 121.3 -96.3 111.6 28.9 -22.8 -26.1 17 18 A N + 0 0 87 -2,-0.7 30,-0.2 1,-0.5 31,-0.1 0.135 59.2 0.9-129.7-111.8 27.7 -19.6 -27.7 18 19 A G S S- 0 0 24 28,-1.6 -1,-0.5 2,-0.2 30,-0.3 -0.168 74.9 -94.8 -83.4 178.9 29.0 -16.0 -27.3 19 20 A P S S+ 0 0 67 0, 0.0 69,-2.0 0, 0.0 70,-1.6 0.401 102.3 84.8 -75.7 -0.8 31.8 -14.6 -25.1 20 21 A V E -c 89 0B 28 26,-0.3 28,-2.4 67,-0.2 2,-0.3 -0.930 67.4-163.8-104.7 125.4 29.3 -13.7 -22.3 21 22 A G E -cd 90 48B 0 68,-3.5 70,-2.9 -2,-0.5 2,-0.4 -0.802 15.3-157.4-115.1 149.7 28.6 -16.6 -19.9 22 23 A V E -cd 91 49B 0 26,-2.6 28,-2.4 -2,-0.3 2,-0.5 -0.991 6.5-157.5-123.5 126.5 26.0 -17.4 -17.3 23 24 A L E -cd 92 50B 0 68,-2.9 70,-2.9 -2,-0.4 2,-0.5 -0.898 12.1-161.6 -99.6 127.3 26.6 -19.9 -14.5 24 25 A L E -c 93 0B 0 26,-2.7 2,-0.5 -2,-0.5 70,-0.2 -0.947 2.1-162.4-116.6 128.3 23.4 -21.3 -13.1 25 26 A V E -c 94 0B 0 68,-2.4 70,-2.0 -2,-0.5 73,-0.1 -0.926 3.3-154.8-117.7 123.1 23.3 -23.0 -9.6 26 27 A H - 0 0 0 -2,-0.5 2,-0.1 26,-0.4 3,-0.1 -0.224 24.8 -98.7 -85.8-178.7 20.6 -25.3 -8.4 27 28 A G > - 0 0 7 4,-0.3 3,-1.5 70,-0.1 2,-0.2 -0.300 41.0 -60.4-107.4-178.1 19.6 -26.0 -4.8 28 29 A F T 3 S- 0 0 34 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.390 121.3 -3.8 -63.5 120.0 19.9 -28.3 -1.7 29 30 A T T 3 S+ 0 0 22 1,-0.2 129,-2.2 -2,-0.2 -1,-0.3 0.329 118.2 109.5 70.9 -3.1 18.6 -31.8 -2.5 30 31 A G < - 0 0 2 -3,-1.5 28,-0.3 127,-0.2 -1,-0.2 -0.043 57.7-140.0 -88.5-168.8 17.6 -30.4 -5.9 31 32 A T > - 0 0 5 125,-0.3 3,-1.5 26,-0.1 4,-0.3 -0.870 41.0 -83.8-142.6 172.9 18.9 -31.0 -9.4 32 33 A P G >> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 3,-1.2 0.686 111.5 86.9 -54.1 -18.1 19.7 -29.0 -12.6 33 34 A H G 34 S+ 0 0 61 1,-0.3 3,-0.3 -24,-0.2 -23,-0.1 0.851 81.3 58.0 -49.3 -40.4 15.9 -29.4 -13.4 34 35 A S G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 122,-0.2 4,-0.1 0.795 116.5 32.0 -61.8 -32.9 15.1 -26.3 -11.3 35 36 A M T X> S+ 0 0 0 -3,-1.2 4,-2.4 -4,-0.3 3,-0.6 0.499 91.6 97.7-105.6 -7.1 17.3 -24.1 -13.4 36 37 A R H 3X S+ 0 0 42 -4,-1.4 4,-2.5 -3,-0.3 5,-0.2 0.851 79.9 52.8 -55.3 -43.9 17.0 -25.8 -16.8 37 38 A P H 3> S+ 0 0 35 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.865 113.1 46.4 -62.9 -32.9 14.3 -23.5 -18.2 38 39 A L H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.932 111.3 50.8 -69.6 -47.9 16.5 -20.4 -17.4 39 40 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.892 112.0 47.6 -57.0 -43.7 19.6 -22.0 -18.8 40 41 A E H X S+ 0 0 103 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.913 111.0 50.5 -66.8 -42.8 17.8 -22.9 -22.1 41 42 A A H X S+ 0 0 28 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.910 112.7 46.7 -60.1 -42.8 16.3 -19.4 -22.4 42 43 A Y H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-0.3 0.878 110.9 52.0 -69.8 -37.7 19.7 -17.7 -21.9 43 44 A A H ><5S+ 0 0 16 -4,-2.1 3,-1.5 -5,-0.2 -1,-0.2 0.912 107.9 51.8 -61.8 -43.4 21.4 -20.1 -24.4 44 45 A K H 3<5S+ 0 0 191 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.804 103.9 58.2 -64.7 -29.1 18.8 -19.2 -27.0 45 46 A A T 3<5S- 0 0 58 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.532 129.5 -96.6 -78.9 -8.0 19.5 -15.6 -26.4 46 47 A G T < 5S+ 0 0 37 -3,-1.5 -28,-1.6 1,-0.3 -26,-0.3 0.539 77.9 137.8 107.0 10.6 23.1 -16.2 -27.3 47 48 A Y < - 0 0 30 -5,-2.4 2,-0.4 -30,-0.2 -1,-0.3 -0.632 57.6-119.5 -86.9 144.2 24.8 -16.7 -24.0 48 49 A T E - d 0 21B 4 -28,-2.4 -26,-2.6 -30,-0.3 2,-0.4 -0.700 42.1-157.5 -74.1 134.0 27.3 -19.4 -23.2 49 50 A V E -Bd 15 22B 0 -34,-2.5 -34,-2.4 -2,-0.4 2,-0.4 -0.950 23.9-176.3-128.1 135.8 25.7 -21.4 -20.4 50 51 A C E +Bd 14 23B 0 -28,-2.4 -26,-2.7 -2,-0.4 -36,-0.2 -0.962 6.3 172.0-131.0 116.9 26.9 -23.7 -17.6 51 52 A L E -B 13 0B 0 -38,-3.0 -38,-2.2 -2,-0.4 -26,-0.1 -0.852 20.7-166.9-121.0 90.7 24.5 -25.4 -15.4 52 53 A P - 0 0 7 0, 0.0 2,-0.6 0, 0.0 -26,-0.4 -0.270 21.5-119.6 -78.3 164.9 26.5 -27.9 -13.2 53 54 A R - 0 0 48 22,-0.1 3,-0.1 -28,-0.1 -22,-0.1 -0.928 32.2-123.1-101.7 122.0 25.2 -30.8 -11.1 54 55 A L > - 0 0 1 -2,-0.6 3,-2.1 1,-0.1 18,-0.1 -0.370 37.1 -94.1 -64.3 140.5 26.2 -30.3 -7.4 55 56 A K T 3 S+ 0 0 79 16,-0.4 -1,-0.1 1,-0.3 3,-0.1 -0.275 112.1 17.9 -56.1 136.6 28.2 -33.2 -6.0 56 57 A G T 3 S+ 0 0 0 1,-0.3 8,-0.5 -52,-0.1 2,-0.3 0.467 105.0 111.3 79.6 1.0 26.0 -35.8 -4.2 57 58 A H S < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.2 -26,-0.1 -0.836 70.3 20.4-108.5 146.7 22.9 -34.4 -6.0 58 59 A G S S+ 0 0 2 -2,-0.3 -51,-2.8 -28,-0.3 -48,-0.2 0.672 115.6 68.6 74.1 16.3 20.9 -36.1 -8.7 59 60 A T S S- 0 0 7 -3,-0.3 2,-0.3 -53,-0.2 -2,-0.1 0.535 109.1 -42.1-122.7 -78.5 22.2 -39.5 -7.6 60 61 A H >> - 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