==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-AUG-05 2APJ . COMPND 2 MOLECULE: PUTATIVE ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR G.E.WESENBERG,G.N.PHILLIPS JR.,J.G.MCCOY,E.BITTO,C.A.BINGMAN . 966 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 649 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 55 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 266 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 4 0 0 0 1 0 4 0 3 4 0 0 0 0 0 4 0 3 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 0 8 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 PARALLEL BRIDGES PER LADDER . 8 0 7 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 17 A S 0 0 165 0, 0.0 57,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 94.1 13.6 -6.3 20.6 2 18 A P - 0 0 52 0, 0.0 55,-0.1 0, 0.0 45,-0.1 -0.350 360.0-109.7 -69.1 150.0 10.3 -4.7 19.8 3 19 A I - 0 0 127 43,-0.3 46,-0.0 1,-0.1 0, 0.0 -0.554 51.7-102.9 -66.9 131.6 7.1 -5.9 21.4 4 20 A P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 94,-0.1 -0.211 36.7-101.2 -67.2 157.0 5.3 -7.5 18.5 5 21 A P - 0 0 4 0, 0.0 129,-0.2 0, 0.0 92,-0.2 -0.360 23.9-171.7 -75.6 152.3 2.4 -5.8 16.8 6 22 A N S S+ 0 0 61 90,-2.2 129,-2.1 1,-0.2 2,-0.5 0.471 79.6 52.7-112.6 -13.5 -1.3 -6.6 17.3 7 23 A Q E S-ab 97 135A 31 89,-2.2 91,-2.6 127,-0.2 2,-0.4 -0.921 74.7-169.3-127.1 110.2 -2.7 -4.5 14.5 8 24 A I E -ab 98 136A 0 127,-3.1 129,-3.4 -2,-0.5 130,-1.0 -0.795 9.0-169.6-112.8 134.9 -1.1 -5.3 11.1 9 25 A F E -ab 99 138A 0 89,-2.8 91,-2.4 -2,-0.4 2,-0.4 -0.978 14.7-143.5-123.7 133.2 -1.4 -3.3 7.8 10 26 A I E -ab 100 139A 0 128,-2.1 130,-3.3 -2,-0.4 2,-0.6 -0.813 13.4-159.6 -97.2 130.6 -0.2 -4.6 4.5 11 27 A L E +ab 101 140A 2 89,-2.5 91,-3.0 -2,-0.4 92,-0.6 -0.956 27.4 148.5-114.1 119.9 1.2 -1.8 2.2 12 28 A S E + b 0 141A 0 128,-2.8 130,-1.9 -2,-0.6 2,-0.3 -0.910 12.4 76.4-148.4 172.7 1.3 -2.6 -1.4 13 29 A G E S- b 0 142A 0 -2,-0.3 91,-2.5 128,-0.2 130,-0.3 -0.960 76.6 -42.9 129.1-144.5 1.1 -1.4 -5.0 14 30 A Q S >> S- 0 0 0 128,-2.2 4,-2.4 -2,-0.3 3,-1.9 -0.084 84.2 -48.5-112.1-148.8 3.8 0.4 -7.1 15 31 A X H 3> S+ 0 0 58 1,-0.3 4,-2.6 2,-0.2 90,-0.1 0.693 125.6 60.5 -70.8 -20.0 6.2 3.3 -6.4 16 32 A N H 34 S+ 0 0 0 126,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.632 114.4 39.1 -78.9 -13.9 3.8 5.8 -4.8 17 33 A M H <4 S+ 0 0 3 -3,-1.9 62,-0.3 125,-0.4 -2,-0.2 0.775 113.7 53.0 -85.1 -42.0 3.2 3.2 -2.1 18 34 A A H < S- 0 0 1 -4,-2.4 47,-0.6 124,-0.2 -2,-0.2 0.898 119.5-118.3 -57.2 -38.4 6.8 2.2 -2.0 19 35 A G < + 0 0 0 -4,-2.6 56,-2.2 -5,-0.2 58,-0.3 0.405 46.5 177.1 105.0 122.3 7.6 5.9 -1.6 20 36 A R > + 0 0 19 56,-0.9 3,-2.0 203,-0.3 205,-0.2 0.192 36.5 137.1-128.9 8.0 9.5 8.4 -3.6 21 37 A G B 3 S+G 76 0B 0 55,-2.6 55,-2.3 203,-0.3 203,-0.2 -0.408 78.9 8.8 -57.5 130.7 8.9 11.6 -1.5 22 38 A G T 3 S+ 0 0 10 1,-0.3 13,-2.9 53,-0.2 2,-0.6 0.470 88.6 138.4 82.8 5.1 12.1 13.6 -1.1 23 39 A V E < +H 34 0C 8 -3,-2.0 2,-0.3 11,-0.2 -1,-0.3 -0.739 27.4 171.3 -87.4 124.3 14.1 11.5 -3.7 24 40 A F E -H 33 0C 30 9,-2.6 9,-2.5 -2,-0.6 2,-0.6 -0.935 38.3-112.6-133.3 150.5 16.1 14.0 -5.8 25 41 A K E -H 32 0C 95 -2,-0.3 7,-0.3 7,-0.2 2,-0.2 -0.753 38.3-121.7 -85.1 120.2 18.9 13.6 -8.4 26 42 A D > - 0 0 39 5,-3.0 4,-2.5 -2,-0.6 3,-0.3 -0.417 13.9-148.9 -62.9 125.9 22.1 15.0 -6.9 27 43 A H T 4 S+ 0 0 162 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.768 93.2 57.1 -73.4 -25.3 23.3 17.7 -9.3 28 44 A H T 4 S+ 0 0 176 1,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.769 130.7 3.4 -68.6 -37.1 27.0 17.0 -8.5 29 45 A N T 4 S- 0 0 68 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.1 0.381 89.4-116.0-141.7 6.1 26.9 13.4 -9.5 30 46 A N < + 0 0 106 -4,-2.5 2,-0.3 1,-0.2 -3,-0.1 0.477 64.8 141.4 72.7 3.9 23.5 12.3 -10.9 31 47 A R - 0 0 163 -5,-0.1 -5,-3.0 -6,-0.1 2,-0.4 -0.586 53.7-124.4 -79.4 136.0 22.8 9.8 -8.1 32 48 A W E +H 25 0C 132 -2,-0.3 2,-0.3 -7,-0.3 -7,-0.2 -0.681 39.3 174.2 -78.5 130.0 19.3 9.6 -6.8 33 49 A V E -H 24 0C 49 -9,-2.5 -9,-2.6 -2,-0.4 2,-0.4 -0.999 35.4-119.4-138.9 138.5 19.2 10.2 -3.0 34 50 A W E -H 23 0C 39 -2,-0.3 -11,-0.2 -11,-0.2 -12,-0.1 -0.694 21.7-139.8 -77.7 127.9 16.5 10.6 -0.4 35 51 A D - 0 0 14 -13,-2.9 -1,-0.1 -2,-0.4 3,-0.1 0.541 26.8-133.2 -64.6 -8.0 16.8 14.0 1.1 36 52 A K + 0 0 76 1,-0.2 2,-0.6 -14,-0.1 -1,-0.1 0.598 50.8 153.1 64.9 14.5 16.0 12.5 4.6 37 53 A I - 0 0 0 -15,-0.1 -1,-0.2 292,-0.1 39,-0.1 -0.667 23.7-170.5 -75.6 118.8 13.4 15.2 5.3 38 54 A L - 0 0 48 -2,-0.6 443,-0.1 436,-0.2 5,-0.1 -0.935 14.7-141.6-120.0 108.8 11.0 13.6 7.8 39 55 A P > - 0 0 0 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.343 27.6-115.6 -61.4 150.0 7.7 15.4 8.7 40 56 A P G > S+ 0 0 85 0, 0.0 3,-1.7 0, 0.0 438,-0.0 0.798 116.0 67.8 -61.1 -24.2 6.8 15.0 12.3 41 57 A E G 3 S+ 0 0 77 1,-0.3 43,-0.4 43,-0.0 44,-0.2 0.662 102.5 47.1 -61.7 -18.1 3.7 13.1 11.1 42 58 A C G < S+ 0 0 1 -3,-2.2 20,-0.4 42,-0.1 -1,-0.3 0.241 83.6 137.5-105.8 10.7 6.1 10.4 9.9 43 59 A A < - 0 0 35 -3,-1.7 2,-0.0 1,-0.1 41,-0.0 -0.202 56.4-110.8 -65.8 143.7 8.1 10.2 13.2 44 60 A P - 0 0 54 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.344 32.5-170.5 -73.4 165.4 9.1 6.8 14.5 45 61 A N > - 0 0 48 3,-0.5 3,-2.0 15,-0.3 15,-0.4 -0.985 34.4-123.8-153.3 141.3 7.6 5.2 17.6 46 62 A S T 3 S+ 0 0 87 -2,-0.3 -43,-0.3 1,-0.3 -1,-0.0 0.701 114.7 56.9 -63.7 -15.3 8.5 2.1 19.6 47 63 A S T 3 S+ 0 0 24 1,-0.1 50,-2.6 -45,-0.1 2,-0.5 0.206 94.1 75.8-100.0 14.6 4.8 1.0 19.0 48 64 A I E < +c 97 0A 0 -3,-2.0 12,-2.7 48,-0.2 -3,-0.5 -0.966 66.6 179.0-127.9 113.8 5.1 1.2 15.2 49 65 A L E -cD 98 59A 0 48,-3.2 50,-2.8 -2,-0.5 2,-0.4 -0.732 19.9-148.3-117.0 162.8 7.0 -1.6 13.6 50 66 A R E -cD 99 58A 15 8,-3.2 8,-2.3 -2,-0.3 2,-0.8 -0.981 19.6-128.4-128.4 138.1 8.0 -2.8 10.1 51 67 A L E - D 0 57A 2 48,-2.5 6,-0.2 -2,-0.4 78,-0.1 -0.782 33.8-141.9 -84.5 116.3 8.4 -6.4 8.9 52 68 A S > - 0 0 0 4,-2.9 3,-1.8 -2,-0.8 13,-0.0 -0.171 25.1-102.8 -69.2 169.0 11.8 -6.5 7.3 53 69 A A T 3 S+ 0 0 40 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.846 126.3 56.3 -59.0 -32.3 12.7 -8.4 4.1 54 70 A D T 3 S- 0 0 129 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.227 122.7-110.3 -85.0 11.0 14.4 -11.0 6.4 55 71 A L S < S+ 0 0 57 -3,-1.8 2,-0.4 1,-0.2 -2,-0.1 0.812 73.7 132.4 70.6 33.7 11.0 -11.3 8.3 56 72 A R - 0 0 121 -6,-0.0 -4,-2.9 2,-0.0 2,-0.4 -0.928 57.6-122.3-110.5 140.7 12.0 -9.7 11.6 57 73 A W E +D 51 0A 42 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.707 40.4 169.2 -78.5 134.4 9.9 -7.0 13.2 58 74 A E E -D 50 0A 57 -8,-2.3 -8,-3.2 -2,-0.4 2,-0.1 -0.940 46.7 -79.5-139.4 158.9 11.8 -3.8 13.8 59 75 A E E -D 49 0A 73 -2,-0.3 -10,-0.3 -10,-0.2 2,-0.2 -0.420 60.5-114.1 -57.2 135.3 11.0 -0.3 14.8 60 76 A A + 0 0 0 -12,-2.7 2,-0.3 -15,-0.4 -15,-0.3 -0.520 42.7 166.7 -81.0 137.5 9.6 1.3 11.6 61 77 A H - 0 0 100 -2,-0.2 -18,-0.1 2,-0.1 -3,-0.0 -0.988 36.8 -76.7-142.5 142.1 11.4 4.2 9.8 62 78 A E S S+ 0 0 12 -20,-0.4 14,-0.1 -2,-0.3 -43,-0.1 -0.428 109.0 57.3 -67.9 150.0 11.0 5.7 6.4 63 79 A P S > S+ 0 0 24 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.464 70.3 179.7 -77.5 132.7 11.8 4.8 3.8 64 80 A L T 3 S+ 0 0 4 11,-0.3 3,-0.2 1,-0.2 -2,-0.1 0.661 74.8 50.5 -74.0 -19.2 9.7 1.7 4.6 65 81 A H T >> + 0 0 2 -47,-0.6 4,-2.6 10,-0.3 3,-1.7 0.245 69.0 115.5-106.5 19.8 10.5 -0.2 1.3 66 82 A V T <4 S+ 0 0 88 -3,-1.0 6,-0.2 1,-0.3 5,-0.2 0.900 88.9 32.8 -55.2 -45.2 14.3 0.0 1.2 67 83 A D T 34 S+ 0 0 50 -3,-0.2 -1,-0.3 3,-0.1 3,-0.2 0.348 125.7 46.2 -91.7 9.6 14.8 -3.8 1.4 68 84 A I T <4 S+ 0 0 3 -3,-1.7 2,-2.0 1,-0.2 -2,-0.2 0.761 106.4 49.2-118.6 -52.5 11.5 -4.6 -0.5 69 85 A D S >< S- 0 0 2 -4,-2.6 3,-1.1 -51,-0.1 -1,-0.2 -0.549 91.6-171.0 -87.3 69.4 11.4 -2.3 -3.5 70 86 A T T 3 + 0 0 98 -2,-2.0 35,-0.1 1,-0.2 -3,-0.1 -0.298 57.8 27.6 -73.3 153.0 14.9 -3.4 -4.3 71 87 A G T 3 S+ 0 0 86 -5,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.534 104.9 91.1 77.3 6.1 17.0 -1.8 -7.0 72 88 A K S < S- 0 0 98 -3,-1.1 2,-0.6 -6,-0.2 -1,-0.2 -0.990 81.8-116.4-131.7 140.4 15.1 1.5 -6.7 73 89 A V - 0 0 67 -2,-0.4 2,-0.3 -3,-0.1 -40,-0.1 -0.669 38.8-152.9 -81.5 121.7 16.0 4.5 -4.4 74 90 A C + 0 0 8 -2,-0.6 -54,-0.2 -11,-0.1 2,-0.2 -0.663 21.3 167.4 -99.1 151.3 13.1 4.8 -2.0 75 91 A G - 0 0 0 -56,-2.2 -10,-0.3 -2,-0.3 -11,-0.3 -0.425 50.3 -27.6-131.7-149.1 11.8 7.9 -0.1 76 92 A V B +G 21 0B 0 -55,-2.3 -55,-2.6 -2,-0.2 -56,-0.9 -0.481 55.3 175.3 -78.1 133.8 8.8 8.7 1.9 77 93 A G - 0 0 2 -58,-0.3 4,-0.3 -2,-0.2 3,-0.2 -0.444 47.7 -89.0-115.8-166.7 5.5 6.9 1.3 78 94 A P S > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.576 98.5 92.3 -85.3 -3.7 2.2 7.1 3.1 79 95 A G H > S+ 0 0 1 -62,-0.3 4,-2.7 1,-0.2 5,-0.2 0.851 84.0 42.3 -66.4 -46.9 2.8 4.4 5.7 80 96 A M H > S+ 0 0 0 -3,-0.2 4,-2.9 2,-0.2 5,-0.3 0.887 115.3 50.2 -69.5 -36.9 4.3 6.2 8.7 81 97 A A H > S+ 0 0 1 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.912 113.3 48.4 -64.7 -40.4 1.8 9.1 8.5 82 98 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.947 113.0 47.6 -60.5 -50.2 -0.9 6.5 8.3 83 99 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.912 111.7 47.5 -64.6 -43.9 0.5 4.6 11.3 84 100 A N H X S+ 0 0 16 -4,-2.9 4,-2.7 -43,-0.4 -1,-0.2 0.919 112.0 51.2 -62.9 -39.5 1.0 7.6 13.5 85 101 A A H X S+ 0 0 23 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.922 113.8 43.4 -63.8 -44.8 -2.5 8.9 12.8 86 102 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.960 114.5 49.9 -64.3 -49.9 -4.1 5.5 13.6 87 103 A K H X>S+ 0 0 23 -4,-2.8 4,-1.1 -5,-0.2 5,-0.5 0.923 113.6 46.4 -55.1 -46.5 -2.0 5.0 16.7 88 104 A N H ><5S+ 0 0 107 -4,-2.7 3,-0.6 -5,-0.2 -1,-0.2 0.938 112.7 47.8 -64.6 -43.2 -2.8 8.4 18.0 89 105 A R H 3<5S+ 0 0 155 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.805 104.7 61.5 -70.3 -27.9 -6.6 8.2 17.3 90 106 A L H 3<5S- 0 0 43 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.826 82.6-163.5 -65.7 -32.8 -6.8 4.8 19.0 91 107 A E T <<5 + 0 0 180 -4,-1.1 2,-0.4 -3,-0.6 -3,-0.1 0.893 41.8 131.3 51.3 45.1 -5.6 6.3 22.3 92 108 A T > < - 0 0 59 -5,-0.5 3,-1.4 1,-0.1 -1,-0.2 -0.965 53.0-153.9-133.7 120.1 -4.8 2.8 23.6 93 109 A D T 3 S+ 0 0 156 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.833 95.4 57.1 -61.2 -29.1 -1.5 2.0 25.2 94 110 A S T 3 S+ 0 0 95 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.664 79.5 105.2 -79.1 -16.6 -1.8 -1.6 24.2 95 111 A A < - 0 0 1 -3,-1.4 2,-0.5 -8,-0.1 -3,-0.1 -0.487 45.7-177.9 -72.7 125.0 -2.1 -1.0 20.5 96 112 A V - 0 0 12 -2,-0.3 -90,-2.2 -92,-0.1 -89,-2.2 -0.989 16.2-145.1-126.5 119.8 1.1 -1.8 18.5 97 113 A I E -ac 7 48A 0 -50,-2.6 -48,-3.2 -2,-0.5 2,-0.4 -0.715 11.1-165.5 -87.8 135.0 1.0 -1.2 14.8 98 114 A G E -ac 8 49A 0 -91,-2.6 -89,-2.8 -2,-0.4 2,-0.4 -0.983 3.7-159.3-119.7 130.6 2.9 -3.5 12.3 99 115 A L E -ac 9 50A 0 -50,-2.8 -48,-2.5 -2,-0.4 -89,-0.2 -0.895 2.6-162.9-107.8 136.1 3.5 -2.4 8.7 100 116 A V E -a 10 0A 0 -91,-2.4 -89,-2.5 -2,-0.4 2,-0.4 -0.857 12.3-155.7-118.6 89.9 4.2 -5.0 6.1 101 117 A P E +a 11 0A 0 0, 0.0 -89,-0.2 0, 0.0 -91,-0.1 -0.562 30.7 151.8 -71.1 133.6 5.7 -3.3 3.1 102 118 A C + 0 0 0 -91,-3.0 -90,-0.2 -2,-0.4 -89,-0.2 0.358 25.2 128.7-135.6 -3.1 5.2 -5.2 -0.2 103 119 A A - 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