==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-DEC-12 4IH1 . COMPND 2 MOLECULE: HYDROLASE, ALPHA/BETA FOLD FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR X.E.ZHOU,L.-H.ZHAO,Z.-S.WU,W.YI,S.LI,Y.LI,Y.XU,T.-H.XU,Y.LIU . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.2 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 . 1 0.4 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 . 16 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 1 0 0 0 0 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 1 1 1 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 . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.6 -21.2 -31.9 -15.3 2 2 A G > - 0 0 40 1,-0.1 4,-2.6 81,-0.1 5,-0.2 -0.188 360.0-101.0 -66.3 164.6 -18.7 -31.1 -18.1 3 3 A V H > S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.845 119.7 54.3 -56.9 -40.0 -15.1 -30.2 -17.4 4 4 A V H > S+ 0 0 46 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.934 112.6 43.2 -63.3 -44.6 -15.6 -26.4 -17.8 5 5 A E H 4>S+ 0 0 12 2,-0.2 5,-2.8 1,-0.2 3,-0.3 0.918 115.1 48.3 -70.0 -43.3 -18.4 -26.3 -15.3 6 6 A E H ><5S+ 0 0 106 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.923 108.1 55.8 -59.4 -42.7 -16.7 -28.6 -12.8 7 7 A A H 3<5S+ 0 0 18 -4,-2.6 51,-0.3 1,-0.3 -1,-0.2 0.764 112.9 41.6 -64.0 -26.7 -13.5 -26.5 -13.1 8 8 A H T 3<5S- 0 0 9 -4,-1.1 42,-2.9 -3,-0.3 -1,-0.3 0.210 111.4-119.0-105.5 14.3 -15.4 -23.4 -12.1 9 9 A N T < 5 - 0 0 46 -3,-1.7 -3,-0.2 40,-0.2 -2,-0.1 0.884 42.7-164.7 54.9 39.8 -17.4 -25.1 -9.3 10 10 A V < - 0 0 10 -5,-2.8 2,-0.4 -6,-0.1 39,-0.2 -0.341 10.8-170.1 -62.7 131.8 -20.7 -24.3 -11.2 11 11 A K E -A 48 0A 91 37,-2.4 37,-2.4 -2,-0.0 2,-0.5 -0.994 6.1-167.4-120.4 136.1 -23.9 -24.6 -9.2 12 12 A V E -A 47 0A 60 -2,-0.4 2,-0.6 35,-0.2 35,-0.2 -0.981 4.4-171.1-124.2 119.7 -27.4 -24.4 -10.8 13 13 A I E +A 46 0A 69 33,-2.9 33,-2.7 -2,-0.5 2,-0.1 -0.947 52.9 2.5-117.0 110.2 -30.3 -24.0 -8.4 14 14 A G - 0 0 51 -2,-0.6 2,-0.2 31,-0.2 31,-0.1 -0.216 69.6-102.5 107.2 167.2 -33.8 -24.4 -10.0 15 15 A S + 0 0 115 -2,-0.1 2,-0.4 30,-0.0 3,-0.1 -0.682 66.5 57.0-118.3 173.5 -35.4 -25.1 -13.3 16 16 A G S S- 0 0 58 -2,-0.2 3,-0.1 1,-0.1 28,-0.1 -0.858 85.1 -78.8 114.5-141.4 -37.0 -23.0 -16.1 17 17 A E S S+ 0 0 151 -2,-0.4 2,-0.5 1,-0.1 71,-0.2 0.566 90.2 99.5-137.9 -36.2 -35.7 -20.1 -18.0 18 18 A A - 0 0 57 -3,-0.1 27,-2.8 25,-0.1 2,-0.4 -0.462 65.2-177.5 -56.1 107.8 -35.8 -16.9 -16.0 19 19 A T E -b 45 0A 6 -2,-0.5 71,-2.4 69,-0.3 2,-0.4 -0.947 29.5-167.1-130.1 133.9 -32.1 -17.1 -15.0 20 20 A I E -bc 46 90A 0 25,-2.7 27,-3.0 -2,-0.4 2,-0.4 -0.974 8.7-162.9-116.1 133.3 -29.7 -15.1 -12.8 21 21 A V E -bc 47 91A 0 69,-2.7 71,-2.8 -2,-0.4 2,-0.5 -0.946 6.5-159.1-119.0 128.6 -25.9 -15.6 -13.0 22 22 A L E -bc 48 92A 0 25,-2.4 27,-0.9 -2,-0.4 2,-0.4 -0.963 6.4-171.4-120.0 124.4 -23.7 -14.3 -10.2 23 23 A G E -bc 49 93A 0 69,-2.6 71,-2.8 -2,-0.5 2,-0.1 -0.942 13.8-143.2-119.2 131.7 -20.0 -13.6 -10.6 24 24 A H - 0 0 4 25,-0.5 6,-0.1 -2,-0.4 73,-0.1 -0.394 12.0-117.3 -94.9 172.1 -17.7 -12.8 -7.6 25 25 A G > - 0 0 0 1,-0.2 3,-1.4 4,-0.2 26,-0.1 -0.224 48.9 -50.1 -99.5-176.2 -14.7 -10.4 -7.2 26 26 A F T 3 S+ 0 0 31 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.260 118.2 10.4 -56.2 134.3 -11.0 -10.8 -6.3 27 27 A G T 3 S+ 0 0 6 1,-0.3 -1,-0.2 150,-0.1 153,-0.2 0.319 115.7 73.1 84.2 -7.9 -10.1 -12.8 -3.2 28 28 A T < - 0 0 6 -3,-1.4 -1,-0.3 149,-0.1 2,-0.2 -0.396 63.0-147.2-119.8-164.8 -13.5 -14.4 -2.6 29 29 A D > - 0 0 18 -2,-0.1 3,-2.3 -3,-0.1 -4,-0.2 -0.804 50.4 -60.3-152.8-169.9 -15.7 -17.0 -4.3 30 30 A Q G > S+ 0 0 25 1,-0.3 3,-1.7 -2,-0.2 20,-0.1 0.677 119.5 76.7 -59.1 -18.6 -19.4 -17.8 -5.0 31 31 A S G > S+ 0 0 43 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.667 72.7 80.7 -66.0 -15.0 -20.0 -17.9 -1.2 32 32 A V G < S+ 0 0 0 -3,-2.3 3,-0.4 1,-0.3 -1,-0.3 0.747 89.0 57.2 -59.6 -23.2 -19.8 -14.1 -1.3 33 33 A W G X> + 0 0 1 -3,-1.7 4,-2.4 1,-0.2 3,-1.5 0.288 69.7 116.4 -91.0 9.3 -23.5 -14.4 -2.5 34 34 A K T <4 S+ 0 0 86 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.733 78.3 44.0 -57.4 -29.5 -24.7 -16.4 0.6 35 35 A H T 34 S+ 0 0 72 -3,-0.4 -1,-0.3 214,-0.3 4,-0.2 0.627 116.5 46.2 -89.5 -12.7 -27.1 -13.6 1.8 36 36 A L T X4 S+ 0 0 0 -3,-1.5 3,-1.7 2,-0.1 4,-0.4 0.867 98.9 65.8 -91.9 -43.0 -28.6 -12.9 -1.7 37 37 A V G >X S+ 0 0 21 -4,-2.4 3,-2.0 1,-0.3 4,-1.7 0.836 92.5 61.2 -55.3 -41.0 -29.2 -16.4 -3.1 38 38 A P G 34 S+ 0 0 77 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.802 105.2 49.9 -56.9 -28.2 -31.9 -17.3 -0.6 39 39 A H G <4 S+ 0 0 93 -3,-1.7 -2,-0.2 -4,-0.2 -3,-0.1 0.470 112.8 46.1 -88.7 -4.6 -34.0 -14.4 -1.9 40 40 A L T X> S+ 0 0 0 -3,-2.0 4,-2.2 -4,-0.4 3,-1.6 0.712 89.7 77.6-104.4 -31.5 -33.7 -15.3 -5.6 41 41 A V T 3< S+ 0 0 48 -4,-1.7 -2,-0.1 1,-0.3 5,-0.1 0.701 88.2 57.6 -64.9 -21.9 -34.3 -19.1 -5.7 42 42 A D T 34 S+ 0 0 146 -4,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.718 121.7 27.0 -76.6 -20.3 -38.1 -18.9 -5.5 43 43 A D T <4 S+ 0 0 104 -3,-1.6 2,-0.3 1,-0.2 -2,-0.2 0.617 122.5 35.4-115.4 -20.2 -38.3 -16.7 -8.6 44 44 A Y S < S- 0 0 41 -4,-2.2 2,-0.5 -28,-0.1 -25,-0.2 -0.965 73.4-112.9-139.5 151.0 -35.3 -17.5 -10.7 45 45 A R E - b 0 19A 46 -27,-2.8 -25,-2.7 -2,-0.3 2,-0.5 -0.759 45.1-148.1 -73.8 127.0 -33.0 -20.3 -11.7 46 46 A V E -Ab 13 20A 0 -33,-2.7 -33,-2.9 -2,-0.5 2,-0.5 -0.904 14.3-165.4-113.0 128.9 -29.7 -19.2 -10.1 47 47 A V E -Ab 12 21A 0 -27,-3.0 -25,-2.4 -2,-0.5 2,-0.4 -0.952 7.7-176.8-115.0 122.8 -26.3 -20.0 -11.5 48 48 A L E +Ab 11 22A 17 -37,-2.4 -37,-2.4 -2,-0.5 2,-0.3 -0.911 8.0 166.1-113.8 149.2 -23.1 -19.6 -9.3 49 49 A Y E - b 0 23A 4 -27,-0.9 -25,-0.5 -2,-0.4 2,-0.4 -0.987 29.3-124.6-157.4 158.3 -19.5 -20.1 -10.4 50 50 A D - 0 0 4 -42,-2.9 2,-0.2 -2,-0.3 -21,-0.1 -0.854 28.6-118.1-105.7 143.7 -16.0 -19.4 -9.3 51 51 A N > - 0 0 14 -2,-0.4 3,-2.2 -26,-0.1 6,-0.1 -0.546 41.4 -95.8 -76.6 140.2 -13.4 -17.4 -11.4 52 52 A M T 3 S+ 0 0 6 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.336 113.4 36.9 -58.2 132.3 -10.3 -19.3 -12.4 53 53 A G T 3 S+ 0 0 5 1,-0.4 129,-0.3 5,-0.1 -1,-0.3 0.160 82.1 130.4 104.5 -17.2 -7.6 -18.6 -9.9 54 54 A A S X S- 0 0 8 -3,-2.2 3,-2.5 1,-0.1 -1,-0.4 -0.349 74.9-108.8 -58.7 151.6 -9.9 -18.5 -6.8 55 55 A G T 3 S+ 0 0 25 122,-0.4 -1,-0.1 1,-0.3 -26,-0.1 0.700 118.9 62.1 -58.2 -21.8 -8.6 -20.7 -3.9 56 56 A T T 3 S+ 0 0 62 2,-0.1 -1,-0.3 -48,-0.0 2,-0.3 0.385 95.6 79.8 -80.5 -2.1 -11.5 -23.1 -4.6 57 57 A T S < S- 0 0 13 -3,-2.5 -49,-0.1 -6,-0.1 -50,-0.1 -0.751 92.3 -97.2-108.7 160.2 -10.1 -23.8 -8.1 58 58 A N > - 0 0 67 -51,-0.3 3,-2.1 -2,-0.3 4,-0.3 -0.596 24.2-148.4 -77.3 116.7 -7.3 -26.1 -9.3 59 59 A P G > S+ 0 0 50 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.753 93.9 70.7 -59.5 -23.7 -4.1 -24.0 -9.8 60 60 A D G 3 S+ 0 0 135 1,-0.3 -2,-0.0 3,-0.0 -3,-0.0 0.698 96.1 54.9 -62.8 -20.4 -3.0 -26.4 -12.6 61 61 A Y G < S+ 0 0 118 -3,-2.1 2,-1.1 -54,-0.1 -1,-0.3 0.484 78.8 107.2 -90.2 -6.0 -5.8 -24.8 -14.6 62 62 A F < - 0 0 12 -3,-1.5 2,-0.8 -4,-0.3 3,-0.1 -0.632 54.0-164.9 -80.1 104.0 -4.6 -21.2 -14.2 63 63 A D > - 0 0 78 -2,-1.1 4,-2.3 1,-0.2 5,-0.1 -0.766 7.5-157.5 -89.4 108.6 -3.2 -20.2 -17.6 64 64 A F T 4 S+ 0 0 79 -2,-0.8 -1,-0.2 1,-0.2 -2,-0.0 0.821 91.7 48.6 -59.6 -31.7 -1.2 -17.1 -17.0 65 65 A D T >4 S+ 0 0 134 2,-0.2 3,-1.3 1,-0.2 -1,-0.2 0.923 110.6 49.3 -73.6 -45.9 -1.5 -16.0 -20.6 66 66 A R G >4 S+ 0 0 103 1,-0.3 3,-0.5 2,-0.1 6,-0.4 0.873 116.8 42.3 -58.5 -41.8 -5.3 -16.6 -20.9 67 67 A Y G 3< S+ 0 0 10 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.225 82.3 101.5 -96.7 18.4 -5.9 -14.6 -17.7 68 68 A S G < S+ 0 0 65 -3,-1.3 2,-0.3 -5,-0.1 -1,-0.2 0.577 93.3 27.4 -76.9 -7.7 -3.4 -11.8 -18.5 69 69 A N S X> S- 0 0 71 -3,-0.5 3,-1.3 -4,-0.2 4,-0.5 -0.967 91.4-107.2-146.9 161.8 -6.4 -9.7 -19.5 70 70 A L H 3> S+ 0 0 11 -2,-0.3 4,-1.9 1,-0.3 3,-0.4 0.726 107.6 77.3 -65.3 -20.6 -10.0 -9.6 -18.5 71 71 A E H 3> S+ 0 0 87 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.854 86.3 61.3 -57.4 -35.1 -11.1 -11.1 -21.8 72 72 A G H <> S+ 0 0 3 -3,-1.3 4,-1.8 -6,-0.4 -1,-0.2 0.927 107.5 43.5 -57.2 -45.9 -9.9 -14.5 -20.6 73 73 A Y H X S+ 0 0 13 -4,-0.5 4,-2.0 -3,-0.4 -1,-0.2 0.857 111.4 54.6 -68.3 -34.7 -12.4 -14.4 -17.8 74 74 A S H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.889 107.3 50.1 -66.1 -37.5 -15.1 -13.0 -20.1 75 75 A F H X S+ 0 0 85 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.903 107.8 54.0 -70.2 -33.1 -14.6 -16.0 -22.5 76 76 A D H X S+ 0 0 11 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.917 108.8 49.8 -60.6 -46.0 -14.9 -18.3 -19.5 77 77 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.945 111.7 46.4 -57.9 -52.5 -18.3 -16.7 -18.6 78 78 A I H X S+ 0 0 13 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.930 110.3 55.4 -58.4 -43.4 -19.6 -17.1 -22.2 79 79 A A H X S+ 0 0 25 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.917 109.0 46.9 -55.4 -44.9 -18.4 -20.7 -22.2 80 80 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.925 111.4 50.0 -65.4 -43.9 -20.4 -21.5 -19.1 81 81 A L H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 4,-0.3 0.907 114.0 46.2 -61.6 -43.4 -23.5 -19.9 -20.4 82 82 A E H ><5S+ 0 0 101 -4,-2.8 3,-1.2 3,-0.2 -2,-0.2 0.915 110.9 51.6 -64.1 -44.2 -23.2 -21.8 -23.7 83 83 A D H 3<5S+ 0 0 79 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.830 111.8 47.4 -63.5 -35.4 -22.5 -25.1 -21.9 84 84 A L T 3<5S- 0 0 35 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.435 111.0-123.8 -81.9 -1.2 -25.6 -24.6 -19.8 85 85 A K T < 5 + 0 0 183 -3,-1.2 2,-0.5 -4,-0.3 -3,-0.2 0.805 51.1 164.1 60.9 34.3 -27.7 -23.7 -22.9 86 86 A I < - 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