==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-SEP-12 4HAQ . COMPND 2 MOLECULE: GH7 FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LIMNORIA QUADRIPUNCTATA; . AUTHOR R.N.A.MARTIN,J.E.MCGEEHAN,S.D.STREETER,S.M.CRAGG,M.J.GUILLE, . 862 2 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 559 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 243 28.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 2.1 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 . 78 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 2 4 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 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 0 PARALLEL BRIDGES PER LADDER . 12 7 10 6 4 5 4 1 2 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 . 10 2 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 23 A X 0 0 2 0, 0.0 161,-1.8 0, 0.0 160,-1.5 0.000 360.0 360.0 360.0 145.0 -13.2 12.7 13.4 2 24 A Q E -a 67 0A 59 64,-0.8 66,-2.6 61,-0.3 2,-0.3 -0.669 360.0-103.8 -91.7 163.1 -16.8 13.4 13.0 3 25 A A E -a 68 0A 35 -2,-0.2 66,-0.2 64,-0.2 2,-0.1 -0.665 27.6-139.6 -86.7 138.6 -18.3 13.7 9.5 4 26 A G - 0 0 8 64,-2.6 66,-0.1 -2,-0.3 3,-0.1 -0.455 6.1-140.7 -83.2 172.3 -19.2 17.1 8.0 5 27 A T S S+ 0 0 138 -2,-0.1 3,-0.1 34,-0.1 64,-0.1 0.314 75.0 97.1-120.5 8.6 -22.4 17.6 5.9 6 28 A E S S+ 0 0 99 1,-0.2 2,-0.4 35,-0.1 -1,-0.1 0.783 93.4 28.3 -66.2 -32.0 -21.3 20.0 3.1 7 29 A T S S- 0 0 29 -3,-0.1 63,-0.8 64,-0.0 -1,-0.2 -1.000 83.8-123.1-135.4 127.5 -20.7 17.0 0.5 8 30 A E - 0 0 132 -2,-0.4 2,-0.6 62,-0.2 -3,-0.1 -0.445 34.0-114.1 -64.1 146.0 -22.5 13.6 0.5 9 31 A E + 0 0 29 61,-0.2 2,-0.5 63,-0.1 63,-0.2 -0.760 36.9 179.6 -87.1 119.8 -20.1 10.6 0.7 10 32 A Y - 0 0 75 61,-2.9 2,-0.4 -2,-0.6 66,-0.1 -0.980 17.5-148.6-121.5 122.7 -20.1 8.5 -2.5 11 33 A H - 0 0 16 -2,-0.5 17,-0.2 17,-0.1 62,-0.0 -0.753 27.5-116.1 -86.8 134.2 -17.8 5.5 -2.7 12 34 A L E -D 27 0B 21 15,-1.6 15,-1.9 -2,-0.4 71,-0.0 -0.627 33.8-115.9 -73.6 119.8 -16.6 4.8 -6.3 13 35 A P E +D 26 0B 69 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.226 40.3 172.7 -60.3 138.7 -18.0 1.4 -7.5 14 36 A L E -D 25 0B 3 11,-1.9 11,-1.8 70,-0.1 2,-0.3 -0.952 20.2-145.4-145.1 128.4 -15.3 -1.2 -8.3 15 37 A T E +D 24 0B 43 71,-2.5 407,-0.4 -2,-0.3 2,-0.3 -0.656 25.9 161.4 -87.8 150.0 -15.8 -4.9 -9.2 16 38 A W E -D 23 0B 5 7,-1.9 7,-3.3 -2,-0.3 2,-0.5 -0.919 34.6-106.9-152.5 179.5 -13.4 -7.7 -8.1 17 39 A E E -De 22 423B 63 405,-2.9 407,-2.3 -2,-0.3 2,-0.6 -0.954 23.2-175.2-124.7 124.3 -13.4 -11.5 -7.7 18 40 A R E > S-De 21 424B 91 3,-2.5 3,-1.4 -2,-0.5 407,-0.2 -0.959 73.9 -27.6-121.4 108.6 -13.4 -13.4 -4.4 19 41 A D T 3 S- 0 0 90 405,-3.0 -1,-0.2 -2,-0.6 406,-0.2 0.940 128.0 -40.3 51.5 61.3 -13.1 -17.1 -4.6 20 42 A G T 3 S+ 0 0 62 404,-0.4 2,-0.3 1,-0.1 -1,-0.3 0.350 119.5 97.2 76.6 -4.6 -14.5 -17.6 -8.1 21 43 A S E < S-D 18 0B 67 -3,-1.4 -3,-2.5 2,-0.0 2,-0.2 -0.930 73.2-113.1-124.8 146.4 -17.4 -15.1 -7.8 22 44 A S E -D 17 0B 98 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.471 28.1-160.9 -71.5 135.5 -17.9 -11.4 -8.8 23 45 A V E -D 16 0B 22 -7,-3.3 -7,-1.9 -2,-0.2 2,-1.2 -0.971 12.7-146.3-122.7 124.9 -18.2 -8.8 -6.0 24 46 A S E +D 15 0B 114 -2,-0.5 -9,-0.2 -9,-0.2 2,-0.1 -0.724 44.5 147.6 -90.6 94.6 -19.7 -5.4 -6.6 25 47 A A E -D 14 0B 12 -11,-1.8 -11,-1.9 -2,-1.2 2,-0.3 -0.083 31.6-144.2-110.7-155.8 -17.7 -3.4 -4.2 26 48 A S E -DF 13 110B 16 84,-0.7 84,-3.0 -13,-0.3 2,-0.3 -0.964 10.7-118.4-162.9 169.3 -16.4 0.2 -4.1 27 49 A V E -DF 12 109B 0 -15,-1.9 -15,-1.6 -2,-0.3 2,-0.3 -0.869 16.9-153.7-118.7 157.8 -13.4 2.3 -3.0 28 50 A V E - F 0 108B 0 80,-1.8 80,-2.1 -2,-0.3 2,-0.3 -0.968 20.9-116.1-129.5 141.0 -13.1 5.1 -0.5 29 51 A I E - F 0 107B 0 -2,-0.3 78,-0.2 78,-0.2 5,-0.1 -0.577 39.2-103.9 -75.4 134.1 -10.6 8.1 -0.3 30 52 A D > - 0 0 0 76,-2.7 3,-2.2 -2,-0.3 4,-0.2 -0.313 28.7-119.5 -56.3 137.2 -8.3 8.2 2.8 31 53 A S G > S+ 0 0 1 136,-2.5 3,-1.8 1,-0.3 -1,-0.1 0.788 109.9 70.0 -56.1 -25.8 -9.5 10.8 5.3 32 54 A N G 3 S+ 0 0 23 135,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.814 95.5 53.8 -60.7 -23.2 -6.1 12.6 4.9 33 55 A W G < S+ 0 0 63 -3,-2.2 -1,-0.3 73,-0.2 -2,-0.2 0.444 96.7 97.4 -87.0 2.9 -7.1 13.7 1.3 34 56 A R S < S- 0 0 10 -3,-1.8 2,-0.4 -4,-0.2 36,-0.1 -0.466 84.1-100.4 -97.1 162.2 -10.4 15.2 2.7 35 57 A W - 0 0 86 35,-0.2 34,-2.2 -2,-0.2 2,-0.5 -0.649 32.3-157.6 -75.9 125.6 -11.4 18.7 3.6 36 58 A T E +B 68 0A 3 -2,-0.4 9,-2.2 10,-0.3 10,-1.7 -0.955 28.9 153.9-109.0 116.3 -11.2 19.3 7.4 37 59 A H E -BC 67 44A 5 30,-2.1 30,-2.7 -2,-0.5 7,-0.2 -0.777 47.0 -71.2-144.0 165.2 -13.5 22.2 8.4 38 60 A S E -B 66 0A 8 5,-2.5 28,-0.2 28,-0.2 3,-0.1 -0.311 33.4-133.1 -60.9 148.0 -15.5 23.6 11.4 39 61 A T S S+ 0 0 54 26,-2.0 -1,-0.1 1,-0.2 27,-0.1 0.722 106.0 57.4 -76.2 -15.4 -18.6 21.7 12.3 40 62 A E S S- 0 0 152 25,-0.3 -1,-0.2 3,-0.1 2,-0.2 0.818 123.2 -39.3 -82.1 -35.1 -20.3 25.2 12.4 41 63 A D S S- 0 0 70 2,-0.2 -35,-0.1 -3,-0.1 -4,-0.1 -0.565 84.2 -48.6-160.8-136.2 -19.6 26.3 8.8 42 64 A T S S+ 0 0 83 -2,-0.2 2,-0.2 -5,-0.1 -3,-0.1 0.318 76.8 126.1-111.6 1.7 -17.0 26.4 6.1 43 65 A T - 0 0 66 1,-0.1 -5,-2.5 -6,-0.1 2,-0.2 -0.470 63.2-115.0 -68.7 129.9 -13.9 27.6 7.9 44 66 A N B -C 37 0A 54 -7,-0.2 -7,-0.3 -2,-0.2 11,-0.2 -0.435 24.3-172.9 -58.1 129.5 -10.9 25.4 7.5 45 67 A a S S+ 0 0 0 -9,-2.2 7,-3.6 1,-0.3 2,-0.5 0.760 90.0 41.5 -83.3 -34.8 -9.6 23.6 10.6 46 68 A Y E S+U 51 0C 20 -10,-1.7 2,-0.5 5,-0.3 -10,-0.3 -0.974 80.2 179.5-113.1 119.2 -6.6 22.4 8.5 47 69 A D E > -U 50 0C 98 3,-3.5 3,-1.1 -2,-0.5 2,-0.9 -0.941 59.5 -37.3-136.7 107.8 -5.4 25.2 6.3 48 70 A G T 3 S- 0 0 43 -2,-0.5 -2,-0.0 1,-0.2 3,-0.0 -0.671 124.6 -33.7 74.4-108.7 -2.5 24.8 4.0 49 71 A N T 3 S+ 0 0 24 -2,-0.9 2,-0.3 2,-0.1 -1,-0.2 0.027 126.3 72.4-131.8 36.1 -0.3 22.6 6.1 50 72 A E E < S-U 47 0C 112 -3,-1.1 -3,-3.5 143,-0.1 2,-0.2 -0.981 77.9-114.3-140.3 152.7 -1.1 24.0 9.6 51 73 A W E -U 46 0C 26 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.612 40.5 -97.7 -85.5 153.3 -4.1 23.7 11.8 52 74 A D > - 0 0 49 -7,-3.6 4,-2.2 -2,-0.2 -1,-0.1 -0.467 31.9-149.7 -66.0 122.8 -6.3 26.8 12.7 53 75 A S T 4 S+ 0 0 97 -2,-0.3 -1,-0.2 1,-0.2 -8,-0.0 0.801 91.7 49.8 -79.8 -15.2 -5.0 27.9 16.1 54 76 A T T 4 S+ 0 0 125 1,-0.1 -1,-0.2 2,-0.1 -9,-0.1 0.949 119.5 35.4 -76.6 -47.6 -8.3 29.3 17.2 55 77 A L T 4 S+ 0 0 31 1,-0.2 10,-0.3 -11,-0.2 -2,-0.2 0.760 128.7 38.3 -74.7 -27.9 -10.3 26.3 16.3 56 78 A b < + 0 0 11 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.1 -0.503 59.8 144.0-127.3 68.9 -7.6 23.9 17.2 57 79 A P S S+ 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.724 83.4 3.5 -80.8 -18.7 -5.7 25.1 20.4 58 80 A D S > S- 0 0 59 -3,-0.2 4,-2.5 131,-0.1 5,-0.2 -0.933 85.1-100.9-152.0 170.7 -5.2 21.4 21.5 59 81 A A H > S+ 0 0 11 -2,-0.3 4,-3.2 1,-0.2 127,-0.6 0.883 118.0 52.3 -68.6 -37.2 -6.1 18.1 20.0 60 82 A D H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 114.0 42.8 -64.6 -41.7 -9.3 17.5 22.2 61 83 A T H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.944 114.1 52.0 -69.9 -44.3 -10.8 21.0 21.2 62 84 A b H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.937 109.6 49.5 -54.5 -48.3 -9.7 20.5 17.6 63 85 A T H < S+ 0 0 7 -4,-3.2 -61,-0.3 1,-0.2 -1,-0.2 0.906 112.5 47.4 -60.0 -42.3 -11.5 17.1 17.6 64 86 A E H < S+ 0 0 137 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.886 117.9 41.3 -64.9 -38.1 -14.7 18.5 19.0 65 87 A N H < S+ 0 0 46 -4,-2.5 -26,-2.0 -10,-0.3 -25,-0.3 0.607 105.6 70.1 -89.3 -13.1 -14.7 21.6 16.6 66 88 A a E < - B 0 38A 0 -4,-1.5 -64,-0.8 -28,-0.2 2,-0.3 -0.750 52.0-172.0-118.2 160.1 -13.7 19.9 13.3 67 89 A A E -aB 2 37A 1 -30,-2.7 -30,-2.1 -2,-0.3 2,-0.4 -0.969 21.3-129.7-142.8 152.3 -15.2 17.5 10.8 68 90 A I E -aB 3 36A 0 -66,-2.6 -64,-2.6 -2,-0.3 -32,-0.2 -0.886 33.2-139.0-106.9 137.0 -14.1 15.7 7.7 69 91 A D - 0 0 2 -34,-2.2 -34,-0.2 -2,-0.4 -64,-0.1 -0.435 14.1 -94.8-103.9 173.8 -16.3 16.0 4.6 70 92 A G - 0 0 9 -63,-0.8 2,-0.5 -66,-0.1 -61,-0.2 -0.180 17.5-138.1 -81.9 168.0 -17.6 13.8 1.9 71 93 A V - 0 0 2 -64,-0.1 -61,-2.9 -37,-0.1 2,-0.1 -0.987 28.4-158.8-124.1 114.4 -16.4 13.1 -1.6 72 94 A D > - 0 0 37 -2,-0.5 4,-1.2 -63,-0.2 3,-0.3 -0.281 35.0 -86.5 -94.8-176.3 -19.3 13.0 -4.0 73 95 A Q H > S+ 0 0 133 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.884 125.9 45.5 -60.3 -43.5 -19.6 11.5 -7.4 74 96 A G H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.1 3,-0.4 0.826 103.8 62.8 -65.2 -39.7 -18.2 14.4 -9.3 75 97 A T H >>S+ 0 0 27 -3,-0.3 4,-2.4 1,-0.2 5,-1.6 0.786 89.1 68.4 -62.1 -33.0 -15.2 15.1 -6.9 76 98 A W H <5S+ 0 0 3 -4,-1.2 6,-2.4 -3,-0.4 4,-0.5 0.952 111.2 31.5 -54.6 -52.3 -13.5 11.7 -7.6 77 99 A G H X5S+ 0 0 34 -4,-0.6 4,-1.4 -3,-0.4 -2,-0.2 0.963 126.6 38.7 -70.0 -54.8 -12.7 12.7 -11.2 78 100 A D H <5S+ 0 0 104 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.748 126.6 28.3 -87.0 -12.5 -12.2 16.4 -10.9 79 101 A T T <5S+ 0 0 42 -4,-2.4 23,-0.4 -5,-0.2 16,-0.2 0.795 137.0 23.5 -96.1 -42.3 -10.4 16.9 -7.6 80 102 A Y T 4 -G 88 0B 79 3,-2.0 3,-2.3 -2,-0.3 2,-0.2 -0.862 66.7 -30.8-157.5 135.4 -15.2 1.2 -14.7 86 108 A G T 3 S- 0 0 56 -2,-0.3 -71,-2.5 1,-0.3 334,-0.0 -0.455 128.6 -23.3 58.2-121.4 -15.9 -2.5 -14.3 87 109 A S T 3 S+ 0 0 23 -2,-0.2 334,-1.0 -73,-0.2 335,-0.5 0.151 116.7 101.9-106.0 14.2 -12.9 -4.0 -12.5 88 110 A K E < -GH 85 420B 92 -3,-2.3 -3,-2.0 332,-0.2 2,-0.4 -0.885 45.5-175.2-107.1 134.8 -10.4 -1.2 -13.5 89 111 A L E -GH 84 419B 1 330,-3.6 330,-3.2 -2,-0.4 2,-0.5 -0.997 5.5-163.5-126.4 135.2 -9.3 1.7 -11.3 90 112 A T E -GH 83 418B 30 -7,-2.9 -7,-1.8 -2,-0.4 2,-0.4 -0.964 2.2-163.1-123.0 126.7 -7.0 4.6 -12.4 91 113 A L E - 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