==== 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 01-SEP-12 4GWA . COMPND 2 MOLECULE: GH7 FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LIMNORIA QUADRIPUNCTATA; . AUTHOR J.E.MCGEEHAN,R.N.A.MARTIN,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) . 33127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 565 65.5 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 . 246 28.5 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 . 81 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 10.1 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 1 4 1 0 1 3 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 . 11 8 10 7 4 3 4 2 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 2 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 23 A X 0 0 4 0, 0.0 161,-1.9 0, 0.0 160,-1.5 0.000 360.0 360.0 360.0 148.1 -13.0 12.8 13.4 2 24 A Q E -a 67 0A 57 64,-0.9 66,-2.4 61,-0.3 2,-0.3 -0.662 360.0-107.9 -89.4 157.6 -16.6 13.7 12.8 3 25 A A E -a 68 0A 35 -2,-0.3 66,-0.2 64,-0.2 2,-0.1 -0.702 26.2-140.8 -83.5 136.5 -18.1 13.9 9.4 4 26 A G - 0 0 7 64,-2.8 64,-0.1 -2,-0.3 35,-0.1 -0.297 3.8-143.7 -82.4 173.3 -19.0 17.2 7.8 5 27 A T S S+ 0 0 131 -2,-0.1 3,-0.1 64,-0.1 64,-0.1 0.219 71.8 98.4-129.5 15.4 -22.1 17.7 5.7 6 28 A E S S+ 0 0 110 1,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.854 92.1 29.6 -67.5 -37.8 -21.1 20.1 2.9 7 29 A T S S- 0 0 37 65,-0.0 63,-0.8 64,-0.0 -1,-0.2 -0.980 85.7-116.9-129.7 135.4 -20.5 17.3 0.4 8 30 A E - 0 0 162 -2,-0.4 2,-0.6 62,-0.2 -3,-0.1 -0.417 30.4-120.6 -66.8 148.1 -22.3 13.9 0.0 9 31 A E + 0 0 38 61,-0.2 2,-0.4 63,-0.1 63,-0.2 -0.829 34.8 174.0 -91.2 122.8 -20.1 10.8 0.5 10 32 A Y - 0 0 73 61,-2.9 2,-0.5 -2,-0.6 61,-0.1 -0.995 22.6-146.2-128.6 123.3 -20.0 8.4 -2.5 11 33 A H - 0 0 17 -2,-0.4 17,-0.2 17,-0.1 62,-0.0 -0.822 28.6-118.9 -86.8 132.8 -17.8 5.4 -2.7 12 34 A L E -D 27 0B 21 15,-1.3 15,-1.8 -2,-0.5 71,-0.0 -0.489 33.3-115.6 -75.7 123.2 -16.6 4.8 -6.4 13 35 A P E +D 26 0B 69 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.291 40.3 170.4 -63.3 143.0 -17.9 1.3 -7.5 14 36 A L E -D 25 0B 2 11,-1.8 11,-2.1 70,-0.1 2,-0.3 -0.968 21.5-143.5-150.3 132.7 -15.3 -1.3 -8.4 15 37 A T E +D 24 0B 46 71,-2.1 407,-0.4 -2,-0.3 2,-0.3 -0.739 24.3 166.5 -95.1 145.7 -15.8 -5.0 -9.1 16 38 A W E -D 23 0B 7 7,-2.0 7,-2.7 -2,-0.3 2,-0.5 -0.883 31.5-110.0-140.9-177.8 -13.4 -7.8 -8.0 17 39 A E E -De 22 423B 64 405,-2.5 407,-2.1 -2,-0.3 2,-0.5 -0.956 22.0-172.4-127.7 128.9 -13.4 -11.6 -7.7 18 40 A R E > S-De 21 424B 104 3,-2.9 3,-2.0 -2,-0.5 407,-0.2 -0.960 73.7 -29.7-124.4 111.0 -13.5 -13.6 -4.6 19 41 A D T 3 S- 0 0 94 405,-3.0 406,-0.2 -2,-0.5 -1,-0.1 0.870 128.2 -42.6 50.4 47.0 -13.1 -17.4 -4.8 20 42 A G T 3 S+ 0 0 59 404,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.345 118.3 104.0 88.0 -5.9 -14.7 -17.5 -8.3 21 43 A S E < S-D 18 0B 75 -3,-2.0 -3,-2.9 2,-0.0 -1,-0.2 -0.893 70.7-118.7-114.6 141.7 -17.6 -15.1 -7.7 22 44 A S E -D 17 0B 104 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.466 26.1-160.7 -72.0 140.3 -17.9 -11.5 -8.8 23 45 A V E -D 16 0B 19 -7,-2.7 -7,-2.0 -2,-0.1 2,-1.1 -0.996 10.7-147.0-128.0 121.7 -18.2 -9.0 -5.9 24 46 A S E +D 15 0B 110 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.1 -0.816 43.3 146.1 -92.6 103.8 -19.6 -5.5 -6.7 25 47 A A E -D 14 0B 13 -11,-2.1 -11,-1.8 -2,-1.1 2,-0.3 -0.156 32.4-140.7-116.9-154.1 -17.7 -3.3 -4.2 26 48 A S E -DF 13 110B 14 84,-0.7 84,-3.2 -13,-0.3 2,-0.3 -0.953 10.9-119.5-166.3 167.2 -16.3 0.2 -4.1 27 49 A V E -DF 12 109B 0 -15,-1.8 -15,-1.3 -2,-0.3 2,-0.4 -0.898 17.6-152.2-119.5 156.0 -13.4 2.3 -3.0 28 50 A V E - F 0 108B 0 80,-1.9 80,-1.9 -2,-0.3 2,-0.3 -0.966 22.1-113.4-128.9 145.3 -13.2 5.2 -0.5 29 51 A I E - F 0 107B 0 -2,-0.4 78,-0.2 78,-0.2 5,-0.1 -0.602 39.0-106.6 -78.4 134.2 -10.7 8.1 -0.4 30 52 A D > - 0 0 0 76,-2.6 3,-2.4 -2,-0.3 138,-0.2 -0.298 27.6-119.0 -55.6 135.9 -8.3 8.1 2.7 31 53 A S G > S+ 0 0 2 136,-2.3 3,-1.6 1,-0.3 -1,-0.1 0.725 109.2 69.0 -49.0 -31.2 -9.3 10.8 5.2 32 54 A N G 3 S+ 0 0 23 135,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.707 96.5 53.5 -65.4 -19.3 -5.9 12.6 4.8 33 55 A W G < S+ 0 0 60 -3,-2.4 -1,-0.3 73,-0.2 -2,-0.2 0.363 96.6 93.1 -92.6 5.5 -6.9 13.6 1.3 34 56 A R S < S- 0 0 13 -3,-1.6 2,-0.4 -4,-0.2 36,-0.1 -0.471 84.9 -98.1 -96.7 170.0 -10.1 15.2 2.5 35 57 A W - 0 0 87 35,-0.2 34,-2.1 -2,-0.1 2,-0.5 -0.709 32.3-158.4 -84.3 128.5 -11.1 18.8 3.5 36 58 A T E +B 68 0A 3 -2,-0.4 9,-2.7 10,-0.3 10,-1.5 -0.961 27.1 158.1-111.3 118.6 -11.0 19.3 7.3 37 59 A H E -BC 67 44A 6 30,-2.7 30,-2.6 -2,-0.5 7,-0.2 -0.843 42.9 -74.0-140.4 167.9 -13.2 22.3 8.4 38 60 A S E -B 66 0A 5 5,-3.0 28,-0.2 -2,-0.3 -1,-0.1 -0.225 29.8-133.3 -59.4 148.2 -15.0 23.8 11.2 39 61 A T S S+ 0 0 60 26,-1.7 -1,-0.1 1,-0.2 27,-0.1 0.502 106.4 56.4 -73.0 -10.3 -18.4 22.4 12.3 40 62 A E S S- 0 0 153 25,-0.3 2,-0.2 1,-0.1 -1,-0.2 0.841 124.0 -29.9 -93.2 -33.8 -19.7 26.0 12.4 41 63 A D S S- 0 0 80 2,-0.2 -1,-0.1 0, 0.0 -4,-0.0 -0.723 83.3 -63.3-163.3-159.8 -18.9 27.1 8.8 42 64 A T S S+ 0 0 82 -2,-0.2 2,-0.2 -5,-0.1 -3,-0.1 0.258 77.7 133.8 -94.0 14.0 -16.5 26.4 5.9 43 65 A T - 0 0 59 1,-0.1 -5,-3.0 -6,-0.1 2,-0.2 -0.475 61.4-115.7 -64.6 131.9 -13.4 27.7 7.8 44 66 A N B -C 37 0A 57 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.2 -0.443 24.2-170.0 -64.9 133.4 -10.5 25.3 7.3 45 67 A a S S+ 0 0 0 -9,-2.7 7,-2.8 1,-0.3 2,-0.6 0.784 90.3 41.8 -83.7 -38.8 -9.2 23.5 10.4 46 68 A Y E S-T 51 0C 21 -10,-1.5 2,-0.5 5,-0.2 -10,-0.3 -0.968 81.4-179.1-110.7 116.2 -6.3 22.3 8.4 47 69 A D E > -T 50 0C 92 3,-2.8 3,-1.1 -2,-0.6 2,-1.0 -0.911 59.4 -40.4-132.1 108.4 -5.1 25.1 6.2 48 70 A G T 3 S- 0 0 47 -2,-0.5 3,-0.0 1,-0.2 -2,-0.0 -0.727 124.7 -32.4 75.1-100.3 -2.1 24.6 3.8 49 71 A N T 3 S+ 0 0 25 -2,-1.0 2,-0.3 2,-0.1 -1,-0.2 0.079 126.2 68.7-137.0 29.0 0.1 22.5 6.1 50 72 A E E < S-T 47 0C 108 -3,-1.1 -3,-2.8 143,-0.1 2,-0.2 -0.970 77.5-112.6-140.1 156.5 -0.7 23.9 9.5 51 73 A W E -T 46 0C 26 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.627 38.2-101.3 -90.8 151.5 -3.8 23.7 11.8 52 74 A D > - 0 0 49 -7,-2.8 4,-2.5 -2,-0.2 -1,-0.1 -0.515 29.2-150.8 -68.0 121.9 -5.8 26.8 12.6 53 75 A S T 4 S+ 0 0 95 -2,-0.3 -1,-0.2 1,-0.2 -8,-0.0 0.712 92.7 52.2 -81.8 -10.5 -4.6 27.8 16.1 54 76 A T T 4 S+ 0 0 125 2,-0.1 -1,-0.2 1,-0.1 -9,-0.1 0.905 119.1 34.7 -77.1 -49.4 -8.0 29.4 17.1 55 77 A L T 4 S+ 0 0 28 1,-0.2 10,-0.3 -11,-0.2 -2,-0.2 0.824 131.3 35.5 -66.4 -36.2 -10.0 26.3 16.1 56 78 A b < + 0 0 11 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.1 -0.496 60.9 145.7-124.3 63.7 -7.2 23.9 17.2 57 79 A P S S+ 0 0 79 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.777 84.8 0.9 -73.6 -26.0 -5.5 25.3 20.3 58 80 A D S > S- 0 0 67 -3,-0.2 4,-2.7 131,-0.1 5,-0.2 -0.932 85.5 -99.7-149.0 168.9 -5.0 21.6 21.5 59 81 A A H > S+ 0 0 10 -2,-0.3 4,-2.9 1,-0.2 127,-0.5 0.873 118.6 51.9 -62.5 -34.7 -5.9 18.2 20.0 60 82 A D H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.919 113.7 42.9 -69.3 -39.0 -9.1 17.8 22.1 61 83 A T H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 113.8 52.8 -72.4 -40.5 -10.5 21.2 21.2 62 84 A b H X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.930 108.5 49.4 -58.6 -46.4 -9.5 20.6 17.6 63 85 A T H < S+ 0 0 7 -4,-2.9 3,-0.5 1,-0.2 -61,-0.3 0.907 111.8 50.1 -63.8 -35.7 -11.3 17.2 17.5 64 86 A E H < S+ 0 0 141 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.888 117.7 39.3 -64.7 -37.0 -14.4 18.8 18.9 65 87 A N H < S+ 0 0 40 -4,-2.0 -26,-1.7 -10,-0.3 -25,-0.3 0.501 103.8 73.7 -92.9 -9.2 -14.4 21.6 16.4 66 88 A a E < - B 0 38A 0 -4,-1.1 -64,-0.9 -3,-0.5 2,-0.3 -0.834 49.5-172.6-128.1 148.3 -13.4 20.0 13.1 67 89 A A E -aB 2 37A 2 -30,-2.6 -30,-2.7 -2,-0.3 2,-0.4 -0.986 20.5-133.4-136.4 144.5 -15.0 17.7 10.6 68 90 A I E -aB 3 36A 0 -66,-2.4 -64,-2.8 -2,-0.3 -32,-0.2 -0.829 32.2-141.0 -96.9 136.2 -13.9 15.8 7.5 69 91 A D - 0 0 2 -34,-2.1 -34,-0.1 -2,-0.4 -61,-0.1 -0.422 15.7 -91.1-103.3 172.4 -16.2 16.2 4.5 70 92 A G - 0 0 9 -63,-0.8 2,-0.5 -2,-0.1 -61,-0.2 -0.221 16.0-138.6 -77.3 165.4 -17.5 13.9 1.7 71 93 A V - 0 0 2 -64,-0.1 -61,-2.9 -61,-0.1 -42,-0.1 -0.983 30.4-158.4-120.2 111.9 -16.3 13.1 -1.7 72 94 A D >> - 0 0 54 -2,-0.5 4,-1.2 -63,-0.2 3,-0.7 -0.205 34.9 -85.8 -89.4-179.9 -19.3 13.0 -4.1 73 95 A Q H 3> S+ 0 0 134 1,-0.3 4,-0.6 2,-0.2 3,-0.3 0.897 128.1 41.5 -56.1 -45.1 -19.7 11.3 -7.5 74 96 A G H 3> S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.723 103.0 68.5 -74.5 -20.3 -18.2 14.2 -9.4 75 97 A T H <>>S+ 0 0 25 -3,-0.7 4,-2.4 1,-0.2 5,-1.5 0.848 87.4 67.4 -71.6 -31.7 -15.4 14.9 -7.0 76 98 A W H X5S+ 0 0 3 -4,-1.2 6,-2.6 -3,-0.3 4,-0.7 0.940 115.0 25.3 -53.5 -51.6 -13.6 11.5 -7.8 77 99 A G H X5S+ 0 0 29 -4,-0.6 4,-1.0 4,-0.3 -1,-0.2 0.930 125.2 46.5 -80.2 -47.8 -12.7 12.6 -11.3 78 100 A D H <5S+ 0 0 132 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.741 127.0 24.1 -71.3 -28.5 -12.7 16.4 -11.1 79 101 A T H <5S+ 0 0 54 -4,-2.4 23,-0.3 -5,-0.2 -3,-0.2 0.807 137.0 24.2-104.4 -39.5 -10.6 16.7 -7.9 80 102 A Y H < -G 88 0B 68 3,-2.1 3,-2.4 -2,-0.3 2,-0.2 -0.887 66.5 -41.5-152.6 125.1 -15.1 1.0 -14.9 86 108 A G T 3 S- 0 0 52 -2,-0.3 -71,-2.1 1,-0.3 334,-0.0 -0.434 128.2 -17.5 59.0-121.4 -16.0 -2.6 -14.2 87 109 A S T 3 S+ 0 0 23 -73,-0.2 334,-0.8 -2,-0.2 335,-0.4 0.212 117.4 101.9 -98.9 12.9 -12.9 -4.1 -12.4 88 110 A K E < -GH 85 420B 84 -3,-2.4 -3,-2.1 332,-0.2 2,-0.4 -0.810 45.8-177.5-107.2 133.3 -10.6 -1.3 -13.5 89 111 A L E -GH 84 419B 1 330,-3.2 330,-2.8 -2,-0.4 2,-0.5 -0.997 6.4-164.2-129.8 127.3 -9.4 1.6 -11.3 90 112 A T E -GH 83 418B 31 -7,-3.0 -7,-1.7 -2,-0.4 2,-0.4 -0.955 2.5-163.5-117.2 125.2 -7.2 4.4 -12.5 91 113 A L E - 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