==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-NOV-01 1KCD . COMPND 2 MOLECULE: ENDOPOLYGALACTURONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHONDROSTEREUM PURPUREUM; . AUTHOR T.SHIMIZU,T.NAKATSU,K.MIYAIRI,T.OKUNO,H.KATO . 333 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 78.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 165 49.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 41 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.9 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+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 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 RESIDUES PER ALPHA HELIX . 2 4 12 6 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 0 1 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 3 A a 0 0 91 0, 0.0 18,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 11.6 57.8 58.6 -8.6 2 4 A T E -a 19 0A 61 16,-0.2 2,-0.7 18,-0.1 18,-0.2 -0.961 360.0-147.3-112.5 128.8 55.2 61.1 -7.5 3 5 A V E +a 20 0A 0 16,-3.3 18,-2.3 -2,-0.5 3,-0.1 -0.883 32.3 156.1 -99.5 114.5 51.9 61.0 -9.3 4 6 A K + 0 0 126 -2,-0.7 2,-0.3 16,-0.1 -1,-0.1 0.258 66.9 18.4-116.5 4.5 50.3 64.4 -9.6 5 7 A S S > S- 0 0 40 18,-0.1 4,-1.1 1,-0.1 -1,-0.1 -0.972 85.0 -95.0-165.4 166.3 48.1 63.7 -12.7 6 8 A V T 4 S+ 0 0 15 -2,-0.3 4,-0.5 18,-0.3 3,-0.3 0.867 124.1 51.4 -59.0 -39.3 46.5 60.9 -14.7 7 9 A D T >4 S+ 0 0 100 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.904 102.1 59.0 -70.3 -31.9 49.5 61.0 -17.1 8 10 A D G >4 S+ 0 0 51 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.833 93.4 68.3 -62.3 -30.5 52.0 60.8 -14.3 9 11 A A G >< S+ 0 0 3 -4,-1.1 3,-0.8 -3,-0.3 25,-0.4 0.774 92.0 59.8 -61.1 -23.7 50.5 57.4 -13.3 10 12 A K G < S+ 0 0 149 -3,-1.4 -1,-0.3 -4,-0.5 3,-0.3 0.571 99.0 60.3 -81.6 -5.3 51.8 55.9 -16.5 11 13 A D G < S+ 0 0 121 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.028 71.1 98.5-110.3 20.0 55.4 56.8 -15.5 12 14 A I X + 0 0 5 -3,-0.8 3,-2.5 2,-0.1 24,-0.4 0.476 42.9 126.1 -95.4 4.5 55.8 54.8 -12.2 13 15 A A T 3 S+ 0 0 86 -3,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.402 77.4 26.4 -63.3 131.0 57.6 51.8 -13.6 14 16 A G T 3 S+ 0 0 62 1,-0.2 2,-0.7 -2,-0.1 -1,-0.3 0.248 91.8 124.0 97.9 -9.8 60.8 51.3 -11.6 15 17 A a < + 0 0 8 -3,-2.5 21,-0.6 1,-0.2 -1,-0.2 -0.768 33.9 178.1 -87.0 116.2 59.4 53.1 -8.5 16 18 A S S S+ 0 0 92 -2,-0.7 24,-2.6 1,-0.2 2,-0.4 0.638 83.6 41.5 -82.9 -15.6 59.5 51.0 -5.3 17 19 A A E S- b 0 40A 62 22,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.963 75.2-176.5-133.4 111.3 58.0 54.0 -3.4 18 20 A V E - b 0 41A 1 22,-2.9 24,-2.9 -2,-0.4 2,-0.5 -0.929 13.6-153.5-107.6 135.5 55.2 55.9 -5.2 19 21 A T E -ab 2 42A 49 -18,-2.5 -16,-3.3 -2,-0.4 2,-0.8 -0.945 6.9-156.4-107.1 124.8 53.6 59.0 -3.7 20 22 A L E -ab 3 43A 0 22,-3.0 24,-3.3 -2,-0.5 25,-0.8 -0.894 16.4-162.0-103.4 101.6 50.1 59.6 -4.9 21 23 A N - 0 0 46 -18,-2.3 2,-0.2 -2,-0.8 24,-0.2 -0.282 25.8 -93.4 -76.1 169.1 49.4 63.3 -4.6 22 24 A G + 0 0 36 22,-0.2 2,-0.3 25,-0.1 25,-0.2 -0.587 62.0 130.6 -81.8 146.2 45.9 64.8 -4.6 23 25 A F E -c 47 0A 30 23,-1.0 25,-2.0 -2,-0.2 2,-0.5 -0.957 55.2 -87.4-174.1 174.8 44.4 66.1 -7.9 24 26 A T E -c 48 0A 80 -2,-0.3 -18,-0.3 23,-0.2 25,-0.2 -0.868 24.7-140.9-100.2 133.5 41.3 65.9 -10.0 25 27 A V E -c 49 0A 2 23,-3.0 25,-2.0 -2,-0.5 3,-0.1 -0.859 35.4-133.8 -85.5 112.1 40.8 63.1 -12.5 26 28 A P > - 0 0 63 0, 0.0 3,-1.7 0, 0.0 26,-0.0 -0.200 29.7 -75.0 -70.9 163.1 39.2 65.1 -15.3 27 29 A A T 3 S+ 0 0 59 1,-0.3 25,-0.2 24,-0.1 24,-0.1 -0.186 119.3 22.3 -48.1 140.1 36.1 64.1 -17.3 28 30 A G T 3 S+ 0 0 45 1,-0.2 2,-0.3 22,-0.2 -1,-0.3 0.578 104.8 102.1 75.4 12.7 36.9 61.3 -19.7 29 31 A N < - 0 0 60 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.2 -0.872 51.9-156.4-121.7 159.7 40.0 60.1 -18.0 30 32 A T - 0 0 51 -2,-0.3 2,-0.6 -3,-0.1 29,-0.2 -0.923 17.5-129.9-128.3 159.4 40.8 57.2 -15.7 31 33 A L E +d 59 0A 0 27,-2.6 29,-2.3 -2,-0.3 2,-0.5 -0.939 29.6 179.7-112.5 114.8 43.5 56.8 -13.2 32 34 A V E -d 60 0A 54 -2,-0.6 2,-0.5 -26,-0.3 29,-0.2 -0.973 8.2-172.0-122.8 123.2 45.4 53.5 -13.6 33 35 A L E +d 61 0A 0 27,-2.8 29,-2.2 -2,-0.5 -23,-0.1 -0.975 11.4 174.7-119.0 122.9 48.3 52.4 -11.4 34 36 A N - 0 0 95 -2,-0.5 29,-0.2 -25,-0.4 3,-0.1 -0.750 25.3-170.1-119.5 76.6 50.4 49.4 -12.3 35 37 A P - 0 0 10 0, 0.0 29,-0.3 0, 0.0 3,-0.1 -0.284 28.7 -89.3 -73.4 158.6 53.1 49.6 -9.6 36 38 A D > - 0 0 53 -21,-0.6 3,-2.3 -24,-0.4 -23,-0.0 -0.220 59.1 -79.8 -54.1 151.0 56.2 47.6 -9.4 37 39 A K T 3 S+ 0 0 124 1,-0.3 28,-0.2 -3,-0.1 -1,-0.1 -0.307 117.8 8.3 -54.9 134.8 56.1 44.3 -7.5 38 40 A G T 3 S+ 0 0 49 26,-2.9 -1,-0.3 1,-0.2 27,-0.1 0.482 94.6 152.4 72.7 5.9 56.3 44.9 -3.8 39 41 A A < - 0 0 0 -3,-2.3 28,-2.8 25,-0.3 2,-0.5 -0.262 42.7-132.8 -70.9 152.4 56.1 48.7 -4.1 40 42 A T E -be 17 67A 45 -24,-2.6 -22,-2.9 26,-0.2 2,-0.5 -0.927 17.7-164.5 -99.8 127.9 54.7 50.9 -1.5 41 43 A V E -be 18 68A 0 26,-2.6 28,-2.9 -2,-0.5 2,-0.5 -0.980 7.1-168.0-113.9 119.9 52.1 53.5 -2.7 42 44 A T E -be 19 69A 50 -24,-2.9 -22,-3.0 -2,-0.5 2,-0.4 -0.949 14.5-139.0-115.4 124.3 51.4 56.3 -0.3 43 45 A M E +b 20 0A 2 26,-2.7 -22,-0.2 -2,-0.5 30,-0.1 -0.664 23.2 173.3 -82.0 134.3 48.6 58.6 -0.7 44 46 A A + 0 0 51 -24,-3.3 2,-0.3 -2,-0.4 -22,-0.2 0.334 63.7 13.1-122.7 5.8 49.4 62.2 0.1 45 47 A G S S- 0 0 12 -25,-0.8 2,-0.3 -24,-0.2 -1,-0.1 -0.962 84.9 -82.0-164.7 175.6 46.2 64.0 -1.0 46 48 A D - 0 0 71 -2,-0.3 -23,-1.0 27,-0.1 2,-0.6 -0.688 32.9-143.0 -89.8 143.8 42.6 63.5 -2.0 47 49 A I E -cf 23 75A 0 27,-2.7 29,-3.0 -2,-0.3 2,-0.4 -0.944 14.9-165.1-111.9 120.0 41.7 62.5 -5.5 48 50 A T E -cf 24 76A 43 -25,-2.0 -23,-3.0 -2,-0.6 2,-0.7 -0.878 9.3-147.1-108.0 136.5 38.4 63.9 -6.9 49 51 A F E -c 25 0A 4 27,-2.6 3,-0.1 -2,-0.4 -25,-0.1 -0.884 15.3-138.3-109.3 111.5 36.8 62.6 -10.0 50 52 A A - 0 0 31 -25,-2.0 -22,-0.2 -2,-0.7 0, 0.0 -0.280 45.4 -76.0 -59.9 152.7 35.0 65.2 -12.1 51 53 A K - 0 0 116 -24,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.262 66.3-176.5 -56.3 133.7 31.6 64.1 -13.5 52 54 A T - 0 0 12 -25,-0.2 -25,-0.1 -3,-0.1 -1,-0.0 -0.885 40.5-145.1-135.7 157.1 32.3 61.7 -16.3 53 55 A T + 0 0 124 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.411 68.0 112.0 -99.3 -2.6 30.5 59.7 -19.0 54 56 A L S S- 0 0 52 -25,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.316 71.3-114.7 -68.9 152.3 33.0 56.8 -18.9 55 57 A D - 0 0 123 40,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.504 54.3 -75.2 -70.2 152.0 32.2 53.4 -17.6 56 58 A G S S+ 0 0 17 40,-0.7 42,-0.2 38,-0.3 40,-0.2 -0.344 92.2 84.4 -74.9 173.5 34.0 52.4 -14.5 57 59 A P + 0 0 43 0, 0.0 41,-0.2 0, 0.0 42,-0.2 0.380 47.5 175.9 -73.8 144.5 36.3 51.5 -13.1 58 60 A L S S+ 0 0 3 40,-1.6 -27,-2.6 39,-0.6 2,-0.4 0.731 76.0 34.3 -86.7 -21.0 37.5 55.1 -12.8 59 61 A F E S+dg 31 99A 3 39,-1.8 41,-2.4 -29,-0.2 2,-0.4 -0.998 70.3 178.5-132.8 129.5 40.5 54.0 -10.7 60 62 A T E -dg 32 100A 26 -29,-2.3 -27,-2.8 -2,-0.4 2,-0.4 -0.998 5.7-177.9-130.4 130.6 42.3 50.7 -11.2 61 63 A I E +dg 33 101A 0 39,-2.4 41,-2.7 -2,-0.4 2,-0.4 -0.997 9.4 170.8-126.2 134.2 45.3 49.5 -9.2 62 64 A D E + g 0 102A 64 -29,-2.2 2,-0.3 -2,-0.4 41,-0.2 -0.975 19.0 115.3-144.5 120.2 46.9 46.2 -10.2 63 65 A G E - g 0 103A 10 39,-1.4 41,-2.4 -2,-0.4 2,-0.5 -0.974 56.4 -95.2-171.8 176.2 50.1 44.8 -8.8 64 66 A T E S- 0 0 52 -29,-0.3 -26,-2.9 -2,-0.3 -25,-0.3 -0.921 98.5 -5.1-111.3 125.4 51.7 42.0 -6.8 65 67 A G E S+ 0 0 36 -2,-0.5 40,-0.3 -28,-0.2 2,-0.2 0.828 85.1 176.4 66.2 31.3 52.5 42.5 -3.1 66 68 A I E - g 0 105A 1 38,-2.2 40,-2.8 -3,-0.2 2,-0.6 -0.476 23.6-154.8 -73.4 138.9 51.5 46.1 -3.2 67 69 A N E -eg 40 106A 63 -28,-2.8 -26,-2.6 38,-0.2 2,-0.6 -0.918 14.9-170.1-111.6 103.9 51.6 48.0 0.1 68 70 A F E -eg 41 107A 2 38,-3.0 40,-2.5 -2,-0.6 2,-0.7 -0.869 5.0-168.6-105.0 119.1 49.0 50.9 -0.2 69 71 A V E -eg 42 108A 53 -28,-2.9 -26,-2.7 -2,-0.6 40,-0.1 -0.905 4.8-176.6-110.3 102.8 49.2 53.4 2.6 70 72 A G > - 0 0 0 38,-2.5 3,-2.3 -2,-0.7 39,-0.2 0.726 17.3-153.0 -81.3 -22.3 46.2 55.7 2.4 71 73 A A T 3 - 0 0 52 1,-0.3 39,-0.2 37,-0.2 38,-0.1 0.825 69.7 -64.6 52.8 35.5 47.0 58.0 5.3 72 74 A D T 3 S+ 0 0 113 37,-2.6 -1,-0.3 1,-0.2 38,-0.2 0.613 95.5 150.9 66.2 16.1 43.2 58.6 5.6 73 75 A H < - 0 0 44 -3,-2.3 38,-2.6 36,-0.5 2,-0.4 -0.254 37.2-121.6 -78.6 170.7 42.9 60.3 2.2 74 76 A I E - h 0 111A 37 36,-0.2 -27,-2.7 38,-0.1 2,-0.6 -0.909 13.2-155.4-122.0 137.9 39.8 60.2 0.0 75 77 A F E -fh 47 112A 0 36,-2.7 38,-2.7 -2,-0.4 2,-0.7 -0.968 28.7-158.1 -99.8 112.6 38.8 59.0 -3.5 76 78 A D E -fh 48 113A 35 -29,-3.0 -27,-2.6 -2,-0.6 38,-0.2 -0.861 15.9-175.7-104.1 111.9 35.7 61.3 -4.1 77 79 A G - 0 0 0 36,-2.9 37,-0.2 -2,-0.7 -1,-0.1 0.422 32.9-132.6 -88.1 -1.1 33.4 59.9 -6.7 78 80 A N > + 0 0 44 35,-0.4 3,-2.4 1,-0.1 4,-0.3 0.848 41.7 168.7 56.6 36.5 31.1 62.9 -6.8 79 81 A G G >> + 0 0 0 35,-2.4 3,-2.4 34,-0.3 4,-2.4 0.783 62.8 66.3 -59.6 -32.6 28.2 60.4 -6.5 80 82 A A G 34 S+ 0 0 67 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.685 91.2 65.4 -63.8 -17.4 25.5 63.0 -5.8 81 83 A L G <4 S+ 0 0 87 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.605 116.7 26.9 -75.0 -11.7 26.0 64.4 -9.3 82 84 A Y T <4 S+ 0 0 8 -3,-2.4 10,-0.2 -4,-0.3 -2,-0.2 0.680 89.3 112.6-115.3 -33.7 24.7 61.1 -10.6 83 85 A W < + 0 0 21 -4,-2.4 64,-0.2 1,-0.1 63,-0.1 -0.212 24.5 156.5 -54.2 132.6 22.3 59.6 -8.0 84 86 A D - 0 0 46 62,-0.5 -1,-0.1 8,-0.1 63,-0.1 0.132 66.7 -95.1-142.1 17.5 18.7 59.6 -9.2 85 87 A G S S+ 0 0 34 61,-2.2 62,-0.1 63,-0.0 -2,-0.1 0.422 111.2 81.7 86.3 -6.2 17.1 56.9 -7.1 86 88 A K >> - 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