==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOSIDASE 05-JUN-98 1BHE . COMPND 2 MOLECULE: POLYGALACTURONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PECTOBACTERIUM CAROTOVORUM SUBSP. . AUTHOR R.PICKERSGILL,D.SMITH,K.WORBOYS,J.JENKINS . 376 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15831.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 170 45.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 45 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 1 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 . 4 2 7 7 5 1 0 0 2 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 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 S 0 0 52 0, 0.0 240,-0.2 0, 0.0 210,-0.1 0.000 360.0 360.0 360.0 147.5 47.1 8.1 71.3 2 2 A D - 0 0 12 210,-0.2 238,-0.2 237,-0.2 237,-0.1 -0.418 360.0-140.7 -53.7 139.2 45.8 8.8 74.8 3 3 A S S S+ 0 0 82 236,-0.3 2,-0.1 235,-0.2 -1,-0.1 0.635 76.6 83.3 -83.9 -13.2 46.6 5.8 77.1 4 4 A R S S- 0 0 57 235,-0.1 2,-0.5 1,-0.1 -2,-0.1 -0.485 88.7-110.1 -84.1 160.1 43.3 6.1 78.9 5 5 A T - 0 0 148 -2,-0.1 2,-0.5 2,-0.0 -2,-0.1 -0.784 42.9-169.1 -86.5 121.9 40.0 4.7 77.7 6 6 A V + 0 0 45 -2,-0.5 2,-0.2 -4,-0.1 -4,-0.0 -0.970 13.4 168.5-122.5 120.2 37.9 7.8 76.9 7 7 A S - 0 0 98 -2,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.722 52.3 -60.9-122.7 166.8 34.2 7.8 76.2 8 8 A E - 0 0 72 -2,-0.2 -1,-0.1 1,-0.1 157,-0.0 -0.253 61.6-112.7 -53.7 130.6 31.8 10.7 75.8 9 9 A P - 0 0 18 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.179 22.2-140.6 -58.2 153.0 31.6 12.8 79.0 10 10 A K - 0 0 181 155,-0.0 155,-0.0 0, 0.0 0, 0.0 -0.956 22.9-115.6-116.1 134.1 28.4 12.8 81.1 11 11 A T - 0 0 62 -2,-0.4 55,-0.1 1,-0.1 30,-0.0 -0.582 31.2-120.2 -76.1 135.1 27.3 16.1 82.6 12 12 A P - 0 0 24 0, 0.0 28,-0.2 0, 0.0 2,-0.1 -0.203 27.1-104.0 -65.2 156.0 27.3 16.2 86.4 13 13 A S - 0 0 74 26,-0.4 28,-2.0 1,-0.1 2,-0.2 -0.447 46.6-100.0 -75.7 154.8 24.1 16.9 88.4 14 14 A S E -a 41 0A 46 26,-0.2 28,-0.2 1,-0.1 3,-0.1 -0.585 26.1-169.1 -82.4 144.0 24.0 20.4 89.9 15 15 A a E S+ 0 0 39 26,-2.6 2,-0.3 1,-0.4 27,-0.2 0.773 81.5 5.3 -90.7 -36.8 24.8 21.2 93.5 16 16 A T E -a 42 0A 51 25,-0.9 27,-3.0 2,-0.0 2,-0.5 -0.982 67.2-143.6-145.8 147.8 23.5 24.7 93.3 17 17 A T E -a 43 0A 64 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.986 15.0-167.0-122.1 126.9 21.7 26.7 90.6 18 18 A L E -a 44 0A 33 25,-3.0 27,-2.9 -2,-0.5 2,-0.5 -0.863 9.7-146.4-112.2 144.7 22.3 30.5 90.1 19 19 A K E -a 45 0A 151 -2,-0.3 27,-0.2 25,-0.2 28,-0.2 -0.954 22.0-121.2-115.4 127.9 20.2 32.9 88.1 20 20 A A + 0 0 2 25,-2.0 29,-2.0 -2,-0.5 28,-0.6 -0.453 37.9 160.9 -71.2 142.5 21.9 35.7 86.2 21 21 A D - 0 0 72 2,-0.3 30,-0.2 27,-0.2 4,-0.1 -0.451 55.8 -79.1-133.7-153.9 20.9 39.4 86.8 22 22 A S S S+ 0 0 111 -2,-0.2 2,-0.1 2,-0.1 3,-0.1 0.427 94.3 96.1 -98.8 2.9 22.6 42.7 86.1 23 23 A S S S- 0 0 63 1,-0.1 30,-0.6 2,-0.0 2,-0.3 -0.385 89.0 -85.6 -87.9 167.0 25.1 42.7 89.1 24 24 A T B -b 53 0A 91 1,-0.1 4,-0.2 -2,-0.1 30,-0.2 -0.558 39.7-164.8 -69.7 129.2 28.7 41.5 89.2 25 25 A A > + 0 0 5 28,-3.3 4,-2.8 -2,-0.3 5,-0.3 0.483 53.6 105.4 -99.1 -3.1 28.7 37.8 89.8 26 26 A T H > S+ 0 0 38 27,-0.5 4,-2.6 1,-0.2 5,-0.2 0.887 88.6 34.9 -45.9 -61.3 32.3 37.0 90.8 27 27 A S H > S+ 0 0 91 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.841 115.6 56.7 -69.9 -30.0 31.8 36.4 94.5 28 28 A T H > S+ 0 0 68 -4,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.935 113.1 40.8 -64.7 -44.4 28.4 34.8 94.1 29 29 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.931 115.1 51.0 -68.5 -44.9 29.8 32.2 91.7 30 30 A Q H X S+ 0 0 36 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.923 108.8 51.4 -59.4 -44.8 33.0 31.7 93.8 31 31 A K H < S+ 0 0 164 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.929 111.5 47.6 -58.3 -44.3 30.9 31.2 97.0 32 32 A A H >< S+ 0 0 11 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.896 111.5 50.3 -63.6 -42.0 28.8 28.6 95.2 33 33 A L H >< S+ 0 0 3 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.889 105.5 58.1 -64.5 -36.8 31.9 26.8 93.9 34 34 A N T 3< S+ 0 0 107 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.479 112.2 38.7 -72.9 -4.5 33.4 26.8 97.4 35 35 A N T < S+ 0 0 136 -3,-1.2 2,-0.5 -4,-0.3 -1,-0.2 -0.073 85.5 126.0-134.5 34.8 30.4 24.8 98.9 36 36 A a < - 0 0 14 -3,-1.1 3,-0.1 4,-0.1 6,-0.1 -0.815 62.2-113.4-101.1 126.6 29.7 22.3 96.0 37 37 A D > - 0 0 99 -2,-0.5 3,-1.9 1,-0.1 -22,-0.1 -0.202 42.8 -89.6 -55.7 144.6 29.6 18.6 96.7 38 38 A Q T 3 S+ 0 0 171 1,-0.3 25,-0.2 25,-0.1 -1,-0.1 -0.264 113.8 20.4 -53.9 133.3 32.2 16.4 95.0 39 39 A G T 3 S+ 0 0 48 23,-2.9 -26,-0.4 1,-0.3 -1,-0.3 0.462 107.6 97.2 83.8 2.7 31.1 15.2 91.6 40 40 A K < - 0 0 74 -3,-1.9 24,-1.7 22,-0.4 2,-0.3 -0.632 61.8-131.9-115.5 175.2 28.5 17.9 91.1 41 41 A A E -ac 14 64A 0 -28,-2.0 -26,-2.6 -2,-0.2 -25,-0.9 -0.949 17.0-117.2-132.8 152.4 28.5 21.3 89.4 42 42 A V E -ac 16 65A 0 22,-2.4 24,-2.7 -2,-0.3 2,-0.5 -0.767 40.6-141.9 -81.6 123.8 27.5 24.9 90.0 43 43 A R E -ac 17 66A 96 -27,-3.0 -25,-3.0 -2,-0.5 2,-0.7 -0.819 9.0-154.5 -98.4 128.6 24.8 25.5 87.4 44 44 A L E +ac 18 67A 0 22,-2.8 24,-2.4 -2,-0.5 2,-0.2 -0.885 26.2 167.1-104.7 105.8 24.5 28.9 85.7 45 45 A S E -a 19 0A 10 -27,-2.9 -25,-2.0 -2,-0.7 2,-0.1 -0.682 38.3 -86.5-115.1 168.4 21.0 29.6 84.5 46 46 A A + 0 0 52 -27,-0.2 4,-0.2 -2,-0.2 2,-0.1 -0.443 46.0 157.5 -76.1 149.2 19.1 32.6 83.2 47 47 A G S S- 0 0 39 2,-3.1 -26,-0.2 -27,-0.4 -27,-0.1 -0.171 78.1 -28.1-131.1-119.5 17.4 35.1 85.6 48 48 A S S S+ 0 0 100 -28,-0.6 2,-0.2 -2,-0.1 -27,-0.2 0.758 142.1 21.2 -74.2 -24.7 16.5 38.7 84.6 49 49 A T S S- 0 0 40 -29,-2.0 -2,-3.1 2,-0.1 -29,-0.3 -0.762 71.0-136.3-128.3-179.7 19.5 38.4 82.2 50 50 A S S S+ 0 0 49 -2,-0.2 22,-2.6 -4,-0.2 2,-0.5 0.062 77.6 91.0-122.7 16.6 21.4 35.5 80.7 51 51 A V E - d 0 72A 33 -30,-0.2 2,-0.7 20,-0.2 -30,-0.2 -0.971 56.0-160.6-122.9 122.7 24.8 36.9 81.3 52 52 A F E - d 0 73A 7 20,-2.9 22,-2.9 -2,-0.5 2,-0.6 -0.911 15.4-157.7 -97.0 112.1 27.0 36.3 84.3 53 53 A L E +bd 24 74A 56 -2,-0.7 -28,-3.3 -30,-0.6 -27,-0.5 -0.851 28.5 154.9 -94.9 119.8 29.6 39.1 84.4 54 54 A S E - d 0 75A 0 20,-2.4 22,-2.1 -2,-0.6 3,-0.1 -0.972 38.1-140.8-146.7 160.7 32.7 38.0 86.5 55 55 A G S S- 0 0 4 -2,-0.3 27,-0.1 1,-0.3 26,-0.0 -0.217 70.1 -22.3 -99.5-164.0 36.4 38.4 87.2 56 56 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 -0.104 63.6-167.1 -49.1 134.2 38.8 35.5 88.0 57 57 A L E -t 103 0B 6 45,-2.9 47,-2.2 44,-0.2 2,-0.5 -0.920 12.0-143.2-123.3 148.6 37.3 32.3 89.4 58 58 A S E -t 104 0B 60 -2,-0.3 47,-0.2 45,-0.2 45,-0.1 -0.954 10.2-147.3-114.9 127.8 38.9 29.3 91.0 59 59 A L - 0 0 3 45,-2.8 47,-0.4 -2,-0.5 3,-0.1 -0.828 17.8-139.6 -96.9 113.1 37.6 25.8 90.4 60 60 A P > - 0 0 34 0, 0.0 3,-1.7 0, 0.0 2,-0.1 -0.218 33.4 -83.1 -69.3 157.2 38.0 23.5 93.4 61 61 A S T 3 S+ 0 0 64 1,-0.3 49,-0.1 45,-0.2 3,-0.1 -0.391 114.8 11.0 -62.4 133.5 39.0 19.8 93.0 62 62 A G T 3 S+ 0 0 6 47,-0.8 -23,-2.9 1,-0.3 -22,-0.4 0.427 107.0 109.2 79.5 -3.3 36.1 17.5 92.2 63 63 A V < - 0 0 7 -3,-1.7 49,-0.9 -25,-0.2 -1,-0.3 -0.803 48.6-165.6-106.9 147.8 33.8 20.5 91.4 64 64 A S E -ce 41 112A 3 -24,-1.7 -22,-2.4 -2,-0.3 2,-0.4 -0.821 17.7-127.1-129.2 170.4 32.6 21.5 88.0 65 65 A L E -ce 42 113A 2 47,-2.0 49,-2.9 -2,-0.3 2,-0.4 -0.968 19.1-167.6-118.7 135.4 30.9 24.4 86.2 66 66 A L E -ce 43 114A 21 -24,-2.7 -22,-2.8 -2,-0.4 2,-0.5 -0.995 1.1-167.1-126.7 121.1 27.7 24.0 84.2 67 67 A I E -c 44 0A 0 47,-2.4 50,-2.5 -2,-0.4 -22,-0.1 -0.960 20.5-128.9-114.4 118.9 26.5 26.7 81.8 68 68 A D > - 0 0 28 -24,-2.4 3,-2.3 -2,-0.5 50,-0.3 -0.220 35.1 -83.4 -64.6 156.8 23.0 26.5 80.4 69 69 A K T 3 S+ 0 0 166 1,-0.3 48,-0.2 46,-0.2 -1,-0.1 -0.271 119.3 17.3 -52.5 137.1 22.1 26.8 76.7 70 70 A G T 3 S+ 0 0 65 46,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.468 102.1 114.1 76.5 -2.3 21.7 30.5 75.9 71 71 A V < - 0 0 2 -3,-2.3 47,-2.3 -27,-0.1 2,-0.4 -0.816 50.0-156.7-103.0 146.8 23.6 31.6 79.0 72 72 A T E -df 51 118A 23 -22,-2.6 -20,-2.9 -2,-0.3 2,-0.7 -0.987 13.2-155.5-125.5 131.8 27.0 33.3 78.8 73 73 A L E -df 52 119A 0 45,-3.1 47,-2.3 -2,-0.4 2,-0.5 -0.946 31.0-166.8 -99.8 109.7 29.7 33.5 81.5 74 74 A R E -df 53 120A 75 -22,-2.9 -20,-2.4 -2,-0.7 2,-0.3 -0.898 19.9-128.7-111.6 130.5 31.5 36.7 80.4 75 75 A A E -d 54 0A 3 45,-2.7 -20,-0.2 -2,-0.5 -22,-0.1 -0.545 35.9-110.1 -73.2 128.2 34.9 38.0 81.6 76 76 A V - 0 0 13 -22,-2.1 2,-1.6 -2,-0.3 -1,-0.1 -0.275 21.5-124.1 -60.1 142.6 34.7 41.7 82.7 77 77 A N S S+ 0 0 29 49,-0.1 51,-3.0 -3,-0.1 52,-0.4 -0.482 74.8 111.3 -87.4 67.1 36.4 44.1 80.4 78 78 A N - 0 0 25 -2,-1.6 4,-0.4 49,-0.2 3,-0.1 -0.963 54.2-158.0-145.6 121.1 38.7 45.5 83.2 79 79 A A S > S+ 0 0 1 -2,-0.4 3,-1.5 1,-0.2 4,-0.5 0.910 93.9 55.5 -70.5 -40.5 42.4 45.0 83.4 80 80 A K G > S+ 0 0 141 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.852 98.1 65.4 -61.5 -30.9 42.7 45.7 87.1 81 81 A S G 3 S+ 0 0 59 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.2 0.733 109.2 37.5 -62.9 -24.7 40.2 42.9 87.8 82 82 A F G < S+ 0 0 1 -3,-1.5 18,-3.4 -4,-0.4 -1,-0.3 0.321 89.3 121.0-107.7 2.1 42.6 40.3 86.4 83 83 A E B < -E 99 0C 53 -3,-1.1 16,-0.2 -4,-0.5 15,-0.1 -0.348 43.8-166.2 -70.0 152.2 45.9 41.6 87.8 84 84 A N S S+ 0 0 70 14,-1.4 -1,-0.1 1,-0.2 15,-0.1 0.307 80.6 22.1-114.8 4.4 48.1 39.6 90.1 85 85 A A S > S- 0 0 41 13,-0.4 3,-2.5 -5,-0.1 4,-0.3 -0.971 108.8 -63.2-163.3 154.6 50.1 42.6 91.1 86 86 A P T 3 S- 0 0 117 0, 0.0 -2,-0.0 0, 0.0 -6,-0.0 -0.230 118.9 -15.5 -46.8 113.4 49.7 46.4 91.1 87 87 A S T 3 S+ 0 0 91 1,-0.1 11,-0.1 -2,-0.1 -7,-0.1 0.720 97.7 129.4 62.1 25.9 49.3 47.5 87.4 88 88 A S < + 0 0 10 -3,-2.5 3,-0.3 10,-0.2 2,-0.3 0.643 53.6 71.0 -84.1 -15.4 50.6 44.1 86.1 89 89 A b S S+ 0 0 3 -4,-0.3 61,-0.1 1,-0.2 -6,-0.1 -0.751 91.8 21.4-110.8 148.2 47.7 43.4 83.7 90 90 A G S S+ 0 0 3 59,-1.9 2,-0.3 -2,-0.3 -1,-0.2 0.802 99.4 104.3 73.2 28.6 46.6 45.0 80.4 91 91 A V - 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