==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-MAR-07 2UVE . COMPND 2 MOLECULE: EXOPOLYGALACTURONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA ENTEROCOLITICA; . AUTHOR D.W.ABBOTT,A.B.BORASTON . 1137 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 843 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 379 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 116 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 3 0 0 4 2 1 1 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 11 16 13 12 6 3 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 5 0 8 0 2 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 . 6 0 4 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 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 36 A D 0 0 162 0, 0.0 96,-0.2 0, 0.0 104,-0.1 0.000 360.0 360.0 360.0 147.4 11.1 36.0 66.7 2 37 A A - 0 0 26 105,-0.1 105,-0.1 1,-0.1 106,-0.1 -0.366 360.0 -98.8 -71.2 143.1 13.9 34.1 68.5 3 38 A P - 0 0 10 0, 0.0 106,-0.4 0, 0.0 2,-0.3 -0.385 46.7-134.4 -56.3 140.4 13.2 31.1 70.8 4 39 A Q E +A 23 0A 101 19,-0.6 19,-2.5 1,-0.2 104,-0.1 -0.735 63.3 11.7-104.2 150.0 13.2 32.2 74.5 5 40 A Q E - 0 0 125 -2,-0.3 2,-0.2 17,-0.2 -1,-0.2 0.823 60.8-174.3 60.7 44.9 14.8 30.9 77.7 6 41 A L E + 0 0 13 -3,-0.3 2,-0.3 103,-0.3 16,-0.2 -0.499 24.8 152.7 -58.2 135.0 17.1 28.1 76.5 7 42 A Q E -A 21 0A 60 14,-2.2 14,-2.3 -2,-0.2 106,-0.1 -0.980 51.9-112.1-164.1 153.4 18.4 26.5 79.7 8 43 A V - 0 0 38 -2,-0.3 12,-0.2 12,-0.2 3,-0.2 -0.935 44.7-123.2 -89.0 117.9 19.8 23.4 81.3 9 44 A P > - 0 0 1 0, 0.0 3,-2.6 0, 0.0 10,-0.2 -0.287 51.9 -64.4 -54.1 145.5 17.1 22.1 83.8 10 45 A T T 3 S- 0 0 33 1,-0.3 321,-0.1 320,-0.1 297,-0.0 -0.081 116.2 -15.0 -35.9 118.2 18.3 21.7 87.3 11 46 A L T 3 S+ 0 0 26 1,-0.2 2,-1.7 -3,-0.2 -1,-0.3 0.580 90.1 139.6 59.5 14.5 21.1 19.0 87.5 12 47 A A < + 0 0 1 -3,-2.6 7,-2.5 7,-0.1 2,-0.3 -0.307 54.3 71.6 -84.2 52.7 20.1 17.7 84.1 13 48 A Y B +B 18 0A 85 -2,-1.7 5,-0.2 5,-0.2 2,-0.2 -0.970 51.7 171.5-156.4 157.9 23.8 17.2 83.2 14 49 A D - 0 0 31 3,-2.4 102,-1.5 -2,-0.3 104,-0.1 -0.690 58.5 -55.2-145.2-152.9 26.7 14.9 84.1 15 50 A E S S+ 0 0 21 100,-0.2 103,-0.1 -2,-0.2 100,-0.1 0.602 132.7 18.1 -69.7 -12.6 30.3 14.2 83.0 16 51 A S S S+ 0 0 47 1,-0.2 69,-3.0 101,-0.1 2,-0.3 0.435 119.2 47.3-137.2 0.5 29.3 13.5 79.3 17 52 A S - 0 0 25 66,-0.2 -3,-2.4 67,-0.2 2,-0.3 -0.968 46.4-167.1-150.5 157.0 25.8 15.0 78.7 18 53 A I E -BC 13 82A 1 64,-2.0 64,-3.1 -2,-0.3 2,-0.4 -0.986 16.0-143.8-146.7 132.7 23.6 18.1 79.1 19 54 A V E - C 0 81A 7 -7,-2.5 2,-0.4 -2,-0.3 62,-0.2 -0.860 16.7-162.8-101.6 140.9 19.9 18.4 78.6 20 55 A L E + C 0 80A 0 60,-2.5 60,-2.0 -2,-0.4 2,-0.3 -0.931 11.0 175.1-122.1 144.5 18.5 21.6 77.1 21 56 A V E +AC 7 79A 0 -14,-2.3 -14,-2.2 -2,-0.4 2,-0.3 -0.912 3.2 179.1-142.1 162.1 14.9 22.9 77.1 22 57 A W E - 0 0 0 56,-1.4 2,-0.3 -2,-0.3 -17,-0.2 -0.956 34.1 -90.1-158.0 157.5 13.4 26.2 75.9 23 58 A K E -A 4 0A 50 -19,-2.5 -19,-0.6 -2,-0.3 -17,-0.1 -0.581 28.5-152.1 -72.0 138.7 10.0 27.9 75.7 24 59 A A - 0 0 1 -2,-0.3 4,-0.1 -21,-0.1 54,-0.0 -0.863 29.5-110.4-100.7 146.9 7.8 27.4 72.7 25 60 A P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.178 26.4-104.1 -69.5 173.0 5.4 30.4 72.0 26 61 A E S S+ 0 0 82 1,-0.1 2,-0.6 2,-0.0 423,-0.1 0.851 112.4 50.7 -61.0 -41.8 1.6 30.3 72.5 27 62 A D + 0 0 74 1,-0.1 -1,-0.1 422,-0.0 3,-0.1 -0.918 57.1 161.6-108.1 114.7 1.1 30.0 68.7 28 63 A T > + 0 0 7 -2,-0.6 3,-0.5 1,-0.1 -1,-0.1 0.131 33.3 122.6-117.8 16.8 3.1 27.3 67.1 29 64 A R T 3 S+ 0 0 207 1,-0.3 -1,-0.1 3,-0.0 45,-0.0 0.753 84.4 34.3 -54.8 -30.5 1.1 27.0 63.9 30 65 A K T 3 S+ 0 0 157 -3,-0.1 70,-1.9 69,-0.1 2,-0.5 0.645 100.1 89.9 -98.3 -18.5 4.2 27.8 61.7 31 66 A I E < +D 99 0B 17 -3,-0.5 68,-0.2 68,-0.2 3,-0.1 -0.680 39.0 165.1 -87.9 126.0 6.8 26.0 63.8 32 67 A V E - 0 0 86 66,-2.6 2,-0.3 -2,-0.5 67,-0.2 0.518 64.5 -15.9-113.9 -10.8 7.4 22.4 63.0 33 68 A D E -D 98 0B 10 65,-1.2 65,-2.9 43,-0.1 2,-0.4 -0.953 57.2-119.5-175.4 178.5 10.7 21.8 64.8 34 69 A Y E -D 97 0B 2 -2,-0.3 12,-3.0 63,-0.3 2,-0.4 -0.990 16.3-149.0-140.9 140.3 13.7 23.3 66.5 35 70 A Q E -DE 96 45B 28 61,-3.0 61,-3.0 -2,-0.4 2,-0.4 -0.914 11.4-147.6-115.1 144.9 17.4 22.9 65.6 36 71 A I E -DE 95 44B 0 8,-2.7 7,-3.1 -2,-0.4 8,-1.4 -0.906 12.6-168.6-120.0 134.6 20.0 23.0 68.2 37 72 A F E -DE 94 42B 21 57,-2.5 57,-2.3 -2,-0.4 2,-0.5 -0.938 12.6-159.2-126.9 141.6 23.5 24.4 67.6 38 73 A S E > S- E 0 41B 20 3,-3.1 3,-1.5 -2,-0.3 55,-0.2 -0.981 89.5 -12.6-122.3 117.6 26.7 24.3 69.7 39 74 A A T 3 S- 0 0 80 -2,-0.5 -1,-0.2 53,-0.3 3,-0.1 0.927 131.0 -56.3 53.2 46.1 29.2 27.0 68.7 40 75 A G T 3 S+ 0 0 63 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.491 113.2 125.0 66.8 3.7 27.0 27.7 65.6 41 76 A K E < -E 38 0B 141 -3,-1.5 -3,-3.1 1,-0.0 2,-0.3 -0.852 68.5-113.7 -95.1 129.7 27.4 24.0 64.6 42 77 A L E +E 37 0B 84 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.440 32.6 176.6 -65.6 115.4 24.2 22.0 64.0 43 78 A L E - 0 0 55 -7,-3.1 2,-0.3 1,-0.4 -6,-0.2 0.784 55.6 -94.1 -86.2 -34.5 23.8 19.2 66.6 44 79 A G E -E 36 0B 20 -8,-1.4 -8,-2.7 36,-0.0 -1,-0.4 -0.944 45.5 -51.0 155.0-168.8 20.4 18.3 65.2 45 80 A K E > -E 35 0B 68 -2,-0.3 4,-2.3 -10,-0.2 -10,-0.2 -0.781 37.0-128.0-100.3 146.4 16.7 18.7 65.4 46 81 A A H > S+ 0 0 0 -12,-3.0 4,-2.9 -2,-0.3 5,-0.2 0.908 108.8 55.2 -54.9 -50.2 14.5 18.4 68.6 47 82 A S H > S+ 0 0 27 -13,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.956 113.2 41.0 -45.6 -61.0 12.1 15.9 66.8 48 83 A D H > S+ 0 0 92 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.860 113.3 53.5 -56.9 -42.9 15.0 13.5 65.9 49 84 A N H X S+ 0 0 15 -4,-2.3 4,-2.0 1,-0.2 3,-0.5 0.948 108.8 49.1 -63.5 -44.6 16.7 13.9 69.2 50 85 A N H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 7,-0.3 0.846 102.7 61.3 -61.1 -36.6 13.5 13.0 71.1 51 86 A D H < S+ 0 0 77 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.885 113.2 39.9 -52.8 -37.2 13.0 9.8 68.9 52 87 A N H < S+ 0 0 117 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.919 131.7 18.8 -78.2 -45.5 16.4 8.8 70.3 53 88 A F H < S+ 0 0 68 -4,-2.0 -3,-0.2 28,-0.0 -2,-0.2 0.688 100.5 84.1-110.6 -23.9 16.1 9.8 74.0 54 89 A S < - 0 0 7 -4,-2.3 307,-0.1 -5,-0.2 306,-0.1 -0.739 50.4-161.9 -90.9 127.6 12.4 10.3 75.0 55 90 A P S S+ 0 0 27 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.735 95.8 54.7 -73.7 -22.4 10.2 7.4 76.1 56 91 A A S >> S+ 0 0 0 304,-0.6 4,-2.4 337,-0.2 3,-0.6 0.798 90.6 77.7 -70.5 -36.9 7.1 9.5 75.4 57 92 A K H 3> S+ 0 0 11 -7,-0.3 4,-3.3 1,-0.2 5,-0.3 0.840 90.1 48.8 -51.5 -48.4 8.1 10.4 71.8 58 93 A P H 3> S+ 0 0 28 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.874 115.6 47.2 -60.3 -35.6 7.1 7.1 70.0 59 94 A Y H <> S+ 0 0 11 -3,-0.6 4,-1.7 -4,-0.4 -2,-0.2 0.878 112.0 49.6 -67.2 -44.4 3.7 7.2 71.7 60 95 A I H X S+ 0 0 2 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.909 112.5 46.6 -59.9 -47.2 3.3 10.9 70.8 61 96 A D H >< S+ 0 0 26 -4,-3.3 3,-1.3 1,-0.2 4,-0.3 0.962 111.9 52.3 -60.6 -42.2 4.2 10.2 67.1 62 97 A H H >< S+ 0 0 25 -4,-2.1 3,-1.8 1,-0.3 4,-0.4 0.811 94.7 69.8 -64.2 -32.0 1.8 7.2 67.1 63 98 A F H 3< S+ 0 0 17 -4,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.799 102.8 45.4 -52.9 -36.2 -1.1 9.3 68.5 64 99 A Y T X< S+ 0 0 32 -3,-1.3 3,-1.7 -4,-0.7 -1,-0.3 0.471 83.9 100.4 -87.5 -5.7 -1.2 11.2 65.2 65 100 A V T < S+ 0 0 14 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.1 0.834 91.8 32.9 -51.0 -43.9 -1.0 8.0 63.0 66 101 A N T 3 S+ 0 0 140 -4,-0.4 2,-1.3 -3,-0.3 -1,-0.3 0.127 88.0 113.8-100.4 19.8 -4.8 7.8 62.2 67 102 A D X + 0 0 24 -3,-1.7 3,-1.2 2,-0.1 2,-0.2 -0.468 37.2 165.0 -96.1 62.9 -5.3 11.5 62.2 68 103 A K T 3 + 0 0 165 -2,-1.3 3,-0.5 1,-0.2 -2,-0.0 -0.516 66.6 38.6 -69.7 149.3 -6.2 12.1 58.6 69 104 A D T 3 S- 0 0 160 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.1 0.363 113.6-105.8 84.4 -0.0 -7.8 15.5 58.1 70 105 A N < + 0 0 108 -3,-1.2 -1,-0.2 -6,-0.1 -2,-0.1 0.841 66.6 152.3 49.0 44.5 -5.3 17.1 60.7 71 106 A F + 0 0 54 -3,-0.5 2,-0.2 2,-0.1 454,-0.1 0.906 46.3 81.1 -62.9 -42.8 -7.9 17.4 63.5 72 107 A Q S S- 0 0 8 1,-0.1 2,-0.2 -8,-0.1 379,-0.1 -0.448 87.8-109.6 -82.4 135.4 -5.3 17.1 66.3 73 108 A H - 0 0 34 377,-0.2 2,-0.6 -2,-0.2 -1,-0.1 -0.423 34.6-130.2 -53.7 124.6 -3.2 19.9 67.6 74 109 A K - 0 0 113 -2,-0.2 2,-0.1 -4,-0.1 -1,-0.1 -0.741 22.4-147.7 -88.1 115.9 0.4 19.1 66.5 75 110 A I - 0 0 20 -2,-0.6 2,-0.3 -15,-0.1 375,-0.1 -0.470 5.9-140.2 -83.2 154.2 2.7 19.5 69.5 76 111 A V - 0 0 8 373,-0.2 2,-0.3 -2,-0.1 317,-0.2 -0.852 18.6-110.9-113.0 152.3 6.3 20.6 69.2 77 112 A M - 0 0 10 -2,-0.3 -30,-0.1 -45,-0.1 -31,-0.1 -0.644 26.3-178.6 -80.4 142.8 9.4 19.4 71.0 78 113 A Q + 0 0 0 -2,-0.3 -56,-1.4 -32,-0.1 2,-0.3 -0.003 58.7 65.6-133.2 21.5 11.0 21.7 73.5 79 114 A N E -C 21 0A 0 -58,-0.2 2,-0.3 -45,-0.1 -58,-0.2 -0.976 49.6-175.4-147.1 157.7 14.0 19.6 74.7 80 115 A F E -C 20 0A 10 -60,-2.0 -60,-2.5 -2,-0.3 2,-0.5 -0.954 17.4-142.6-157.0 128.7 17.2 18.2 73.2 81 116 A T E -C 19 0A 18 -2,-0.3 2,-0.6 -62,-0.2 -62,-0.2 -0.880 10.9-155.7-103.0 124.1 19.7 15.9 74.9 82 117 A V E +C 18 0A 9 -64,-3.1 -64,-2.0 -2,-0.5 2,-0.2 -0.890 21.5 169.8-100.8 116.2 23.4 16.4 74.2 83 118 A I + 0 0 106 -2,-0.6 -66,-0.2 -66,-0.2 -2,-0.0 -0.626 46.6 56.2-116.5 175.6 25.6 13.3 74.7 84 119 A G S S+ 0 0 71 1,-0.2 -67,-0.2 -2,-0.2 -1,-0.1 0.763 74.7 145.5 75.3 23.8 29.2 12.3 73.9 85 120 A L - 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