==== 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 05-FEB-08 2VNO . COMPND 2 MOLECULE: CPE0329; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR K.J.GREGG,R.FINN,D.W.ABBOTT,A.B.BORASTON . 344 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 36.0 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 2 0.6 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 . 30 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 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 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 6 1 6 1 6 0 2 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 . 4 0 0 0 4 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 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 39 A S 0 0 119 0, 0.0 2,-0.3 0, 0.0 167,-0.2 0.000 360.0 360.0 360.0 168.5 18.3 14.5 33.8 2 40 A R E -A 167 0A 89 165,-2.0 165,-2.6 167,-0.1 2,-0.4 -0.969 360.0-117.7-142.3 161.7 20.0 15.3 30.6 3 41 A D E -A 166 0A 83 -2,-0.3 2,-0.4 163,-0.2 163,-0.2 -0.859 26.8-175.7-101.6 135.3 19.0 15.8 27.0 4 42 A V E -A 165 0A 4 161,-2.7 161,-3.2 -2,-0.4 2,-0.2 -0.996 25.0-125.9-130.3 124.3 20.4 13.5 24.3 5 43 A Y E > -A 164 0A 57 -2,-0.4 3,-2.3 159,-0.3 159,-0.3 -0.511 16.3-131.9 -64.1 139.4 19.7 13.9 20.6 6 44 A L G > S+ 0 0 0 157,-2.1 3,-2.1 1,-0.3 -1,-0.1 0.871 108.9 61.9 -57.1 -36.7 18.3 10.7 18.9 7 45 A S G 3 S+ 0 0 7 156,-0.6 -1,-0.3 1,-0.3 157,-0.1 0.610 96.0 59.8 -69.1 -10.8 20.9 11.3 16.2 8 46 A D G < S+ 0 0 45 -3,-2.3 2,-0.3 2,-0.1 -1,-0.3 0.175 101.7 67.7 -98.1 13.8 23.7 10.9 18.8 9 47 A L S < S- 0 0 27 -3,-2.1 2,-0.4 -5,-0.1 -5,-0.0 -0.884 85.0-117.3-122.8 157.0 22.4 7.4 19.6 10 48 A D - 0 0 123 -2,-0.3 61,-0.3 61,-0.1 2,-0.2 -0.805 27.8-136.1 -91.0 138.7 22.5 4.2 17.5 11 49 A W - 0 0 67 -2,-0.4 59,-0.2 59,-0.1 3,-0.1 -0.495 12.6-130.4 -85.2 158.8 19.2 2.6 16.6 12 50 A L S S- 0 0 96 57,-2.8 2,-0.3 1,-0.4 58,-0.2 0.864 90.8 -16.6 -69.1 -42.5 18.4 -1.1 16.8 13 51 A N E -F 69 0B 105 56,-1.1 56,-2.5 2,-0.0 -1,-0.4 -0.976 57.9-164.0-159.1 158.1 17.0 -0.8 13.2 14 52 A A E -F 68 0B 24 -2,-0.3 11,-0.4 54,-0.2 2,-0.3 -0.861 12.4-179.1-151.5 108.5 15.9 1.9 10.8 15 53 A T - 0 0 73 52,-2.5 2,-0.3 -2,-0.3 46,-0.2 -0.717 3.1-173.5-106.7 161.7 13.9 1.2 7.7 16 54 A H - 0 0 16 -2,-0.3 46,-0.2 2,-0.2 48,-0.1 -0.897 33.0-116.9-144.2 172.4 12.6 3.5 5.0 17 55 A G + 0 0 12 44,-1.6 136,-0.1 -2,-0.3 45,-0.1 0.346 69.1 119.1 -96.4 5.6 10.4 3.6 1.9 18 56 A D - 0 0 25 43,-0.2 -2,-0.2 2,-0.1 43,-0.1 -0.427 66.4-131.8 -71.7 148.5 13.0 4.6 -0.7 19 57 A D S S+ 0 0 138 -2,-0.1 2,-0.9 1,-0.1 -1,-0.1 0.771 92.5 76.9 -72.5 -27.3 13.3 1.9 -3.5 20 58 A T > - 0 0 64 1,-0.2 3,-1.2 2,-0.1 -2,-0.1 -0.747 62.7-172.2 -87.8 102.6 17.2 2.0 -3.2 21 59 A K T 3 S+ 0 0 132 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.683 78.9 70.9 -74.7 -14.1 17.9 -0.0 -0.0 22 60 A S T 3 S+ 0 0 101 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.723 82.9 87.7 -70.1 -23.2 21.6 0.9 -0.1 23 61 A K S < S- 0 0 55 -3,-1.2 2,-0.3 -5,-0.0 -7,-0.1 -0.529 73.4-152.4 -67.9 153.1 20.4 4.4 0.9 24 62 A I - 0 0 73 7,-0.2 -9,-0.1 -2,-0.2 -2,-0.1 -0.911 23.6 -87.1-132.2 154.6 20.1 4.7 4.7 25 63 A V - 0 0 6 -11,-0.4 2,-0.4 -2,-0.3 35,-0.2 -0.294 55.9-123.8 -55.2 138.1 18.2 6.7 7.3 26 64 A Q E -B 59 0A 18 33,-2.8 33,-2.4 3,-0.2 2,-0.6 -0.755 12.6-147.6-102.8 141.8 20.1 9.9 7.9 27 65 A K E S-B 58 0A 67 -2,-0.4 31,-0.2 31,-0.2 29,-0.0 -0.891 87.7 -9.5 -98.3 123.6 21.5 11.5 11.0 28 66 A N S S+ 0 0 37 29,-3.9 14,-0.3 -2,-0.6 -1,-0.2 0.656 122.8 76.9 65.9 20.2 21.4 15.3 10.9 29 67 A H S S- 0 0 20 28,-0.3 -3,-0.2 12,-0.2 30,-0.2 -0.986 87.1-101.2-146.1 157.4 20.4 15.5 7.2 30 68 A P > - 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.3 -0.430 47.0-105.5 -70.0 166.0 17.2 15.0 5.2 31 69 A F H > S+ 0 0 0 29,-0.4 4,-2.4 2,-0.2 5,-0.2 0.927 109.3 38.9 -65.8 -55.9 17.1 11.6 3.5 32 70 A T H > S+ 0 0 42 1,-0.2 4,-1.1 28,-0.2 -1,-0.2 0.973 121.6 39.5 -65.1 -55.6 17.8 12.4 -0.2 33 71 A P H 4>S+ 0 0 10 0, 0.0 5,-2.5 0, 0.0 -1,-0.2 0.878 115.7 54.3 -60.9 -35.4 20.4 15.1 0.1 34 72 A G H ><5S+ 0 0 1 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.920 105.7 50.3 -63.5 -41.4 22.1 13.3 3.0 35 73 A N H 3<5S+ 0 0 31 -4,-2.4 -1,-0.2 1,-0.3 -3,-0.1 0.709 108.3 55.9 -71.2 -18.3 22.5 10.1 1.1 36 74 A N T 3<5S- 0 0 71 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.343 116.5-119.2 -89.1 5.5 24.0 12.3 -1.6 37 75 A N T < 5 + 0 0 20 -3,-2.2 141,-0.3 1,-0.2 2,-0.2 0.793 61.3 152.7 61.6 31.3 26.6 13.6 1.0 38 76 A Q < - 0 0 79 -5,-2.5 -1,-0.2 -6,-0.1 139,-0.1 -0.567 53.8-128.0 -87.9 160.4 25.4 17.1 0.7 39 77 A S + 0 0 60 -2,-0.2 -1,-0.1 -10,-0.1 -5,-0.1 0.532 59.5 138.0 -86.4 -2.9 25.6 19.7 3.5 40 78 A T - 0 0 55 -7,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.127 47.8-136.8 -50.2 124.9 21.9 20.6 3.3 41 79 A K - 0 0 42 -12,-0.1 -12,-0.2 1,-0.1 14,-0.1 -0.573 26.1 -94.6 -78.1 153.3 20.5 20.9 6.8 42 80 A I E -K 54 0C 0 12,-0.6 12,-2.5 -14,-0.3 2,-0.3 -0.420 53.5-179.9 -54.0 135.4 17.1 19.6 7.9 43 81 A S E -K 53 0C 13 10,-0.2 45,-1.9 -2,-0.1 2,-0.3 -0.999 10.1-175.7-147.0 150.3 14.6 22.4 7.5 44 82 A L E -K 52 0C 2 8,-2.4 8,-2.6 -2,-0.3 2,-0.5 -0.979 33.5-108.9-142.9 151.1 10.9 22.7 8.1 45 83 A K E -K 51 0C 39 41,-0.4 84,-2.9 -2,-0.3 6,-0.2 -0.717 45.3-146.1 -74.1 122.1 8.0 25.1 7.7 46 84 A M > - 0 0 11 4,-3.2 3,-1.0 -2,-0.5 -1,-0.1 -0.038 30.9 -84.2 -83.3-169.2 7.1 26.2 11.2 47 85 A E T 3 S+ 0 0 102 1,-0.3 -1,-0.1 81,-0.2 -2,-0.0 0.808 129.6 46.3 -69.8 -31.6 3.7 27.1 12.7 48 86 A D T 3 S- 0 0 133 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.421 121.3-103.9 -88.8 -4.0 3.9 30.7 11.5 49 87 A G S < S+ 0 0 35 -3,-1.0 -2,-0.1 1,-0.3 -1,-0.0 0.117 79.0 128.8 104.5 -18.3 5.0 29.7 8.0 50 88 A S - 0 0 55 -5,-0.1 -4,-3.2 1,-0.1 2,-0.5 -0.283 60.4-116.5 -73.0 157.8 8.7 30.6 8.3 51 89 A I E -K 45 0C 112 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.866 29.9-169.7 -96.9 125.1 11.4 28.1 7.4 52 90 A S E -K 44 0C 42 -8,-2.6 -8,-2.4 -2,-0.5 2,-0.3 -0.925 10.6-146.6-111.9 141.3 13.7 27.0 10.2 53 91 A E E -K 43 0C 131 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.757 13.3-155.4 -99.8 150.2 16.9 25.0 9.8 54 92 A F E -K 42 0C 20 -12,-2.5 -12,-0.6 -2,-0.3 3,-0.0 -0.981 17.1-154.3-128.3 139.2 18.0 22.4 12.4 55 93 A E S S+ 0 0 98 -2,-0.4 2,-0.3 -14,-0.1 -1,-0.1 0.890 82.6 41.1 -74.5 -37.5 21.5 21.1 13.2 56 94 A K S S+ 0 0 17 -15,-0.1 106,-2.9 -14,-0.0 2,-0.3 -0.846 74.3 84.9-117.7 146.4 20.2 17.8 14.7 57 95 A G E - C 0 161A 0 -2,-0.3 -29,-3.9 104,-0.2 2,-0.4 -0.942 61.8 -77.6 161.8-169.7 17.6 15.3 13.7 58 96 A L E -BC 27 160A 0 102,-1.8 102,-2.6 -2,-0.3 2,-0.5 -0.958 27.4-156.8-121.2 144.2 16.7 12.3 11.6 59 97 A G E +BC 26 159A 0 -33,-2.4 -33,-2.8 -2,-0.4 100,-0.2 -0.973 25.0 153.1-123.1 124.6 15.8 12.1 7.9 60 98 A T - 0 0 0 98,-3.0 -29,-0.4 -2,-0.5 2,-0.4 -0.669 42.5-117.1-129.3-177.8 13.7 9.2 6.5 61 99 A I - 0 0 4 -2,-0.2 -44,-1.6 96,-0.2 96,-0.2 -0.999 41.2-115.0-122.4 129.4 11.4 8.3 3.6 62 100 A A + 0 0 0 94,-2.0 86,-0.2 -2,-0.4 2,-0.2 -0.268 45.7 166.1 -58.6 151.8 7.9 7.3 4.8 63 101 A G B -g 148 0B 5 84,-2.1 86,-3.1 3,-0.2 87,-0.5 -0.466 55.4 -50.5-144.0-140.8 7.0 3.6 4.1 64 102 A S S S- 0 0 113 1,-0.8 84,-0.1 84,-0.2 2,-0.1 -0.198 133.0 -35.3-123.4 47.9 4.4 1.0 5.1 65 103 A P S S- 0 0 41 0, 0.0 -1,-0.8 0, 0.0 2,-0.5 0.688 77.7-148.8 -85.5 166.2 5.5 2.1 7.7 66 104 A S E - H 0 147B 1 81,-2.5 81,-2.2 -3,-0.4 2,-0.4 -0.858 28.6-160.2 -83.9 131.7 9.1 3.0 7.8 67 105 A T E - H 0 146B 27 -2,-0.5 -52,-2.5 79,-0.2 2,-0.5 -0.955 23.3-167.6-127.6 129.5 10.3 2.4 11.4 68 106 A I E -FH 14 145B 0 77,-2.2 77,-1.9 -2,-0.4 2,-0.4 -0.969 20.5-164.3-116.2 116.3 13.2 3.6 13.5 69 107 A T E -FH 13 144B 14 -56,-2.5 -57,-2.8 -2,-0.5 -56,-1.1 -0.848 8.2-170.5-112.5 129.8 13.5 1.7 16.7 70 108 A Y E - H 0 143B 4 73,-3.0 73,-2.3 -2,-0.4 2,-0.8 -0.957 21.7-135.9-115.2 140.0 15.6 2.6 19.8 71 109 A D E + H 0 142B 71 -2,-0.4 71,-0.2 -61,-0.3 -61,-0.1 -0.838 31.0 166.5 -90.3 108.9 16.3 0.4 22.8 72 110 A I > + 0 0 3 69,-1.9 3,-1.9 -2,-0.8 5,-0.4 0.137 21.2 143.8-108.1 14.9 15.7 2.7 25.8 73 111 A S T 3 S+ 0 0 55 68,-1.0 68,-0.2 1,-0.3 67,-0.1 -0.337 76.6 2.9 -62.3 133.3 15.7 -0.0 28.4 74 112 A G T 3 S+ 0 0 74 66,-0.3 96,-0.4 1,-0.1 -1,-0.3 0.326 101.7 109.2 78.1 -12.2 17.3 1.1 31.7 75 113 A A S < S- 0 0 0 -3,-1.9 94,-2.9 65,-0.3 93,-0.2 0.608 77.9-132.5 -75.1 -12.7 17.9 4.7 30.3 76 114 A G - 0 0 32 -4,-0.4 92,-2.0 92,-0.2 2,-0.3 0.854 32.3-174.0 62.5 39.3 15.3 6.4 32.4 77 115 A V E +D 167 0A 11 -5,-0.4 90,-0.3 90,-0.3 63,-0.3 -0.472 16.0 166.7 -68.4 124.8 13.8 8.3 29.5 78 116 A T E + 0 0 49 88,-2.6 58,-1.6 -2,-0.3 2,-0.3 0.573 59.8 27.5-109.8 -20.2 11.1 10.7 30.8 79 117 A K E -DE 166 135A 52 87,-1.6 87,-2.6 56,-0.3 2,-0.4 -1.000 51.8-163.2-147.6 146.5 10.5 12.9 27.7 80 118 A F E -DE 165 134A 0 54,-2.3 54,-2.9 -2,-0.3 2,-0.4 -0.988 15.5-178.9-124.6 131.5 10.6 12.9 23.9 81 119 A F E +DE 164 133A 26 83,-2.4 83,-2.7 -2,-0.4 2,-0.3 -0.999 14.0 140.4-127.5 141.1 10.7 16.1 21.8 82 120 A S E - E 0 132A 0 50,-2.3 50,-3.3 -2,-0.4 2,-0.4 -0.921 42.8-125.6-164.1 151.7 10.7 16.5 18.1 83 121 A Y E -DE 161 131A 46 78,-2.7 78,-2.0 -2,-0.3 2,-0.4 -0.811 31.5-154.4 -85.9 146.2 9.3 18.6 15.3 84 122 A L E +DE 160 130A 2 46,-2.1 46,-2.4 -2,-0.4 2,-0.3 -0.972 33.9 104.1-123.6 136.7 7.6 16.5 12.6 85 123 A G E -D 159 0A 4 74,-1.4 74,-2.6 -2,-0.4 2,-0.5 -0.969 68.1 -67.4 179.5-175.4 7.2 17.5 9.0 86 124 A I E -D 158 0A 4 38,-0.4 -41,-0.4 41,-0.3 72,-0.2 -0.827 58.3-111.6 -96.6 124.9 8.2 17.1 5.4 87 125 A D > - 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