==== 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 06-FEB-08 2VNR . COMPND 2 MOLECULE: CPE0329; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR K.J.GREGG,R.FINN,D.W.ABBOTT,A.B.BORASTON . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8516.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 36.6 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 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 . 17 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 3 0 3 1 3 0 1 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 . 2 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 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 0 116 0, 0.0 2,-0.3 0, 0.0 167,-0.2 0.000 360.0 360.0 360.0 -53.1 -7.0 -7.2 -41.6 2 40 A R E -A 167 0A 103 165,-1.8 165,-2.3 167,-0.1 2,-0.3 -0.995 360.0 -98.8-152.1 158.5 -3.4 -6.8 -40.4 3 41 A D E -A 166 0A 75 -2,-0.3 2,-0.5 163,-0.2 163,-0.2 -0.591 32.7-169.5 -81.4 137.7 -1.3 -6.7 -37.2 4 42 A V E -A 165 0A 15 161,-2.6 161,-3.1 -2,-0.3 2,-0.2 -0.980 18.2-134.9-130.0 113.9 -0.3 -3.3 -36.1 5 43 A Y E > -A 164 0A 64 -2,-0.5 3,-1.9 159,-0.3 159,-0.3 -0.507 11.6-135.1 -69.5 136.8 2.3 -3.0 -33.3 6 44 A L G > S+ 0 0 0 157,-1.9 3,-2.1 1,-0.3 -1,-0.1 0.883 107.5 60.6 -59.9 -36.4 1.3 -0.5 -30.6 7 45 A S G 3 S+ 0 0 5 156,-0.6 -1,-0.3 1,-0.3 157,-0.1 0.645 96.2 63.6 -66.1 -13.3 4.9 0.9 -30.7 8 46 A D G < S+ 0 0 88 -3,-1.9 -1,-0.3 2,-0.1 2,-0.3 0.272 100.6 64.8 -90.4 10.3 4.2 1.7 -34.4 9 47 A L S < S- 0 0 27 -3,-2.1 2,-0.5 -5,-0.1 61,-0.0 -0.774 86.8-113.3-121.4 167.1 1.5 4.2 -33.4 10 48 A D - 0 0 131 -2,-0.3 61,-0.4 61,-0.1 2,-0.1 -0.895 29.7-136.4 -99.8 132.6 1.5 7.4 -31.4 11 49 A W - 0 0 57 -2,-0.5 59,-0.2 1,-0.1 3,-0.1 -0.465 13.2-129.6 -79.5 155.1 -0.2 7.4 -28.0 12 50 A L S S- 0 0 85 57,-2.7 2,-0.3 1,-0.3 58,-0.1 0.935 90.1 -24.4 -62.0 -48.1 -2.4 10.3 -26.8 13 51 A N E -F 69 0B 93 56,-0.8 56,-2.5 2,-0.0 -1,-0.3 -0.966 58.0-158.4-157.2 165.2 -0.3 10.3 -23.6 14 52 A A E -F 68 0B 20 -2,-0.3 11,-0.4 54,-0.2 54,-0.2 -0.839 11.7-171.0-156.3 102.4 1.8 7.9 -21.7 15 53 A T - 0 0 72 52,-2.5 2,-0.3 -2,-0.3 46,-0.1 -0.630 6.0-176.8 -93.2 164.4 2.5 8.4 -18.1 16 54 A H - 0 0 32 -2,-0.2 46,-0.2 50,-0.2 47,-0.1 -0.962 35.5-115.6-155.0 166.6 5.0 6.4 -16.0 17 55 A G + 0 0 16 44,-2.6 45,-0.1 -2,-0.3 136,-0.1 0.245 63.9 133.1 -93.0 11.6 6.3 6.2 -12.4 18 56 A D - 0 0 31 43,-0.2 -2,-0.1 2,-0.1 5,-0.0 -0.307 61.3-131.0 -67.2 148.1 9.9 7.3 -13.0 19 57 A D S S+ 0 0 131 1,-0.1 2,-1.0 2,-0.1 -1,-0.1 0.813 100.0 70.0 -60.2 -33.0 11.6 9.9 -10.7 20 58 A T S > S- 0 0 62 1,-0.2 3,-1.6 2,-0.0 -2,-0.1 -0.779 70.3-170.6 -92.2 99.0 12.7 11.8 -13.9 21 59 A K T 3 S+ 0 0 180 -2,-1.0 -1,-0.2 1,-0.3 -5,-0.1 0.628 79.4 61.9 -73.1 -15.9 9.4 13.1 -15.1 22 60 A S T 3 S+ 0 0 107 2,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.513 82.5 99.7 -84.9 -11.6 10.8 14.4 -18.4 23 61 A K < - 0 0 50 -3,-1.6 2,-0.3 -5,-0.0 -7,-0.1 -0.327 67.8-141.5 -63.1 158.9 11.8 10.8 -19.4 24 62 A I - 0 0 103 7,-0.2 -9,-0.1 -9,-0.1 11,-0.1 -0.953 19.8 -92.0-129.6 150.8 9.3 9.1 -21.8 25 63 A V - 0 0 3 -11,-0.4 2,-0.3 -2,-0.3 35,-0.2 -0.313 53.5-122.9 -51.6 143.7 7.8 5.7 -22.3 26 64 A Q E -B 59 0A 27 33,-2.7 33,-2.4 3,-0.2 2,-0.6 -0.748 8.5-139.8-104.9 142.1 10.0 3.8 -24.8 27 65 A K E S-B 58 0A 72 -2,-0.3 31,-0.2 31,-0.2 29,-0.0 -0.880 87.3 -11.5 -99.3 118.7 9.1 2.3 -28.1 28 66 A N S S+ 0 0 37 29,-3.2 14,-0.4 -2,-0.6 -1,-0.2 0.619 123.3 77.5 70.2 20.0 10.9 -1.1 -28.7 29 67 A H S S- 0 0 53 28,-0.2 30,-0.3 12,-0.2 -3,-0.2 -0.987 88.5 -98.6-148.2 151.0 13.2 -0.7 -25.7 30 68 A P > - 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.3 -0.313 46.9-105.3 -65.8 160.3 12.8 -1.1 -22.0 31 69 A F H > S+ 0 0 0 29,-0.4 4,-2.8 127,-0.2 5,-0.2 0.922 109.4 38.6 -58.2 -57.7 12.3 2.2 -20.2 32 70 A T H > S+ 0 0 38 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.968 120.8 42.5 -69.7 -50.3 15.6 2.9 -18.5 33 71 A P H 4>S+ 0 0 9 0, 0.0 5,-2.7 0, 0.0 3,-0.4 0.915 114.9 54.1 -54.9 -42.2 18.0 1.7 -21.2 34 72 A G H ><5S+ 0 0 7 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.934 108.5 46.7 -58.2 -50.8 15.7 3.4 -23.9 35 73 A N H 3<5S+ 0 0 35 -4,-2.8 -1,-0.3 1,-0.3 -3,-0.1 0.716 108.9 57.0 -66.0 -21.2 15.9 6.8 -22.1 36 74 A N T 3<5S- 0 0 87 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.195 118.2-113.5 -93.1 12.6 19.7 6.3 -21.9 37 75 A N T < 5 + 0 0 155 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.749 64.8 151.3 62.4 29.2 19.9 5.9 -25.6 38 76 A Q < - 0 0 88 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.572 51.6-135.5 -88.7 153.9 21.0 2.3 -25.4 39 77 A S + 0 0 106 -2,-0.2 -1,-0.1 -10,-0.0 -5,-0.1 0.549 56.1 141.4 -84.1 -6.6 20.1 -0.3 -28.2 40 78 A T - 0 0 51 -7,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.019 45.9-138.0 -39.3 124.7 19.1 -2.8 -25.5 41 79 A K - 0 0 84 -12,-0.2 -12,-0.2 1,-0.1 2,-0.1 -0.482 26.6 -93.0 -84.5 157.9 16.0 -4.8 -26.8 42 80 A I E -K 54 0C 0 12,-0.6 12,-2.8 -14,-0.4 2,-0.3 -0.482 53.9-179.9 -62.7 138.4 13.0 -5.7 -24.6 43 81 A S E -K 53 0C 16 10,-0.2 45,-2.0 -2,-0.1 2,-0.3 -0.997 12.5-179.1-149.8 146.5 13.5 -9.2 -23.1 44 82 A L E -K 52 0C 1 8,-2.1 8,-2.7 -2,-0.3 2,-0.6 -0.967 34.0-110.5-138.4 156.2 11.7 -11.5 -20.8 45 83 A K E -K 51 0C 58 -2,-0.3 84,-3.2 82,-0.3 6,-0.2 -0.800 43.3-146.2 -85.4 122.0 12.0 -14.9 -19.2 46 84 A M > - 0 0 21 4,-3.4 3,-2.3 -2,-0.6 84,-0.1 -0.390 26.4 -98.9 -86.0 169.3 9.5 -17.2 -20.9 47 85 A E T 3 S+ 0 0 151 1,-0.3 -1,-0.1 82,-0.3 -2,-0.0 0.844 123.6 58.3 -54.9 -34.4 7.4 -20.1 -19.4 48 86 A D T 3 S- 0 0 126 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.435 120.0-110.5 -82.1 4.6 9.9 -22.5 -20.9 49 87 A G S < S+ 0 0 51 -3,-2.3 2,-0.1 1,-0.3 -2,-0.1 0.305 79.4 122.4 91.4 -9.3 12.7 -20.8 -18.9 50 88 A S - 0 0 51 -5,-0.1 -4,-3.4 1,-0.0 2,-0.6 -0.457 63.9-120.9 -78.4 157.6 14.4 -19.3 -22.0 51 89 A I E -K 45 0C 98 -6,-0.2 2,-0.5 -2,-0.1 -6,-0.2 -0.897 28.1-162.0 -97.7 125.2 15.1 -15.5 -22.4 52 90 A S E -K 44 0C 39 -8,-2.7 -8,-2.1 -2,-0.6 2,-0.4 -0.910 6.9-150.6-106.6 136.9 13.4 -14.1 -25.4 53 91 A E E -K 43 0C 135 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.828 17.2-145.9 -97.5 143.7 14.4 -10.8 -27.0 54 92 A F E -K 42 0C 24 -12,-2.8 -12,-0.6 -2,-0.4 3,-0.1 -0.884 15.2-151.5-116.3 145.0 11.6 -8.9 -28.8 55 93 A E S S+ 0 0 135 -2,-0.4 2,-0.3 -14,-0.1 -1,-0.1 0.842 83.9 26.0 -78.4 -36.0 11.8 -6.7 -31.9 56 94 A K S S+ 0 0 66 -15,-0.0 106,-2.9 -14,-0.0 2,-0.3 -0.899 74.5 96.9-128.9 155.0 8.8 -4.5 -30.9 57 95 A G E - C 0 161A 0 -2,-0.3 -29,-3.2 104,-0.3 2,-0.4 -0.955 58.0 -81.3 160.0-169.2 7.0 -3.5 -27.7 58 96 A L E -BC 27 160A 0 102,-1.8 102,-2.6 -2,-0.3 2,-0.5 -0.983 28.0-158.7-126.1 141.7 6.6 -0.7 -25.1 59 97 A G E +BC 26 159A 0 -33,-2.4 -33,-2.7 -2,-0.4 2,-0.2 -0.970 24.1 151.5-123.5 127.1 8.7 -0.1 -22.0 60 98 A T E - C 0 158A 0 98,-3.2 98,-0.9 -2,-0.5 2,-0.5 -0.769 44.1-113.1-136.7 178.6 7.5 1.9 -19.0 61 99 A I E - C 0 157A 4 -2,-0.2 -44,-2.6 96,-0.2 -43,-0.2 -0.992 43.3-112.7-115.5 126.1 8.0 2.3 -15.3 62 100 A A + 0 0 0 94,-1.8 86,-0.2 -2,-0.5 2,-0.2 -0.230 46.7 168.1 -56.0 150.1 4.9 1.2 -13.3 63 101 A G B -g 148 0B 7 84,-2.2 86,-3.0 3,-0.1 3,-0.5 -0.428 52.5 -54.3-141.4-145.8 3.1 4.0 -11.5 64 102 A S S S- 0 0 121 1,-0.9 84,-0.1 84,-0.2 2,-0.1 -0.132 134.6 -30.9-121.4 43.6 -0.0 4.9 -9.6 65 103 A P S S- 0 0 38 0, 0.0 -1,-0.9 0, 0.0 2,-0.5 0.603 76.4-145.8 -93.7 168.5 -0.9 3.8 -12.3 66 104 A S E - H 0 147B 0 81,-2.8 81,-2.0 -3,-0.5 2,-0.4 -0.820 28.6-164.6 -73.7 131.6 1.3 4.3 -15.3 67 105 A T E - H 0 146B 21 -2,-0.5 -52,-2.5 79,-0.2 2,-0.5 -0.979 19.0-170.6-133.8 120.8 -1.2 4.7 -18.2 68 106 A I E -FH 14 145B 0 77,-2.2 77,-2.6 -2,-0.4 2,-0.4 -0.960 20.1-163.3-110.8 122.2 -0.5 4.5 -21.9 69 107 A T E -FH 13 144B 9 -56,-2.5 -57,-2.7 -2,-0.5 -56,-0.8 -0.905 9.6-171.6-120.1 131.2 -3.5 5.6 -23.9 70 108 A Y E - H 0 143B 2 73,-2.7 73,-2.1 -2,-0.4 2,-0.9 -0.955 23.9-134.5-120.1 140.8 -4.4 5.1 -27.6 71 109 A D E + H 0 142B 34 -61,-0.4 101,-0.5 -2,-0.4 71,-0.2 -0.840 31.8 165.9 -86.3 104.5 -7.1 6.5 -29.8 72 110 A I > + 0 0 4 69,-1.6 3,-1.5 -2,-0.9 5,-0.4 0.193 22.4 141.8-103.1 12.8 -8.4 3.4 -31.6 73 111 A S T 3 S+ 0 0 35 68,-1.0 99,-0.3 1,-0.2 68,-0.2 -0.331 77.4 0.9 -56.9 129.9 -11.6 5.1 -32.9 74 112 A G T 3 S+ 0 0 78 66,-0.3 96,-0.3 1,-0.1 -1,-0.2 0.299 101.9 106.6 78.2 -8.4 -12.5 4.0 -36.4 75 113 A A S < S- 0 0 0 -3,-1.5 94,-2.5 65,-0.2 93,-0.6 0.525 79.6-132.0 -82.5 -11.1 -9.4 1.6 -36.7 76 114 A G - 0 0 29 -4,-0.4 92,-1.2 92,-0.2 2,-0.4 0.905 32.4-175.5 59.0 46.3 -11.6 -1.6 -36.3 77 115 A V E +D 167 0A 9 -5,-0.4 63,-0.3 90,-0.2 90,-0.2 -0.613 16.5 166.4 -72.5 124.9 -9.4 -3.2 -33.7 78 116 A T E + 0 0 54 88,-2.3 58,-2.3 -2,-0.4 2,-0.3 0.613 60.9 31.1-111.1 -21.7 -10.7 -6.7 -32.9 79 117 A K E -DE 166 135A 57 87,-1.2 87,-1.8 56,-0.3 2,-0.4 -0.988 52.2-162.4-142.0 147.6 -7.7 -8.1 -30.9 80 118 A F E -DE 165 134A 0 54,-2.1 54,-3.1 -2,-0.3 2,-0.4 -0.999 17.2-178.8-124.9 132.9 -4.9 -7.1 -28.6 81 119 A F E +DE 164 133A 32 83,-2.9 83,-2.5 -2,-0.4 2,-0.3 -0.994 13.4 139.3-131.9 137.9 -1.9 -9.3 -28.0 82 120 A S E - E 0 132A 0 50,-2.1 50,-3.1 -2,-0.4 2,-0.3 -0.973 43.7-124.4-161.6 156.2 1.1 -8.9 -25.8 83 121 A Y E -DE 161 131A 52 78,-2.6 78,-1.7 -2,-0.3 2,-0.4 -0.828 32.5-155.5 -92.3 147.8 3.6 -10.6 -23.4 84 122 A L E +DE 160 130A 2 46,-1.3 46,-2.9 -2,-0.3 2,-0.3 -0.987 32.9 110.1-122.3 141.2 3.7 -8.8 -20.0 85 123 A G E -D 159 0A 1 74,-1.3 74,-2.5 -2,-0.4 2,-0.5 -0.977 67.4 -72.1 178.9 177.0 6.6 -8.9 -17.6 86 124 A I E -D 158 0A 0 38,-0.4 -41,-0.3 41,-0.3 72,-0.2 -0.852 59.3-111.0 -85.9 124.9 9.5 -7.1 -15.9 87 125 A D > - 0 0 0 70,-3.1 3,-2.2 -2,-0.5 -43,-0.2 -0.234 19.5-122.3 -57.0 143.6 12.2 -6.5 -18.4 88 126 A R T 3 S+ 0 0 32 -45,-2.0 -1,-0.1 1,-0.3 -44,-0.1 0.736 107.7 71.6 -59.7 -23.8 15.4 -8.5 -17.8 89 127 A S T 3 S+ 0 0 51 -46,-0.2 -1,-0.3 68,-0.1 -2,-0.1 0.657 73.8 105.7 -66.9 -16.4 17.4 -5.2 -17.6 90 128 A A S < S- 0 0 6 -3,-2.2 66,-0.0 67,-0.2 -4,-0.0 -0.342 74.8-129.4 -59.1 148.8 15.7 -4.4 -14.2 91 129 A N - 0 0 104 1,-0.0 2,-2.4 3,-0.0 3,-0.2 -0.889 12.7-156.9-104.4 104.5 18.1 -4.9 -11.3 92 130 A P + 0 0 57 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.387 26.0 164.8 -81.4 69.7 16.3 -7.1 -8.8 93 131 A I - 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