==== 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 04-FEB-08 2VNG . 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) . 15997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 63.1 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 . 126 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 . 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 . 25 7.3 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 0 6 2 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 0 117 0, 0.0 2,-0.3 0, 0.0 167,-0.2 0.000 360.0 360.0 360.0 163.3 18.2 14.4 33.9 2 40 A R E -A 167 0A 80 165,-2.1 165,-2.7 167,-0.1 2,-0.4 -0.954 360.0-116.7-142.2 161.5 19.9 15.4 30.7 3 41 A D E -A 166 0A 87 -2,-0.3 2,-0.4 163,-0.2 163,-0.2 -0.840 26.9-176.4-101.1 137.9 18.9 15.8 27.0 4 42 A V E -A 165 0A 4 161,-2.7 161,-3.0 -2,-0.4 2,-0.2 -0.997 25.6-123.7-134.6 122.8 20.4 13.6 24.3 5 43 A Y E > -A 164 0A 59 -2,-0.4 3,-2.1 159,-0.3 159,-0.3 -0.440 16.0-133.1 -58.4 135.2 19.7 13.9 20.6 6 44 A L G > S+ 0 0 0 157,-2.0 3,-2.0 1,-0.3 -1,-0.1 0.893 108.3 61.4 -56.1 -36.5 18.3 10.8 19.0 7 45 A S G 3 S+ 0 0 6 156,-0.5 -1,-0.3 1,-0.3 157,-0.1 0.600 96.5 60.4 -68.8 -10.3 20.9 11.3 16.2 8 46 A D G < S+ 0 0 49 -3,-2.1 2,-0.3 2,-0.1 -1,-0.3 0.258 101.6 68.1 -98.1 9.8 23.7 10.9 18.9 9 47 A L S < S- 0 0 28 -3,-2.0 2,-0.4 -4,-0.2 61,-0.0 -0.849 85.6-117.9-121.3 160.4 22.4 7.4 19.6 10 48 A D - 0 0 126 -2,-0.3 61,-0.3 61,-0.1 2,-0.1 -0.826 27.8-137.4 -95.3 135.0 22.5 4.2 17.5 11 49 A W - 0 0 69 -2,-0.4 59,-0.2 59,-0.1 3,-0.1 -0.476 12.2-130.0 -82.0 162.9 19.1 2.7 16.6 12 50 A L S S- 0 0 100 57,-2.8 2,-0.3 1,-0.3 58,-0.2 0.844 90.1 -12.6 -75.6 -39.3 18.4 -1.0 16.7 13 51 A N E -F 69 0B 106 56,-1.1 56,-2.6 2,-0.0 -1,-0.3 -0.972 58.3-164.4-158.2 154.5 17.0 -0.8 13.2 14 52 A A E -F 68 0B 24 -2,-0.3 2,-0.4 54,-0.2 11,-0.3 -0.856 11.5-178.8-148.1 109.2 15.9 1.9 10.7 15 53 A T - 0 0 72 52,-2.2 2,-0.2 -2,-0.3 48,-0.1 -0.878 3.8-172.5-115.3 144.9 13.8 1.2 7.7 16 54 A H - 0 0 15 -2,-0.4 46,-0.2 50,-0.2 48,-0.1 -0.756 32.7-120.4-131.9 165.0 12.7 3.6 5.0 17 55 A G + 0 0 13 44,-1.8 2,-0.2 -2,-0.2 136,-0.1 0.306 69.8 119.9 -93.3 12.1 10.4 3.7 2.0 18 56 A D - 0 0 27 43,-0.2 -2,-0.2 1,-0.1 43,-0.1 -0.539 66.1-131.9 -74.9 146.0 13.0 4.6 -0.6 19 57 A D S S+ 0 0 143 -2,-0.2 2,-1.0 1,-0.1 -1,-0.1 0.806 92.8 74.8 -64.0 -32.9 13.5 2.0 -3.5 20 58 A T > - 0 0 64 1,-0.2 3,-1.3 2,-0.1 -2,-0.1 -0.727 64.1-170.8 -89.3 102.1 17.3 2.0 -3.1 21 59 A K T 3 S+ 0 0 130 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.670 80.0 71.6 -69.9 -14.2 18.0 -0.0 0.1 22 60 A S T 3 S+ 0 0 100 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.742 82.5 86.8 -71.5 -20.8 21.6 0.9 0.0 23 61 A K S < S- 0 0 56 -3,-1.3 2,-0.3 -5,-0.0 -7,-0.1 -0.498 73.0-154.2 -70.0 153.8 20.4 4.4 1.0 24 62 A I - 0 0 73 7,-0.2 -9,-0.1 -2,-0.1 -2,-0.1 -0.935 23.3 -87.2-133.3 152.9 20.1 4.8 4.8 25 63 A V - 0 0 6 -11,-0.3 2,-0.4 -2,-0.3 35,-0.2 -0.269 55.5-123.4 -56.1 140.4 18.2 6.8 7.3 26 64 A Q E -B 59 0A 17 33,-2.8 33,-2.5 3,-0.2 2,-0.6 -0.774 12.3-146.6-102.9 143.7 20.1 10.0 8.0 27 65 A K E S-B 58 0A 64 -2,-0.4 31,-0.2 31,-0.2 29,-0.0 -0.912 88.0 -11.8 -99.2 123.2 21.5 11.6 11.1 28 66 A N S S+ 0 0 41 29,-3.5 14,-0.3 -2,-0.6 -1,-0.2 0.610 122.0 76.9 63.7 24.1 21.3 15.4 10.9 29 67 A H S S- 0 0 20 28,-0.2 -3,-0.2 12,-0.2 30,-0.2 -0.967 87.9 -99.5-146.8 155.7 20.5 15.6 7.2 30 68 A P > - 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.3 -0.428 46.2-106.2 -67.7 163.5 17.3 15.1 5.2 31 69 A F H > S+ 0 0 0 29,-0.3 4,-2.3 127,-0.2 5,-0.2 0.923 109.2 40.0 -64.6 -55.8 17.2 11.7 3.6 32 70 A T H > S+ 0 0 41 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.960 121.6 38.4 -65.4 -54.8 17.8 12.4 -0.1 33 71 A P H 4>S+ 0 0 11 0, 0.0 5,-2.6 0, 0.0 3,-0.3 0.876 115.4 55.1 -65.6 -32.4 20.5 15.1 0.2 34 72 A G H ><5S+ 0 0 1 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.917 105.0 51.1 -66.4 -39.8 22.2 13.4 3.1 35 73 A N H 3<5S+ 0 0 29 -4,-2.3 -1,-0.2 -5,-0.3 -3,-0.1 0.701 108.5 55.5 -67.1 -19.3 22.5 10.1 1.1 36 74 A N T 3<5S- 0 0 64 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.275 117.1-119.1 -91.0 5.8 24.1 12.4 -1.5 37 75 A N T < 5 + 0 0 19 -3,-2.1 141,-0.2 1,-0.2 -3,-0.2 0.770 61.2 151.6 60.3 32.2 26.6 13.7 1.1 38 76 A Q < - 0 0 80 -5,-2.6 -1,-0.2 -6,-0.1 139,-0.1 -0.560 53.8-127.7 -87.6 161.9 25.4 17.2 0.8 39 77 A S + 0 0 58 -2,-0.2 -1,-0.1 -10,-0.1 -5,-0.1 0.519 58.7 139.7 -89.8 -2.7 25.6 19.7 3.6 40 78 A T - 0 0 52 -7,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.103 46.8-136.5 -45.5 127.1 21.9 20.6 3.4 41 79 A K - 0 0 43 -12,-0.1 -12,-0.2 1,-0.1 14,-0.1 -0.555 25.7 -93.6 -85.5 151.9 20.5 21.0 6.9 42 80 A I E -K 54 0C 0 12,-0.7 12,-2.5 -14,-0.3 2,-0.3 -0.427 53.2-178.3 -51.5 134.7 17.1 19.6 8.0 43 81 A S E -K 53 0C 12 10,-0.2 45,-2.0 -2,-0.1 2,-0.3 -0.999 10.8-176.6-148.7 144.4 14.6 22.4 7.5 44 82 A L E -K 52 0C 2 8,-2.3 8,-2.7 -2,-0.3 2,-0.5 -0.973 33.6-110.2-136.3 151.6 10.9 22.7 8.2 45 83 A K E -K 51 0C 41 41,-0.4 84,-2.8 -2,-0.3 6,-0.2 -0.714 44.9-142.4 -76.2 125.0 8.0 25.2 7.7 46 84 A M > - 0 0 11 4,-3.2 3,-1.9 -2,-0.5 -1,-0.1 -0.228 29.0 -87.9 -89.1 178.7 7.2 26.4 11.2 47 85 A E T 3 S+ 0 0 103 1,-0.3 -1,-0.1 81,-0.2 -2,-0.0 0.823 130.1 46.7 -60.0 -34.7 3.8 27.2 12.7 48 86 A D T 3 S- 0 0 134 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.471 121.9-106.9 -88.2 -1.2 4.0 30.8 11.5 49 87 A G S < S+ 0 0 33 -3,-1.9 -2,-0.1 1,-0.4 2,-0.1 0.184 77.9 128.4 100.2 -12.9 5.1 29.6 8.1 50 88 A S - 0 0 54 -5,-0.1 -4,-3.2 1,-0.1 2,-0.5 -0.392 61.4-114.7 -75.3 163.5 8.7 30.7 8.3 51 89 A I E -K 45 0C 111 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.782 30.3-168.8-101.9 129.6 11.4 28.1 7.5 52 90 A S E -K 44 0C 42 -8,-2.7 -8,-2.3 -2,-0.5 2,-0.3 -0.945 10.3-145.5-116.6 138.2 13.8 27.0 10.3 53 91 A E E -K 43 0C 132 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.771 14.0-153.9 -95.2 151.6 17.0 25.0 9.9 54 92 A F E -K 42 0C 21 -12,-2.5 -12,-0.7 -2,-0.3 3,-0.0 -0.987 17.3-154.1-129.8 141.0 18.0 22.5 12.4 55 93 A E S S+ 0 0 102 -2,-0.4 2,-0.3 -14,-0.1 -1,-0.1 0.875 82.4 38.6 -75.5 -36.7 21.4 21.2 13.3 56 94 A K S S+ 0 0 18 -15,-0.1 106,-3.1 -14,-0.0 2,-0.3 -0.867 74.3 86.7-123.2 146.6 20.2 17.9 14.7 57 95 A G E - C 0 161A 0 -2,-0.3 -29,-3.5 104,-0.3 2,-0.4 -0.960 61.4 -76.8 159.7-172.2 17.5 15.3 13.8 58 96 A L E -BC 27 160A 0 102,-1.7 102,-2.7 -2,-0.3 2,-0.5 -0.979 28.0-156.5-119.8 141.8 16.6 12.3 11.7 59 97 A G E +BC 26 159A 0 -33,-2.5 -33,-2.8 -2,-0.4 2,-0.2 -0.965 25.5 151.7-124.6 123.4 15.8 12.1 8.0 60 98 A T E - C 0 158A 0 98,-3.0 98,-0.8 -2,-0.5 2,-0.5 -0.801 42.3-117.8-136.7 174.3 13.8 9.3 6.5 61 99 A I E - C 0 157A 5 -2,-0.2 -44,-1.8 96,-0.2 -43,-0.2 -0.989 41.3-114.3-116.3 128.7 11.4 8.4 3.7 62 100 A A + 0 0 0 94,-2.0 86,-0.2 -2,-0.5 2,-0.2 -0.226 45.6 164.3 -59.3 156.6 8.0 7.3 4.8 63 101 A G B -g 148 0B 5 84,-2.2 86,-3.1 3,-0.1 87,-0.5 -0.489 55.6 -49.2-148.5-144.9 7.0 3.7 4.1 64 102 A S S S- 0 0 112 1,-0.8 84,-0.1 84,-0.2 2,-0.1 -0.229 133.0 -35.1-119.3 51.1 4.5 1.1 5.1 65 103 A P S S- 0 0 38 0, 0.0 -1,-0.8 0, 0.0 2,-0.5 0.715 77.1-147.4 -87.6 170.3 5.5 2.2 7.7 66 104 A S E - H 0 147B 1 81,-2.5 81,-2.2 -3,-0.5 2,-0.5 -0.880 28.5-159.5 -85.4 130.6 9.2 3.2 7.9 67 105 A T E - H 0 146B 21 -2,-0.5 -52,-2.2 79,-0.2 2,-0.5 -0.967 22.8-168.9-125.5 127.6 10.3 2.5 11.4 68 106 A I E -FH 14 145B 0 77,-2.2 77,-2.5 -2,-0.5 2,-0.5 -0.972 20.7-164.2-108.9 121.9 13.2 3.7 13.5 69 107 A T E -FH 13 144B 15 -56,-2.6 -57,-2.8 -2,-0.5 -56,-1.1 -0.930 9.0-170.8-116.8 130.2 13.6 1.7 16.6 70 108 A Y E - H 0 143B 5 73,-3.1 73,-2.2 -2,-0.5 2,-1.0 -0.949 21.6-136.8-114.3 139.4 15.6 2.6 19.8 71 109 A D E + H 0 142B 74 -2,-0.4 71,-0.2 -61,-0.3 -61,-0.1 -0.802 30.8 167.9 -90.3 100.6 16.3 0.3 22.7 72 110 A I > + 0 0 4 69,-1.7 3,-1.2 -2,-1.0 5,-0.5 0.061 18.6 145.3-107.6 22.7 15.7 2.6 25.7 73 111 A S T 3 S+ 0 0 52 68,-0.9 68,-0.2 1,-0.2 67,-0.1 -0.425 75.4 1.6 -62.9 132.7 15.7 -0.0 28.4 74 112 A G T 3 S+ 0 0 73 66,-0.3 96,-0.5 -2,-0.1 -1,-0.2 0.321 100.2 111.0 71.1 -0.8 17.2 1.2 31.7 75 113 A A S < S- 0 0 0 -3,-1.2 94,-2.4 65,-0.3 93,-0.2 0.638 77.3-132.6 -79.4 -16.6 17.8 4.7 30.3 76 114 A G - 0 0 30 -4,-0.4 92,-2.4 64,-0.2 2,-0.2 0.880 32.7-174.4 68.9 33.4 15.3 6.4 32.4 77 115 A V E +D 167 0A 10 -5,-0.5 90,-0.3 90,-0.3 63,-0.3 -0.473 15.2 166.8 -65.2 127.8 13.7 8.3 29.4 78 116 A T E + 0 0 48 88,-2.7 58,-1.7 1,-0.3 2,-0.3 0.598 58.6 25.8-117.2 -17.7 11.1 10.7 30.7 79 117 A K E -DE 166 135A 55 87,-1.3 87,-2.5 56,-0.3 2,-0.4 -0.998 52.8-161.0-148.8 147.2 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 14.9-177.3-123.7 134.9 10.6 12.9 23.9 81 119 A F E +DE 164 133A 26 83,-2.6 83,-2.7 -2,-0.4 2,-0.3 -0.999 14.6 141.2-128.6 138.9 10.7 16.1 21.8 82 120 A S E - E 0 132A 0 50,-2.0 50,-3.2 -2,-0.4 2,-0.4 -0.918 42.4-127.4-163.1 148.3 10.7 16.5 18.1 83 121 A Y E -DE 161 131A 47 78,-2.6 78,-2.0 -2,-0.3 2,-0.4 -0.793 32.3-154.2 -82.1 143.6 9.3 18.7 15.3 84 122 A L E +DE 160 130A 1 46,-2.3 46,-2.4 -2,-0.4 2,-0.3 -0.974 33.5 102.5-119.5 142.7 7.7 16.6 12.6 85 123 A G E -D 159 0A 3 74,-1.3 74,-2.7 -2,-0.4 2,-0.5 -0.977 68.0 -65.6 175.0-176.5 7.2 17.5 9.1 86 124 A I E -D 158 0A 5 38,-0.4 -41,-0.4 41,-0.3 72,-0.2 -0.798 58.3-113.0 -94.2 124.2 8.2 17.1 5.4 87 125 A D > - 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