==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-05 1Z8X . COMPND 2 MOLECULE: PYRROLIDONE-CARBOXYLATE PEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR J.K.KAUSHIK,Y.YAMAGATA,K.OGASAHARA,K.YUTANI . 832 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 556 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 112 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 6.2 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 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 . 48 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 0 4 4 0 0 4 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 8 0 0 8 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 . 6 8 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 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 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 M 0 0 91 0, 0.0 34,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 137.9 14.5 -61.7 22.4 2 2 A K E -a 35 0A 72 32,-0.2 60,-2.4 58,-0.1 61,-1.6 -0.987 360.0-163.9-128.4 134.4 11.8 -59.4 21.0 3 3 A V E -ab 36 63A 0 32,-3.0 34,-3.4 -2,-0.4 2,-0.5 -0.963 3.7-159.0-120.3 129.3 11.9 -55.7 20.7 4 4 A L E -ab 37 64A 0 59,-2.9 61,-2.9 -2,-0.4 2,-0.4 -0.920 10.6-177.6-107.7 126.6 8.9 -53.4 20.1 5 5 A V E -ab 38 65A 0 32,-3.1 34,-2.4 -2,-0.5 2,-0.3 -0.991 7.0-168.5-123.3 128.8 9.5 -49.9 18.8 6 6 A T E -ab 39 66A 2 59,-1.7 61,-2.4 -2,-0.4 2,-0.3 -0.856 8.2-179.6-118.6 156.7 6.6 -47.6 18.3 7 7 A G E -a 40 0A 0 32,-1.8 34,-3.1 -2,-0.3 2,-0.3 -0.790 23.9-114.7-137.2 178.1 6.2 -44.2 16.5 8 8 A F E -a 41 0A 5 -2,-0.3 12,-0.4 32,-0.2 13,-0.1 -0.872 19.7-117.8-121.6 156.4 3.3 -41.8 16.0 9 9 A E - 0 0 58 32,-1.6 7,-0.1 -2,-0.3 10,-0.1 -0.237 56.0 -67.3 -78.7 174.4 1.4 -40.6 13.0 10 10 A P + 0 0 39 0, 0.0 2,-0.3 0, 0.0 33,-0.3 -0.282 63.1 169.9 -63.8 151.8 1.4 -36.9 12.0 11 11 A F > + 0 0 31 5,-0.3 3,-2.0 -3,-0.1 5,-0.1 -0.967 44.6 37.1-155.8 168.4 -0.3 -34.5 14.4 12 12 A G T 3 S- 0 0 55 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.761 127.4 -57.4 56.6 29.1 -0.8 -30.8 15.1 13 13 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 2,-0.0 2,-0.0 0.295 99.3 140.7 87.8 -12.6 -0.9 -29.8 11.5 14 14 A E < - 0 0 30 -3,-2.0 -1,-0.3 1,-0.1 3,-0.1 -0.374 50.5-142.8 -63.9 142.9 2.5 -31.3 10.7 15 15 A K S S+ 0 0 173 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.784 79.6 18.1 -78.0 -28.7 2.7 -33.1 7.4 16 16 A I - 0 0 52 -5,-0.1 -5,-0.3 -7,-0.1 -1,-0.1 -0.931 56.7-150.2-139.8 164.0 4.9 -35.8 8.7 17 17 A N >> - 0 0 3 -2,-0.3 3,-1.8 -7,-0.1 4,-1.0 -0.958 13.6-152.3-133.2 110.1 6.1 -37.4 11.9 18 18 A P H 3> S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.755 93.3 65.6 -56.8 -22.9 9.7 -38.8 11.6 19 19 A T H 3> S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.772 94.1 59.1 -72.0 -23.4 8.9 -41.4 14.3 20 20 A E H <> S+ 0 0 49 -3,-1.8 4,-2.0 -12,-0.4 -1,-0.2 0.928 107.9 45.4 -68.0 -42.8 6.4 -43.0 11.9 21 21 A R H X S+ 0 0 92 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.864 109.6 56.2 -67.6 -35.1 9.2 -43.6 9.4 22 22 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.943 108.1 47.3 -60.3 -48.5 11.4 -44.9 12.2 23 23 A A H X S+ 0 0 1 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.908 114.1 46.7 -60.3 -44.5 8.9 -47.5 13.2 24 24 A K H < S+ 0 0 133 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.870 112.3 50.4 -67.1 -37.1 8.4 -48.6 9.6 25 25 A D H < S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.807 115.5 42.4 -70.6 -31.2 12.2 -48.7 8.9 26 26 A L H >< S+ 0 0 0 -4,-1.9 3,-1.6 -5,-0.2 -1,-0.2 0.663 87.1 111.4 -90.3 -16.9 12.9 -50.8 12.0 27 27 A D T 3< S+ 0 0 74 -4,-1.4 10,-0.2 1,-0.2 3,-0.1 -0.378 88.5 6.8 -62.8 127.4 9.9 -53.2 11.6 28 28 A G T 3 S+ 0 0 48 8,-2.0 -1,-0.2 1,-0.3 9,-0.1 0.286 96.3 126.7 87.2 -11.2 11.1 -56.7 10.7 29 29 A I < - 0 0 51 -3,-1.6 7,-2.2 6,-0.1 2,-0.4 -0.402 49.5-140.3 -78.6 158.8 14.8 -56.1 11.1 30 30 A K E -C 35 0A 111 5,-0.2 2,-0.6 -3,-0.1 5,-0.2 -0.946 9.4-162.4-120.8 141.7 16.9 -58.3 13.3 31 31 A I E > S-C 34 0A 36 3,-2.0 3,-1.7 -2,-0.4 2,-0.4 -0.925 74.7 -46.7-121.1 98.7 19.7 -57.1 15.5 32 32 A G T 3 S- 0 0 63 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.616 121.9 -27.8 73.9-130.6 21.7 -60.3 16.3 33 33 A D T 3 S+ 0 0 158 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.454 115.5 109.0 -95.8 -2.1 19.2 -62.9 17.2 34 34 A A E < - C 0 31A 5 -3,-1.7 -3,-2.0 -32,-0.1 2,-0.5 -0.575 62.9-141.1 -79.4 133.8 16.7 -60.3 18.5 35 35 A Q E -aC 2 30A 55 -34,-2.6 -32,-3.0 -2,-0.3 2,-0.4 -0.820 13.1-151.2 -97.0 130.5 13.6 -59.7 16.4 36 36 A V E -a 3 0A 0 -7,-2.2 -8,-2.0 -2,-0.5 2,-0.5 -0.861 7.0-164.8-105.4 134.1 12.4 -56.1 16.1 37 37 A F E -a 4 0A 44 -34,-3.4 -32,-3.1 -2,-0.4 2,-0.5 -0.969 4.7-160.8-117.2 128.8 8.8 -55.1 15.6 38 38 A G E +a 5 0A 8 -2,-0.5 2,-0.4 -34,-0.2 -32,-0.2 -0.946 13.4 175.5-114.0 126.5 7.9 -51.6 14.5 39 39 A R E -a 6 0A 70 -34,-2.4 -32,-1.8 -2,-0.5 2,-0.5 -0.988 23.2-138.5-133.6 140.4 4.3 -50.2 15.0 40 40 A V E -a 7 0A 46 -2,-0.4 -32,-0.2 -34,-0.2 -20,-0.1 -0.815 19.7-155.1 -98.4 130.7 2.7 -46.8 14.4 41 41 A L E -a 8 0A 1 -34,-3.1 -32,-1.6 -2,-0.5 2,-0.2 -0.744 18.0-115.0-104.0 150.8 0.3 -45.5 17.0 42 42 A P - 0 0 15 0, 0.0 2,-1.5 0, 0.0 9,-0.0 -0.544 21.4-124.5 -81.5 151.4 -2.5 -43.0 16.4 43 43 A V S S+ 0 0 3 -33,-0.3 50,-2.8 -2,-0.2 2,-0.3 -0.507 78.4 109.2 -92.4 65.1 -2.2 -39.6 18.1 44 44 A V S > S- 0 0 10 -2,-1.5 4,-2.7 48,-0.2 5,-0.3 -0.965 70.8-123.7-144.7 122.2 -5.6 -40.2 19.8 45 45 A F T 4 S+ 0 0 17 -2,-0.3 2,-1.9 1,-0.2 51,-0.0 -0.282 97.2 17.2 -61.1 152.1 -6.3 -40.9 23.4 46 46 A G T > S+ 0 0 28 1,-0.2 4,-2.4 4,-0.0 -1,-0.2 -0.513 123.7 57.3 84.8 -72.7 -8.2 -44.1 23.9 47 47 A K H > S+ 0 0 96 -2,-1.9 4,-2.6 1,-0.2 5,-0.2 0.901 104.5 52.5 -57.8 -43.2 -7.5 -45.5 20.5 48 48 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.891 109.5 50.6 -60.2 -39.3 -3.7 -45.3 21.2 49 49 A K H > S+ 0 0 77 -5,-0.3 4,-2.7 2,-0.2 5,-0.2 0.921 109.7 49.8 -64.4 -44.7 -4.3 -47.2 24.4 50 50 A E H X S+ 0 0 113 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.951 113.9 44.2 -58.9 -52.4 -6.2 -49.9 22.6 51 51 A V H X S+ 0 0 48 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.911 114.1 50.7 -59.4 -45.0 -3.6 -50.4 19.9 52 52 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.949 112.2 45.7 -58.8 -53.1 -0.7 -50.3 22.5 53 53 A E H X S+ 0 0 50 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.918 114.0 48.6 -58.0 -47.4 -2.3 -52.9 24.7 54 54 A K H X S+ 0 0 128 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.917 113.0 48.4 -59.7 -44.4 -3.2 -55.2 21.8 55 55 A T H X>S+ 0 0 9 -4,-2.6 4,-2.8 -5,-0.2 5,-0.5 0.911 112.2 48.0 -63.4 -44.0 0.3 -54.9 20.5 56 56 A L H X5S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.916 115.6 44.7 -63.5 -42.6 1.9 -55.6 23.9 57 57 A E H <5S+ 0 0 125 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.893 116.5 47.4 -67.3 -40.9 -0.3 -58.6 24.4 58 58 A E H <5S+ 0 0 125 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.958 126.6 24.1 -65.0 -55.9 0.2 -59.9 20.8 59 59 A I H <5S- 0 0 11 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.822 81.4-155.5 -82.8 -34.4 4.0 -59.5 20.7 60 60 A K << - 0 0 103 -4,-2.2 -58,-0.1 -5,-0.5 -3,-0.1 0.962 24.7-156.9 52.2 57.6 4.9 -59.7 24.4 61 61 A P - 0 0 1 0, 0.0 -58,-0.2 0, 0.0 99,-0.2 -0.241 24.1-146.3 -65.3 150.3 8.1 -57.8 23.9 62 62 A D S S+ 0 0 27 -60,-2.4 99,-1.8 1,-0.3 98,-1.0 0.770 92.4 29.5 -83.5 -30.1 11.1 -58.1 26.3 63 63 A I E -bd 3 161A 0 -61,-1.6 -59,-2.9 97,-0.2 2,-0.5 -0.994 67.7-167.7-133.3 135.8 11.9 -54.5 25.5 64 64 A A E -bd 4 162A 0 97,-2.4 99,-1.6 -2,-0.4 2,-0.5 -0.986 4.8-178.6-127.3 120.6 9.6 -51.6 24.5 65 65 A I E -bd 5 163A 0 -61,-2.9 -59,-1.7 -2,-0.5 2,-0.5 -0.955 9.9-162.7-122.2 109.4 11.0 -48.4 23.2 66 66 A H E -bd 6 164A 0 97,-2.6 99,-2.7 -2,-0.5 2,-0.4 -0.805 8.2-162.5 -95.5 129.4 8.4 -45.8 22.4 67 67 A V E + d 0 165A 0 -61,-2.4 2,-0.3 -2,-0.5 99,-0.2 -0.877 12.7 168.5-116.1 145.7 9.4 -42.9 20.1 68 68 A G E - d 0 166A 0 97,-2.0 99,-2.7 -2,-0.4 2,-0.4 -0.958 35.8-101.4-149.2 166.1 7.9 -39.5 19.5 69 69 A L E - d 0 167A 7 -2,-0.3 73,-0.1 97,-0.2 100,-0.1 -0.764 24.4-167.6 -92.5 132.1 8.5 -36.1 18.0 70 70 A A > - 0 0 8 97,-2.9 3,-2.2 -2,-0.4 99,-0.3 -0.787 18.8-144.0-121.1 85.0 9.4 -33.2 20.3 71 71 A P T 3 S+ 0 0 59 0, 0.0 3,-0.1 0, 0.0 115,-0.1 -0.214 82.9 17.5 -50.2 126.7 9.0 -30.0 18.3 72 72 A G T 3 S+ 0 0 38 113,-0.4 2,-0.2 1,-0.3 114,-0.1 0.119 89.0 126.3 98.6 -24.0 11.7 -27.5 19.3 73 73 A R < - 0 0 58 -3,-2.2 96,-0.4 94,-0.2 -1,-0.3 -0.492 48.4-152.9 -72.7 141.2 14.1 -29.9 21.1 74 74 A S + 0 0 14 527,-0.2 2,-0.3 -2,-0.2 530,-0.3 0.528 67.8 19.9 -92.7 -9.6 17.6 -29.7 19.8 75 75 A A S S- 0 0 0 110,-0.1 56,-0.2 528,-0.1 2,-0.1 -0.925 96.0 -66.9-150.5 173.3 18.9 -33.2 20.5 76 76 A I E -e 131 0A 1 54,-2.0 56,-2.1 -2,-0.3 2,-0.4 -0.428 50.7-159.9 -63.6 135.6 17.8 -36.8 21.3 77 77 A S E -eF 132 166A 0 89,-2.4 89,-2.8 54,-0.2 2,-0.6 -0.988 9.4-155.6-126.7 130.6 16.0 -36.9 24.7 78 78 A I E -eF 133 165A 0 54,-2.3 56,-2.3 -2,-0.4 2,-0.3 -0.913 24.3-127.2-104.2 119.6 15.5 -40.0 26.8 79 79 A E E -e 134 0A 0 85,-2.5 85,-0.5 -2,-0.6 56,-0.2 -0.487 20.8-171.8 -73.4 127.7 12.6 -39.7 29.2 80 80 A R + 0 0 20 54,-2.8 33,-2.5 -2,-0.3 2,-0.4 0.822 67.8 27.3 -85.4 -32.8 13.3 -40.5 32.8 81 81 A I E -G 112 0B 3 53,-0.4 56,-0.6 31,-0.2 2,-0.4 -0.983 55.0-153.2-142.5 144.4 9.7 -40.5 34.1 82 82 A A E -G 111 0B 0 29,-2.5 29,-1.9 -2,-0.4 2,-0.4 -0.926 23.9-146.4-109.8 134.3 6.1 -41.1 33.0 83 83 A V E -G 110 0B 8 -2,-0.4 2,-2.4 55,-0.3 27,-0.2 -0.862 16.3-126.3-109.3 137.8 3.4 -39.2 34.9 84 84 A N S S+ 0 0 10 25,-3.2 2,-0.3 -2,-0.4 26,-0.1 -0.405 77.8 89.7 -77.2 66.5 -0.1 -40.5 35.7 85 85 A A - 0 0 12 -2,-2.4 2,-0.4 17,-0.2 -2,-0.2 -0.990 57.8-150.2-161.5 152.3 -1.9 -37.4 34.2 86 86 A I B +H 101 0C 6 15,-2.3 15,-1.1 -2,-0.3 54,-0.2 -0.989 26.9 152.7-128.1 119.5 -3.3 -36.0 31.0 87 87 A D - 0 0 30 52,-2.1 52,-0.3 -2,-0.4 2,-0.2 -0.639 27.0-162.2-147.1 80.8 -3.3 -32.2 30.5 88 88 A A - 0 0 2 10,-2.6 52,-0.1 -2,-0.2 -2,-0.0 -0.487 18.9-163.5 -74.3 131.7 -3.3 -31.6 26.7 89 89 A R S S+ 0 0 153 -2,-0.2 -1,-0.1 1,-0.1 8,-0.1 0.742 86.2 23.3 -80.5 -26.7 -2.3 -28.1 25.4 90 90 A I S S- 0 0 46 6,-0.1 8,-0.2 8,-0.1 -1,-0.1 -0.934 94.4 -99.3-135.3 157.0 -3.9 -29.1 22.1 91 91 A P - 0 0 59 0, 0.0 6,-0.3 0, 0.0 -79,-0.2 -0.295 40.7-110.0 -73.1 163.9 -6.6 -31.6 21.1 92 92 A D > - 0 0 6 4,-2.1 3,-2.6 1,-0.1 -48,-0.2 -0.193 48.4 -77.4 -82.8-176.8 -5.7 -35.0 19.7 93 93 A N T 3 S+ 0 0 61 -50,-2.8 -49,-0.1 1,-0.3 -1,-0.1 0.450 133.7 55.4 -63.6 2.1 -6.3 -36.0 16.1 94 94 A E T 3 S- 0 0 97 -51,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.271 121.3-105.1-114.3 5.6 -9.9 -36.6 17.0 95 95 A G S < S+ 0 0 55 -3,-2.6 2,-0.5 1,-0.2 -2,-0.1 0.682 74.0 140.3 79.4 19.6 -10.4 -33.1 18.3 96 96 A K - 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