==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-FEB-02 1IU8 . COMPND 2 MOLECULE: PYRROLIDONE-CARBOXYLATE PEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR M.SOKABE,T.KAWAMURA,N.SAKAI,M.YAO,N.WATANABE,I.TANAKA . 412 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17449.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.8 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.2 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 0 0 2 0 2 0 0 2 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 4 0 2 2 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 2 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 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 1 A M 0 0 81 0, 0.0 2,-0.4 0, 0.0 196,-0.0 0.000 360.0 360.0 360.0 133.8 45.6 81.0 4.9 2 2 A K - 0 0 82 55,-0.2 57,-2.4 54,-0.0 58,-1.7 -0.902 360.0-162.4-110.0 135.8 42.2 79.5 4.2 3 3 A I E -ab 33 60A 0 29,-2.8 31,-3.1 -2,-0.4 2,-0.5 -0.955 4.7-155.7-123.1 117.7 40.5 77.1 6.6 4 4 A L E -ab 34 61A 0 56,-2.8 58,-2.5 -2,-0.5 2,-0.5 -0.795 10.4-173.3 -92.8 125.8 37.6 74.8 5.6 5 5 A L E -ab 35 62A 0 29,-2.8 31,-1.8 -2,-0.5 2,-0.3 -0.977 8.3-168.1-119.5 117.0 35.5 73.7 8.5 6 6 A T E +ab 36 63A 0 56,-1.8 58,-1.9 -2,-0.5 31,-0.2 -0.768 9.1 174.1-109.1 154.1 32.8 71.1 7.6 7 7 A G E -a 37 0A 0 29,-2.0 31,-2.9 -2,-0.3 2,-0.3 -0.676 22.6-115.8-135.9-168.8 29.8 69.8 9.6 8 8 A F E -a 38 0A 4 29,-0.2 12,-0.3 -2,-0.2 11,-0.2 -0.968 18.7-117.1-138.6 154.1 26.9 67.5 9.0 9 9 A E - 0 0 52 29,-1.6 7,-0.1 -2,-0.3 10,-0.1 -0.245 54.8 -69.9 -78.8 172.2 23.1 67.8 9.0 10 10 A P + 0 0 42 0, 0.0 2,-0.3 0, 0.0 30,-0.2 -0.274 63.8 158.7 -64.5 151.1 20.9 65.9 11.5 11 11 A F > + 0 0 28 5,-0.3 3,-1.8 3,-0.1 5,-0.1 -0.969 37.5 45.2-162.1 174.4 20.6 62.1 11.3 12 12 A G T 3 S- 0 0 54 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.717 125.3 -50.7 55.8 28.4 19.8 58.9 13.0 13 13 A G T 3 S+ 0 0 73 1,-0.3 2,-0.4 -3,-0.0 -1,-0.3 0.261 108.9 118.3 97.7 -14.5 16.6 60.1 14.7 14 14 A D < - 0 0 25 -3,-1.8 -1,-0.3 1,-0.1 -3,-0.1 -0.730 56.6-148.3 -90.2 137.0 18.0 63.2 16.2 15 15 A D S S+ 0 0 160 -2,-0.4 2,-0.3 -5,-0.1 -1,-0.1 0.588 77.2 42.8 -79.5 -10.9 16.5 66.5 15.1 16 16 A K - 0 0 51 -5,-0.1 -5,-0.3 -7,-0.1 -7,-0.1 -0.955 55.4-159.8-138.1 155.2 19.8 68.5 15.5 17 17 A N >> - 0 0 2 -2,-0.3 3,-2.0 -7,-0.1 4,-0.6 -0.951 14.1-152.9-132.5 109.8 23.5 68.2 14.8 18 18 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.652 87.9 76.8 -58.4 -16.8 25.6 70.6 16.9 19 19 A T H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.821 90.4 58.1 -64.9 -26.2 28.4 70.7 14.3 20 20 A M H <> S+ 0 0 76 -3,-2.0 4,-2.4 -12,-0.3 -1,-0.2 0.934 106.5 46.8 -66.7 -43.9 26.0 73.0 12.4 21 21 A D H X S+ 0 0 53 -4,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.876 113.7 49.1 -63.9 -38.5 26.0 75.4 15.3 22 22 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.942 111.3 47.7 -66.9 -48.8 29.8 75.2 15.6 23 23 A V H X S+ 0 0 6 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.924 114.2 47.3 -59.1 -45.9 30.5 75.8 12.0 24 24 A E H X S+ 0 0 135 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.938 113.6 48.2 -61.8 -47.2 28.1 78.8 11.9 25 25 A A H X S+ 0 0 24 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.939 116.7 40.3 -60.1 -50.1 29.6 80.3 15.1 26 26 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 7,-0.2 0.812 111.8 54.7 -72.4 -31.1 33.2 79.9 14.0 27 27 A S H < S+ 0 0 35 -4,-2.3 -1,-0.2 -5,-0.3 6,-0.2 0.857 109.6 50.1 -70.3 -31.6 32.7 81.0 10.4 28 28 A E H < S+ 0 0 160 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.852 118.9 35.6 -73.2 -35.1 31.1 84.2 11.7 29 29 A R H < S+ 0 0 136 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.753 115.0 54.8 -91.2 -27.2 33.9 85.0 14.1 30 30 A I >< - 0 0 2 -4,-2.4 3,-2.0 -5,-0.1 -1,-0.2 -0.885 64.6-165.3-113.1 102.8 36.9 83.9 12.1 31 31 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.752 86.6 60.2 -56.8 -29.0 37.1 85.4 8.6 32 32 A E T 3 S+ 0 0 44 -30,-0.1 -29,-2.8 2,-0.0 2,-0.4 0.504 89.3 95.0 -79.6 -1.7 39.7 83.0 7.3 33 33 A V E < -a 3 0A 8 -3,-2.0 2,-0.5 -7,-0.2 -29,-0.2 -0.771 57.5-164.5 -95.4 132.4 37.2 80.1 8.0 34 34 A V E -a 4 0A 39 -31,-3.1 -29,-2.8 -2,-0.4 2,-0.4 -0.970 14.0-152.0-113.6 123.7 34.9 78.8 5.3 35 35 A G E +a 5 0A 32 -2,-0.5 2,-0.3 -31,-0.2 -29,-0.2 -0.782 18.2 172.7-104.0 143.7 32.0 76.7 6.5 36 36 A E E -a 6 0A 49 -31,-1.8 -29,-2.0 -2,-0.4 2,-0.6 -0.976 19.6-149.1-147.0 128.8 30.2 73.9 4.7 37 37 A I E -a 7 0A 59 -2,-0.3 -29,-0.2 -31,-0.2 -31,-0.1 -0.891 18.4-149.0-101.7 122.9 27.6 71.6 6.0 38 38 A L E -a 8 0A 1 -31,-2.9 -29,-1.6 -2,-0.6 2,-0.1 -0.638 15.0-118.2 -92.0 147.5 27.5 68.2 4.4 39 39 A P - 0 0 13 0, 0.0 2,-2.0 0, 0.0 6,-0.1 -0.503 28.4-112.7 -79.1 152.0 24.4 66.0 3.9 40 40 A V S S+ 0 0 2 -30,-0.2 50,-2.8 -2,-0.1 51,-0.4 -0.555 83.5 109.0 -86.9 74.6 24.4 62.6 5.7 41 41 A S > - 0 0 0 -2,-2.0 4,-3.0 48,-0.2 5,-0.4 -0.952 63.8-146.6-149.6 123.4 24.5 60.8 2.3 42 42 A F H > S+ 0 0 5 -2,-0.3 4,-1.9 2,-0.2 5,-0.2 0.946 102.4 42.9 -58.6 -47.7 27.4 58.9 1.0 43 43 A K H > S+ 0 0 92 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.952 121.6 37.7 -63.1 -52.9 26.6 59.8 -2.6 44 44 A R H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.829 115.1 53.4 -72.1 -32.5 25.8 63.5 -2.0 45 45 A A H X S+ 0 0 2 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.904 106.6 53.0 -69.2 -40.3 28.5 64.1 0.6 46 46 A R H X S+ 0 0 81 -4,-1.9 4,-2.1 -5,-0.4 5,-0.2 0.938 113.2 43.8 -59.5 -47.3 31.2 62.7 -1.7 47 47 A E H X S+ 0 0 133 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.948 117.3 45.0 -63.1 -49.9 30.1 65.1 -4.4 48 48 A K H X S+ 0 0 72 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.913 114.3 47.6 -62.6 -45.8 29.7 68.1 -2.1 49 49 A L H X S+ 0 0 2 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.926 113.4 46.5 -63.3 -46.5 33.0 67.6 -0.2 50 50 A L H X S+ 0 0 67 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.846 112.6 52.2 -66.3 -31.5 35.1 67.1 -3.3 51 51 A K H X S+ 0 0 125 -4,-1.8 4,-2.8 -5,-0.2 5,-0.2 0.952 110.7 44.9 -68.9 -50.3 33.5 70.2 -4.9 52 52 A V H X S+ 0 0 16 -4,-2.4 4,-3.0 1,-0.2 5,-0.5 0.890 111.7 53.5 -61.8 -40.1 34.2 72.5 -2.0 53 53 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.922 113.0 44.3 -60.4 -42.5 37.7 71.3 -1.6 54 54 A D H < S+ 0 0 72 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.899 117.2 44.2 -69.4 -41.5 38.3 72.0 -5.3 55 55 A D H < S+ 0 0 97 -4,-2.8 -2,-0.2 1,-0.1 -1,-0.2 0.891 124.6 32.5 -71.5 -40.9 36.6 75.4 -5.2 56 56 A V H < S- 0 0 40 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.830 80.9-158.4 -85.8 -34.9 38.2 76.6 -2.0 57 57 A R < - 0 0 136 -4,-2.3 -55,-0.2 -5,-0.5 -3,-0.1 0.956 25.0-158.1 51.9 54.0 41.6 74.9 -2.2 58 58 A P - 0 0 1 0, 0.0 -55,-0.2 0, 0.0 99,-0.2 -0.189 24.5-144.0 -62.7 153.4 41.9 75.3 1.6 59 59 A D S S+ 0 0 33 -57,-2.4 98,-2.0 1,-0.3 99,-1.5 0.801 91.6 22.3 -84.2 -33.2 45.3 75.2 3.3 60 60 A I E -bc 3 158A 1 -58,-1.7 -56,-2.8 96,-0.2 2,-0.4 -0.992 67.1-169.1-135.5 140.3 43.7 73.4 6.3 61 61 A T E -bc 4 159A 0 97,-1.6 99,-1.5 -2,-0.4 2,-0.5 -0.997 2.7-176.4-131.6 128.8 40.5 71.3 6.5 62 62 A I E -bc 5 160A 0 -58,-2.5 -56,-1.8 -2,-0.4 2,-0.4 -0.979 13.9-154.3-125.1 115.8 39.0 70.1 9.7 63 63 A N E -bc 6 161A 0 97,-2.6 99,-2.7 -2,-0.5 2,-0.3 -0.733 10.5-155.1 -89.4 137.8 35.9 67.9 9.4 64 64 A L E + c 0 162A 0 -58,-1.9 2,-0.3 -2,-0.4 99,-0.2 -0.859 15.9 170.4-114.4 149.5 33.4 67.9 12.3 65 65 A G E - c 0 163A 0 97,-1.9 99,-2.2 -2,-0.3 2,-0.4 -0.982 33.2-115.1-151.7 159.5 30.9 65.2 13.3 66 66 A L E - c 0 164A 4 -2,-0.3 73,-0.1 97,-0.2 100,-0.1 -0.839 21.3-162.7 -96.8 134.3 28.6 64.4 16.1 67 67 A A > - 0 0 10 97,-2.7 3,-2.3 -2,-0.4 99,-0.3 -0.802 16.6-143.8-118.9 85.1 29.4 61.2 18.0 68 68 A P T 3 S+ 0 0 63 0, 0.0 3,-0.1 0, 0.0 111,-0.1 -0.247 82.9 16.0 -51.1 123.3 26.3 60.2 19.9 69 69 A G T 3 S+ 0 0 38 109,-0.4 2,-0.1 1,-0.3 110,-0.1 0.201 89.5 127.9 99.9 -18.3 27.2 58.8 23.3 70 70 A R < - 0 0 68 -3,-2.3 96,-0.4 94,-0.2 -1,-0.3 -0.452 45.1-156.1 -75.2 149.7 30.8 60.0 23.6 71 71 A T S S+ 0 0 84 -2,-0.1 2,-0.3 94,-0.1 -1,-0.1 0.706 71.3 38.7 -95.7 -26.9 31.8 61.9 26.7 72 72 A H S S- 0 0 75 92,-0.1 2,-0.3 54,-0.1 56,-0.3 -0.768 94.2 -90.6-121.2 165.5 34.8 63.9 25.5 73 73 A I E -d 128 0A 0 54,-2.8 56,-2.3 -2,-0.3 2,-0.5 -0.635 47.7-143.0 -73.8 135.8 35.7 65.8 22.3 74 74 A S E -dE 129 163A 6 89,-2.7 89,-2.7 -2,-0.3 2,-0.8 -0.921 12.1-159.7-110.3 122.8 37.5 63.2 20.1 75 75 A V E -dE 130 162A 0 54,-2.7 56,-2.1 -2,-0.5 87,-0.2 -0.876 25.1-138.7-100.9 106.7 40.4 64.2 17.9 76 76 A E E +dE 131 161A 0 85,-2.2 85,-0.5 -2,-0.8 56,-0.2 -0.383 27.5 177.1 -71.2 138.8 40.6 61.5 15.3 77 77 A R + 0 0 20 54,-2.3 33,-1.9 1,-0.2 2,-0.4 0.636 64.4 54.9-111.5 -19.1 43.9 60.1 14.1 78 78 A V E -F 109 0B 1 53,-0.5 56,-0.6 31,-0.2 2,-0.5 -0.965 50.5-174.7-129.1 126.7 42.8 57.4 11.7 79 79 A A E -F 108 0B 0 29,-2.4 29,-2.1 -2,-0.4 2,-0.3 -0.962 21.9-151.7-111.9 127.9 40.6 57.4 8.6 80 80 A V E -F 107 0B 4 -2,-0.5 2,-2.4 55,-0.3 27,-0.3 -0.809 21.0-122.3-107.8 145.7 40.0 54.0 7.1 81 81 A N S S+ 0 0 11 25,-3.2 2,-0.3 -2,-0.3 26,-0.1 -0.395 77.6 103.5 -79.3 64.6 39.2 53.0 3.5 82 82 A M - 0 0 22 -2,-2.4 2,-0.5 17,-0.2 -2,-0.2 -0.992 53.6-159.3-152.2 138.1 35.9 51.4 4.4 83 83 A I E +G 98 0C 10 15,-2.2 15,-1.4 -2,-0.3 14,-0.9 -0.985 26.7 155.0-116.0 118.4 32.2 52.0 4.2 84 84 A D E -G 96 0C 5 52,-2.4 2,-0.7 -2,-0.5 52,-0.3 -0.696 25.1-161.2-144.8 83.5 30.3 49.8 6.7 85 85 A A - 0 0 0 10,-2.8 52,-0.1 -2,-0.2 4,-0.1 -0.594 12.5-172.6 -75.6 111.2 27.0 51.6 7.5 86 86 A R S S+ 0 0 150 -2,-0.7 -1,-0.2 2,-0.1 8,-0.0 0.585 82.6 22.2 -77.4 -10.2 25.5 50.2 10.7 87 87 A I S S- 0 0 70 6,-0.1 -1,-0.0 -3,-0.0 -3,-0.0 -0.953 98.8 -93.8-147.2 157.6 22.4 52.3 9.9 88 88 A P - 0 0 59 0, 0.0 6,-0.2 0, 0.0 -76,-0.2 -0.305 38.6-118.2 -72.3 162.3 21.2 53.8 6.7 89 89 A D > - 0 0 7 4,-2.7 3,-2.2 -78,-0.1 -48,-0.2 -0.313 43.6 -83.8 -88.4-179.0 22.1 57.3 5.6 90 90 A N T 3 S+ 0 0 70 -50,-2.8 -49,-0.2 1,-0.3 -1,-0.1 0.606 131.1 55.6 -64.5 -9.2 19.4 60.0 5.1 91 91 A D T 3 S- 0 0 75 -51,-0.4 -1,-0.3 2,-0.2 3,-0.1 0.406 119.8-108.3 -99.7 -0.1 18.8 58.7 1.6 92 92 A G S < S+ 0 0 54 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.349 74.9 135.5 91.7 -6.7 18.1 55.2 2.8 93 93 A E - 0 0 101 -5,-0.1 -4,-2.7 1,-0.1 -1,-0.3 -0.498 29.8-178.5 -76.9 144.0 21.3 53.7 1.5 94 94 A Q - 0 0 79 -6,-0.2 -1,-0.1 -2,-0.2 -11,-0.0 -0.441 10.2-175.9-141.9 65.1 23.3 51.4 3.7 95 95 A P - 0 0 27 0, 0.0 -10,-2.8 0, 0.0 2,-0.3 -0.279 3.6-169.4 -64.0 145.5 26.5 50.3 1.9 96 96 A K E +G 84 0C 90 -12,-0.2 -12,-0.3 1,-0.1 -2,-0.0 -1.000 58.8 6.0-141.7 141.8 28.8 47.7 3.5 97 97 A D E S+ 0 0 60 -14,-0.9 -13,-0.2 -2,-0.3 -1,-0.1 0.900 87.9 133.0 55.2 47.4 32.2 46.4 2.8 98 98 A E E -G 83 0C 105 -15,-1.4 -15,-2.2 -3,-0.1 -1,-0.2 -0.965 56.7-119.8-124.5 139.9 32.9 48.9 0.0 99 99 A P - 0 0 39 0, 0.0 3,-0.2 0, 0.0 -17,-0.2 -0.439 7.1-141.3 -77.2 156.3 36.1 50.9 -0.3 100 100 A I S S+ 0 0 4 1,-0.3 2,-0.4 -2,-0.1 -19,-0.1 0.860 96.9 17.8 -81.5 -39.4 35.9 54.7 -0.2 101 101 A V S > S- 0 0 29 4,-0.1 3,-2.3 3,-0.1 -1,-0.3 -0.961 87.6-125.8-135.2 114.6 38.6 54.9 -2.9 102 102 A E T 3 S+ 0 0 156 -2,-0.4 -4,-0.0 1,-0.3 0, 0.0 -0.398 98.7 7.6 -59.0 123.9 39.4 51.8 -5.0 103 103 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.424 98.7 134.4 83.8 -3.0 43.1 51.2 -4.7 104 104 A G < - 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