==== 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 09-MAR-01 1IOI . COMPND 2 MOLECULE: PYRROLIDONE CARBOXYL PEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR H.TANAKA,M.CHINAMI,M.OTA,T.TSUKIHARA,K.YUTANI . 832 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 71.5 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 . 48 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 . 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 . 4 0.5 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 . 51 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 8 4 0 0 4 0 0 8 0 0 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 . 4 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 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 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 67 0, 0.0 34,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 142.4 38.2 -61.4 78.6 2 2 A K E -a 35 0A 84 32,-0.2 60,-2.1 58,-0.1 61,-1.2 -0.987 360.0-165.9-128.7 137.1 35.2 -59.2 78.4 3 3 A V E -ab 36 63A 0 32,-2.0 34,-3.4 -2,-0.4 2,-0.3 -0.996 4.8-158.4-132.0 121.9 35.3 -55.4 78.1 4 4 A L E -ab 37 64A 0 59,-2.2 61,-1.7 -2,-0.4 2,-0.4 -0.790 10.2-179.0 -94.3 139.7 32.3 -53.0 78.6 5 5 A V E -ab 38 65A 0 32,-1.4 34,-3.1 -2,-0.3 2,-0.3 -0.984 9.0-170.1-139.5 124.3 32.5 -49.5 77.0 6 6 A T E +ab 39 66A 0 59,-2.2 61,-1.2 -2,-0.4 2,-0.3 -0.910 8.5 178.2-116.7 159.4 29.6 -47.3 77.6 7 7 A G E -a 40 0A 0 32,-1.6 34,-2.7 -2,-0.3 2,-0.3 -0.906 24.1-114.6-147.2 170.2 28.7 -44.0 76.1 8 8 A F E -a 41 0A 6 -2,-0.3 12,-0.8 32,-0.3 11,-0.2 -0.783 16.6-117.7-117.3 152.9 25.8 -41.6 76.5 9 9 A E - 0 0 60 32,-1.4 2,-0.1 -2,-0.3 7,-0.1 -0.279 57.2 -72.8 -65.1 161.0 23.0 -40.4 74.5 10 10 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 33,-0.2 -0.442 58.4-177.2 -61.2 142.7 22.8 -36.5 73.8 11 11 A F > + 0 0 35 5,-0.2 3,-2.5 -2,-0.1 5,-0.1 -0.762 49.0 20.1-135.4 172.1 21.8 -34.4 76.7 12 12 A G T 3 S- 0 0 57 79,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.633 131.2 -43.0 30.5 45.3 21.1 -30.7 77.5 13 13 A G T 3 S+ 0 0 78 1,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.533 96.3 138.9 89.1 0.5 20.5 -29.5 73.9 14 14 A E < - 0 0 34 -3,-2.5 -1,-0.4 1,-0.2 3,-0.1 -0.647 45.3-153.5 -75.5 137.0 23.4 -31.3 72.2 15 15 A K S S+ 0 0 194 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.664 78.9 21.1 -77.4 -25.0 22.1 -32.6 69.0 16 16 A I - 0 0 55 -5,-0.1 -5,-0.2 -7,-0.1 -1,-0.2 -0.948 58.4-152.6-149.0 149.0 24.8 -35.3 69.2 17 17 A N >> - 0 0 0 -2,-0.3 3,-1.2 -7,-0.1 4,-1.1 -0.954 11.7-153.9-125.9 109.6 26.9 -37.1 71.8 18 18 A P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -9,-0.1 0.700 92.6 64.7 -52.8 -17.3 30.2 -38.6 70.3 19 19 A T H 3> S+ 0 0 0 2,-0.2 4,-2.5 -11,-0.2 5,-0.2 0.785 93.4 57.4 -83.6 -28.9 30.3 -41.2 73.0 20 20 A E H <> S+ 0 0 52 -3,-1.2 4,-2.3 -12,-0.8 5,-0.2 0.962 110.2 45.2 -57.6 -55.0 27.1 -42.9 71.8 21 21 A R H X S+ 0 0 82 -4,-1.1 4,-1.5 1,-0.2 -2,-0.2 0.867 112.4 51.8 -62.7 -33.7 28.8 -43.4 68.4 22 22 A I H X S+ 0 0 1 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.936 109.1 50.2 -65.7 -38.6 32.1 -44.6 70.2 23 23 A A H >X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 3,-0.7 0.967 115.1 45.9 -61.6 -45.7 29.9 -47.3 72.3 24 24 A K H 3< S+ 0 0 118 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.754 110.0 51.0 -70.5 -29.5 28.4 -48.4 69.0 25 25 A D H 3< S+ 0 0 78 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.648 112.3 46.1 -85.9 -19.2 31.6 -48.6 67.1 26 26 A L H X< S+ 0 0 9 -4,-1.1 3,-1.6 -3,-0.7 2,-0.4 0.498 86.5 115.6 -99.2 -2.1 33.4 -50.7 69.7 27 27 A D T 3< S+ 0 0 77 -4,-0.7 10,-0.2 1,-0.3 3,-0.1 -0.487 85.9 1.5 -74.5 123.3 30.5 -53.0 70.1 28 28 A G T 3 S+ 0 0 43 8,-2.2 -1,-0.3 -2,-0.4 9,-0.2 0.498 97.1 124.3 86.0 7.7 31.3 -56.5 69.0 29 29 A I < - 0 0 53 -3,-1.6 7,-2.4 7,-0.2 2,-0.4 -0.348 50.3-139.6 -91.5 176.5 34.9 -56.0 68.0 30 30 A K E -C 35 0A 128 5,-0.2 2,-0.8 -3,-0.1 5,-0.2 -0.999 7.7-152.9-136.8 136.6 37.7 -58.1 69.5 31 31 A I E > S-C 34 0A 50 3,-1.8 3,-1.9 -2,-0.4 2,-0.2 -0.896 72.8 -64.7-112.7 91.2 41.1 -56.8 70.6 32 32 A G T 3 S- 0 0 59 -2,-0.8 0, 0.0 1,-0.3 0, 0.0 -0.485 123.9 -4.1 70.9-123.8 42.9 -60.1 70.1 33 33 A D T 3 S+ 0 0 121 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.592 116.8 93.0 -56.7 -35.5 41.5 -62.5 72.5 34 34 A A E < - C 0 31A 0 -3,-1.9 -3,-1.8 -32,-0.1 2,-0.4 -0.619 64.8-142.0 -83.4 128.0 39.1 -59.9 74.3 35 35 A Q E -aC 2 30A 58 -34,-2.0 -32,-2.0 -2,-0.4 2,-0.4 -0.753 16.8-151.9 -85.9 134.3 35.5 -59.4 73.3 36 36 A V E -a 3 0A 2 -7,-2.4 -8,-2.2 -2,-0.4 2,-0.4 -0.893 7.8-165.6-110.4 137.8 34.4 -55.8 73.5 37 37 A F E -a 4 0A 33 -34,-3.4 -32,-1.4 -2,-0.4 2,-0.4 -0.989 3.6-160.1-125.8 132.1 30.8 -54.8 74.2 38 38 A G E +a 5 0A 6 -2,-0.4 2,-0.4 -34,-0.2 -32,-0.2 -0.953 13.4 174.0-121.4 124.1 29.6 -51.3 73.7 39 39 A R E -a 6 0A 68 -34,-3.1 -32,-1.6 -2,-0.4 2,-0.5 -0.973 24.4-140.8-135.1 141.9 26.4 -49.9 75.3 40 40 A V E -a 7 0A 46 -2,-0.4 -32,-0.3 -34,-0.3 -20,-0.1 -0.931 21.4-154.4-102.3 122.2 24.9 -46.4 75.4 41 41 A L E -a 8 0A 2 -34,-2.7 -32,-1.4 -2,-0.5 2,-0.1 -0.644 22.0-106.2 -91.3 150.4 23.3 -45.4 78.8 42 42 A P - 0 0 15 0, 0.0 2,-1.5 0, 0.0 -1,-0.1 -0.480 20.4-127.5 -63.5 147.7 20.4 -42.8 79.3 43 43 A V S S+ 0 0 2 -33,-0.2 50,-3.0 -2,-0.1 2,-0.4 -0.643 77.3 114.9 -95.1 72.2 21.4 -39.3 80.8 44 44 A V S > S- 0 0 2 -2,-1.5 4,-2.9 48,-0.2 5,-0.2 -0.946 70.7-126.3-150.9 113.7 18.7 -39.9 83.3 45 45 A F T 4 S+ 0 0 5 -2,-0.4 2,-1.6 2,-0.2 51,-0.1 -0.394 96.5 17.6 -57.5 141.6 19.4 -40.3 87.0 46 46 A G T >> S+ 0 0 34 1,-0.2 4,-2.1 -2,-0.1 3,-0.6 -0.606 121.9 60.0 93.0 -74.0 17.9 -43.6 88.3 47 47 A K H 3> S+ 0 0 81 -2,-1.6 4,-2.6 1,-0.2 5,-0.3 0.849 100.2 55.3 -54.0 -42.4 17.4 -45.1 84.9 48 48 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.878 109.0 48.7 -61.0 -37.2 21.2 -45.0 84.1 49 49 A K H <> S+ 0 0 74 -3,-0.6 4,-2.5 -5,-0.2 -1,-0.2 0.897 113.2 46.9 -64.6 -45.5 21.9 -46.9 87.4 50 50 A E H X S+ 0 0 99 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.983 114.8 44.2 -60.4 -63.0 19.4 -49.5 86.6 51 51 A V H X S+ 0 0 32 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.897 115.5 50.7 -50.8 -44.4 20.5 -50.0 83.0 52 52 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.878 110.4 47.7 -69.0 -33.2 24.2 -50.0 84.1 53 53 A E H X S+ 0 0 48 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.949 111.1 50.4 -77.4 -39.0 23.6 -52.6 86.9 54 54 A K H X S+ 0 0 127 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.914 112.4 48.6 -52.0 -52.6 21.7 -55.0 84.5 55 55 A T H X>S+ 0 0 12 -4,-1.9 4,-3.0 1,-0.2 5,-0.6 0.892 111.5 47.3 -59.2 -47.4 24.5 -54.7 81.9 56 56 A L H X5S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.881 115.3 48.3 -64.2 -35.4 27.3 -55.4 84.4 57 57 A E H <5S+ 0 0 80 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.923 116.9 40.9 -64.6 -51.0 25.2 -58.4 85.7 58 58 A E H <5S+ 0 0 120 -4,-3.0 -2,-0.2 1,-0.1 -3,-0.2 0.887 129.4 27.1 -65.8 -47.8 24.5 -59.8 82.1 59 59 A I H <5S- 0 0 3 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.820 81.3-161.3 -86.8 -32.9 28.1 -59.2 80.6 60 60 A K << - 0 0 106 -4,-1.6 -4,-0.1 -5,-0.6 -3,-0.1 0.924 25.0-160.5 43.5 56.2 30.1 -59.5 84.0 61 61 A P - 0 0 0 0, 0.0 99,-0.2 0, 0.0 -58,-0.2 -0.088 28.1-142.3 -70.7 156.3 33.1 -57.7 82.3 62 62 A D S S+ 0 0 35 -60,-2.1 98,-1.5 1,-0.3 99,-1.4 0.769 92.8 27.0 -82.3 -28.5 36.7 -57.7 83.5 63 63 A I E -bd 3 161A 0 -61,-1.2 -59,-2.2 97,-0.2 2,-0.4 -0.988 68.9-166.9-135.9 129.2 37.3 -54.1 82.5 64 64 A A E -bd 4 162A 0 97,-1.9 99,-0.6 -2,-0.4 2,-0.5 -0.997 4.2-173.0-121.7 131.3 34.6 -51.5 82.3 65 65 A I E -bd 5 163A 1 -61,-1.7 -59,-2.2 -2,-0.4 2,-0.4 -0.992 5.8-162.4-129.1 116.5 35.4 -48.1 80.6 66 66 A H E -bd 6 164A 0 97,-2.9 99,-2.4 -2,-0.5 2,-0.4 -0.878 8.4-164.8-106.9 132.1 32.8 -45.4 80.8 67 67 A V E + d 0 165A 0 -61,-1.2 2,-0.3 -2,-0.4 99,-0.2 -0.952 9.2 175.6-127.2 140.2 33.1 -42.6 78.3 68 68 A G E - d 0 166A 0 97,-2.6 99,-3.2 -2,-0.4 2,-0.5 -0.986 36.6-105.0-148.0 154.2 31.4 -39.1 78.3 69 69 A L E - d 0 167A 8 -2,-0.3 73,-0.1 97,-0.2 100,-0.1 -0.655 28.0-171.3 -73.9 116.7 31.2 -35.7 76.5 70 70 A A > - 0 0 5 97,-2.9 3,-2.0 -2,-0.5 99,-0.2 -0.773 21.0-146.4-110.3 78.2 33.1 -33.1 78.6 71 71 A P T 3 S+ 0 0 60 0, 0.0 3,-0.1 0, 0.0 115,-0.1 -0.183 80.1 18.9 -48.6 124.9 32.1 -29.8 76.6 72 72 A G T 3 S+ 0 0 44 113,-0.7 2,-0.2 1,-0.5 114,-0.1 0.314 91.7 127.2 92.9 -15.1 34.9 -27.1 76.6 73 73 A R < - 0 0 53 -3,-2.0 96,-0.6 112,-0.2 -1,-0.5 -0.560 47.9-157.3 -73.6 140.6 37.6 -29.6 77.5 74 74 A S + 0 0 13 -2,-0.2 2,-0.3 527,-0.1 530,-0.3 0.377 66.9 26.8 -98.7 -6.1 40.5 -29.5 75.0 75 75 A A S S- 0 0 0 110,-0.1 2,-0.5 528,-0.1 56,-0.2 -0.920 96.5 -73.5-150.3 168.3 42.0 -33.0 75.5 76 76 A I E -e 131 0A 2 54,-2.1 56,-2.9 -2,-0.3 2,-0.6 -0.616 50.0-154.8 -67.1 121.3 41.1 -36.5 76.5 77 77 A S E -eF 132 166A 0 89,-2.9 89,-3.0 -2,-0.5 2,-0.8 -0.931 3.6-154.5-111.2 117.3 40.7 -36.3 80.3 78 78 A I E -eF 133 165A 0 54,-3.4 56,-1.9 -2,-0.6 2,-0.3 -0.902 22.5-128.4 -90.0 111.7 41.3 -39.5 82.2 79 79 A E E -e 134 0A 0 85,-2.0 85,-0.4 -2,-0.8 56,-0.2 -0.426 24.9-177.3 -68.3 124.3 39.3 -39.4 85.5 80 80 A R + 0 0 14 54,-2.9 33,-2.0 -2,-0.3 2,-0.4 0.850 65.6 36.0 -83.3 -37.7 40.9 -40.1 88.9 81 81 A I E -G 112 0B 8 53,-0.4 56,-0.4 31,-0.2 2,-0.4 -0.964 47.1-167.3-137.1 128.5 37.9 -39.9 91.4 82 82 A A E -G 111 0B 0 29,-3.2 29,-2.4 -2,-0.4 2,-0.4 -0.866 25.6-157.8 -97.3 138.9 34.2 -40.7 91.5 83 83 A V E -G 110 0B 10 -2,-0.4 2,-2.1 55,-0.2 27,-0.2 -0.955 26.0-111.0-122.8 148.9 32.5 -39.1 94.5 84 84 A N S S+ 0 0 12 25,-3.3 2,-0.3 -2,-0.4 26,-0.1 -0.417 80.7 89.6 -75.8 65.1 29.3 -40.1 96.3 85 85 A A - 0 0 10 -2,-2.1 2,-0.4 17,-0.3 -2,-0.2 -0.990 52.1-156.7-164.1 144.3 27.1 -37.0 95.3 86 86 A I B +H 101 0C 8 15,-2.5 15,-1.8 -2,-0.3 14,-0.2 -0.975 22.3 158.4-116.9 135.9 24.7 -35.6 92.7 87 87 A D - 0 0 28 52,-2.3 2,-0.4 -2,-0.4 12,-0.3 -0.629 26.3-164.6-151.1 83.3 24.5 -31.8 92.5 88 88 A A - 0 0 0 10,-2.8 52,-0.1 1,-0.2 -2,-0.1 -0.651 17.2-170.1 -79.5 124.7 23.1 -31.4 89.0 89 89 A R S S+ 0 0 133 -2,-0.4 -1,-0.2 8,-0.1 8,-0.1 0.873 83.4 30.2 -73.2 -46.6 23.4 -27.9 87.6 90 90 A I S S- 0 0 61 6,-0.1 8,-0.3 8,-0.1 2,-0.2 -0.724 101.1 -98.1-104.4 160.8 21.2 -28.8 84.7 91 91 A P - 0 0 54 0, 0.0 -79,-0.3 0, 0.0 6,-0.3 -0.548 34.9-112.3 -69.6 144.5 18.5 -31.5 84.8 92 92 A D > - 0 0 3 4,-2.6 3,-2.6 -2,-0.2 -48,-0.2 -0.272 54.0 -79.8 -62.4 172.6 19.0 -35.0 83.6 93 93 A N T 3 S+ 0 0 69 -50,-3.0 -49,-0.2 1,-0.3 -1,-0.1 0.518 130.1 55.0 -58.3 -4.4 17.0 -35.8 80.4 94 94 A E T 3 S- 0 0 115 -51,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.558 123.9 -94.6-104.5 -7.9 13.8 -36.4 82.2 95 95 A G S < S+ 0 0 57 -3,-2.6 2,-0.8 1,-0.2 -2,-0.1 0.348 78.9 136.8 109.7 -1.2 13.7 -33.1 84.0 96 96 A K - 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