==== 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 1IOF . 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) . 30364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 576 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 13.0 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 . 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 . 50 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 5 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 12 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 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 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 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 70 0, 0.0 34,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 136.7 15.3 -61.6 22.6 2 2 A K E -a 35 0A 74 32,-0.2 60,-1.8 58,-0.2 61,-1.2 -0.927 360.0-164.8-111.7 145.0 12.5 -59.5 21.1 3 3 A V E -ab 36 63A 0 32,-1.6 34,-2.6 -2,-0.4 2,-0.4 -0.992 5.5-155.5-122.2 129.5 12.8 -55.7 21.2 4 4 A L E -ab 37 64A 0 59,-2.4 61,-2.1 -2,-0.4 2,-0.4 -0.941 11.1-175.6-102.3 136.6 9.7 -53.5 20.6 5 5 A V E -ab 38 65A 0 32,-1.7 34,-2.2 -2,-0.4 2,-0.3 -0.997 8.7-170.5-123.0 126.2 10.6 -50.0 19.3 6 6 A T E +ab 39 66A 1 59,-2.0 61,-1.2 -2,-0.4 2,-0.3 -0.853 9.6 177.5-113.4 164.1 7.6 -47.7 18.9 7 7 A G E -a 40 0A 0 32,-1.6 34,-3.1 -2,-0.3 2,-0.3 -0.909 23.5-115.9-144.5 176.6 7.2 -44.3 17.3 8 8 A F E -a 41 0A 0 -2,-0.3 12,-0.6 32,-0.2 11,-0.2 -0.791 17.9-114.0-119.0 160.6 4.2 -42.0 16.8 9 9 A E - 0 0 77 32,-1.5 2,-0.4 -2,-0.3 -1,-0.1 -0.071 65.9 -54.5 -65.5 177.5 2.3 -40.6 14.0 10 10 A P - 0 0 39 0, 0.0 33,-0.2 0, 0.0 -1,-0.2 -0.540 59.3-144.1 -60.1 112.9 2.3 -36.7 13.2 11 11 A F - 0 0 19 -2,-0.4 3,-0.5 1,-0.2 81,-0.1 -0.333 49.9 -56.0 -68.5 165.1 1.3 -35.0 16.4 12 12 A G S S+ 0 0 42 79,-0.3 2,-0.7 1,-0.2 -1,-0.2 -0.095 124.9 13.8 -50.5 127.5 -0.9 -31.9 15.9 13 13 A G S S+ 0 0 78 1,-0.3 -1,-0.2 -3,-0.1 0, 0.0 -0.582 102.1 95.3 111.8 -63.9 0.7 -29.3 13.6 14 14 A E - 0 0 34 -2,-0.7 -1,-0.3 -3,-0.5 3,-0.1 -0.084 56.5-156.9 -65.7 147.1 3.6 -31.3 12.1 15 15 A K S S+ 0 0 196 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.663 81.7 35.5 -97.6 -17.6 3.2 -33.0 8.8 16 16 A I - 0 0 42 -7,-0.1 -1,-0.2 -5,-0.1 -5,-0.2 -0.966 58.8-164.5-136.1 144.8 6.0 -35.5 9.5 17 17 A N >> - 0 0 3 -2,-0.3 3,-1.3 -7,-0.1 4,-0.8 -0.948 12.4-154.3-125.8 109.9 7.1 -37.3 12.7 18 18 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.704 90.4 67.4 -59.9 -15.9 10.6 -38.9 12.3 19 19 A T H 3> S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.827 92.4 60.2 -80.5 -23.3 9.8 -41.5 15.0 20 20 A E H <> S+ 0 0 51 -3,-1.3 4,-2.0 -12,-0.6 -1,-0.2 0.932 108.5 44.1 -60.9 -42.7 7.3 -43.0 12.6 21 21 A R H X S+ 0 0 81 -4,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.932 110.4 54.3 -70.5 -41.8 10.1 -43.6 10.1 22 22 A I H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.941 109.2 49.1 -59.2 -38.7 12.5 -44.9 12.8 23 23 A A H >X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 3,-0.6 0.945 113.9 45.3 -65.6 -46.6 9.8 -47.5 13.8 24 24 A K H 3< S+ 0 0 127 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.876 111.8 51.7 -65.6 -36.6 9.3 -48.7 10.2 25 25 A D H 3< S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.616 112.9 44.0 -75.4 -20.9 13.0 -48.9 9.4 26 26 A L H X< S+ 0 0 0 -4,-1.0 3,-1.8 -3,-0.6 -1,-0.2 0.560 85.5 115.4 -99.0 -7.1 13.9 -51.0 12.4 27 27 A D T 3< S+ 0 0 76 -4,-0.9 10,-0.2 -3,-0.3 3,-0.1 -0.414 86.7 5.2 -68.3 125.1 10.9 -53.3 12.0 28 28 A G T 3 S+ 0 0 42 8,-2.2 -1,-0.3 1,-0.3 9,-0.1 0.417 96.1 125.9 87.6 -1.1 12.1 -56.8 11.2 29 29 A I < - 0 0 53 -3,-1.8 7,-2.3 7,-0.1 2,-0.4 -0.361 51.1-138.1 -83.2 173.4 15.8 -56.2 11.6 30 30 A K E -C 35 0A 121 5,-0.2 2,-0.6 -3,-0.1 5,-0.2 -0.993 9.0-163.0-132.5 134.6 17.9 -58.3 13.9 31 31 A I E > S-C 34 0A 25 3,-1.8 3,-2.0 -2,-0.4 2,-0.3 -0.992 75.9 -37.0-120.7 115.0 20.6 -56.9 16.0 32 32 A G T 3 S- 0 0 70 -2,-0.6 169,-0.0 1,-0.3 -2,-0.0 -0.505 126.5 -32.9 68.2-118.6 22.8 -59.8 17.1 33 33 A D T 3 S+ 0 0 136 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 -0.017 114.1 111.0-118.6 25.3 20.3 -62.5 17.6 34 34 A A E < - C 0 31A 1 -3,-2.0 -3,-1.8 -32,-0.0 2,-0.3 -0.877 62.7-138.0-104.0 129.2 17.5 -60.3 18.7 35 35 A Q E -aC 2 30A 59 -34,-2.2 -32,-1.6 -2,-0.5 2,-0.4 -0.736 18.5-150.6 -80.9 142.6 14.5 -59.7 16.5 36 36 A V E -a 3 0A 0 -7,-2.3 -8,-2.2 -2,-0.3 2,-0.3 -0.929 9.1-166.3-114.3 136.5 13.4 -56.1 16.5 37 37 A F E -a 4 0A 38 -34,-2.6 -32,-1.7 -2,-0.4 2,-0.4 -0.920 4.3-160.3-117.4 152.4 9.7 -55.1 16.0 38 38 A G E +a 5 0A 6 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.999 12.5 174.9-136.6 129.9 8.7 -51.6 15.2 39 39 A R E -a 6 0A 71 -34,-2.2 -32,-1.6 -2,-0.4 2,-0.6 -0.969 24.4-136.1-136.2 153.5 5.2 -50.2 15.6 40 40 A V E -a 7 0A 43 -2,-0.3 -32,-0.2 -34,-0.2 -34,-0.1 -0.933 20.1-149.9-113.7 118.3 3.7 -46.7 15.2 41 41 A L E -a 8 0A 1 -34,-3.1 -32,-1.5 -2,-0.6 7,-0.1 -0.581 19.4-114.0 -83.2 145.2 1.3 -45.6 18.0 42 42 A P - 0 0 13 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.411 23.1-123.9 -68.6 154.0 -1.7 -43.2 17.3 43 43 A V S S+ 0 0 0 -33,-0.2 50,-2.7 -2,-0.1 2,-0.4 -0.490 78.5 109.5-101.6 63.9 -1.3 -39.8 19.1 44 44 A V S > S- 0 0 10 -2,-1.1 4,-2.8 48,-0.2 5,-0.3 -0.974 71.2-127.9-137.2 117.5 -4.7 -40.3 20.8 45 45 A F T 4 S+ 0 0 3 -2,-0.4 2,-1.2 51,-0.2 51,-0.1 -0.454 98.1 23.3 -63.4 143.2 -4.9 -40.9 24.6 46 46 A G T >> S+ 0 0 29 1,-0.2 4,-2.4 -2,-0.0 3,-0.7 -0.675 121.7 54.7 99.4 -77.6 -7.0 -44.1 25.1 47 47 A K H 3> S+ 0 0 94 -2,-1.2 4,-2.8 1,-0.3 5,-0.3 0.921 106.2 53.7 -57.5 -42.4 -6.4 -45.6 21.6 48 48 A A H 3X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.3 0.819 109.3 49.5 -62.4 -27.8 -2.7 -45.4 22.2 49 49 A K H <> S+ 0 0 85 -3,-0.7 4,-2.5 -5,-0.3 -2,-0.2 0.942 110.9 48.8 -75.0 -44.8 -3.1 -47.3 25.5 50 50 A E H X S+ 0 0 106 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.964 115.3 43.6 -57.6 -56.4 -5.2 -49.9 23.8 51 51 A V H X S+ 0 0 38 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.896 112.6 52.6 -58.2 -42.7 -2.7 -50.4 21.0 52 52 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.931 111.5 46.4 -63.4 -42.1 0.3 -50.3 23.3 53 53 A E H X S+ 0 0 50 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.959 111.9 48.6 -72.4 -43.5 -1.1 -53.0 25.5 54 54 A K H X S+ 0 0 123 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.951 113.7 48.9 -54.7 -49.0 -2.2 -55.3 22.6 55 55 A T H X S+ 0 0 12 -4,-2.6 4,-2.4 1,-0.2 5,-0.4 0.918 112.4 47.4 -61.2 -40.2 1.3 -54.9 21.1 56 56 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.908 115.4 44.7 -67.1 -38.0 3.0 -55.7 24.5 57 57 A E H < S+ 0 0 70 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.912 116.7 46.3 -68.4 -48.8 0.8 -58.7 25.1 58 58 A E H < S+ 0 0 137 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.865 125.3 27.1 -63.3 -44.1 1.2 -60.0 21.5 59 59 A I H < S- 0 0 13 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.749 82.3-157.6 -92.9 -27.1 5.0 -59.6 21.1 60 60 A K < - 0 0 107 -4,-2.0 -58,-0.2 -5,-0.4 -3,-0.1 0.935 22.7-159.4 39.5 61.7 6.0 -59.9 24.9 61 61 A P - 0 0 1 0, 0.0 99,-0.2 0, 0.0 -58,-0.2 -0.295 26.4-146.0 -67.5 151.7 9.3 -58.1 24.3 62 62 A D S S+ 0 0 28 -60,-1.8 98,-1.3 1,-0.2 99,-1.2 0.741 92.9 25.8 -80.9 -32.4 12.2 -58.3 26.6 63 63 A I E -bd 3 161A 0 -61,-1.2 -59,-2.4 97,-0.2 2,-0.4 -0.991 67.6-170.3-133.5 128.7 13.1 -54.6 25.9 64 64 A A E -b 4 0A 0 97,-2.0 2,-0.4 -2,-0.4 99,-0.3 -0.983 3.3-174.0-119.2 138.3 10.7 -51.9 24.8 65 65 A I E -b 5 0A 0 -61,-2.1 -59,-2.0 -2,-0.4 2,-0.4 -0.993 7.8-160.8-132.0 118.2 12.1 -48.5 23.6 66 66 A H E -be 6 164A 0 97,-2.6 99,-2.6 -2,-0.4 2,-0.4 -0.878 8.2-163.1-106.2 142.3 9.6 -45.8 22.9 67 67 A V E + e 0 165A 0 -61,-1.2 2,-0.3 -2,-0.4 99,-0.2 -0.961 11.2 171.7-130.9 142.5 10.7 -42.9 20.8 68 68 A G E - e 0 166A 0 97,-2.3 99,-2.9 -2,-0.4 2,-0.4 -0.981 35.6-100.3-148.4 164.9 9.1 -39.5 20.3 69 69 A L E - e 0 167A 3 -2,-0.3 73,-0.1 97,-0.2 100,-0.1 -0.636 25.2-167.7 -81.8 125.8 9.7 -36.1 18.7 70 70 A A > - 0 0 5 97,-2.8 3,-2.5 -2,-0.4 99,-0.2 -0.829 21.0-142.5-117.3 85.8 10.8 -33.4 21.1 71 71 A P T 3 S+ 0 0 64 0, 0.0 3,-0.1 0, 0.0 115,-0.1 -0.245 82.0 13.4 -45.8 121.4 10.3 -30.2 19.1 72 72 A G T 3 S+ 0 0 40 113,-0.4 2,-0.2 1,-0.4 114,-0.1 0.455 90.2 129.5 93.2 -2.7 13.1 -27.7 19.8 73 73 A R < - 0 0 59 -3,-2.5 96,-0.5 94,-0.2 -1,-0.4 -0.612 46.3-154.6 -87.7 152.2 15.4 -30.1 21.6 74 74 A S + 0 0 13 -2,-0.2 2,-0.3 527,-0.1 112,-0.2 0.455 67.3 24.1-105.8 -1.9 18.9 -30.0 20.2 75 75 A A S S- 0 0 0 110,-0.1 2,-0.4 528,-0.1 56,-0.2 -0.851 96.2 -73.4-149.3 176.9 20.3 -33.5 21.1 76 76 A I E -f 131 0A 2 54,-2.4 56,-2.8 -2,-0.3 2,-0.5 -0.684 49.1-157.2 -72.8 135.2 19.0 -36.9 21.8 77 77 A S E -fG 132 166A 0 89,-2.3 89,-2.9 -2,-0.4 2,-0.7 -0.962 8.0-153.5-122.2 131.4 17.5 -37.0 25.2 78 78 A I E -fG 133 165A 1 54,-2.9 56,-2.2 -2,-0.5 2,-0.3 -0.917 24.5-129.1-100.3 118.7 17.1 -40.2 27.2 79 79 A E E -f 134 0A 0 85,-2.1 85,-0.4 -2,-0.7 56,-0.2 -0.470 22.2-173.8 -73.9 129.0 14.2 -39.9 29.7 80 80 A R + 0 0 14 54,-2.2 33,-2.6 -2,-0.3 2,-0.4 0.855 65.2 31.3 -88.6 -32.6 14.7 -40.8 33.3 81 81 A I E -H 112 0B 5 53,-0.3 2,-0.4 31,-0.3 56,-0.4 -0.970 52.5-161.8-139.5 137.9 11.2 -40.6 34.8 82 82 A A E -H 111 0B 0 29,-2.5 29,-1.9 -2,-0.4 2,-0.4 -0.937 23.1-152.2-110.7 141.8 7.7 -41.2 33.7 83 83 A V E -H 110 0B 11 -2,-0.4 2,-2.3 55,-0.3 27,-0.3 -0.912 21.5-118.2-123.4 155.4 5.0 -39.6 35.9 84 84 A N S S+ 0 0 8 25,-3.6 2,-0.3 -2,-0.4 26,-0.1 -0.324 79.3 90.1 -83.0 63.0 1.5 -40.6 36.6 85 85 A A - 0 0 7 -2,-2.3 2,-0.4 17,-0.2 -2,-0.2 -0.993 54.2-154.4-155.4 149.9 -0.2 -37.5 35.2 86 86 A I B +I 101 0C 9 15,-2.4 15,-1.4 -2,-0.3 14,-0.3 -0.996 22.8 158.8-121.0 124.9 -1.7 -36.1 32.0 87 87 A D - 0 0 27 52,-2.6 2,-0.3 -2,-0.4 12,-0.3 -0.628 25.5-163.6-144.8 78.1 -1.8 -32.3 31.6 88 88 A A - 0 0 0 10,-2.9 52,-0.1 -2,-0.2 4,-0.1 -0.551 17.7-174.9 -70.5 124.1 -2.0 -31.9 27.8 89 89 A R S S+ 0 0 141 -2,-0.3 -1,-0.2 2,-0.1 8,-0.1 0.798 80.6 36.6 -79.2 -46.4 -1.2 -28.4 26.4 90 90 A I S S- 0 0 63 8,-0.1 8,-0.3 6,-0.1 2,-0.2 -0.707 100.0-106.0 -94.3 156.5 -2.2 -29.3 22.9 91 91 A P - 0 0 53 0, 0.0 -79,-0.3 0, 0.0 6,-0.3 -0.595 36.0-109.5 -68.5 151.8 -5.1 -31.7 22.2 92 92 A D > - 0 0 3 4,-2.9 3,-2.7 -2,-0.2 -48,-0.2 -0.338 49.5 -81.6 -69.3 170.9 -4.3 -35.2 21.1 93 93 A N T 3 S+ 0 0 61 -50,-2.7 -49,-0.2 1,-0.3 -1,-0.1 0.542 130.6 55.5 -57.3 -11.2 -5.2 -36.0 17.4 94 94 A E T 3 S- 0 0 138 -51,-0.3 -1,-0.3 2,-0.2 -50,-0.1 0.516 121.9-103.0 -92.8 -11.8 -8.9 -36.7 18.2 95 95 A G S < S+ 0 0 56 -3,-2.7 2,-0.5 1,-0.3 -2,-0.1 0.477 77.2 131.4 106.1 2.7 -9.3 -33.2 19.8 96 96 A K - 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