==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(C-TERMINAL PEPTIDASE) 18-NOV-91 1PBA . COMPND 2 MOLECULE: PROCARBOXYPEPTIDASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR J.VENDRELL,G.WIDER,M.BILLETER,F.X.AVILES,K.WUTHRICH . 81 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 54.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 8.6 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 . 0 0.0 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 . 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 . 5 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 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 . 0 1 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 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 H 0 0 247 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.6 16.5 2.6 -15.9 2 2 A H - 0 0 121 3,-0.1 2,-0.3 0, 0.0 3,-0.1 -0.478 360.0-138.9-111.0-179.7 14.6 5.7 -14.9 3 3 A S S S+ 0 0 55 -2,-0.2 59,-0.2 1,-0.1 3,-0.0 -0.722 85.8 18.6-144.6 90.9 11.1 6.2 -13.6 4 4 A G S S+ 0 0 34 -2,-0.3 -1,-0.1 57,-0.1 5,-0.0 0.723 71.8 140.2 114.6 49.4 9.1 9.1 -15.0 5 5 A E S S- 0 0 84 -3,-0.1 3,-0.1 3,-0.1 -3,-0.1 -0.393 96.0 -35.2-118.1 51.8 11.0 9.9 -18.2 6 6 A H S S+ 0 0 187 1,-0.4 2,-0.3 -2,-0.0 -1,-0.0 0.620 116.6 111.4 101.6 26.4 8.0 10.7 -20.4 7 7 A F - 0 0 126 1,-0.1 -1,-0.4 52,-0.0 52,-0.2 -0.824 55.7-142.2-122.3 163.8 5.7 8.1 -18.8 8 8 A E - 0 0 100 -2,-0.3 51,-0.1 50,-0.1 -1,-0.1 0.019 35.6 -97.4-103.1-147.3 2.6 8.5 -16.6 9 9 A G + 0 0 0 47,-0.2 48,-0.2 49,-0.1 49,-0.1 0.742 53.3 165.7-102.9 -36.3 1.6 6.4 -13.6 10 10 A E + 0 0 82 46,-0.3 2,-0.3 1,-0.1 46,-0.1 0.641 37.8 103.5 20.5 55.2 -0.8 4.2 -15.7 11 11 A K - 0 0 53 46,-0.1 2,-0.3 66,-0.0 46,-0.1 -0.967 66.3-136.8-152.9 162.4 -1.1 1.4 -13.0 12 12 A V - 0 0 37 -2,-0.3 2,-1.3 44,-0.1 44,-0.2 -0.635 22.5-160.5-121.2 66.4 -3.5 0.2 -10.3 13 13 A F - 0 0 10 42,-0.6 41,-0.3 -2,-0.3 64,-0.2 -0.287 19.0-178.2 -50.5 86.3 -1.2 -0.5 -7.3 14 14 A R E -A 76 0A 58 62,-3.1 62,-2.4 -2,-1.3 2,-0.4 -0.533 14.6-138.4 -85.0 159.7 -3.5 -2.9 -5.5 15 15 A V E -AB 75 52A 3 37,-3.0 37,-1.7 60,-0.3 2,-0.3 -0.940 17.0-171.0-125.1 146.9 -2.4 -4.3 -2.0 16 16 A N E - B 0 51A 60 58,-2.9 35,-0.2 -2,-0.4 2,-0.2 -0.772 13.4-162.8-134.1 87.7 -2.6 -7.8 -0.5 17 17 A V E - B 0 50A 4 33,-1.3 33,-1.4 -2,-0.3 3,-0.1 -0.497 7.6-171.7 -74.3 140.5 -1.7 -7.8 3.2 18 18 A E - 0 0 117 1,-0.3 31,-2.3 31,-0.2 2,-0.2 0.867 61.5 -35.4 -96.5 -52.6 -0.9 -11.3 4.6 19 19 A D S > S- 0 0 77 29,-0.3 4,-1.6 28,-0.1 -1,-0.3 -0.701 85.9 -56.0-148.1-156.1 -0.5 -10.5 8.3 20 20 A E H > S+ 0 0 76 -2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.847 122.6 66.2 -65.5 -34.9 0.7 -7.9 10.6 21 21 A N H > S+ 0 0 115 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.970 103.7 43.5 -48.6 -64.8 4.2 -7.9 9.1 22 22 A D H >> S+ 0 0 8 1,-0.2 4,-1.7 2,-0.2 3,-1.5 0.922 115.1 50.9 -47.8 -49.7 3.0 -6.5 5.7 23 23 A I H 3X S+ 0 0 8 -4,-1.6 4,-3.3 1,-0.3 5,-0.3 0.968 99.5 63.3 -52.1 -60.6 0.8 -3.9 7.5 24 24 A S H 3< S+ 0 0 83 -4,-3.1 4,-0.3 1,-0.2 -1,-0.3 0.646 110.4 40.6 -40.9 -22.4 3.6 -2.7 9.7 25 25 A E H XX S+ 0 0 56 -3,-1.5 3,-1.4 -4,-0.7 4,-0.9 0.905 116.7 42.5 -94.0 -61.7 5.4 -1.5 6.6 26 26 A L H 3X S+ 0 0 7 -4,-1.7 4,-1.1 1,-0.3 -2,-0.2 0.853 106.4 67.0 -50.5 -40.1 2.6 -0.0 4.4 27 27 A H H 3X S+ 0 0 71 -4,-3.3 4,-0.6 -5,-0.3 3,-0.4 0.878 93.5 59.5 -49.4 -43.8 1.2 1.6 7.6 28 28 A E H X> S+ 0 0 121 -3,-1.4 3,-2.0 -5,-0.3 4,-0.5 0.959 94.6 60.8 -51.2 -62.1 4.4 3.8 7.8 29 29 A L H >< S+ 0 0 20 -4,-0.9 3,-2.4 1,-0.3 -1,-0.2 0.839 89.2 74.2 -33.5 -47.8 3.8 5.5 4.4 30 30 A A H >< S+ 0 0 29 -4,-1.1 3,-2.6 -3,-0.4 -1,-0.3 0.852 86.3 62.4 -34.9 -54.9 0.5 6.8 5.8 31 31 A S H << S+ 0 0 90 -3,-2.0 -1,-0.3 -4,-0.6 -2,-0.2 0.852 126.8 14.8 -39.0 -47.3 2.5 9.3 7.9 32 32 A T T << S- 0 0 109 -3,-2.4 2,-0.6 -4,-0.5 -1,-0.3 -0.381 90.0-175.6-126.8 49.1 3.7 10.8 4.6 33 33 A R < + 0 0 111 -3,-2.6 -3,-0.1 1,-0.2 -4,-0.1 -0.288 16.4 174.6 -52.8 100.4 1.1 9.1 2.3 34 34 A Q S S+ 0 0 72 -2,-0.6 -1,-0.2 26,-0.1 2,-0.2 0.747 73.7 58.1 -76.8 -18.5 2.2 10.1 -1.2 35 35 A I S S- 0 0 8 -3,-0.1 2,-0.3 25,-0.0 19,-0.0 -0.521 74.2-147.3-104.2 169.0 -0.6 7.7 -2.2 36 36 A D - 0 0 44 -2,-0.2 2,-0.1 19,-0.1 -2,-0.0 -0.972 21.6-120.8-134.5 150.0 -4.3 7.6 -1.3 37 37 A F - 0 0 41 -2,-0.3 17,-0.2 1,-0.1 4,-0.0 -0.473 19.8-171.5 -94.5 162.1 -6.4 4.5 -0.9 38 38 A W + 0 0 143 15,-3.0 3,-0.4 1,-0.4 16,-0.2 0.615 63.3 30.3-113.8 -88.3 -9.5 3.4 -2.9 39 39 A K S S- 0 0 88 1,-0.2 14,-3.2 14,-0.1 -1,-0.4 -0.899 122.3 -27.4-116.0 146.8 -11.5 0.4 -1.7 40 40 A P S S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 0.514 83.8 119.6 -95.9 135.4 -11.4 -0.2 1.4 41 41 A D + 0 0 28 -3,-0.4 4,-0.2 5,-0.1 -2,-0.0 0.617 16.1 168.1-119.5 -96.1 -8.5 0.9 3.6 42 42 A S > - 0 0 81 2,-0.1 3,-2.7 1,-0.1 4,-0.2 0.887 42.9-144.7 69.4 38.4 -8.6 3.3 6.6 43 43 A V G > S+ 0 0 26 1,-0.3 3,-3.0 2,-0.2 -16,-0.1 0.450 88.5 73.0 -1.2 -54.5 -5.0 2.0 7.2 44 44 A T G 3 S+ 0 0 108 1,-0.3 -1,-0.3 -17,-0.1 -2,-0.1 0.814 105.9 38.9 -45.2 -33.0 -5.4 2.2 11.0 45 45 A Q G < S+ 0 0 155 -3,-2.7 -1,-0.3 -4,-0.2 -2,-0.2 0.240 82.2 132.1-105.3 15.7 -7.7 -0.9 10.8 46 46 A I < + 0 0 16 -3,-3.0 -5,-0.1 -4,-0.2 -4,-0.0 -0.421 32.7 177.5 -68.2 140.9 -5.9 -2.9 8.1 47 47 A K - 0 0 97 1,-0.3 3,-0.2 -2,-0.1 -30,-0.2 -0.849 31.4 -51.6-139.0 172.6 -5.5 -6.6 9.1 48 48 A P S S+ 0 0 35 0, 0.0 -29,-0.3 0, 0.0 -1,-0.3 0.314 110.1 10.3 -41.7 169.8 -4.1 -9.9 7.6 49 49 A H S S+ 0 0 160 -31,-2.3 2,-0.3 -33,-0.1 -31,-0.2 0.752 91.7 149.7 19.7 59.4 -5.0 -11.5 4.3 50 50 A S E -B 17 0A 33 -33,-1.4 -33,-1.3 -3,-0.2 2,-0.5 -0.847 38.0-149.9-116.4 154.4 -6.8 -8.4 3.2 51 51 A T E +B 16 0A 92 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.2 -0.957 27.1 152.1-128.4 114.6 -7.3 -7.0 -0.3 52 52 A V E -B 15 0A 11 -37,-1.7 -37,-3.0 -2,-0.5 2,-0.3 -0.893 28.7-133.6-133.5 165.8 -7.7 -3.2 -1.0 53 53 A D - 0 0 17 -14,-3.2 -15,-3.0 -2,-0.3 -39,-0.2 -0.801 11.9-169.3-123.5 164.8 -6.8 -0.9 -4.0 54 54 A F - 0 0 2 -41,-0.3 2,-0.2 -2,-0.3 -1,-0.1 0.709 32.5-119.0-111.5 -87.4 -5.0 2.5 -4.7 55 55 A R - 0 0 75 -42,-0.1 2,-1.2 2,-0.1 -42,-0.6 -0.832 32.6 -69.6 155.8 172.8 -5.3 4.1 -8.2 56 56 A V + 0 0 72 -2,-0.2 2,-0.3 -44,-0.2 -46,-0.3 -0.684 62.3 154.6 -93.5 82.5 -3.2 5.3 -11.2 57 57 A K - 0 0 62 -2,-1.2 2,-0.2 -48,-0.2 -46,-0.1 -0.800 19.8-169.4-103.5 157.1 -1.3 8.3 -9.8 58 58 A A + 0 0 14 -2,-0.3 2,-2.5 -49,-0.1 -49,-0.1 -0.571 48.7 52.5-132.2-167.4 2.0 9.4 -11.4 59 59 A E S S+ 0 0 145 1,-0.2 3,-0.4 -52,-0.2 -56,-0.0 -0.398 116.0 42.7 73.4 -61.0 5.1 11.6 -11.1 60 60 A D S >> S+ 0 0 51 -2,-2.5 3,-1.2 1,-0.2 4,-1.0 0.450 81.6 110.6 -94.6 4.8 6.0 10.6 -7.5 61 61 A I H >>> + 0 0 12 1,-0.2 4,-2.9 2,-0.2 3,-1.0 0.867 59.5 74.6 -43.2 -54.4 5.3 7.0 -8.3 62 62 A L H 3>5S+ 0 0 95 -3,-0.4 4,-2.9 1,-0.3 5,-0.3 0.814 99.7 43.5 -29.0 -55.6 9.0 6.0 -8.0 63 63 A A H <>5S+ 0 0 41 -3,-1.2 4,-3.0 2,-0.2 -1,-0.3 0.909 119.7 43.1 -65.4 -38.0 8.9 6.3 -4.2 64 64 A V H XS+ 0 0 0 -4,-1.2 5,-0.8 -3,-0.3 7,-0.3 0.615 120.6 37.1-101.3 -16.1 6.4 -1.4 -2.8 69 69 A E H X<5S+ 0 0 105 -4,-1.3 3,-1.0 -3,-1.3 -3,-0.2 0.884 100.6 63.8-101.9 -57.2 9.0 -3.3 -4.9 70 70 A Q T 3<5S+ 0 0 131 -4,-1.4 -3,-0.1 1,-0.3 -4,-0.1 0.745 125.9 23.5 -38.1 -30.4 12.4 -3.3 -3.0 71 71 A N T 3 5S- 0 0 56 -5,-0.5 -1,-0.3 -4,-0.1 3,-0.2 0.483 105.4-125.2-113.2 -12.9 10.5 -5.4 -0.3 72 72 A E T < 5 - 0 0 137 -3,-1.0 2,-2.1 -6,-0.3 -3,-0.2 0.941 28.5-162.5 62.7 47.2 7.8 -6.8 -2.6 73 73 A L < - 0 0 6 -5,-0.8 -1,-0.2 1,-0.2 -57,-0.1 -0.463 46.9 -91.3 -66.2 81.7 5.2 -5.4 -0.2 74 74 A Q S S+ 0 0 72 -2,-2.1 -58,-2.9 -3,-0.2 2,-0.3 0.468 74.1 157.1 5.0 66.5 2.4 -7.6 -1.7 75 75 A Y E -A 15 0A 76 -7,-0.3 2,-0.4 -60,-0.2 -60,-0.3 -0.829 26.2-154.3-108.0 148.6 1.2 -5.1 -4.3 76 76 A E E -A 14 0A 72 -62,-2.4 -62,-3.1 -2,-0.3 2,-0.4 -0.976 8.7-171.8-127.5 137.8 -0.7 -6.2 -7.4 77 77 A V - 0 0 35 -2,-0.4 3,-0.1 -64,-0.2 -64,-0.1 -0.972 16.3-157.8-126.3 142.6 -0.9 -4.5 -10.8 78 78 A L S S+ 0 0 111 -2,-0.4 -65,-0.0 1,-0.2 -67,-0.0 -0.151 80.2 76.5-110.9 36.9 -3.2 -5.6 -13.7 79 79 A I + 0 0 100 -67,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.514 63.9 95.4-142.0 64.1 -1.1 -3.9 -16.4 80 80 A N 0 0 128 -3,-0.1 -2,-0.1 -2,-0.0 0, 0.0 0.683 360.0 360.0-118.2 -66.1 1.9 -6.1 -16.9 81 81 A N 0 0 207 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.393 360.0 360.0-150.5 360.0 1.5 -8.5 -19.9