==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 01-FEB-96 1FON . COMPND 2 MOLECULE: PROCARBOXYPEPTIDASE A-S6; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.C.PIGNOL,T.GABORIAUD,B.MICHON,B.KERFELEC,C.CHAPUS, . 464 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 149 32.1 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 39 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 4 7 4 1 1 1 2 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 0 2 2 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 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 9 A S 0 0 121 0, 0.0 51,-3.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 119.6 29.9 0.5 38.8 2 10 A W E +A 51 0A 79 98,-0.3 100,-0.3 49,-0.2 2,-0.3 -0.892 360.0 170.2-102.6 144.4 30.7 4.1 40.0 3 11 A S E -A 50 0A 33 47,-2.2 47,-2.5 -2,-0.4 2,-0.5 -0.935 32.1-127.0-142.2 161.2 33.1 6.5 38.2 4 12 A W E -A 49 0A 23 -2,-0.3 20,-0.4 45,-0.2 2,-0.4 -0.951 29.6-157.0-107.1 125.6 34.1 10.1 38.3 5 13 A Q E -A 48 0A 12 43,-2.9 43,-1.7 -2,-0.5 2,-0.4 -0.879 3.1-147.5-107.0 150.1 33.8 11.8 34.9 6 14 A V E -A 47 0A 1 16,-0.5 2,-0.4 -2,-0.4 16,-0.3 -0.933 14.3-174.7-119.8 137.8 35.7 14.8 33.8 7 15 A S E -A 46 0A 0 39,-2.6 39,-3.1 -2,-0.4 2,-0.5 -0.991 12.7-157.3-126.8 122.2 34.8 17.7 31.5 8 16 A L E -AB 45 20A 3 12,-3.1 11,-2.9 -2,-0.4 12,-1.4 -0.868 20.6-174.5 -96.1 127.6 37.6 20.2 30.8 9 17 A Q E -AB 44 18A 4 35,-3.2 35,-1.9 -2,-0.5 2,-0.3 -0.895 15.9-154.1-130.3 148.1 36.1 23.5 29.7 10 18 A Y E -AB 43 17A 4 7,-1.9 7,-2.6 -2,-0.3 2,-0.4 -0.921 23.1-115.4-119.3 152.1 37.4 26.8 28.5 11 19 A E E + B 0 16A 80 31,-2.2 31,-0.4 -2,-0.3 2,-0.3 -0.659 41.2 151.5 -89.1 130.3 35.9 30.3 28.7 12 20 A K E > + B 0 15A 82 3,-3.1 3,-1.0 -2,-0.4 -2,-0.0 -0.934 68.2 4.4-149.2 140.8 34.8 32.2 25.6 13 21 A D T 3 S- 0 0 136 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.828 130.6 -55.3 57.7 39.7 32.1 34.8 25.2 14 22 A G T 3 S+ 0 0 69 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.895 122.0 89.1 62.5 33.8 31.2 34.8 28.9 15 23 A A E < S-B 12 0A 44 -3,-1.0 -3,-3.1 -5,-0.0 2,-0.4 -0.938 72.1-122.4-156.7 151.4 30.6 31.1 28.9 16 24 A F E -B 11 0A 48 -2,-0.3 2,-0.4 -5,-0.3 115,-0.3 -0.758 25.7-160.3 -91.4 139.0 32.6 27.8 29.5 17 25 A H E -B 10 0A 32 -7,-2.6 -7,-1.9 -2,-0.4 113,-0.3 -0.947 22.6-114.0-126.8 129.7 32.6 25.2 26.7 18 26 A H E +B 9 0A 5 111,-1.8 -9,-0.2 -2,-0.4 3,-0.1 -0.417 40.9 162.2 -58.0 135.2 33.4 21.5 27.0 19 27 A T E - 0 0 19 -11,-2.9 2,-0.3 1,-0.4 160,-0.2 0.649 56.7 -1.1-125.3 -31.1 36.6 20.7 25.1 20 28 A a E -B 8 0A 0 -12,-1.4 -12,-3.1 160,-0.1 -1,-0.4 -0.985 52.6-129.9-157.1 156.2 37.8 17.3 26.4 21 29 A G + 0 0 5 158,-2.7 12,-0.3 -2,-0.3 2,-0.3 -0.190 32.4 174.4 -83.7-155.1 37.3 14.5 28.8 22 30 A G - 0 0 4 -16,-0.3 -16,-0.5 10,-0.1 2,-0.5 -0.956 32.1 -93.0 161.3 174.9 40.0 13.3 31.0 23 31 A S E -E 31 0B 7 8,-2.0 8,-2.7 -2,-0.3 2,-0.8 -0.993 23.1-140.5-131.3 115.5 40.8 10.9 33.8 24 32 A L E +E 30 0B 5 -2,-0.5 80,-0.6 -20,-0.4 6,-0.2 -0.809 32.7 162.4 -75.0 109.6 40.7 11.8 37.4 25 33 A I E + 0 0 26 4,-2.3 -1,-0.2 -2,-0.8 5,-0.2 0.739 66.6 18.0-104.7 -24.5 43.6 10.0 38.9 26 34 A A E > S-E 29 0B 26 3,-1.5 3,-1.2 -3,-0.2 -1,-0.3 -0.925 90.0-100.0-139.4 160.3 44.0 11.9 42.1 27 35 A P T 3 S+ 0 0 58 0, 0.0 68,-3.0 0, 0.0 66,-0.1 0.701 126.3 24.8 -62.5 -18.6 41.6 14.2 43.9 28 36 A D T 3 S+ 0 0 42 66,-0.2 63,-3.2 1,-0.1 2,-0.5 0.362 111.0 80.1-127.1 19.7 43.4 17.1 42.4 29 37 A W E < -EF 26 90B 9 -3,-1.2 -4,-2.3 61,-0.2 -3,-1.5 -0.954 48.6-173.9-124.6 132.6 45.0 15.7 39.3 30 38 A V E -EF 24 89B 3 59,-2.9 59,-2.6 -2,-0.5 2,-0.5 -0.949 12.4-152.1-117.5 132.8 43.5 15.0 35.9 31 39 A V E +EF 23 88B 0 -8,-2.7 -8,-2.0 -2,-0.4 57,-0.2 -0.955 35.2 144.8 -96.7 126.1 45.3 13.3 33.0 32 40 A T E - F 0 87B 0 55,-1.9 55,-2.0 -2,-0.5 2,-0.3 -0.693 51.7 -64.4-142.4-171.7 44.0 14.4 29.6 33 41 A A > - 0 0 0 -12,-0.3 3,-2.0 53,-0.2 4,-0.3 -0.656 33.1-133.7 -83.8 141.8 45.3 15.0 26.0 34 42 A G G > S+ 0 0 0 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.849 104.6 68.2 -58.0 -33.2 47.8 17.7 25.4 35 43 A H G 3 S+ 0 0 36 1,-0.3 -1,-0.3 41,-0.1 50,-0.0 0.666 88.5 69.4 -64.4 -8.6 45.8 18.9 22.4 36 44 A a G < S+ 0 0 4 -3,-2.0 2,-0.4 1,-0.1 -1,-0.3 0.763 90.6 75.4 -82.1 -15.7 43.1 19.9 24.9 37 45 A I < + 0 0 20 -3,-1.8 2,-0.4 -4,-0.3 -1,-0.1 -0.782 35.5 165.0-116.3 127.5 45.1 22.8 26.4 38 46 A S > - 0 0 38 -2,-0.4 3,-1.5 3,-0.0 -3,-0.0 -0.984 31.6-146.6-120.4 120.6 46.1 26.4 25.3 39 47 A T T 3 S+ 0 0 82 -2,-0.4 4,-0.1 1,-0.3 30,-0.1 0.526 93.2 70.2 -71.2 1.0 47.4 28.0 28.5 40 48 A S T 3 S+ 0 0 117 2,-0.1 -1,-0.3 26,-0.1 2,-0.1 0.767 85.8 77.0 -80.9 -33.2 45.9 31.3 27.2 41 49 A R S < S- 0 0 94 -3,-1.5 2,-0.5 1,-0.1 -29,-0.1 -0.410 89.8-113.7 -79.2 151.1 42.3 30.2 27.6 42 50 A T - 0 0 80 -31,-0.4 -31,-2.2 -2,-0.1 2,-0.3 -0.840 39.5-161.0 -84.5 127.9 40.7 30.2 31.1 43 51 A Y E +AC 10 64A 5 21,-0.6 21,-1.7 -2,-0.5 2,-0.3 -0.758 18.5 177.4-113.0 151.2 39.9 26.6 32.1 44 52 A Q E -AC 9 63A 30 -35,-1.9 -35,-3.2 -2,-0.3 2,-0.4 -0.955 21.9-135.4-140.1 154.6 37.7 25.0 34.6 45 53 A V E -AC 8 62A 1 17,-3.0 17,-2.9 -2,-0.3 2,-0.5 -0.925 11.8-159.9-109.2 129.1 37.0 21.3 35.3 46 54 A V E -AC 7 61A 2 -39,-3.1 -39,-2.6 -2,-0.4 2,-0.3 -0.975 11.6-167.8-108.9 128.1 33.5 20.0 35.8 47 55 A L E +AC 6 60A 0 13,-2.8 13,-2.0 -2,-0.5 2,-0.3 -0.877 8.1 178.9-113.2 151.2 33.2 16.6 37.6 48 56 A G E -A 5 0A 0 -43,-1.7 -43,-2.9 -2,-0.3 2,-0.4 -0.988 21.5-135.1-155.4 135.2 30.2 14.4 38.0 49 57 A E E -AC 4 56A 28 7,-0.6 7,-2.8 -2,-0.3 2,-0.4 -0.827 21.8-163.6 -98.1 138.9 29.8 11.0 39.7 50 58 A Y E -AC 3 55A 0 -47,-2.5 -47,-2.2 -2,-0.4 2,-0.6 -0.974 17.1-156.8-127.5 135.4 28.0 8.3 37.9 51 59 A D E > S-AC 2 54A 48 3,-3.0 3,-2.4 -2,-0.4 2,-0.3 -0.967 83.8 -36.3-107.8 116.6 26.5 5.1 39.1 52 60 A R T 3 S- 0 0 54 -51,-3.6 -49,-0.2 -2,-0.6 -2,-0.1 -0.523 127.3 -33.8 63.5-120.7 26.4 2.9 36.1 53 61 A S T 3 S+ 0 0 42 -2,-0.3 84,-1.7 -3,-0.1 2,-0.5 0.072 119.0 106.0-111.5 19.6 25.5 5.4 33.4 54 62 A V E < S-CD 51 136A 66 -3,-2.4 -3,-3.0 82,-0.2 2,-0.3 -0.903 71.1-124.7-110.7 128.8 23.4 7.5 35.8 55 63 A L E -C 50 0A 25 80,-2.3 2,-0.4 -2,-0.5 -5,-0.2 -0.540 27.8-163.3 -70.6 131.0 24.5 10.9 37.2 56 64 A E E -C 49 0A 69 -7,-2.8 -7,-0.6 -2,-0.3 2,-0.1 -0.977 49.8 -20.9-119.6 130.9 24.3 10.9 41.1 57 65 A G E S- 0 0 68 -2,-0.4 2,-0.3 -9,-0.1 -2,-0.0 -0.439 101.0 -35.2 74.5-152.5 24.3 14.1 43.2 58 66 A S E - 0 0 102 -2,-0.1 -9,-0.2 1,-0.1 -2,-0.1 -0.731 55.1-109.5-113.4 151.4 25.7 17.4 41.9 59 67 A E E - 0 0 69 -2,-0.3 2,-0.4 -11,-0.1 -11,-0.2 -0.351 28.9-138.4 -68.4 149.7 28.5 18.3 39.5 60 68 A Q E -C 47 0A 41 -13,-2.0 -13,-2.8 -2,-0.1 2,-0.5 -0.964 11.6-155.5-114.0 137.7 31.5 20.1 41.1 61 69 A V E -C 46 0A 52 -2,-0.4 -15,-0.2 -15,-0.2 -2,-0.0 -0.987 13.0-177.0-119.3 123.2 33.0 23.0 39.2 62 70 A I E -C 45 0A 0 -17,-2.9 -17,-3.0 -2,-0.5 33,-0.0 -0.976 18.5-137.1-130.8 115.6 36.7 23.8 39.8 63 71 A P E -C 44 0A 70 0, 0.0 29,-1.4 0, 0.0 2,-0.4 -0.285 18.0-141.3 -68.3 154.4 38.6 26.7 38.3 64 72 A I E -C 43 0A 13 -21,-1.7 -21,-0.6 27,-0.2 2,-0.3 -0.996 6.8-134.2-124.0 128.1 42.2 26.1 37.1 65 73 A N > - 0 0 94 -2,-0.4 3,-2.4 25,-0.3 25,-0.2 -0.593 32.2-107.8 -75.9 138.0 45.2 28.5 37.4 66 74 A A T 3 S+ 0 0 79 1,-0.3 -1,-0.1 -2,-0.3 -26,-0.1 -0.472 114.4 38.7 -59.4 132.7 47.3 29.0 34.3 67 75 A G T 3 S+ 0 0 49 2,-0.1 -1,-0.3 -2,-0.1 -2,-0.0 0.370 93.0 83.9 97.7 -13.6 50.5 27.1 35.2 68 76 A D S < S+ 0 0 28 -3,-2.4 22,-2.7 22,-0.1 2,-0.6 0.242 75.3 92.3 -92.3 7.2 48.5 24.4 36.9 69 77 A L E -G 89 0B 14 20,-0.2 2,-0.7 -4,-0.2 20,-0.2 -0.897 61.7-169.0-100.6 118.6 48.3 23.1 33.3 70 78 A F E -G 88 0B 32 18,-3.1 18,-2.1 -2,-0.6 2,-0.4 -0.851 3.9-174.8-113.2 88.6 51.2 20.7 32.5 71 79 A V E -G 87 0B 46 -2,-0.7 16,-0.2 16,-0.2 14,-0.1 -0.732 41.0 -97.4 -79.3 136.0 51.4 20.0 28.8 72 80 A H > - 0 0 22 14,-2.4 3,-1.2 -2,-0.4 -1,-0.1 -0.187 31.1-128.2 -55.2 137.8 54.0 17.3 27.8 73 81 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.826 107.6 48.9 -68.4 -22.5 57.1 19.2 26.7 74 82 A L T 3 S+ 0 0 113 10,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.494 81.4 119.2 -91.9 -2.4 57.3 17.2 23.5 75 83 A W < + 0 0 34 -3,-1.2 2,-0.4 11,-0.2 9,-0.1 -0.448 37.0 177.6 -65.8 131.9 53.6 17.7 22.5 76 84 A N > - 0 0 75 7,-0.5 3,-2.3 3,-0.3 6,-0.2 -0.926 22.1-157.8-140.1 110.3 53.3 19.6 19.2 77 85 A S T 3 S+ 0 0 67 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.669 92.4 65.5 -67.9 -10.5 49.8 20.2 17.9 78 86 A N T 3 S+ 0 0 150 1,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.520 108.0 40.9 -87.0 -2.9 51.2 20.5 14.4 79 87 A b X + 0 0 37 -3,-2.3 3,-1.2 4,-0.1 -3,-0.3 -0.673 59.0 166.2-143.1 81.9 52.3 16.9 14.5 80 88 A V G > S+ 0 0 23 -3,-0.3 3,-1.7 1,-0.3 5,-0.2 0.877 81.0 59.4 -66.7 -32.3 49.7 14.6 16.1 81 89 A A G 3 S+ 0 0 39 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.557 88.2 73.9 -76.8 -5.5 51.5 11.6 14.7 82 90 A b G < S- 0 0 50 -3,-1.2 -1,-0.3 -6,-0.2 -2,-0.2 0.691 95.3-151.0 -75.5 -9.1 54.6 12.6 16.6 83 91 A G < + 0 0 1 -3,-1.7 -7,-0.5 -4,-0.3 -1,-0.2 -0.462 60.7 117.7 72.9-158.2 52.7 11.4 19.7 84 92 A N + 0 0 26 79,-0.2 2,-2.0 1,-0.2 -12,-0.2 0.761 35.7 155.2 67.6 20.7 53.3 12.9 23.2 85 93 A D + 0 0 0 -5,-0.2 2,-0.3 -10,-0.1 131,-0.2 -0.595 31.6 114.0 -81.9 77.2 49.6 14.0 23.3 86 94 A I + 0 0 0 -2,-2.0 -14,-2.4 -53,-0.3 2,-0.3 -0.981 35.7 172.1-153.8 145.2 49.3 14.0 27.0 87 95 A A E -FG 32 71B 0 -55,-2.0 -55,-1.9 -2,-0.3 2,-0.4 -0.967 21.2-140.0-152.9 153.2 48.8 16.6 29.8 88 96 A L E -FG 31 70B 0 -18,-2.1 -18,-3.1 -2,-0.3 2,-0.5 -0.957 13.1-159.9-114.7 143.4 48.2 16.8 33.5 89 97 A V E -FG 30 69B 0 -59,-2.6 -59,-2.9 -2,-0.4 2,-0.6 -0.998 7.0-151.5-125.3 115.8 45.8 19.4 35.0 90 98 A K E -F 29 0B 55 -22,-2.7 -25,-0.3 -2,-0.5 -61,-0.2 -0.907 20.2-130.5 -87.5 125.1 46.2 20.2 38.7 91 99 A L - 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