==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JAN-12 3VCM . COMPND 2 MOLECULE: PRORENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.MORALES,Y.WATIER,Z.BOCSKEI . 723 10 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 480 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 199 27.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 0.1 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 . 85 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 3 0 3 1 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 3 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 . 2 13 4 5 7 8 1 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 . 1 2 1 1 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 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 -5 A L 0 0 1 0, 0.0 10,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.7 -48.5 0.6 10.8 2 -4 A T + 0 0 41 80,-2.1 80,-0.2 704,-0.5 8,-0.1 -0.767 360.0 111.3 -89.3 134.6 -50.2 2.9 8.2 3 -3 A L > - 0 0 72 -2,-0.4 3,-0.9 78,-0.1 7,-0.2 0.222 43.3-167.4 170.7 31.0 -53.6 4.3 9.2 4 -2 A G T 3 + 0 0 27 1,-0.2 5,-0.3 5,-0.1 303,-0.2 0.315 67.2 76.6 12.0 -87.0 -53.0 8.1 9.7 5 -1 A N T 3 S+ 0 0 167 4,-0.1 -1,-0.2 301,-0.1 2,-0.1 0.477 91.5 44.9 -4.6 -73.5 -56.4 9.1 11.4 6 0 A T S X> S- 0 0 69 -3,-0.9 3,-1.2 1,-0.1 4,-0.5 -0.467 71.5-126.1 -98.2 161.6 -55.9 7.8 15.0 7 1 A T T 34 S+ 0 0 50 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.776 115.3 49.3 -65.5 -33.0 -53.2 7.7 17.8 8 2 A S T 34 S+ 0 0 28 1,-0.2 -1,-0.3 129,-0.1 3,-0.1 0.109 107.1 58.8 -95.0 19.6 -53.5 3.9 18.0 9 3 A S T <4 S+ 0 0 20 -3,-1.2 2,-0.6 -5,-0.3 -2,-0.2 0.482 93.1 63.2-121.7 -17.0 -53.2 3.6 14.2 10 4 A V < + 0 0 0 -4,-0.5 2,-0.4 -3,-0.3 -1,-0.2 -0.849 68.9 154.0-115.3 85.4 -49.7 5.2 13.6 11 5 A I - 0 0 1 -2,-0.6 2,-0.9 -10,-0.6 30,-0.1 -0.980 47.7-127.0-120.4 129.6 -47.3 2.9 15.5 12 6 A L + 0 0 5 -2,-0.4 694,-0.2 28,-0.3 213,-0.1 -0.659 34.0 172.1 -72.8 104.8 -43.6 2.5 14.7 13 7 A T + 0 0 2 -2,-0.9 693,-0.2 692,-0.8 -1,-0.1 -0.425 17.0 152.2-112.6 50.6 -43.5 -1.4 14.4 14 8 A N + 0 0 5 1,-0.1 -1,-0.1 2,-0.0 212,-0.1 0.942 11.1 148.9 -47.0 -92.7 -39.8 -1.5 13.2 15 9 A Y + 0 0 5 210,-0.4 667,-0.8 2,-0.3 3,-0.3 0.336 41.5 111.3 66.1 -2.8 -38.1 -4.9 14.1 16 10 A M S S+ 0 0 23 1,-0.3 667,-2.6 666,-0.1 2,-0.5 0.913 92.5 27.6 -60.6 -43.2 -35.9 -4.8 10.9 17 11 A D S S+ 0 0 15 665,-0.2 -2,-0.3 664,-0.2 -1,-0.3 -0.984 84.8 132.4-123.7 103.7 -33.0 -4.1 13.3 18 12 A T + 0 0 9 -2,-0.5 664,-0.1 -3,-0.3 209,-0.1 -0.786 21.8 174.5-156.9 109.3 -33.7 -5.7 16.7 19 13 A Q + 0 0 26 -2,-0.2 660,-3.1 662,-0.1 2,-0.4 0.432 60.0 72.9 -99.1 -2.6 -31.0 -7.8 18.3 20 14 A Y E +A 678 0A 21 658,-0.2 17,-0.3 205,-0.1 2,-0.3 -0.962 50.4 174.7-128.8 130.2 -32.8 -8.4 21.7 21 15 A Y E -A 677 0A 29 656,-2.3 656,-2.5 -2,-0.4 2,-0.2 -0.834 11.7-155.6-121.0 161.0 -35.8 -10.6 22.8 22 16 A G E -G 35 0B 0 13,-3.0 13,-3.3 -2,-0.3 2,-0.4 -0.769 20.1-116.0-126.1 170.2 -37.5 -11.4 26.1 23 17 A E E -G 34 0B 69 -2,-0.2 77,-0.5 652,-0.2 2,-0.3 -0.944 25.2-179.6-122.1 136.9 -39.6 -14.4 27.2 24 18 A I E -G 33 0B 2 9,-1.6 9,-1.5 -2,-0.4 2,-0.5 -0.884 18.4-141.4-124.6 156.2 -43.2 -14.6 28.3 25 19 A G E -GH 32 98B 7 73,-1.1 73,-1.8 -2,-0.3 2,-0.5 -0.972 17.1-169.1-124.2 113.8 -45.4 -17.5 29.5 26 20 A I E > -GH 31 97B 0 5,-2.4 5,-1.7 -2,-0.5 71,-0.2 -0.906 46.0 -5.2-108.3 128.4 -49.1 -17.6 28.4 27 21 A G T 5S- 0 0 3 69,-2.2 42,-0.1 -2,-0.5 68,-0.1 -0.263 91.5 -41.0 95.0-178.0 -51.7 -20.0 29.9 28 22 A T T 5S+ 0 0 62 1,-0.2 42,-2.1 2,-0.1 43,-0.2 -0.934 136.9 26.4-130.8 103.4 -51.9 -23.0 32.3 29 23 A P T 5S- 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.567 119.9-108.3 -70.0 159.0 -49.5 -24.7 31.8 30 24 A P T 5 - 0 0 91 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.331 24.2-152.9 -63.4 140.7 -47.4 -21.8 30.5 31 25 A Q E < -G 26 0B 36 -5,-1.7 -5,-2.4 31,-0.0 2,-0.1 -0.979 21.9-139.6-111.6 112.0 -46.7 -21.6 26.7 32 26 A T E -G 25 0B 59 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.458 22.2-179.5 -81.1 151.5 -43.4 -19.7 26.2 33 27 A F E -G 24 0B 2 -9,-1.5 -9,-1.6 -2,-0.1 2,-0.6 -0.987 31.3-124.2-145.3 148.4 -42.6 -17.2 23.4 34 28 A K E -G 23 0B 31 -2,-0.3 92,-2.4 -11,-0.2 93,-1.8 -0.853 44.2-175.8 -91.4 121.1 -39.7 -15.0 22.3 35 29 A V E -Gi 22 127B 0 -13,-3.3 -13,-3.0 -2,-0.6 2,-0.5 -0.962 28.7-128.0-128.0 148.0 -41.1 -11.5 22.3 36 30 A V E - i 0 128B 2 91,-1.9 93,-2.8 -2,-0.3 2,-1.0 -0.801 22.0-140.5 -91.2 125.4 -39.8 -8.0 21.4 37 31 A F E - i 0 129B 8 -2,-0.5 2,-0.5 -17,-0.3 93,-0.2 -0.819 28.4-176.8 -92.1 100.5 -40.4 -5.5 24.2 38 32 A D E - i 0 130B 0 91,-1.7 93,-3.4 -2,-1.0 3,-0.5 -0.918 28.5-169.0-108.1 120.6 -41.4 -2.3 22.3 39 33 A T S S+ 0 0 1 -2,-0.5 159,-0.5 92,-0.2 94,-0.2 0.447 88.7 68.8 -82.1 -2.5 -42.1 1.0 24.0 40 34 A G S S+ 0 0 8 -28,-0.1 -28,-0.3 92,-0.1 -1,-0.2 0.711 100.9 42.8 -86.4 -29.0 -43.6 2.1 20.7 41 35 A S - 0 0 9 -3,-0.5 91,-2.5 88,-0.1 96,-0.2 -0.588 59.8-156.3-111.6 175.3 -46.7 -0.2 20.7 42 36 A S + 0 0 0 94,-0.5 2,-0.3 89,-0.2 102,-0.2 0.216 62.4 95.0-137.1 9.7 -49.2 -1.1 23.6 43 37 A N - 0 0 7 93,-0.2 87,-1.1 100,-0.1 2,-0.5 -0.822 62.0-141.5-108.2 146.5 -50.5 -4.5 22.4 44 38 A V E +J 129 0B 2 64,-0.4 66,-3.6 -2,-0.3 2,-0.4 -0.930 31.7 173.0-102.6 121.8 -49.4 -8.0 23.4 45 39 A W E +Jk 128 110B 9 83,-3.1 83,-1.8 -2,-0.5 66,-0.2 -0.999 13.8 172.1-138.7 142.9 -49.5 -10.3 20.4 46 40 A V E - k 0 111B 0 64,-2.2 66,-2.3 -2,-0.4 81,-0.1 -0.976 44.9 -89.1-138.5 150.6 -48.4 -13.9 19.6 47 41 A P E - k 0 112B 0 0, 0.0 17,-2.6 0, 0.0 2,-0.3 -0.372 47.8-134.9 -61.8 137.8 -48.9 -16.3 16.7 48 42 A S B > -o 64 0C 0 64,-2.9 3,-1.6 15,-0.3 17,-0.2 -0.718 13.7-131.5 -96.4 150.7 -52.1 -18.3 17.2 49 43 A S T 3 S+ 0 0 45 15,-2.7 16,-0.1 -2,-0.3 -1,-0.1 0.695 110.1 67.4 -67.7 -17.8 -52.6 -22.1 16.6 50 44 A K T 3 S+ 0 0 106 14,-0.3 2,-0.4 62,-0.1 -1,-0.3 0.417 74.0 111.3 -82.6 -1.5 -55.7 -20.9 14.6 51 45 A a < + 0 0 18 -3,-1.6 2,-0.1 61,-0.3 63,-0.1 -0.648 34.3 154.2 -76.9 123.3 -53.4 -19.3 12.0 52 46 A S + 0 0 106 61,-0.5 61,-0.0 -2,-0.4 -3,-0.0 -0.605 20.6 116.5-155.0 84.0 -53.7 -21.3 8.7 53 46AA R - 0 0 108 -2,-0.1 2,-3.4 0, 0.0 -1,-0.0 0.244 60.5-137.2-140.1 16.9 -52.9 -19.5 5.4 54 46BA L S S+ 0 0 139 1,-0.2 3,-0.2 -3,-0.1 393,-0.1 -0.140 100.8 52.6 57.3 -43.3 -49.8 -21.3 3.9 55 47 A Y S S+ 0 0 81 -2,-3.4 -1,-0.2 1,-0.1 -3,-0.0 -0.074 88.5 93.1-106.3 28.4 -48.1 -17.9 2.9 56 48 A T S S- 0 0 2 64,-0.0 64,-0.1 58,-0.0 -1,-0.1 0.872 81.0-129.5 -92.5 -45.9 -48.4 -16.4 6.5 57 49 A A S > S+ 0 0 0 -3,-0.2 3,-0.8 63,-0.1 57,-0.0 0.234 79.9 107.8 104.5 -5.0 -45.3 -17.1 8.6 58 50 A a G > S+ 0 0 4 1,-0.2 3,-2.1 2,-0.2 -7,-0.0 0.876 73.5 68.2 -64.7 -34.1 -47.0 -18.5 11.7 59 51 A V G 3 S+ 0 0 53 1,-0.3 -1,-0.2 -5,-0.0 4,-0.1 0.775 94.8 54.0 -50.0 -40.1 -45.5 -21.8 10.4 60 52 A Y G < S+ 0 0 12 -3,-0.8 -1,-0.3 2,-0.1 2,-0.2 0.183 111.3 51.8 -85.9 12.9 -42.0 -20.6 11.2 61 53 A H S < S- 0 0 0 -3,-2.1 2,-0.3 668,-0.1 65,-0.1 -0.855 92.4 -78.9-142.9 175.4 -42.9 -19.7 14.9 62 54 A K - 0 0 53 -2,-0.2 2,-0.3 666,-0.2 668,-0.1 -0.634 46.2-147.2 -78.1 132.1 -44.4 -20.9 18.2 63 55 A L - 0 0 66 667,-0.3 2,-0.6 -2,-0.3 -15,-0.3 -0.812 10.9-126.1-104.2 146.3 -48.2 -20.9 18.3 64 56 A F B -o 48 0C 0 -17,-2.6 -15,-2.7 -2,-0.3 2,-0.7 -0.800 22.1-161.9 -88.4 120.5 -50.5 -20.2 21.2 65 57 A D > - 0 0 50 -2,-0.6 3,-1.3 -17,-0.2 4,-0.1 -0.907 7.3-169.5-106.2 102.0 -53.0 -23.1 21.5 66 58 A A G > S+ 0 0 6 -2,-0.7 3,-1.7 1,-0.2 6,-0.3 0.811 84.0 66.3 -56.9 -34.5 -55.9 -21.9 23.6 67 59 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.734 96.6 55.2 -61.3 -27.0 -57.2 -25.5 23.9 68 60 A D G < S+ 0 0 101 -3,-1.3 2,-0.5 1,-0.0 -1,-0.3 0.329 95.0 82.7 -89.9 4.5 -54.1 -26.5 25.9 69 61 A S X - 0 0 12 -3,-1.7 3,-0.8 1,-0.1 -42,-0.1 -0.959 54.0-168.5-118.7 121.4 -54.8 -23.8 28.6 70 62 A S T 3 S+ 0 0 104 -42,-2.1 -1,-0.1 -2,-0.5 -4,-0.0 0.758 92.0 55.2 -71.3 -29.9 -57.2 -24.3 31.5 71 63 A S T 3 S+ 0 0 30 -43,-0.2 -1,-0.2 25,-0.1 2,-0.2 0.362 81.4 124.1 -86.7 2.0 -57.0 -20.5 32.4 72 64 A Y < + 0 0 54 -3,-0.8 2,-0.4 -6,-0.3 23,-0.2 -0.447 34.4 179.2 -69.5 135.3 -58.0 -19.4 28.9 73 65 A K E -L 94 0B 135 21,-2.8 21,-2.2 -2,-0.2 2,-0.1 -0.982 20.5-137.7-138.5 117.6 -61.1 -17.1 28.5 74 66 A H E +L 93 0B 141 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.370 28.5 168.2 -77.0 157.6 -62.1 -15.9 25.0 75 67 A N E - 0 0 69 17,-1.2 18,-0.2 -2,-0.1 -1,-0.1 0.502 23.3-156.0-126.8 -68.1 -63.2 -12.5 23.8 76 68 A G E + 0 0 36 16,-2.6 17,-0.1 1,-0.3 -2,-0.0 0.212 33.2 149.3 107.7 -13.1 -63.1 -12.5 20.0 77 69 A T E - 0 0 79 15,-0.1 15,-2.1 14,-0.1 -1,-0.3 -0.320 46.5-123.7 -57.1 127.8 -62.7 -8.8 19.1 78 70 A E E -L 91 0B 169 13,-0.2 2,-0.3 32,-0.1 13,-0.2 -0.552 26.1-168.9 -76.3 137.9 -60.8 -8.4 15.8 79 71 A L E -L 90 0B 8 11,-2.1 11,-1.9 -2,-0.2 2,-0.4 -0.964 3.2-165.8-126.0 141.1 -57.6 -6.3 15.8 80 72 A T E -L 89 0B 69 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.993 18.0-163.2-137.6 131.4 -55.7 -5.2 12.6 81 73 A L E -L 88 0B 10 7,-2.4 7,-1.7 -2,-0.4 2,-0.3 -0.926 27.0-155.2-109.1 97.3 -52.2 -3.7 11.9 82 74 A R E +L 87 0B 128 -2,-0.7 -80,-2.1 -80,-0.2 2,-0.2 -0.639 18.5 171.8 -82.4 132.4 -52.5 -2.3 8.4 83 75 A Y - 0 0 7 3,-2.5 3,-0.3 -2,-0.3 619,-0.1 -0.668 55.2 -90.5-123.3 177.0 -49.4 -1.8 6.1 84 76 A S S S+ 0 0 61 1,-0.3 618,-0.2 -2,-0.2 2,-0.2 0.878 120.5 24.8 -57.1 -38.1 -49.1 -0.8 2.4 85 77 A T S S- 0 0 30 616,-0.4 -1,-0.3 1,-0.1 619,-0.2 -0.638 121.8 -21.0-171.1 112.7 -49.3 -4.7 1.8 86 78 A G - 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