==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-FEB-02 1GVZ . COMPND 2 MOLECULE: KALLIKREIN-1E2; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR A.L.CARVALHO,L.SANZ,D.BARETTINO,A.ROMERO,J.J.CALVETE, . 237 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 58.6 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 . 76 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 15 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.6 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+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 0 0 1 0 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 . 3 3 5 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 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 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 16 A I 0 0 12 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 134.5 8.1 20.5 23.3 2 17 A I B +A 183 0A 59 181,-2.8 181,-2.2 1,-0.2 3,-0.1 -0.929 360.0 20.2-107.7 135.3 6.7 17.4 25.1 3 18 A G S S+ 0 0 35 -2,-0.4 -1,-0.2 179,-0.2 2,-0.1 0.638 98.9 112.1 87.4 13.3 3.1 17.4 26.1 4 19 A G - 0 0 26 -3,-0.3 2,-0.3 179,-0.1 146,-0.2 -0.083 60.4-114.6 -98.1-156.8 2.0 20.1 23.7 5 20 A W E -C 149 0B 112 144,-2.4 144,-3.0 -3,-0.1 2,-0.3 -0.954 36.6 -85.5-142.0 156.7 -0.2 20.2 20.6 6 21 A E E -C 148 0B 92 -2,-0.3 142,-0.3 142,-0.2 3,-0.1 -0.501 49.1-128.2 -69.0 123.4 0.3 20.9 16.9 7 22 A a - 0 0 2 140,-2.3 140,-0.1 -2,-0.3 3,-0.1 -0.306 31.4 -89.9 -65.4 154.6 0.1 24.7 16.3 8 23 A E > - 0 0 151 1,-0.1 3,-2.1 2,-0.1 4,-0.3 -0.423 60.1 -91.3 -59.1 138.0 -2.1 26.1 13.6 9 24 A K T 3 S+ 0 0 133 1,-0.3 -1,-0.1 2,-0.1 45,-0.1 -0.364 107.5 0.7 -61.0 127.5 -0.0 26.3 10.4 10 25 A H T 3 S+ 0 0 68 43,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.623 91.8 123.4 69.0 14.8 1.7 29.7 10.1 11 26 A S S < S+ 0 0 39 -3,-2.1 -2,-0.1 1,-0.2 -1,-0.1 0.590 78.0 43.7 -77.4 -12.4 0.3 30.9 13.4 12 27 A K S > S+ 0 0 41 -4,-0.3 3,-2.5 1,-0.1 -1,-0.2 -0.585 71.3 164.7-124.9 64.9 3.8 31.6 14.6 13 28 A P T 3 S+ 0 0 15 0, 0.0 100,-1.5 0, 0.0 39,-0.4 0.593 70.9 61.6 -71.1 -8.4 5.2 33.2 11.5 14 29 A W T 3 S+ 0 0 39 98,-0.2 16,-2.4 100,-0.1 2,-0.2 0.404 78.5 120.1 -83.5 -5.2 8.2 34.6 13.4 15 30 A Q E < -J 29 0C 5 -3,-2.5 37,-0.5 14,-0.2 38,-0.4 -0.477 47.9-160.6 -72.6 131.1 9.4 31.0 14.2 16 31 A V E -JK 28 51C 0 12,-2.3 12,-0.5 -2,-0.2 2,-0.5 -0.839 13.0-151.6-109.9 147.6 12.8 30.1 12.9 17 32 A A E -JK 27 50C 0 33,-2.4 33,-2.7 -2,-0.3 2,-0.6 -0.989 13.5-159.9-114.7 121.3 14.4 26.8 12.3 18 33 A V E -JK 26 49C 2 8,-3.3 7,-3.1 -2,-0.5 8,-1.7 -0.912 14.3-177.7-104.7 120.3 18.2 26.8 12.6 19 34 A Y E -JK 24 48C 27 29,-3.1 29,-2.1 -2,-0.6 2,-0.4 -0.746 18.2-156.0-113.3 160.1 20.0 23.9 11.0 20 35 A H E > S-J 23 0C 37 3,-2.5 3,-2.1 -2,-0.3 27,-0.1 -0.964 81.4 -21.9-136.4 118.7 23.6 22.8 10.7 21 36 A Q T 3 S- 0 0 130 25,-0.4 3,-0.1 -2,-0.4 26,-0.1 0.875 129.6 -48.2 53.3 37.7 24.8 20.6 7.8 22 38 A G T 3 S+ 0 0 51 1,-0.2 2,-0.5 26,-0.0 -1,-0.3 0.500 116.7 116.3 85.4 -3.6 21.0 19.4 7.2 23 39 A H E < S-J 20 0C 120 -3,-2.1 -3,-2.5 119,-0.0 -1,-0.2 -0.913 70.3-121.1-107.9 126.1 20.6 18.7 10.9 24 40 A F E +J 19 0C 5 -2,-0.5 118,-0.6 119,-0.3 -5,-0.3 -0.371 36.5 167.7 -62.5 134.3 18.1 20.6 13.0 25 41 A Q E - 0 0 43 -7,-3.1 2,-0.3 1,-0.4 164,-0.2 0.771 50.4 -36.3-113.6 -55.6 19.7 22.5 15.9 26 42 A b E -J 18 0C 0 -8,-1.7 -8,-3.3 162,-0.1 -1,-0.4 -0.962 50.2-102.9-157.6 176.9 17.3 25.0 17.4 27 43 A G E +J 17 0C 0 162,-2.4 12,-0.3 160,-0.3 2,-0.3 -0.073 32.6 177.7 -89.3-161.4 14.5 27.5 17.0 28 44 A G E -J 16 0C 0 -12,-0.5 -12,-2.3 162,-0.2 2,-0.4 -0.941 26.9-105.3 171.8 173.1 14.7 31.3 16.9 29 45 A V E -JL 15 37C 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.8 -0.992 20.1-133.4-126.3 126.6 12.6 34.4 16.5 30 46 A L E + L 0 36C 0 -16,-2.4 85,-2.2 -2,-0.4 6,-0.2 -0.723 33.5 167.4 -75.7 108.9 12.6 36.7 13.4 31 47 A V E + 0 0 13 4,-2.0 86,-0.2 -2,-0.8 5,-0.2 0.530 67.9 5.9-104.0 -8.0 12.8 40.2 15.1 32 48 A H E > S- L 0 35C 54 3,-1.2 3,-2.0 81,-0.1 -1,-0.3 -0.913 86.6 -99.0-163.6 153.5 13.7 42.3 12.0 33 49 A P T 3 S+ 0 0 40 0, 0.0 73,-3.0 0, 0.0 71,-0.1 0.809 127.1 38.6 -52.6 -26.6 13.8 41.2 8.3 34 50 A Q T 3 S+ 0 0 40 71,-0.2 68,-2.8 1,-0.1 2,-0.4 0.318 111.2 69.5-103.4 7.7 17.6 41.0 8.7 35 51 A W E < -LM 32 101C 0 -3,-2.0 -4,-2.0 66,-0.2 -3,-1.2 -0.985 48.2-170.0-142.5 133.8 17.8 39.5 12.2 36 52 A V E -LM 30 100C 0 64,-2.3 64,-3.1 -2,-0.4 2,-0.5 -0.950 14.8-151.6-114.4 133.2 17.1 36.3 14.2 37 53 A L E +LM 29 99C 0 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.2 -0.900 34.3 141.1 -99.6 130.7 17.2 36.1 17.9 38 54 A T E - M 0 98C 0 60,-2.8 60,-2.7 -2,-0.5 2,-0.3 -0.792 52.8 -61.8-150.7-172.0 18.2 32.7 19.4 39 55 A A > - 0 0 1 -12,-0.3 3,-1.8 58,-0.2 58,-0.3 -0.643 35.3-131.9 -82.5 143.8 20.2 31.1 22.2 40 56 A A G > S+ 0 0 0 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.826 106.3 64.9 -59.4 -32.6 24.0 31.6 22.4 41 57 A H G 3 S+ 0 0 31 1,-0.3 -1,-0.3 55,-0.1 56,-0.0 0.543 88.6 68.0 -70.9 -4.3 24.4 27.9 22.9 42 58 A b G < S+ 0 0 6 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.198 73.7 136.1 -92.2 3.4 23.0 27.4 19.4 43 60 A M < + 0 0 76 -3,-2.0 2,-0.3 2,-0.0 -3,-0.0 -0.365 27.8 167.4 -48.8 140.0 26.3 29.1 18.0 44 61 A S - 0 0 33 1,-0.0 3,-0.2 0, 0.0 -2,-0.1 -0.940 46.6-118.7-145.7 169.6 27.7 27.2 15.0 45 62 A D S S+ 0 0 145 -2,-0.3 2,-0.2 1,-0.2 -2,-0.0 0.432 103.3 27.1 -90.3 0.5 30.3 27.6 12.2 46 63 A D S S- 0 0 71 -27,-0.1 -25,-0.4 2,-0.0 2,-0.3 -0.595 74.6-159.8-164.5 97.2 27.7 27.4 9.4 47 64 A Y - 0 0 14 -3,-0.2 2,-0.5 -2,-0.2 21,-0.4 -0.556 10.5-168.8 -83.1 137.5 24.1 28.3 9.7 48 65 A Q E -K 19 0C 47 -29,-2.1 -29,-3.1 -2,-0.3 2,-0.5 -0.980 19.4-162.4-117.1 115.9 21.2 27.2 7.5 49 66 A I E -KN 18 66C 0 17,-3.1 17,-2.6 -2,-0.5 2,-0.5 -0.865 6.0-167.4-105.5 129.4 18.2 29.4 8.5 50 67 A W E -KN 17 65C 69 -33,-2.7 -33,-2.4 -2,-0.5 2,-0.3 -0.965 5.3-178.1-120.1 123.3 14.7 28.4 7.6 51 68 A L E +KN 16 64C 2 13,-2.6 13,-2.4 -2,-0.5 -35,-0.1 -0.723 63.8 34.2-106.2 161.6 11.7 30.7 7.8 52 69 A G S S+ 0 0 3 -37,-0.5 2,-0.2 59,-0.4 10,-0.2 0.667 82.0 149.4 73.8 19.4 8.0 29.9 7.0 53 70 A R + 0 0 25 -38,-0.4 -43,-0.2 -3,-0.2 -1,-0.2 -0.527 21.4 155.7 -90.5 153.5 8.2 26.3 8.2 54 71 A H S S+ 0 0 4 1,-0.2 93,-1.5 -2,-0.2 2,-0.7 0.481 76.2 31.7-128.4 -61.6 5.5 24.1 9.7 55 72 A N B > -P 146 0D 30 91,-0.2 3,-1.3 1,-0.1 91,-0.3 -0.905 61.2-168.8-104.5 107.5 6.4 20.4 9.0 56 73 A L T 3 S+ 0 0 15 89,-2.8 -1,-0.1 -2,-0.7 90,-0.1 0.625 80.1 72.7 -66.6 -13.6 10.2 20.0 9.0 57 74 A S T 3 S+ 0 0 75 2,-0.1 2,-0.3 88,-0.0 -1,-0.2 0.411 101.8 36.4 -88.1 0.7 9.7 16.5 7.6 58 75 A K S < S- 0 0 107 -3,-1.3 2,-0.2 87,-0.1 -3,-0.1 -0.972 90.6 -89.4-147.3 165.4 8.7 17.7 4.2 59 76 A D - 0 0 162 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.499 43.0-162.9 -72.5 140.8 9.3 20.3 1.5 60 77 A E > - 0 0 32 -2,-0.2 3,-1.4 1,-0.1 -1,-0.0 -0.991 24.1-141.9-132.6 135.4 7.1 23.4 2.0 61 78 A D T 3 S+ 0 0 176 -2,-0.4 -1,-0.1 1,-0.3 -8,-0.1 0.802 103.3 54.7 -65.4 -28.4 6.2 26.1 -0.5 62 79 A T T 3 S+ 0 0 51 -10,-0.2 -1,-0.3 2,-0.1 -9,-0.1 0.552 81.6 119.2 -81.1 -7.3 6.3 28.8 2.2 63 80 A A < - 0 0 27 -3,-1.4 2,-0.4 -13,-0.1 -11,-0.2 -0.346 46.0-165.2 -63.7 136.8 9.8 27.8 3.3 64 81 A Q E -N 51 0C 29 -13,-2.4 -13,-2.6 -2,-0.1 2,-0.4 -0.990 7.9-146.6-129.5 122.0 12.5 30.5 2.9 65 82 A F E +N 50 0C 105 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.751 21.0 175.4 -94.2 134.6 16.2 29.7 3.1 66 83 A H E -N 49 0C 13 -17,-2.6 -17,-3.1 -2,-0.4 2,-0.2 -0.990 19.8-150.0-139.1 142.8 18.8 32.2 4.5 67 84 A Q - 0 0 110 -2,-0.3 36,-2.5 -19,-0.2 37,-0.5 -0.666 25.4-120.1 -99.0 167.5 22.4 32.3 5.3 68 85 A V E -O 102 0C 32 -21,-0.4 34,-0.3 34,-0.3 -21,-0.1 -0.897 18.6-172.2-113.9 135.7 24.0 34.3 8.1 69 86 A S E S+ 0 0 48 32,-2.8 2,-0.3 -2,-0.4 33,-0.2 0.741 71.7 2.9 -94.1 -30.2 26.6 37.0 7.7 70 87 A D E -O 101 0C 78 31,-1.1 31,-2.7 2,-0.0 2,-0.4 -0.988 56.8-144.1-156.4 151.4 27.5 37.7 11.4 71 88 A S E -O 100 0C 42 -2,-0.3 2,-0.4 29,-0.2 29,-0.2 -0.947 10.5-167.6-119.1 144.4 26.7 36.5 14.9 72 89 A F E -O 99 0C 50 27,-2.6 27,-3.0 -2,-0.4 2,-0.3 -0.964 8.6-161.1-133.2 113.9 26.5 38.8 18.0 73 90 A L E -O 98 0C 30 -2,-0.4 25,-0.2 25,-0.2 23,-0.1 -0.665 37.4 -93.0 -92.8 149.3 26.4 37.2 21.5 74 91 A D > - 0 0 9 23,-2.5 3,-2.1 21,-0.3 -1,-0.1 -0.450 39.9-131.3 -52.5 125.3 25.3 38.9 24.6 75 92 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.685 103.8 56.7 -61.9 -15.8 28.6 40.3 25.9 76 93 A Q T 3 S+ 0 0 139 2,-0.1 2,-0.2 19,-0.1 19,-0.1 0.429 77.0 116.2 -95.8 -1.8 27.9 38.9 29.4 77 94 A F S < S- 0 0 10 -3,-2.1 2,-1.0 18,-0.2 19,-0.1 -0.486 77.3-115.2 -63.3 135.1 27.5 35.3 28.2 78 95 A D > - 0 0 90 -2,-0.2 3,-2.2 1,-0.2 4,-0.3 -0.633 24.9-159.0 -76.8 105.3 30.2 33.1 29.7 79 95AA L G > S+ 0 0 114 -2,-1.0 3,-1.6 1,-0.3 4,-0.3 0.710 83.6 73.1 -61.7 -21.5 32.1 32.0 26.6 80 95BA S G > S+ 0 0 75 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.698 84.8 69.7 -66.5 -15.9 33.6 29.0 28.4 81 95CA L G X S+ 0 0 15 -3,-2.2 3,-1.4 1,-0.2 -1,-0.3 0.753 82.6 72.4 -69.9 -22.7 30.1 27.4 28.1 82 95DA L G < S+ 0 0 67 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.705 85.9 65.0 -67.7 -19.4 30.6 27.2 24.3 83 95EA K G < S+ 0 0 111 -3,-0.9 2,-0.3 -4,-0.3 -1,-0.3 0.697 87.6 86.0 -74.5 -19.0 33.1 24.3 24.8 84 95FA K < - 0 0 45 -3,-1.4 3,-0.1 -4,-0.2 -3,-0.0 -0.659 68.5-149.5 -87.7 135.2 30.3 22.1 26.3 85 95GA K S S+ 0 0 99 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.893 90.6 23.4 -64.4 -37.6 28.1 20.0 24.0 86 95HA Y S S- 0 0 60 -3,-0.1 121,-0.2 121,-0.0 -1,-0.2 -0.991 78.5-132.2-131.0 136.8 25.4 20.4 26.6 87 95IA L - 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