==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-OCT-02 1MZA . COMPND 2 MOLECULE: PRO-GRANZYME K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.HINK-SCHAUER,E.ESTEBANEZ-PERPINA,E.WILHARM,P.FUENTES- . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12445.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 56.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 29.2 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 . 2 0.8 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 . 1 0.4 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 . 17 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 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 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 3 2 5 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 1 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 14 A M 0 0 239 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 16.8 5.7 23.8 4.8 2 15 A E + 0 0 161 1,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.946 360.0 30.0-173.0 150.6 8.2 25.2 7.3 3 16 A I + 0 0 151 -2,-0.3 -1,-0.3 1,-0.1 2,-0.1 0.823 51.1 141.8 63.0 119.5 9.1 27.9 9.8 4 17 A I + 0 0 139 1,-0.0 -1,-0.1 180,-0.0 3,-0.1 -0.521 7.3 136.9 174.3 109.9 6.4 29.9 11.7 5 18 A G + 0 0 29 1,-0.2 142,-0.1 -2,-0.1 -1,-0.0 -0.389 60.6 20.8-167.2 81.5 6.6 31.1 15.3 6 19 A G - 0 0 18 140,-0.2 2,-0.4 179,-0.1 -1,-0.2 0.494 52.1-162.3 121.3 96.5 5.4 34.5 16.3 7 20 A K E -A 146 0A 145 139,-1.9 139,-2.3 -3,-0.1 2,-0.3 -0.889 30.0-115.6-105.9 131.7 3.0 36.9 14.4 8 21 A E E -A 145 0A 99 -2,-0.4 137,-0.2 137,-0.2 2,-0.1 -0.471 31.3-133.1 -67.9 126.0 3.1 40.6 15.4 9 22 A V - 0 0 6 135,-1.2 3,-0.1 -2,-0.3 135,-0.1 -0.404 31.6 -85.7 -80.7 157.6 -0.3 41.8 16.9 10 23 A S > - 0 0 83 1,-0.1 3,-2.0 -2,-0.1 4,-0.2 -0.337 66.1 -85.2 -58.3 134.4 -2.1 44.9 16.0 11 24 A P T 3 S- 0 0 74 0, 0.0 -1,-0.1 0, 0.0 50,-0.1 -0.158 107.8 -4.3 -49.4 118.2 -0.6 47.7 18.1 12 25 A H T 3 S+ 0 0 37 48,-0.3 -2,-0.1 -3,-0.1 49,-0.1 0.691 90.9 126.4 71.9 22.7 -2.3 48.0 21.6 13 26 A S S < S+ 0 0 42 -3,-2.0 -3,-0.1 1,-0.2 -1,-0.1 0.394 71.1 54.3 -85.9 -3.4 -4.8 45.2 20.8 14 27 A R S > S+ 0 0 77 -4,-0.2 3,-2.5 93,-0.1 -1,-0.2 -0.547 70.1 172.3-129.7 63.5 -3.8 43.3 23.9 15 28 A P T 3 S+ 0 0 25 0, 0.0 94,-1.0 0, 0.0 44,-0.4 0.552 70.6 64.2 -48.5 -19.1 -4.3 46.2 26.5 16 29 A F T 3 S+ 0 0 22 92,-0.2 16,-1.9 94,-0.1 95,-0.2 0.612 76.8 115.3 -86.1 -14.2 -3.7 43.9 29.4 17 30 A M E < -I 31 0B 5 -3,-2.5 42,-0.5 14,-0.2 43,-0.4 -0.283 44.1-170.9 -63.7 136.2 -0.1 43.2 28.5 18 31 A A E -I 30 0B 0 12,-2.6 2,-0.7 40,-0.1 12,-0.6 -0.966 16.9-140.7-129.8 147.0 2.7 44.4 30.8 19 32 A S E -IJ 29 57B 0 38,-1.9 38,-1.4 -2,-0.4 2,-0.5 -0.901 11.8-149.8-109.7 110.2 6.4 44.5 30.4 20 33 A I E -IJ 28 56B 0 8,-3.0 7,-2.8 -2,-0.7 8,-1.6 -0.663 28.9-175.2 -77.2 125.5 8.4 43.6 33.5 21 34 A Q E -IJ 26 55B 16 34,-2.8 34,-2.8 -2,-0.5 2,-0.5 -0.966 28.5-163.3-134.2 144.5 11.7 45.5 33.3 22 35 A Y E > S-IJ 25 54B 19 3,-2.4 3,-1.3 -2,-0.4 31,-0.2 -0.981 88.2 -9.4-121.4 120.3 15.0 46.0 35.0 23 37 A G T 3 S- 0 0 51 29,-1.5 -1,-0.1 30,-0.8 30,-0.1 0.739 131.7 -55.1 66.1 21.9 17.1 49.1 34.2 24 38 A G T 3 S+ 0 0 50 29,-0.4 2,-0.4 1,-0.3 -1,-0.3 0.562 114.2 115.9 88.7 6.6 14.7 49.9 31.4 25 39 A H E < -I 22 0B 105 -3,-1.3 -3,-2.4 -6,-0.0 -1,-0.3 -0.936 67.3-118.1-114.7 137.6 15.1 46.5 29.7 26 40 A H E +I 21 0B 8 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.489 39.6 158.4 -70.3 131.6 12.4 43.9 29.3 27 41 A V E + 0 0 50 -7,-2.8 161,-0.3 1,-0.4 2,-0.3 0.498 65.9 8.1-125.7 -17.5 13.0 40.6 31.0 28 42 A a E -I 20 0B 2 -8,-1.6 -8,-3.0 161,-0.1 -1,-0.4 -0.995 60.5-122.9-160.8 162.9 9.4 39.3 31.2 29 43 A G E +I 19 0B 1 161,-3.2 12,-0.3 -2,-0.3 2,-0.3 -0.326 31.6 172.4 -96.8-176.9 5.7 39.8 30.3 30 44 A G E -I 18 0B 0 -12,-0.6 -12,-2.6 10,-0.1 2,-0.4 -0.921 27.4-114.3 175.5 160.7 2.8 40.1 32.7 31 45 A V E -IK 17 39B 0 8,-3.0 8,-3.8 160,-0.3 2,-0.8 -0.922 18.9-133.4-118.3 135.7 -0.9 40.8 33.0 32 46 A L E + K 0 38B 1 -16,-1.9 79,-2.5 -2,-0.4 6,-0.3 -0.774 31.5 167.3 -84.5 111.9 -2.5 43.7 34.7 33 47 A I E + 0 0 15 4,-1.4 5,-0.2 -2,-0.8 -1,-0.2 0.440 67.2 11.7-107.1 -1.5 -5.3 42.1 36.9 34 48 A D E > S- K 0 37B 56 3,-1.3 3,-1.7 75,-0.1 -1,-0.3 -0.947 91.5 -91.7-165.6 155.7 -6.1 45.2 39.0 35 49 A P T 3 S+ 0 0 38 0, 0.0 67,-2.6 0, 0.0 65,-0.1 0.768 128.1 24.9 -46.4 -30.4 -5.2 48.9 38.8 36 50 A Q T 3 S+ 0 0 42 65,-0.2 62,-3.2 63,-0.1 2,-0.4 0.253 112.3 80.5-119.8 10.0 -2.2 48.2 41.1 37 51 A W E < -KL 34 97B 6 -3,-1.7 -4,-1.4 60,-0.2 -3,-1.3 -0.955 46.9-174.9-127.1 142.7 -1.5 44.6 40.4 38 52 A V E -KL 32 96B 0 58,-1.2 58,-2.5 -2,-0.4 2,-0.4 -0.991 16.6-145.6-129.6 135.4 0.3 42.6 37.7 39 53 A L E +KL 31 95B 0 -8,-3.8 -8,-3.0 -2,-0.4 2,-0.3 -0.850 37.0 138.8-102.4 137.8 0.4 38.9 37.5 40 54 A T E - L 0 94B 0 54,-2.5 54,-3.4 -2,-0.4 2,-0.3 -0.867 52.7 -65.4-158.0-172.8 3.6 37.3 36.1 41 55 A A > - 0 0 0 -12,-0.3 3,-1.6 52,-0.3 52,-0.3 -0.640 32.9-128.5 -89.4 147.7 5.9 34.4 36.8 42 56 A A G > S+ 0 0 1 1,-0.3 3,-1.9 -2,-0.3 -1,-0.1 0.830 105.8 71.0 -62.0 -30.2 8.1 34.0 39.9 43 57 A H G 3 S+ 0 0 105 1,-0.3 -1,-0.3 49,-0.1 162,-0.1 0.740 83.5 73.7 -57.9 -21.6 11.1 33.5 37.6 44 58 A a G < S+ 0 0 5 -3,-1.6 2,-0.7 2,-0.1 -1,-0.3 0.464 72.4 92.9 -77.1 -0.5 10.9 37.2 36.7 45 59 A Q S < S- 0 0 52 -3,-1.9 2,-1.3 -4,-0.1 -3,-0.0 -0.852 73.1-142.0 -95.7 116.3 12.2 38.4 40.0 46 60 A Y > - 0 0 111 -2,-0.7 3,-0.6 1,-0.2 -2,-0.1 -0.668 18.4-174.7 -80.9 97.7 16.0 38.9 39.8 47 60AA R T 3 + 0 0 133 -2,-1.3 -1,-0.2 1,-0.2 -3,-0.0 0.409 69.7 76.6 -74.1 2.8 17.0 37.7 43.2 48 60BA F T 3 S+ 0 0 167 2,-0.0 2,-0.3 -3,-0.0 -1,-0.2 -0.018 90.6 56.0-106.8 32.2 20.6 38.7 42.6 49 60CA T < - 0 0 46 -3,-0.6 -3,-0.0 1,-0.1 0, 0.0 -0.978 54.5-158.2-159.2 145.4 20.2 42.4 43.1 50 60DA K S S+ 0 0 217 -2,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.630 90.9 9.1 -95.7 -20.1 18.9 44.8 45.7 51 61 A G + 0 0 33 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.123 49.5 139.0-124.4-125.8 18.3 47.4 43.1 52 62 A Q S S- 0 0 102 1,-0.2 -29,-1.5 -30,-0.1 -28,-0.2 0.769 81.5 -98.8 73.5 30.3 18.4 47.9 39.3 53 63 A S - 0 0 94 -31,-0.2 -30,-0.8 1,-0.1 -29,-0.4 0.773 45.9-149.8 22.9 75.6 15.2 50.0 39.5 54 64 A P E +J 22 0B 27 0, 0.0 21,-1.5 0, 0.0 2,-0.3 -0.459 25.5 167.2 -70.0 136.9 12.6 47.4 38.6 55 65 A T E -JM 21 74B 22 -34,-2.8 -34,-2.8 19,-0.2 2,-0.4 -0.913 31.6-128.8-143.0 171.8 9.5 48.8 36.8 56 66 A V E -JM 20 73B 0 17,-3.1 17,-2.7 -2,-0.3 2,-0.5 -0.974 15.8-154.1-124.2 137.4 6.4 47.9 34.8 57 67 A V E -JM 19 72B 7 -38,-1.4 -38,-1.9 -2,-0.4 3,-0.3 -0.963 15.3-173.7-117.9 119.0 5.5 49.4 31.4 58 68 A L E + M 0 71B 2 13,-2.8 13,-1.8 -2,-0.5 -40,-0.1 -0.612 60.0 29.0-105.6 166.2 1.8 49.4 30.4 59 69 A G S S+ 0 0 3 -42,-0.5 2,-0.2 -44,-0.4 -1,-0.2 0.828 88.9 138.8 54.9 38.6 0.1 50.4 27.2 60 70 A A + 0 0 9 -43,-0.4 -48,-0.3 -3,-0.3 -1,-0.2 -0.710 34.6 166.8-115.0 163.1 3.0 49.5 25.1 61 71 A H S S+ 0 0 13 1,-0.5 83,-1.7 -2,-0.2 2,-0.5 0.477 78.3 43.8-132.5 -49.3 3.7 47.8 21.7 62 72 A S B -O 143 0C 2 81,-0.2 -1,-0.5 3,-0.1 81,-0.2 -0.897 67.0-153.0-104.9 130.1 7.3 48.7 21.0 63 73 A L S S+ 0 0 38 79,-2.9 -1,-0.1 -2,-0.5 80,-0.1 0.839 93.8 35.7 -67.9 -36.2 9.8 48.4 23.8 64 74 A S S S+ 0 0 85 78,-0.2 -1,-0.1 2,-0.1 2,-0.1 0.864 101.4 78.7 -89.2 -40.9 12.2 51.0 22.4 65 75 A K S S- 0 0 132 77,-0.1 2,-0.2 1,-0.1 -4,-0.2 -0.369 82.1-112.9 -73.1 150.6 9.9 53.6 20.8 66 76 A N - 0 0 162 -2,-0.1 2,-0.4 -6,-0.1 -1,-0.1 -0.581 37.4-171.9 -77.9 142.6 8.1 56.3 22.7 67 77 A E > - 0 0 41 -2,-0.2 3,-1.9 1,-0.1 0, 0.0 -1.000 30.4-130.8-140.6 138.7 4.3 55.8 22.6 68 78 A A T 3 S+ 0 0 116 -2,-0.4 -1,-0.1 1,-0.3 -8,-0.1 0.896 107.7 51.3 -52.2 -47.1 1.5 58.1 23.9 69 79 A S T 3 S+ 0 0 15 -10,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.304 83.8 121.0 -76.6 8.9 -0.3 55.3 25.7 70 80 A K < - 0 0 51 -3,-1.9 2,-0.4 -13,-0.1 -11,-0.2 -0.610 38.0-176.3 -80.9 135.3 2.8 54.2 27.6 71 81 A Q E -M 58 0B 22 -13,-1.8 -13,-2.8 -2,-0.3 2,-0.8 -0.988 10.6-159.2-130.9 119.3 2.8 54.3 31.4 72 82 A T E -M 57 0B 98 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.859 15.9-176.2-102.9 106.1 5.9 53.4 33.5 73 83 A L E -M 56 0B 12 -17,-2.7 -17,-3.1 -2,-0.8 2,-0.3 -0.786 24.0-123.3-103.3 147.1 5.0 52.4 37.0 74 84 A E E -M 55 0B 119 -2,-0.3 25,-3.4 -19,-0.2 2,-0.6 -0.633 26.7-118.9 -84.6 144.3 7.5 51.6 39.7 75 85 A I E -N 98 0B 14 -21,-1.5 23,-0.2 -2,-0.3 3,-0.1 -0.776 22.2-168.9 -87.5 121.6 7.2 48.2 41.4 76 86 A K E - 0 0 90 21,-2.3 2,-0.3 -2,-0.6 22,-0.2 0.850 65.6 -21.7 -77.7 -38.2 6.6 48.6 45.1 77 87 A K E -N 97 0B 101 20,-1.3 20,-2.2 2,-0.0 2,-0.4 -0.947 53.7-122.3-172.4 151.3 7.2 44.9 46.0 78 88 A F E -N 96 0B 44 -2,-0.3 18,-0.2 18,-0.2 -36,-0.0 -0.844 19.3-176.0-101.4 135.9 7.3 41.3 44.6 79 89 A I E -N 95 0B 30 16,-2.7 16,-2.2 -2,-0.4 2,-0.1 -0.775 9.2-176.8-131.5 83.4 5.1 38.7 46.2 80 90 A P E -N 94 0B 35 0, 0.0 14,-0.3 0, 0.0 3,-0.1 -0.504 45.5 -81.4 -79.1 154.9 5.9 35.3 44.6 81 91 A F - 0 0 36 12,-2.3 12,-0.1 10,-0.3 145,-0.0 -0.296 57.5-101.7 -55.1 136.6 3.8 32.3 45.7 82 92 A S - 0 0 99 -3,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.238 45.5-165.5 -58.8 148.9 5.1 30.9 49.0 83 93 A R - 0 0 66 1,-0.1 3,-0.2 -3,-0.1 -1,-0.0 -0.992 35.4-179.6-148.3 138.9 7.2 27.8 48.6 84 94 A V S S+ 0 0 145 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.635 97.5 33.2-100.0 -26.0 8.6 25.1 50.9 85 95 A T S S+ 0 0 99 1,-0.1 -1,-0.2 2,-0.1 0, 0.0 -0.770 75.9 168.6-134.0 85.5 10.3 23.4 47.9 86 96 A S + 0 0 46 -2,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.840 21.0 124.4 -63.1-112.1 11.5 26.0 45.4 87 97 A D S S- 0 0 130 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.418 76.3 -40.6 62.3 152.0 13.8 24.7 42.7 88 98 A P S S+ 0 0 89 0, 0.0 119,-0.1 0, 0.0 4,-0.0 -0.099 121.5 18.8 -47.1 136.0 13.0 25.1 38.9 89 99 A Q S S+ 0 0 50 117,-0.2 79,-0.2 1,-0.1 2,-0.1 0.996 86.9 112.4 64.6 83.1 9.4 24.6 37.9 90 100 A S S S- 0 0 28 77,-0.1 3,-0.2 82,-0.0 -1,-0.1 -0.495 88.6 -19.0 177.4 106.7 7.1 24.8 40.9 91 101 A N S S+ 0 0 22 1,-0.2 2,-2.1 -2,-0.1 -10,-0.3 0.911 73.1 178.4 55.1 45.7 4.5 27.5 41.7 92 102 A D + 0 0 12 -51,-0.1 2,-0.3 -50,-0.1 -1,-0.2 -0.483 36.5 111.3 -79.8 70.4 6.2 29.8 39.2 93 103 A I - 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