==== 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 1MZD . 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) . 13032.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 28.3 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 . 3 1.2 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 . 23 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.5 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 . 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 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 . 2 2 4 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 0 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 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 0 246 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -53.7 3.6 23.5 4.2 2 15 A E + 0 0 165 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.034 360.0 69.4 -84.3-168.4 6.5 23.9 6.7 3 16 A I + 0 0 157 1,-0.1 2,-0.3 -2,-0.0 0, 0.0 0.724 51.9 166.5 63.0 125.2 7.7 27.0 8.5 4 17 A I + 0 0 130 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.912 3.1 141.8-169.0 139.0 5.5 28.5 11.2 5 18 A G - 0 0 49 -2,-0.3 143,-0.2 1,-0.1 180,-0.0 -0.881 45.2 -57.7-160.2-168.3 5.8 31.0 14.0 6 19 A G - 0 0 21 -2,-0.3 2,-0.3 141,-0.1 141,-0.2 -0.221 41.0-140.0 -81.1 173.8 4.3 33.8 16.0 7 20 A K E -A 146 0A 164 139,-1.9 139,-2.4 -2,-0.0 2,-0.3 -0.991 20.6-108.0-138.2 144.7 2.9 37.2 14.7 8 21 A E E -A 145 0A 99 -2,-0.3 137,-0.3 137,-0.3 136,-0.1 -0.548 43.2-128.5 -71.4 130.9 3.1 40.7 16.0 9 22 A V - 0 0 15 135,-2.2 135,-0.1 -2,-0.3 3,-0.1 -0.255 30.9 -78.8 -80.9 165.8 -0.3 41.9 17.2 10 23 A S > - 0 0 90 1,-0.1 3,-1.7 2,-0.1 4,-0.2 -0.465 69.3 -89.5 -63.5 118.1 -2.4 44.9 16.4 11 24 A P T 3 S- 0 0 72 0, 0.0 -1,-0.1 0, 0.0 50,-0.1 0.070 108.1 -0.8 -33.1 120.4 -0.8 47.7 18.5 12 25 A H T 3 S+ 0 0 35 48,-0.2 -2,-0.1 -3,-0.1 49,-0.1 0.783 87.0 132.1 65.9 30.2 -2.5 47.8 21.9 13 26 A S S < S+ 0 0 41 -3,-1.7 -1,-0.1 1,-0.2 -3,-0.1 0.523 72.2 51.9 -87.6 -5.3 -4.9 45.0 21.2 14 27 A R > + 0 0 69 -4,-0.2 3,-3.4 93,-0.1 -1,-0.2 -0.428 68.7 173.8-126.1 56.2 -4.0 43.4 24.5 15 28 A P T 3 S+ 0 0 17 0, 0.0 94,-1.5 0, 0.0 44,-0.3 0.526 73.9 62.8 -42.1 -11.5 -4.6 46.4 26.9 16 29 A F T 3 S+ 0 0 20 92,-0.2 16,-2.3 94,-0.1 95,-0.2 0.665 77.3 111.6 -93.0 -18.0 -3.9 44.2 29.9 17 30 A M B < -H 31 0B 8 -3,-3.4 42,-0.5 14,-0.2 2,-0.3 -0.167 45.2-171.6 -59.3 148.5 -0.3 43.3 29.0 18 31 A A - 0 0 0 12,-1.5 2,-0.5 40,-0.1 12,-0.5 -1.000 17.3-140.4-144.9 142.3 2.5 44.5 31.2 19 32 A S E -L 57 0C 2 38,-2.3 38,-2.4 -2,-0.3 2,-0.5 -0.896 12.0-148.3-105.3 127.3 6.3 44.5 31.0 20 33 A I E -LM 56 28C 2 8,-2.7 7,-2.9 -2,-0.5 8,-1.3 -0.814 26.8-169.9 -90.6 132.9 8.3 43.9 34.1 21 34 A Q E -LM 55 26C 17 34,-2.9 34,-3.1 -2,-0.5 2,-0.6 -0.987 25.7-162.3-136.5 138.5 11.5 45.8 33.8 22 35 A Y E > S-LM 54 25C 13 3,-2.4 3,-1.2 -2,-0.4 31,-0.2 -0.958 90.7 -10.5-113.1 115.3 14.8 46.0 35.7 23 37 A G T 3 S- 0 0 37 30,-1.5 -1,-0.2 -2,-0.6 3,-0.1 0.883 131.7 -55.1 64.1 37.4 16.8 49.2 34.9 24 38 A G T 3 S+ 0 0 47 29,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.520 113.4 120.9 74.6 3.4 14.4 49.9 32.1 25 39 A H E < -M 22 0C 108 -3,-1.2 -3,-2.4 -6,-0.0 -1,-0.2 -0.884 66.3-119.6-106.2 130.9 15.0 46.5 30.5 26 40 A H E +M 21 0C 13 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.426 39.8 160.1 -65.9 132.9 12.1 44.1 29.9 27 41 A V E + 0 0 56 -7,-2.9 2,-0.3 1,-0.3 161,-0.2 0.565 59.2 5.5-126.1 -21.6 12.6 40.8 31.8 28 42 A a E -M 20 0C 3 -8,-1.3 -8,-2.7 161,-0.1 -1,-0.3 -0.993 60.9-111.1-160.6 167.0 9.1 39.4 31.9 29 43 A G + 0 0 0 161,-4.3 12,-0.3 -2,-0.3 2,-0.3 -0.388 32.7 171.4 -93.5 174.6 5.4 39.5 31.0 30 44 A G - 0 0 0 -12,-0.5 -12,-1.5 10,-0.1 2,-0.4 -0.959 26.7-125.4-172.4 167.0 2.5 40.1 33.4 31 45 A V E -HI 17 39B 0 8,-1.6 8,-1.7 -2,-0.3 2,-0.4 -0.963 18.8-133.6-134.3 116.7 -1.2 40.7 33.4 32 46 A L E + I 0 38B 0 -16,-2.3 79,-1.9 -2,-0.4 6,-0.2 -0.520 34.4 162.8 -66.1 120.8 -2.9 43.7 35.0 33 47 A I E + 0 0 20 4,-1.9 80,-0.2 1,-0.4 -1,-0.2 0.339 63.7 16.1-124.3 2.2 -5.8 42.3 37.0 34 48 A D E > S- I 0 37B 65 3,-0.9 3,-2.8 75,-0.1 -1,-0.4 -0.882 90.3 -92.6-172.4 141.5 -6.6 45.2 39.4 35 49 A P T 3 S+ 0 0 42 0, 0.0 67,-2.3 0, 0.0 65,-0.1 0.670 124.2 23.1 -30.8 -33.8 -5.7 48.9 39.5 36 50 A Q T 3 S+ 0 0 47 65,-0.2 62,-1.6 1,-0.1 2,-0.3 0.025 111.3 77.0-130.9 32.7 -2.7 48.3 41.7 37 51 A W E < -IJ 34 97B 24 -3,-2.8 -4,-1.9 60,-0.2 -3,-0.9 -0.979 48.5-167.4-148.8 131.9 -1.7 44.6 41.1 38 52 A V E -IJ 32 96B 0 58,-2.6 58,-3.6 -2,-0.3 2,-0.6 -0.902 14.9-143.4-117.5 144.9 0.1 42.7 38.3 39 53 A L E +IJ 31 95B 0 -8,-1.7 -8,-1.6 -2,-0.4 2,-0.3 -0.930 37.5 141.1-111.1 121.1 0.1 38.9 38.0 40 54 A T E - J 0 94B 0 54,-2.7 54,-3.6 -2,-0.6 -10,-0.1 -0.908 54.8 -71.5-148.8 173.7 3.3 37.3 36.8 41 55 A A - 0 0 0 -12,-0.3 3,-0.3 -2,-0.3 52,-0.2 -0.362 35.1-136.3 -67.0 152.9 5.7 34.3 37.2 42 56 A A S > S+ 0 0 24 1,-0.2 3,-1.5 2,-0.1 -1,-0.1 0.755 100.8 73.2 -81.0 -26.8 7.7 34.4 40.4 43 57 A H T 3 S+ 0 0 113 1,-0.3 -1,-0.2 46,-0.1 162,-0.0 0.814 82.7 76.7 -51.7 -32.9 10.8 33.4 38.5 44 58 A a T 3 + 0 0 7 -3,-0.3 2,-0.7 -15,-0.1 -1,-0.3 0.243 69.8 93.0 -66.2 7.2 10.7 36.9 37.2 45 59 A Q S < S- 0 0 58 -3,-1.5 2,-0.4 -18,-0.0 -1,-0.1 -0.876 71.1-143.1-110.1 102.5 12.0 38.5 40.4 46 60 A Y - 0 0 116 -2,-0.7 3,-0.2 1,-0.2 -2,-0.1 -0.497 17.3-175.7 -65.8 118.0 15.8 38.9 40.2 47 60AA R + 0 0 158 -2,-0.4 2,-0.7 1,-0.2 -1,-0.2 0.582 67.0 78.6 -91.2 -14.8 17.1 38.3 43.7 48 60BA F S S+ 0 0 140 2,-0.0 2,-0.3 3,-0.0 -1,-0.2 -0.271 89.1 63.6 -91.4 48.4 20.8 39.0 43.0 49 60CA T - 0 0 39 -2,-0.7 0, 0.0 -3,-0.2 0, 0.0 -0.884 46.0-174.6-169.2 133.2 20.3 42.8 43.2 50 60DA K S S+ 0 0 208 -2,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.510 89.2 43.1-102.5 -14.8 19.2 45.3 45.8 51 61 A G + 0 0 43 2,-0.1 -2,-0.1 -3,-0.1 -28,-0.0 0.091 58.9 102.2-104.5-144.2 19.3 47.9 43.1 52 62 A Q S S- 0 0 98 1,-0.1 -28,-0.1 -30,-0.1 -29,-0.1 0.995 81.9-109.6 57.6 74.3 18.2 48.0 39.4 53 63 A S - 0 0 80 -31,-0.2 -30,-1.5 1,-0.1 -29,-0.6 -0.047 31.7-136.4 -38.0 107.1 15.0 50.0 39.9 54 64 A P E +L 22 0C 39 0, 0.0 21,-1.0 0, 0.0 2,-0.3 -0.557 32.7 173.8 -72.6 129.2 12.2 47.5 39.2 55 65 A T E -LN 21 74C 16 -34,-3.1 -34,-2.9 -2,-0.3 2,-0.4 -0.988 26.7-140.7-142.8 149.6 9.4 49.1 37.1 56 66 A V E -LN 20 73C 0 17,-2.1 17,-2.3 -2,-0.3 2,-0.5 -0.915 14.4-156.1-110.6 134.2 6.2 48.1 35.4 57 67 A V E +LN 19 72C 10 -38,-2.4 -38,-2.3 -2,-0.4 3,-0.2 -0.944 14.8 178.5-115.8 124.3 5.3 49.3 31.9 58 68 A L E + N 0 71C 0 13,-2.7 13,-1.8 -2,-0.5 -40,-0.1 -0.647 57.2 31.0-115.9 171.5 1.7 49.5 30.7 59 69 A G S S+ 0 0 3 -42,-0.5 2,-0.3 -44,-0.3 10,-0.2 0.806 87.3 137.0 51.1 37.1 -0.1 50.6 27.6 60 70 A A + 0 0 15 -43,-0.3 -48,-0.2 -3,-0.2 -1,-0.2 -0.825 34.9 170.0-117.2 153.0 2.9 49.7 25.4 61 71 A H S S+ 0 0 12 1,-0.4 83,-1.0 -2,-0.3 2,-0.5 0.652 77.6 46.7-118.6 -51.8 3.3 48.0 22.0 62 72 A S B -O 143 0D 2 81,-0.2 -1,-0.4 3,-0.1 81,-0.2 -0.845 65.8-153.8 -98.2 127.1 7.0 48.7 21.3 63 73 A L S S+ 0 0 32 79,-2.9 -1,-0.1 -2,-0.5 80,-0.1 0.769 96.0 34.4 -68.0 -24.1 9.5 48.0 24.1 64 74 A S S S+ 0 0 94 78,-0.1 -1,-0.1 2,-0.1 79,-0.0 0.904 101.4 73.9 -95.9 -55.2 11.8 50.6 22.5 65 75 A K S S- 0 0 139 1,-0.1 -4,-0.2 77,-0.0 -3,-0.1 -0.194 83.4-106.1 -64.6 151.4 9.8 53.5 20.9 66 76 A N - 0 0 149 -6,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.328 39.2-167.7 -72.4 163.9 8.0 56.2 22.9 67 77 A E > - 0 0 38 3,-0.1 3,-0.6 1,-0.1 -1,-0.0 -0.919 34.3-138.3-161.8 130.8 4.3 56.0 23.1 68 78 A A T 3 S+ 0 0 118 -2,-0.3 -8,-0.1 1,-0.2 -1,-0.1 0.620 108.2 52.5 -60.2 -12.8 1.4 58.2 24.2 69 79 A S T 3 S+ 0 0 13 -10,-0.2 -1,-0.2 38,-0.0 -9,-0.2 0.782 80.8 109.4 -95.0 -32.2 -0.1 55.1 25.8 70 80 A K < - 0 0 53 -3,-0.6 2,-0.4 -13,-0.1 -11,-0.3 -0.123 43.7-171.6 -52.5 141.9 2.8 53.8 27.9 71 81 A Q E -N 58 0C 19 -13,-1.8 -13,-2.7 2,-0.0 2,-0.7 -0.981 6.7-159.8-136.5 117.4 2.6 54.1 31.7 72 82 A T E +N 57 0C 92 -2,-0.4 -15,-0.2 -15,-0.2 2,-0.2 -0.879 17.2 173.2-105.3 115.2 5.5 53.4 34.0 73 83 A L E -N 56 0C 19 -17,-2.3 -17,-2.1 -2,-0.7 2,-0.4 -0.628 27.4-116.4-110.7 170.9 4.7 52.6 37.6 74 84 A E E -N 55 0C 93 -2,-0.2 25,-3.2 -19,-0.2 2,-0.3 -0.913 25.6-111.6-115.2 140.7 6.9 51.4 40.5 75 85 A I E -K 98 0B 20 -21,-1.0 23,-0.3 -2,-0.4 3,-0.1 -0.492 23.3-171.2 -69.4 124.0 6.7 48.2 42.4 76 86 A K E S- 0 0 104 21,-4.5 2,-0.3 -2,-0.3 22,-0.2 0.913 70.4 -19.7 -80.4 -46.8 5.6 48.6 46.0 77 87 A K E -K 97 0B 100 20,-1.3 20,-1.6 2,-0.0 2,-0.5 -0.895 60.1-124.4-165.8 132.3 6.3 45.0 47.1 78 88 A F E -K 96 0B 47 -2,-0.3 18,-0.2 18,-0.2 -36,-0.0 -0.687 20.5-165.3 -81.6 126.5 6.7 41.6 45.3 79 89 A I E +K 95 0B 37 16,-3.0 16,-3.4 -2,-0.5 2,-0.2 -0.881 14.7 179.5-114.3 96.5 4.3 39.0 46.7 80 90 A P E -K 94 0B 28 0, 0.0 14,-0.2 0, 0.0 4,-0.1 -0.559 42.0-112.1 -91.7 161.5 5.6 35.6 45.4 81 91 A F S S+ 0 0 56 12,-1.4 2,-0.3 10,-0.4 13,-0.1 0.667 100.2 75.8 -69.4 -13.9 3.9 32.3 46.3 82 92 A S S S- 0 0 41 11,-0.1 2,-0.8 2,-0.1 4,-0.1 -0.679 89.5-117.6 -95.2 151.9 6.9 31.4 48.4 83 93 A R S S- 0 0 208 -2,-0.3 2,-2.9 -4,-0.1 3,-0.4 -0.801 74.5 -50.8 -94.2 107.8 7.5 32.9 51.8 84 94 A V S S- 0 0 142 -2,-0.8 -2,-0.1 1,-0.2 -1,-0.1 -0.363 126.5 -21.1 67.3 -71.0 10.8 34.9 51.8 85 95 A T S S+ 0 0 88 -2,-2.9 -1,-0.2 2,-0.0 -3,-0.0 0.542 85.7 139.4-129.4 -70.4 12.8 32.0 50.3 86 96 A S S S- 0 0 52 -3,-0.4 -4,-0.1 1,-0.1 -2,-0.0 -0.144 78.2 -21.4 52.5-145.1 11.3 28.5 50.7 87 97 A D - 0 0 129 1,-0.1 2,-3.0 3,-0.0 -1,-0.1 -0.828 56.8-157.4-101.0 100.0 11.5 26.2 47.7 88 98 A P S S+ 0 0 90 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.199 70.6 83.8 -71.0 51.8 12.0 28.3 44.5 89 99 A Q S S+ 0 0 144 -2,-3.0 -46,-0.1 1,-0.2 3,-0.0 0.362 82.6 18.2-116.8-110.2 10.7 25.4 42.4 90 100 A S S S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.167 100.5 60.0 -54.3-176.8 7.0 24.7 41.8 91 101 A N - 0 0 58 1,-0.2 2,-2.6 -3,-0.1 -10,-0.4 0.834 63.4-179.2 60.1 38.1 4.3 27.4 42.3 92 102 A D + 0 0 20 -51,-0.1 2,-0.3 -50,-0.1 -1,-0.2 -0.395 38.0 114.4 -69.6 74.2 5.9 29.7 39.8 93 103 A I + 0 0 0 -2,-2.6 -12,-1.4 -52,-0.2 2,-0.3 -0.989 39.1 178.7-148.0 134.2 3.3 32.4 40.3 94 104 A M E -JK 40 80B 2 -54,-3.6 -54,-2.7 -2,-0.3 2,-0.5 -0.956 23.5-140.2-141.6 157.3 3.6 35.9 41.7 95 105 A L E -JK 39 79B 0 -16,-3.4 -16,-3.0 -2,-0.3 2,-0.6 -0.969 16.9-152.1-116.8 119.3 1.7 39.1 42.5 96 106 A V E -JK 38 78B 0 -58,-3.6 -58,-2.6 -2,-0.5 2,-0.6 -0.822 8.6-151.5 -93.8 124.4 3.4 42.4 41.8 97 107 A K E -JK 37 77B 13 -20,-1.6 -21,-4.5 -2,-0.6 -20,-1.3 -0.859 13.7-147.4 -98.1 119.3 2.2 45.3 44.1 98 108 A L E - 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