==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAR-03 1OP8 . COMPND 2 MOLECULE: GRANZYME A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.HINK-SCHAUER,E.ESTEBANEZ-PERPINA,W.BODE,D.JENNE . 1404 6 27 24 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 861 61.3 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 . 435 31.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 26 1.9 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 . 9 0.6 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 . 135 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 2 0 0 0 0 0 1 4 1 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 . 25 11 22 24 13 6 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 6 6 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 130.2 26.3 -11.7 5.9 2 17 A I B +A 178 0A 15 176,-2.7 176,-2.1 126,-0.2 126,-0.1 -0.944 360.0 14.4-118.1 135.9 26.6 -11.3 9.7 3 18 A G S S+ 0 0 45 -2,-0.4 139,-0.3 174,-0.2 -1,-0.2 0.705 105.2 101.8 78.9 20.7 25.9 -14.1 12.1 4 19 A G - 0 0 12 -3,-0.2 2,-0.3 137,-0.1 137,-0.2 -0.235 64.0-112.8-115.4-154.5 26.0 -16.8 9.5 5 20 A N E -B 140 0B 121 135,-2.0 135,-2.3 -2,-0.1 2,-0.4 -0.975 32.1 -92.4-145.1 157.6 28.5 -19.4 8.2 6 21 A E E -B 139 0B 101 -2,-0.3 133,-0.3 133,-0.2 132,-0.1 -0.577 47.7-135.0 -70.5 123.6 30.5 -20.2 5.0 7 22 A V - 0 0 14 131,-1.6 131,-0.1 -2,-0.4 3,-0.1 -0.206 32.0 -81.2 -74.6 169.9 28.3 -22.4 2.8 8 23 A T > - 0 0 102 1,-0.1 3,-2.6 3,-0.1 4,-0.2 -0.568 65.0 -87.5 -71.6 131.5 29.7 -25.5 1.0 9 24 A P T 3 S- 0 0 65 0, 0.0 -1,-0.1 0, 0.0 46,-0.1 -0.156 111.1 -2.7 -44.0 117.9 31.4 -24.4 -2.1 10 25 A H T 3 S+ 0 0 42 44,-0.3 45,-0.1 2,-0.1 -2,-0.1 0.703 90.0 129.2 68.7 26.4 28.8 -24.2 -4.9 11 26 A S S < S+ 0 0 41 -3,-2.6 -1,-0.1 1,-0.3 -3,-0.1 0.399 75.6 47.6 -88.6 3.1 26.0 -25.5 -2.7 12 27 A R > + 0 0 64 -4,-0.2 3,-2.8 89,-0.1 -1,-0.3 -0.422 69.9 172.5-138.2 56.9 23.8 -22.5 -3.7 13 28 A P T 3 S+ 0 0 27 0, 0.0 90,-1.5 0, 0.0 40,-0.4 0.516 71.1 66.0 -46.8 -11.3 24.4 -22.6 -7.6 14 29 A Y T 3 S+ 0 0 33 88,-0.2 16,-1.9 90,-0.1 91,-0.2 0.617 76.0 111.2 -89.4 -13.9 21.7 -19.8 -8.1 15 30 A M E < -I 29 0C 8 -3,-2.8 2,-0.5 14,-0.2 39,-0.4 -0.372 53.6-154.8 -66.5 134.7 23.8 -17.1 -6.4 16 31 A V E -I 28 0C 0 12,-2.3 12,-1.4 -2,-0.1 2,-0.6 -0.929 4.3-149.7-114.6 129.9 25.2 -14.4 -8.5 17 32 A L E -IJ 27 51C 1 34,-2.6 34,-2.8 -2,-0.5 2,-0.7 -0.880 11.4-161.7 -98.0 121.0 28.3 -12.4 -7.5 18 33 A L E -IJ 26 50C 2 8,-2.6 8,-2.8 -2,-0.6 2,-1.1 -0.904 4.4-166.4-108.3 108.3 28.2 -8.8 -8.8 19 34 A S E +IJ 25 49C 30 30,-2.4 30,-2.1 -2,-0.7 6,-0.2 -0.807 13.5 172.4 -93.6 96.1 31.5 -7.2 -8.8 20 35 A L - 0 0 9 -2,-1.1 25,-0.4 4,-0.9 2,-0.2 0.958 59.7 -44.5 -69.8 -54.7 30.6 -3.5 -9.4 21 37 A D S S- 0 0 52 3,-2.0 -1,-0.2 -3,-0.2 28,-0.1 -0.754 73.0 -67.7-154.5-157.4 34.0 -2.0 -8.9 22 38 A R S S+ 0 0 179 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.662 129.2 38.7 -82.8 -17.6 37.0 -2.2 -6.7 23 39 A K S S+ 0 0 159 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.585 117.3 39.0-108.4 -13.9 35.2 -0.7 -3.7 24 40 A T + 0 0 56 158,-0.0 -3,-2.0 2,-0.0 -4,-0.9 -0.994 50.3 177.1-145.5 144.7 31.7 -2.3 -3.9 25 41 A I E -I 19 0C 13 -2,-0.4 159,-0.3 -6,-0.2 2,-0.2 -0.926 7.9-167.4-137.0 160.6 30.0 -5.6 -4.8 26 42 A a E -I 18 0C 7 -8,-2.8 -8,-2.6 -2,-0.3 2,-0.3 -0.778 15.4-124.9-136.7 178.3 26.4 -6.8 -4.8 27 43 A A E +I 17 0C 0 157,-3.6 12,-0.5 -2,-0.2 2,-0.3 -0.786 26.3 169.3-123.7 171.4 24.5 -10.1 -5.0 28 44 A G E -I 16 0C 0 -12,-1.4 -12,-2.3 -2,-0.3 2,-0.4 -0.937 27.4-112.1-164.7-176.7 21.8 -11.4 -7.3 29 45 A A E -IK 15 37C 0 8,-1.9 8,-2.9 -2,-0.3 2,-1.0 -0.999 21.2-128.2-136.0 136.4 19.9 -14.5 -8.4 30 46 A L E + K 0 36C 2 -16,-1.9 75,-3.3 -2,-0.4 6,-0.2 -0.741 33.8 166.9 -84.5 106.2 19.9 -16.3 -11.8 31 47 A I E + 0 0 22 4,-1.6 2,-0.3 -2,-1.0 76,-0.2 0.437 68.2 9.0 -99.8 -1.1 16.2 -16.4 -12.7 32 48 A A E > S- K 0 35C 24 3,-1.3 3,-1.5 71,-0.1 -1,-0.2 -0.964 87.7 -93.0-166.5 162.5 16.9 -17.4 -16.3 33 49 A K T 3 S+ 0 0 107 -2,-0.3 63,-1.8 1,-0.3 -1,-0.1 0.906 128.0 20.8 -51.4 -44.5 19.8 -18.5 -18.5 34 50 A D T 3 S+ 0 0 31 61,-0.2 58,-1.5 -3,-0.1 2,-0.4 -0.043 113.0 85.6-116.7 33.1 20.3 -14.9 -19.5 35 51 A W E < -KL 32 91C 9 -3,-1.5 -4,-1.6 56,-0.2 -3,-1.3 -0.978 47.4-173.9-140.4 127.0 18.6 -13.0 -16.7 36 52 A V E -KL 30 90C 0 54,-2.5 54,-3.5 -2,-0.4 2,-0.5 -0.971 13.5-150.0-120.0 130.5 19.8 -11.9 -13.3 37 53 A L E +KL 29 89C 1 -8,-2.9 -8,-1.9 -2,-0.4 2,-0.2 -0.871 34.7 143.2-100.3 124.9 17.6 -10.3 -10.6 38 54 A T E - L 0 88C 0 50,-2.8 50,-2.5 -2,-0.5 2,-0.3 -0.736 51.4 -64.5-142.7-168.7 19.3 -7.9 -8.3 39 55 A A > - 0 0 0 -12,-0.5 3,-1.1 48,-0.3 48,-0.3 -0.613 32.3-135.5 -88.2 146.1 18.7 -4.6 -6.5 40 56 A A T 3 S+ 0 0 6 -2,-0.3 -1,-0.1 1,-0.2 46,-0.1 0.858 103.7 60.2 -68.2 -33.7 18.1 -1.4 -8.4 41 57 A H T 3 S+ 0 0 36 42,-0.1 2,-1.0 2,-0.1 -1,-0.2 0.550 78.6 101.1 -73.5 -3.7 20.4 0.6 -6.1 42 58 A a S < S- 0 0 1 -3,-1.1 2,-0.3 -15,-0.1 -16,-0.1 -0.717 70.1-148.1 -82.3 103.8 23.3 -1.7 -7.1 43 59 A N - 0 0 118 -2,-1.0 2,-0.3 1,-0.0 -2,-0.1 -0.581 12.2-163.0 -79.5 130.8 25.2 0.5 -9.6 44 60 A L - 0 0 29 -2,-0.3 2,-0.3 4,-0.1 -24,-0.1 -0.838 4.3-167.3-112.3 148.2 27.0 -1.2 -12.5 45 61 A N > - 0 0 79 -25,-0.4 3,-3.5 -2,-0.3 0, 0.0 -0.819 43.7 -83.0-131.4 166.1 29.7 0.3 -14.8 46 62 A K T 3 S+ 0 0 181 1,-0.3 23,-0.1 -2,-0.3 -2,-0.0 0.703 129.3 43.1 -37.1 -31.7 31.4 -0.6 -18.0 47 63 A R T 3 S+ 0 0 165 -27,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.100 84.8 125.1-108.5 22.9 33.9 -2.8 -16.2 48 64 A S < - 0 0 5 -3,-3.5 2,-0.4 21,-0.1 21,-0.3 -0.546 46.5-150.9 -80.0 148.2 31.3 -4.5 -13.9 49 65 A Q E -J 19 0C 73 -30,-2.1 -30,-2.4 -2,-0.2 2,-0.9 -0.976 13.1-149.0-127.4 136.7 31.3 -8.3 -14.0 50 66 A V E -JM 18 67C 1 17,-1.9 17,-2.6 -2,-0.4 2,-0.5 -0.858 26.1-161.2-101.4 96.8 28.4 -10.7 -13.3 51 67 A I E -JM 17 66C 14 -34,-2.8 -34,-2.6 -2,-0.9 3,-0.3 -0.704 7.3-169.3 -89.7 124.0 30.2 -13.7 -11.9 52 68 A L E + M 0 65C 3 13,-0.7 13,-1.8 -2,-0.5 -36,-0.1 -0.671 64.1 21.9-106.7 163.2 28.4 -17.1 -11.9 53 69 A G S S+ 0 0 4 -38,-0.4 -1,-0.2 -40,-0.4 10,-0.1 0.808 90.9 151.1 52.1 36.5 29.2 -20.4 -10.2 54 70 A A + 0 0 8 -39,-0.4 -44,-0.3 -3,-0.3 -1,-0.2 -0.431 30.5 158.4 -96.6 166.4 31.4 -18.5 -7.7 55 71 A H S S+ 0 0 11 1,-0.7 83,-1.3 4,-0.2 2,-0.4 0.330 74.2 42.4-148.6 -43.1 32.4 -19.2 -4.1 56 72 A S B -O 137 0D 1 81,-0.2 -1,-0.7 3,-0.2 81,-0.2 -0.897 62.8-153.7-112.9 142.7 35.5 -17.2 -3.6 57 73 A I S S+ 0 0 43 79,-1.7 -1,-0.1 -2,-0.4 80,-0.1 0.920 95.4 27.6 -79.1 -47.3 35.9 -13.7 -5.0 58 74 A T S S+ 0 0 102 78,-0.1 -2,-0.1 2,-0.1 79,-0.0 0.984 101.6 82.4 -78.0 -65.8 39.7 -13.9 -5.3 59 75 A R S S- 0 0 175 1,-0.1 2,-0.4 77,-0.0 -3,-0.2 0.012 84.2-110.5 -43.2 147.4 40.6 -17.5 -5.8 60 76 A E - 0 0 182 2,-0.0 -1,-0.1 3,-0.0 -2,-0.1 -0.688 37.3-173.5 -86.1 133.1 40.4 -18.9 -9.3 61 77 A E > - 0 0 27 -2,-0.4 3,-1.2 -5,-0.1 -6,-0.0 -0.992 29.0-148.6-133.6 136.7 37.6 -21.4 -9.9 62 78 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.623 100.0 63.0 -75.3 -11.2 36.8 -23.5 -13.0 63 79 A T T 3 S+ 0 0 22 -10,-0.1 2,-0.3 2,-0.0 -3,-0.0 0.470 80.6 109.0 -91.0 -0.9 33.1 -23.3 -12.1 64 80 A K < - 0 0 40 -3,-1.2 2,-0.4 1,-0.1 -11,-0.2 -0.579 48.2-168.7 -81.6 136.7 33.1 -19.6 -12.6 65 81 A Q E -M 52 0C 27 -13,-1.8 -13,-0.7 -2,-0.3 2,-0.3 -0.725 11.9-155.7-124.2 80.6 31.3 -18.1 -15.5 66 82 A I E -M 51 0C 98 -2,-0.4 -15,-0.2 -15,-0.2 2,-0.2 -0.379 22.4-179.5 -59.5 116.0 32.2 -14.4 -15.8 67 83 A M E -M 50 0C 20 -17,-2.6 -17,-1.9 -2,-0.3 2,-0.3 -0.579 20.0-137.4-113.9 177.0 29.5 -12.6 -17.6 68 84 A L - 0 0 88 -19,-0.2 25,-2.3 -2,-0.2 2,-0.5 -0.975 24.1-111.1-135.3 147.6 28.7 -9.1 -18.8 69 85 A V E -N 92 0C 41 -2,-0.3 23,-0.3 -21,-0.3 3,-0.1 -0.676 21.5-172.7 -83.6 123.7 25.5 -7.0 -18.7 70 86 A K E S- 0 0 139 21,-3.6 2,-0.3 -2,-0.5 22,-0.2 0.824 74.3 -9.1 -81.8 -32.8 24.0 -6.4 -22.1 71 87 A K E -N 91 0C 112 20,-1.3 20,-2.0 2,-0.0 2,-0.3 -0.901 65.3-126.8-167.2 134.7 21.3 -4.0 -20.7 72 88 A E E -N 90 0C 70 -2,-0.3 18,-0.2 18,-0.2 16,-0.0 -0.660 14.8-168.3 -88.6 138.6 20.0 -2.9 -17.3 73 89 A F E -N 89 0C 45 16,-2.5 16,-2.6 -2,-0.3 156,-0.1 -0.684 12.4-175.2-124.4 78.8 16.2 -3.1 -16.5 74 90 A P E -N 88 0C 66 0, 0.0 14,-0.3 0, 0.0 12,-0.1 -0.368 44.1 -85.1 -71.0 154.0 15.6 -1.2 -13.3 75 91 A Y > - 0 0 20 12,-2.9 3,-2.1 10,-0.2 12,-0.1 -0.430 37.2-137.6 -59.5 119.0 12.1 -1.2 -11.8 76 92 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 236,-0.0 0.770 102.0 40.2 -50.6 -28.9 10.3 1.6 -13.6 77 93 A b T 3 S+ 0 0 37 8,-0.1 2,-0.4 2,-0.1 -2,-0.1 -0.051 81.4 140.4-114.3 32.9 8.7 2.8 -10.4 78 94 A Y < - 0 0 50 -3,-2.1 7,-0.2 9,-0.1 8,-0.1 -0.624 39.4-153.0 -77.8 129.1 11.6 2.3 -8.1 79 95 A D B >> -P 84 0E 13 5,-2.5 5,-1.2 -2,-0.4 4,-0.7 -0.887 8.4-167.0-108.1 104.5 11.9 5.1 -5.5 80 96 A P T 45S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.681 84.4 64.3 -63.1 -17.5 15.5 5.6 -4.4 81 97 A A T 45S+ 0 0 87 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.929 121.3 17.1 -72.5 -45.6 14.3 7.8 -1.5 82 98 A T T 45S- 0 0 14 -3,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.151 102.0-120.0-111.4 15.0 12.5 5.1 0.3 83 99 A R T ><5 + 0 0 78 -4,-0.7 3,-0.8 1,-0.2 2,-0.2 0.739 56.2 166.8 52.6 22.0 14.1 2.2 -1.5 84 100 A E B 3 < +P 79 0E 42 -5,-1.2 -5,-2.5 1,-0.3 -1,-0.2 -0.456 63.6 4.4 -69.5 136.6 10.6 1.4 -2.6 85 101 A G T 3 S- 0 0 5 -7,-0.2 2,-1.3 1,-0.2 -1,-0.3 0.955 82.1-177.9 51.4 55.9 10.5 -1.2 -5.4 86 102 A D < + 0 0 0 -3,-0.8 2,-0.3 -8,-0.1 -1,-0.2 -0.709 28.9 126.3 -88.3 89.5 14.2 -1.6 -5.3 87 103 A L - 0 0 0 -2,-1.3 -12,-2.9 -48,-0.3 2,-0.3 -0.998 33.5-177.2-150.3 149.4 14.7 -4.1 -8.1 88 104 A K E -LN 38 74C 8 -50,-2.5 -50,-2.8 -2,-0.3 2,-0.5 -0.949 15.0-149.3-151.9 126.6 16.7 -4.5 -11.3 89 105 A L E -LN 37 73C 0 -16,-2.6 -16,-2.5 -2,-0.3 2,-0.5 -0.835 15.4-154.9 -95.9 129.5 16.8 -7.2 -14.0 90 106 A L E -LN 36 72C 0 -54,-3.5 -54,-2.5 -2,-0.5 2,-0.5 -0.925 1.7-153.5-107.9 123.3 20.2 -7.6 -15.7 91 107 A Q E -LN 35 71C 39 -20,-2.0 -21,-3.6 -2,-0.5 -20,-1.3 -0.835 17.8-138.0 -94.1 126.3 20.2 -9.1 -19.2 92 108 A L E - N 0 69C 3 -58,-1.5 -23,-0.2 -2,-0.5 3,-0.1 -0.600 12.3-130.2 -87.1 146.0 23.4 -10.9 -20.0 93 109 A T S S+ 0 0 70 -25,-2.3 2,-0.3 -2,-0.2 -1,-0.1 0.787 98.1 21.7 -59.8 -29.5 25.3 -10.5 -23.3 94 110 A E S S- 0 0 132 -26,-0.4 -26,-0.1 -61,-0.1 -1,-0.1 -0.994 88.7-108.2-141.9 147.2 25.4 -14.3 -23.4 95 111 A K - 0 0 130 -2,-0.3 -61,-0.2 1,-0.1 -62,-0.1 -0.366 39.3-112.2 -73.0 152.7 23.4 -17.1 -21.7 96 112 A A - 0 0 7 -63,-1.8 2,-1.0 -64,-0.1 -1,-0.1 -0.362 22.4-108.5 -84.4 164.7 24.9 -19.2 -18.9 97 113 A K - 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