==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JAN-09 3FZZ . COMPND 2 MOLECULE: GRANZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.M.BUCKLE,D.KAISERMAN,J.C.WHISSTOCK . 454 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 65.6 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 . 154 33.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 53 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 4 0 0 0 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 . 10 4 2 10 4 2 2 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 2 2 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 21 A I > 0 0 0 0, 0.0 3,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 122.0 19.0 -13.4 -8.2 2 22 A I B 3 +A 177 0A 25 175,-2.6 175,-1.8 1,-0.2 130,-0.2 -0.672 360.0 5.3 -89.8 137.7 20.8 -11.1 -10.6 3 23 A G T 3 S+ 0 0 45 128,-0.8 -1,-0.2 -2,-0.3 2,-0.1 0.745 107.2 105.8 63.8 26.2 21.0 -7.3 -10.0 4 24 A G < - 0 0 34 -3,-0.6 2,-0.3 127,-0.2 140,-0.2 -0.264 63.6-112.6-110.4-155.2 19.2 -7.5 -6.7 5 25 A N E -B 143 0B 79 138,-2.0 138,-2.5 -2,-0.1 2,-0.4 -0.858 30.8 -91.9-134.5 166.6 20.2 -7.2 -3.1 6 26 A E E -B 142 0B 102 -2,-0.3 136,-0.2 136,-0.2 135,-0.1 -0.738 51.9-127.0 -76.3 132.4 20.5 -9.4 0.0 7 27 A I - 0 0 5 134,-2.2 -1,-0.1 -2,-0.4 3,-0.1 -0.249 27.8 -87.2 -73.5 163.6 17.2 -9.1 1.9 8 28 A S > - 0 0 83 1,-0.1 3,-2.3 2,-0.0 4,-0.2 -0.639 65.5 -96.7 -60.2 119.0 16.6 -8.2 5.5 9 29 A P T 3 S+ 0 0 76 0, 0.0 49,-0.1 0, 0.0 -1,-0.1 -0.163 104.2 4.5 -49.1 136.7 16.9 -11.6 7.1 10 30 A H T 3 S+ 0 0 64 47,-0.3 48,-0.1 2,-0.1 -2,-0.0 0.563 89.5 123.0 66.7 13.3 13.5 -13.3 7.7 11 31 A S S < S+ 0 0 63 -3,-2.3 -1,-0.1 1,-0.3 3,-0.0 0.522 79.8 43.7 -80.7 -4.6 11.6 -10.4 5.9 12 32 A R S > S+ 0 0 25 -4,-0.2 3,-2.1 92,-0.1 -1,-0.3 -0.522 73.6 174.3-130.3 72.3 10.2 -13.0 3.6 13 33 A P T 3 S+ 0 0 31 0, 0.0 93,-1.3 0, 0.0 43,-0.2 0.435 70.0 64.0 -66.2 -0.1 9.3 -15.8 6.1 14 34 A Y T 3 S+ 0 0 23 91,-0.2 20,-2.7 93,-0.1 94,-0.2 0.531 72.0 119.6 -97.4 -13.1 7.6 -18.0 3.4 15 35 A M E < -I 33 0C 3 -3,-2.1 41,-0.7 18,-0.2 2,-0.4 -0.320 47.3-159.4 -61.9 135.1 10.7 -18.7 1.3 16 36 A A E -IJ 32 55C 0 16,-2.6 2,-0.8 39,-0.1 16,-0.7 -0.964 15.4-147.4-121.0 129.9 11.7 -22.3 1.1 17 37 A Y E -IJ 31 54C 29 37,-2.8 37,-2.6 -2,-0.4 2,-0.7 -0.886 24.9-162.6 -94.4 109.6 15.1 -23.7 0.2 18 38 A Y E -IJ 30 53C 0 12,-2.7 12,-2.2 -2,-0.8 2,-0.4 -0.860 5.6-167.7-107.7 108.0 14.2 -26.9 -1.6 19 39 A E E +IJ 29 52C 70 33,-2.9 33,-3.0 -2,-0.7 2,-0.3 -0.782 13.3 161.1 -97.4 137.9 16.9 -29.5 -2.0 20 40 A F E -I 28 0C 17 8,-1.9 8,-3.4 -2,-0.4 2,-0.5 -0.972 34.7-118.5-146.0 160.2 16.9 -32.6 -4.3 21 41 A L E -IJ 27 49C 61 28,-2.9 28,-2.7 -2,-0.3 6,-0.2 -0.901 23.4-140.7-102.7 123.4 19.4 -35.0 -5.8 22 42 A K - 0 0 38 4,-2.6 3,-0.2 -2,-0.5 26,-0.1 -0.425 50.1 -66.1 -71.4 155.2 19.7 -35.3 -9.6 23 43 A V S S+ 0 0 32 288,-0.3 2,-1.0 1,-0.2 3,-0.3 -0.059 122.8 22.5 -43.4 137.8 20.2 -38.8 -11.0 24 44 A G S S- 0 0 18 1,-0.2 -1,-0.2 362,-0.2 406,-0.1 -0.733 129.4 -61.9 100.6 -81.8 23.6 -40.2 -10.0 25 45 A G S S+ 0 0 39 -2,-1.0 -1,-0.2 -3,-0.2 -2,-0.1 0.339 81.4 132.0-162.4 -46.6 24.3 -38.2 -6.9 26 46 A K - 0 0 122 -3,-0.3 -4,-2.6 -5,-0.2 2,-0.4 0.110 49.3-132.0 -46.3 124.6 24.7 -34.4 -7.3 27 47 A K E +I 21 0C 57 -6,-0.2 2,-0.2 -8,-0.0 -6,-0.2 -0.626 32.5 174.2 -75.9 126.2 22.7 -32.2 -4.8 28 48 A M E -I 20 0C 47 -8,-3.4 -8,-1.9 -2,-0.4 2,-0.3 -0.734 11.2-153.4-119.9 172.2 20.8 -29.4 -6.5 29 49 A F E -I 19 0C 16 -2,-0.2 2,-0.3 -10,-0.2 -10,-0.2 -0.978 11.9-176.7-145.3 163.2 18.3 -26.8 -5.2 30 50 A a E -I 18 0C 0 -12,-2.2 -12,-2.7 -2,-0.3 153,-0.2 -0.938 30.7-104.8-141.9 166.3 15.4 -24.6 -6.2 31 51 A G E +I 17 0C 1 153,-2.4 12,-0.4 151,-0.3 2,-0.3 -0.325 40.1 159.3 -78.8 171.3 13.2 -22.0 -4.5 32 52 A G E -I 16 0C 0 -16,-0.7 -16,-2.6 10,-0.1 2,-0.3 -0.932 25.9-128.4-170.8-177.2 9.7 -22.5 -3.2 33 53 A F E -IK 15 41C 0 8,-2.0 8,-2.8 -2,-0.3 -18,-0.2 -0.994 21.1-110.3-148.7 144.0 7.3 -20.9 -0.8 34 54 A L E + K 0 40C 3 -20,-2.7 74,-3.3 -2,-0.3 6,-0.2 -0.490 36.0 164.4 -67.7 133.1 5.1 -22.0 2.1 35 55 A V E + 0 0 3 4,-2.4 2,-0.2 1,-0.5 5,-0.2 0.686 68.1 5.7-118.1 -35.3 1.3 -21.8 1.4 36 56 A R E > S- K 0 39C 104 3,-1.3 3,-1.0 73,-0.1 -1,-0.5 -0.813 90.9 -85.9-138.1 177.9 -0.2 -23.9 4.1 37 57 A D T 3 S+ 0 0 90 1,-0.3 62,-3.2 -2,-0.2 60,-0.1 0.844 126.3 23.1 -59.7 -38.7 1.2 -25.7 7.2 38 58 A K T 3 S+ 0 0 82 60,-0.2 57,-2.6 187,-0.1 2,-0.4 0.240 112.9 87.0-110.8 10.5 2.3 -28.9 5.5 39 59 A F E < +KL 36 94C 18 -3,-1.0 -4,-2.4 55,-0.2 -3,-1.3 -0.949 44.2 179.6-128.6 130.3 2.6 -27.5 2.0 40 60 A V E -KL 34 93C 0 53,-2.0 53,-3.0 -2,-0.4 2,-0.3 -0.949 19.9-143.8-118.5 142.5 5.3 -25.8 -0.1 41 61 A L E +KL 33 92C 0 -8,-2.8 -8,-2.0 -2,-0.4 2,-0.3 -0.820 32.6 144.6-106.7 147.3 4.8 -24.7 -3.6 42 62 A T E - L 0 91C 0 49,-2.4 49,-2.7 -2,-0.3 2,-0.3 -0.866 50.2 -65.0-161.0-170.8 7.5 -24.9 -6.3 43 63 A A > - 0 0 0 -12,-0.4 3,-1.7 -2,-0.3 47,-0.2 -0.728 33.8-133.6 -96.4 143.2 8.2 -25.5 -9.9 44 64 A A T 3 S+ 0 0 1 -2,-0.3 -1,-0.1 1,-0.3 45,-0.1 0.779 103.4 64.0 -68.1 -23.3 7.5 -29.0 -11.4 45 65 A H T 3 S+ 0 0 22 1,-0.1 2,-1.1 41,-0.1 -1,-0.3 0.426 80.1 85.7 -80.2 -1.0 10.8 -29.0 -13.3 46 66 A a < + 0 0 1 -3,-1.7 2,-0.4 -15,-0.1 -1,-0.1 -0.786 67.6 147.9 -95.4 85.7 12.6 -29.0 -9.9 47 67 A K + 0 0 79 -2,-1.1 2,-0.3 -27,-0.1 -27,-0.1 -0.958 7.7 109.4-130.4 140.0 12.4 -32.7 -9.6 48 68 A G - 0 0 3 -2,-0.4 3,-0.3 -26,-0.1 -26,-0.2 -0.976 56.4 -62.0 176.6-173.9 14.8 -35.3 -8.0 49 69 A R E S+J 21 0C 42 -28,-2.7 -28,-2.9 263,-0.3 -24,-0.0 -0.412 101.0 26.7 -90.8 166.3 15.5 -37.7 -5.1 50 70 A S E S- 0 0 84 -30,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.857 81.1-155.4 49.8 49.2 15.8 -37.1 -1.3 51 71 A M E + 0 0 35 -3,-0.3 21,-2.7 21,-0.1 2,-0.3 -0.296 18.0 176.9 -62.5 127.6 13.6 -34.0 -1.4 52 72 A T E -JM 19 71C 36 -33,-3.0 -33,-2.9 19,-0.2 2,-0.5 -0.980 17.8-158.9-137.3 142.9 14.2 -31.6 1.5 53 73 A V E -JM 18 70C 0 17,-2.3 17,-3.3 -2,-0.3 2,-0.5 -0.986 1.2-165.6-126.2 119.3 12.8 -28.2 2.5 54 74 A T E -JM 17 69C 2 -37,-2.6 -37,-2.8 -2,-0.5 2,-0.3 -0.941 15.1-174.4 -98.7 125.3 14.6 -25.8 4.8 55 75 A L E +JM 16 68C 0 13,-2.6 13,-3.0 -2,-0.5 -39,-0.1 -0.861 61.2 34.2-114.7 155.5 12.3 -23.0 6.0 56 76 A G S S+ 0 0 4 -41,-0.7 2,-0.2 48,-0.4 -1,-0.1 0.663 85.5 145.1 79.7 20.2 13.2 -19.9 8.1 57 77 A A + 0 0 7 -42,-0.4 -1,-0.3 -3,-0.2 -47,-0.3 -0.610 25.1 156.9 -94.4 145.8 16.5 -19.6 6.4 58 78 A H S S+ 0 0 9 1,-0.3 83,-1.6 -2,-0.2 2,-0.8 0.477 87.4 31.5-123.4 -56.4 18.5 -16.6 5.5 59 79 A N B > S-O 140 0D 40 81,-0.2 3,-1.2 1,-0.1 -1,-0.3 -0.910 76.1-169.4 -95.6 104.2 22.0 -17.9 5.4 60 80 A I T 3 S+ 0 0 29 79,-1.7 -1,-0.1 -2,-0.8 80,-0.1 0.750 82.0 53.5 -71.5 -20.5 21.3 -21.5 4.2 61 81 A K T 3 S+ 0 0 85 78,-0.5 2,-0.4 -3,-0.1 -1,-0.3 0.476 98.4 79.6 -93.4 -3.2 24.8 -22.7 4.8 62 82 A A S < S- 0 0 38 -3,-1.2 2,-0.9 77,-0.2 -4,-0.1 -0.829 89.8-111.6-104.0 143.3 24.8 -21.5 8.5 63 83 A K - 0 0 112 -2,-0.4 2,-0.5 3,-0.0 -2,-0.1 -0.623 44.7-177.5 -71.0 106.9 23.2 -23.3 11.4 64 84 A E > - 0 0 46 -2,-0.9 3,-1.7 1,-0.1 -2,-0.0 -0.945 32.0-142.3-114.4 127.7 20.3 -20.9 12.2 65 85 A E T 3 S+ 0 0 116 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.758 103.8 59.8 -54.6 -26.8 17.9 -21.5 15.2 66 86 A T T 3 S+ 0 0 45 -10,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.688 85.3 103.5 -74.6 -22.1 15.1 -20.2 12.9 67 87 A Q < - 0 0 31 -3,-1.7 2,-0.5 -13,-0.1 -11,-0.2 -0.417 50.6-168.4 -69.3 132.9 15.7 -22.9 10.3 68 88 A Q E -M 55 0C 11 -13,-3.0 -13,-2.6 -2,-0.2 2,-0.8 -0.975 6.0-162.0-119.1 112.8 13.3 -25.9 10.1 69 89 A I E +M 54 0C 98 -2,-0.5 -15,-0.3 -15,-0.2 -2,-0.0 -0.842 18.1 178.2 -98.1 104.8 14.7 -28.6 7.8 70 90 A I E -M 53 0C 0 -17,-3.3 -17,-2.3 -2,-0.8 -2,-0.1 -0.917 25.6-128.7-115.8 124.9 11.8 -30.8 6.9 71 91 A P E -M 52 0C 63 0, 0.0 25,-2.1 0, 0.0 2,-0.3 -0.342 26.8-119.8 -61.6 148.1 11.9 -33.9 4.6 72 92 A V E -N 95 0C 20 -21,-2.7 23,-0.3 23,-0.2 3,-0.1 -0.719 21.4-169.5 -85.3 141.0 9.3 -34.0 1.8 73 93 A A E S+ 0 0 61 21,-3.5 2,-0.3 1,-0.4 22,-0.2 0.754 71.0 3.2 -95.7 -32.3 6.9 -36.9 1.8 74 94 A K E -N 94 0C 111 20,-1.4 20,-2.5 2,-0.0 2,-0.5 -0.981 56.1-150.2-158.6 134.6 5.3 -36.5 -1.6 75 95 A A E -N 93 0C 30 -2,-0.3 18,-0.2 18,-0.2 -28,-0.0 -0.978 13.6-167.3-109.6 127.7 5.8 -34.2 -4.6 76 96 A I E -N 92 0C 38 16,-3.4 16,-2.6 -2,-0.5 2,-0.2 -0.895 6.6-169.0-117.9 95.4 2.6 -33.6 -6.6 77 97 A P E -N 91 0C 59 0, 0.0 14,-0.2 0, 0.0 12,-0.1 -0.528 41.9 -85.9 -79.9 154.6 3.3 -31.9 -9.9 78 98 A H > - 0 0 21 12,-2.4 3,-2.7 10,-0.3 12,-0.1 -0.418 38.2-129.1 -63.9 130.8 0.4 -30.6 -12.0 79 99 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 9,-0.0 0.673 106.3 51.7 -61.8 -16.9 -0.9 -33.5 -14.0 80 100 A D T 3 S+ 0 0 113 8,-0.1 7,-0.1 2,-0.0 -2,-0.1 0.311 80.0 138.1 -99.7 9.3 -0.8 -31.5 -17.3 81 101 A Y < - 0 0 41 -3,-2.7 7,-0.2 7,-0.1 8,-0.1 -0.225 36.2-161.6 -53.1 137.9 2.9 -30.4 -16.7 82 102 A N B >>> -P 87 0E 51 5,-1.9 4,-1.6 1,-0.1 5,-0.9 -0.945 15.7-164.8-130.8 113.7 5.0 -30.6 -19.9 83 103 A P T 345S+ 0 0 43 0, 0.0 168,-0.3 0, 0.0 3,-0.1 0.878 86.5 67.2 -63.8 -38.2 8.8 -30.6 -19.7 84 104 A D T 345S+ 0 0 53 1,-0.2 193,-0.3 192,-0.1 168,-0.0 0.870 127.7 5.5 -47.7 -46.0 9.2 -29.7 -23.4 85 105 A D T <45S- 0 0 39 -3,-0.5 -1,-0.2 191,-0.1 167,-0.1 0.285 98.0-117.6-122.7 9.3 7.7 -26.2 -22.9 86 106 A R T ><5 + 0 0 39 -4,-1.6 3,-0.7 1,-0.2 2,-0.3 0.835 49.4 172.5 45.7 41.2 7.3 -26.0 -19.1 87 107 A S B 3 < +P 82 0E 17 -5,-0.9 -5,-1.9 1,-0.2 -1,-0.2 -0.601 68.4 10.3 -67.3 135.8 3.5 -25.7 -19.3 88 108 A N T 3 S- 0 0 26 -2,-0.3 2,-1.8 -7,-0.2 -10,-0.3 0.943 81.4-179.4 54.2 52.5 1.8 -25.9 -15.9 89 109 A D < + 0 0 0 -3,-0.7 2,-0.3 -8,-0.1 123,-0.2 -0.584 34.9 117.4 -86.3 72.6 5.2 -25.7 -14.2 90 110 A I + 0 0 0 -2,-1.8 -12,-2.4 -47,-0.2 2,-0.3 -0.997 37.0 179.9-143.9 138.5 3.8 -25.9 -10.7 91 111 A M E -LN 42 77C 5 -49,-2.7 -49,-2.4 -2,-0.3 2,-0.4 -0.999 18.1-143.1-144.4 138.4 4.3 -28.5 -8.0 92 112 A L E -LN 41 76C 0 -16,-2.6 -16,-3.4 -2,-0.3 2,-0.6 -0.847 11.4-156.6 -97.5 135.8 3.1 -29.1 -4.4 93 113 A L E -LN 40 75C 0 -53,-3.0 -53,-2.0 -2,-0.4 2,-0.7 -0.955 5.1-153.9-113.2 111.8 5.4 -30.6 -1.8 94 114 A K E -LN 39 74C 8 -20,-2.5 -21,-3.5 -2,-0.6 -20,-1.4 -0.777 18.4-140.4 -82.8 117.1 3.7 -32.3 1.1 95 115 A L E - 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