==== 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 22-JAN-08 2ZGH . COMPND 2 MOLECULE: GRANZYME M; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.F.WU,L.WANG,G.Q.HUA,K.LIU,Y.J.ZHAI,F.SUN,Z.S.FAN . 237 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 66.7 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 . 80 33.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 3 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 . 2 0.8 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 . 25 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 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 . 4 2 5 3 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 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 1 A I > 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 122.6 -15.3 -23.1 21.4 2 2 A I B 3 -A 176 0A 18 174,-3.3 174,-1.7 1,-0.2 127,-0.1 -0.820 360.0 -0.3 -91.3 124.9 -14.0 -26.6 20.8 3 3 A G T 3 S+ 0 0 46 -2,-0.5 -1,-0.2 125,-0.5 2,-0.1 0.779 100.8 131.0 72.2 27.4 -10.2 -26.8 20.4 4 4 A G < - 0 0 16 -3,-0.5 2,-0.3 172,-0.1 137,-0.2 -0.327 53.5-105.7-101.9-170.8 -9.5 -23.1 20.9 5 5 A R E -B 140 0B 194 135,-2.3 135,-2.6 -2,-0.1 2,-0.2 -0.898 27.7-105.9-123.1 143.6 -7.1 -21.2 23.1 6 6 A E E -B 139 0B 97 -2,-0.3 133,-0.3 133,-0.2 2,-0.1 -0.473 42.9-129.7 -62.1 132.3 -7.6 -19.1 26.3 7 7 A V - 0 0 4 131,-2.1 131,-0.1 -2,-0.2 -1,-0.1 -0.436 27.3 -92.3 -76.7 161.2 -7.3 -15.4 25.4 8 8 A I > - 0 0 131 1,-0.1 3,-2.3 -2,-0.1 4,-0.2 -0.606 63.6 -89.6 -63.6 128.2 -5.1 -13.0 27.1 9 9 A P T 3 S- 0 0 65 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 -0.194 106.1 -2.5 -51.0 125.4 -7.3 -11.5 29.8 10 10 A H T 3 S+ 0 0 53 46,-0.3 47,-0.1 2,-0.1 -2,-0.0 0.629 90.3 128.6 69.5 15.5 -9.2 -8.4 28.6 11 11 A S S < S+ 0 0 51 -3,-2.3 -1,-0.1 1,-0.3 3,-0.1 0.562 77.4 43.8 -75.1 -10.3 -7.5 -8.5 25.3 12 12 A R S > S+ 0 0 7 -4,-0.2 3,-1.9 89,-0.1 -1,-0.3 -0.606 70.4 170.5-133.9 73.7 -11.0 -8.4 23.7 13 13 A P T 3 + 0 0 27 0, 0.0 90,-1.5 0, 0.0 42,-0.3 0.529 69.2 69.9 -71.0 -8.4 -12.7 -5.6 25.7 14 14 A Y T 3 S+ 0 0 18 88,-0.2 16,-2.7 90,-0.1 91,-0.2 0.490 74.0 119.0 -80.7 -8.6 -15.7 -5.5 23.3 15 15 A M E < -J 29 0C 5 -3,-1.9 40,-0.7 14,-0.2 2,-0.4 -0.397 42.5-171.4 -67.2 134.0 -16.9 -9.0 24.5 16 16 A A E -JK 28 54C 0 12,-2.1 12,-1.5 -2,-0.2 2,-0.6 -0.921 14.5-149.2-120.5 144.4 -20.3 -9.3 26.2 17 17 A S E -JK 27 53C 0 36,-1.9 36,-2.3 -2,-0.4 2,-0.6 -0.980 10.9-151.8-109.1 114.2 -21.8 -12.3 27.9 18 18 A L E -JK 26 52C 0 8,-2.9 7,-3.0 -2,-0.6 8,-1.4 -0.796 26.6-177.8 -81.8 120.6 -25.6 -12.4 27.6 19 19 A Q E -JK 24 51C 20 32,-2.9 32,-3.0 -2,-0.6 2,-0.5 -0.896 28.0-151.9-129.4 146.7 -26.8 -14.3 30.6 20 20 A R E > S-JK 23 50C 102 3,-2.9 3,-1.9 -2,-0.3 30,-0.2 -0.982 88.0 -17.9-115.8 119.0 -30.1 -15.5 32.0 21 21 A N T 3 S- 0 0 112 28,-2.1 -1,-0.2 -2,-0.5 29,-0.1 0.925 130.9 -49.1 49.0 50.9 -30.1 -15.8 35.8 22 22 A G T 3 S+ 0 0 62 27,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.326 115.5 117.5 75.1 -8.1 -26.3 -15.7 36.0 23 23 A S E < -J 20 0C 75 -3,-1.9 -3,-2.9 1,-0.0 -1,-0.2 -0.854 68.6-118.7-100.9 122.1 -26.0 -18.4 33.3 24 24 A H E +J 19 0C 16 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.243 38.0 164.5 -54.0 138.4 -24.2 -17.6 30.0 25 25 A L E - 0 0 33 -7,-3.0 2,-0.3 1,-0.5 157,-0.2 0.674 59.5 -10.8-126.2 -48.8 -26.4 -17.9 26.9 26 26 A a E -J 18 0C 1 -8,-1.4 -8,-2.9 155,-0.1 -1,-0.5 -0.972 63.2-112.4-152.0 159.1 -24.7 -16.1 24.0 27 27 A G E -J 17 0C 1 155,-2.4 12,-0.4 -2,-0.3 2,-0.3 -0.358 31.7-170.6 -82.1 173.5 -21.8 -13.8 23.3 28 28 A G E -J 16 0C 0 -12,-1.5 -12,-2.1 10,-0.1 2,-0.5 -0.965 19.2-126.7-152.5 167.8 -22.2 -10.2 22.1 29 29 A V E -JL 15 37C 0 8,-3.0 8,-3.9 -2,-0.3 2,-0.6 -0.991 19.5-132.2-121.2 126.7 -20.2 -7.3 20.8 30 30 A L E + L 0 36C 0 -16,-2.7 75,-2.9 -2,-0.5 6,-0.3 -0.634 32.6 168.3 -69.4 115.2 -20.3 -3.9 22.4 31 31 A V E + 0 0 17 4,-2.2 76,-0.2 -2,-0.6 5,-0.2 0.337 66.0 11.8-114.0 5.4 -20.7 -1.6 19.3 32 32 A H E > S- L 0 35C 19 3,-1.1 3,-1.0 74,-0.1 -1,-0.3 -0.948 86.5 -97.0-173.0 154.0 -21.5 1.6 21.2 33 33 A P T 3 S+ 0 0 27 0, 0.0 63,-3.3 0, 0.0 61,-0.1 0.717 127.5 29.8 -55.6 -17.8 -21.4 2.8 24.9 34 34 A K T 3 S+ 0 0 74 61,-0.2 58,-2.9 1,-0.1 2,-0.4 0.405 114.1 70.1-119.1 2.1 -25.1 1.9 25.2 35 35 A W E < -LM 32 91C 15 -3,-1.0 -4,-2.2 56,-0.2 -3,-1.1 -0.983 48.9-167.5-136.9 129.2 -25.5 -1.0 22.6 36 36 A V E -LM 30 90C 0 54,-2.0 54,-3.0 -2,-0.4 2,-0.4 -0.945 18.2-145.9-107.1 128.8 -24.5 -4.7 22.3 37 37 A L E +LM 29 89C 0 -8,-3.9 -8,-3.0 -2,-0.4 2,-0.3 -0.826 35.9 147.8 -90.0 134.1 -24.8 -6.4 18.9 38 38 A T E - M 0 88C 1 50,-2.4 50,-2.4 -2,-0.4 2,-0.3 -0.851 50.5 -66.9-150.9-176.1 -25.7 -10.1 19.2 39 39 A A > - 0 0 0 -12,-0.4 3,-1.5 -2,-0.3 48,-0.3 -0.649 34.6-137.6 -85.2 136.0 -27.7 -12.8 17.4 40 40 A A G > S+ 0 0 0 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.846 100.2 65.2 -61.5 -35.2 -31.5 -12.5 17.3 41 41 A H G > S+ 0 0 25 1,-0.3 3,-0.8 2,-0.1 -1,-0.3 0.655 88.8 72.6 -66.8 -10.3 -32.1 -16.2 18.1 42 42 A a G < S+ 0 0 1 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.544 86.8 62.7 -74.3 -10.0 -30.6 -15.5 21.5 43 43 A L G < + 0 0 22 -3,-1.9 2,-3.2 1,-0.1 -1,-0.2 0.257 56.8 116.4-109.1 5.5 -33.6 -13.5 22.7 44 44 A A < + 0 0 85 -3,-0.8 2,-0.3 -4,-0.1 -1,-0.1 -0.243 68.8 95.9 -60.0 48.2 -36.2 -16.3 22.5 45 45 A Q S S- 0 0 54 -2,-3.2 2,-0.9 5,-0.0 5,-0.1 -0.915 92.7 -88.8-139.8 159.9 -36.3 -15.6 26.3 46 46 A R > - 0 0 199 -2,-0.3 3,-1.8 1,-0.2 4,-0.2 -0.708 37.3-153.9 -68.3 106.9 -38.1 -13.7 29.1 47 47 A M G > S+ 0 0 75 -2,-0.9 3,-1.9 1,-0.3 21,-0.3 0.759 85.6 77.0 -55.4 -31.8 -36.1 -10.5 29.1 48 48 A A G 3 S+ 0 0 88 1,-0.3 -1,-0.3 19,-0.1 -2,-0.0 0.714 101.6 41.3 -51.1 -22.1 -36.9 -9.8 32.7 49 49 A Q G < S+ 0 0 84 -3,-1.8 -28,-2.1 2,-0.0 2,-0.3 0.355 94.5 101.9-113.0 0.0 -34.2 -12.4 33.5 50 50 A L E < +K 20 0C 2 -3,-1.9 18,-0.5 -30,-0.2 2,-0.3 -0.690 43.0 177.4 -91.2 139.3 -31.6 -11.4 31.0 51 51 A R E -K 19 0C 82 -32,-3.0 -32,-2.9 -2,-0.3 2,-0.5 -0.952 23.0-137.9-130.0 156.2 -28.4 -9.4 31.8 52 52 A L E -KN 18 66C 0 14,-2.2 14,-2.8 -2,-0.3 2,-0.5 -0.973 19.8-162.1-108.9 127.0 -25.4 -8.3 29.8 53 53 A V E -KN 17 65C 4 -36,-2.3 -36,-1.9 -2,-0.5 3,-0.3 -0.956 7.2-167.1-117.4 127.5 -22.0 -8.6 31.5 54 54 A L E +KN 16 64C 1 10,-2.8 10,-2.6 -2,-0.5 -38,-0.1 -0.716 60.0 27.4-112.4 153.7 -18.9 -6.7 30.3 55 55 A G S S+ 0 0 14 -40,-0.7 8,-0.2 -42,-0.3 -1,-0.2 0.643 81.3 151.5 76.7 14.3 -15.2 -6.9 31.0 56 56 A L + 0 0 7 -41,-0.3 -46,-0.3 -3,-0.3 -1,-0.2 -0.437 24.5 158.5 -77.3 149.7 -15.3 -10.6 31.8 57 57 A H S S+ 0 0 13 1,-0.5 81,-1.5 -2,-0.1 2,-0.5 0.441 76.9 45.0-119.8 -60.7 -12.5 -13.1 31.4 58 58 A T B S-P 137 0D 56 79,-0.2 -1,-0.5 1,-0.1 79,-0.2 -0.745 81.6-139.2 -81.7 130.5 -13.6 -15.8 33.9 59 59 A L S S+ 0 0 27 77,-2.8 2,-1.3 -2,-0.5 -1,-0.1 0.908 95.9 56.5 -64.0 -46.3 -17.2 -16.5 33.5 60 60 A D S S+ 0 0 130 76,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.715 90.0 92.5 -90.1 95.6 -17.9 -16.8 37.3 61 61 A S S S- 0 0 57 -2,-1.3 -5,-0.1 1,-0.1 0, 0.0 -0.889 84.2-104.4-176.4 153.6 -16.6 -13.4 38.2 62 62 A P + 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.970 47.9 163.7 -62.0 -57.8 -18.5 -10.0 38.6 63 63 A G - 0 0 35 -8,-0.2 2,-0.6 -10,-0.1 -8,-0.2 -0.217 60.8 -54.5 56.3-161.1 -17.5 -8.0 35.6 64 64 A L E -N 54 0C 84 -10,-2.6 -10,-2.8 2,-0.0 2,-0.4 -0.941 60.9-151.8-113.8 117.6 -19.8 -5.0 34.9 65 65 A T E -N 53 0C 74 -2,-0.6 2,-0.3 -12,-0.2 -12,-0.2 -0.729 13.4-176.3-102.3 133.5 -23.5 -5.9 34.7 66 66 A F E -N 52 0C 16 -14,-2.8 -14,-2.2 -2,-0.4 2,-0.2 -0.924 20.8-134.7-121.9 143.3 -26.3 -4.1 32.8 67 67 A H - 0 0 87 -2,-0.3 26,-1.7 -16,-0.2 2,-0.5 -0.582 31.8-115.3 -84.1 162.4 -30.0 -4.6 32.5 68 68 A I E -O 92 0C 14 -18,-0.5 24,-0.2 -21,-0.3 3,-0.1 -0.897 25.3-174.5-105.8 122.4 -31.5 -4.5 29.0 69 69 A K E S+ 0 0 129 22,-3.2 2,-0.3 -2,-0.5 -1,-0.1 0.797 73.5 1.1 -82.6 -29.7 -33.9 -1.7 28.2 70 70 A A E -O 91 0C 29 21,-0.7 21,-3.0 2,-0.0 2,-0.5 -0.977 52.4-152.8-160.7 144.9 -34.8 -3.0 24.8 71 71 A A E -O 90 0C 40 -2,-0.3 2,-0.8 19,-0.2 19,-0.2 -0.975 17.3-168.0-123.1 105.7 -34.0 -5.8 22.4 72 72 A I E -O 89 0C 60 17,-3.1 17,-3.1 -2,-0.5 2,-0.2 -0.901 5.6-161.6-103.6 102.7 -34.4 -4.7 18.8 73 73 A Q E -O 88 0C 80 -2,-0.8 15,-0.3 15,-0.3 13,-0.1 -0.580 39.6 -86.2 -73.6 145.2 -34.4 -7.8 16.5 74 74 A H > - 0 0 9 13,-2.8 3,-1.9 11,-0.3 -1,-0.1 -0.263 39.9-119.7 -52.0 139.4 -33.7 -7.1 12.8 75 75 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.733 112.5 41.7 -55.5 -28.5 -37.0 -6.2 11.1 76 76 A R T 3 S+ 0 0 162 9,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.058 79.7 146.7-112.2 25.9 -36.7 -9.2 8.7 77 77 A Y < - 0 0 41 -3,-1.9 8,-0.2 10,-0.1 9,-0.1 -0.386 25.7-171.5 -60.0 127.9 -35.4 -11.7 11.2 78 78 A K B -Q 84 0E 106 6,-2.4 6,-1.2 -2,-0.1 -2,-0.1 -0.987 12.2-146.2-124.0 121.9 -36.7 -15.2 10.3 79 79 A P > - 0 0 72 0, 0.0 3,-0.7 0, 0.0 5,-0.3 -0.044 46.9 -14.0 -76.4-178.6 -36.0 -17.9 12.9 80 80 A V T 3 S+ 0 0 73 1,-0.3 3,-0.0 3,-0.1 156,-0.0 -0.197 120.5 35.6 -52.5 146.6 -35.2 -21.6 12.2 81 81 A P T 3 S+ 0 0 112 0, 0.0 2,-0.8 0, 0.0 -1,-0.3 -0.936 135.2 30.3 -70.0 -32.9 -35.5 -23.3 9.7 82 82 A A S < S- 0 0 26 -3,-0.7 2,-1.2 1,-0.1 78,-0.0 -0.830 75.2-167.5 -87.8 111.0 -34.6 -20.2 7.7 83 83 A L + 0 0 0 -2,-0.8 3,-0.5 -6,-0.1 2,-0.3 -0.534 24.3 164.9 -98.2 68.2 -32.3 -18.3 10.1 84 84 A E B +Q 78 0E 70 -6,-1.2 -6,-2.4 -2,-1.2 3,-0.2 -0.653 57.6 2.8 -91.6 142.9 -32.2 -15.1 8.1 85 85 A N S S- 0 0 29 -2,-0.3 2,-2.3 -8,-0.2 -11,-0.3 0.930 75.1-173.4 58.9 50.9 -31.1 -11.7 9.4 86 86 A D + 0 0 0 -3,-0.5 2,-0.3 -9,-0.1 -1,-0.2 -0.417 36.7 115.8 -86.0 66.2 -30.1 -13.2 12.7 87 87 A L + 0 0 0 -2,-2.3 -13,-2.8 -48,-0.3 2,-0.3 -0.986 35.8 178.7-137.1 141.6 -29.2 -10.0 14.5 88 88 A A E -MO 38 73C 0 -50,-2.4 -50,-2.4 -2,-0.3 2,-0.5 -0.989 18.5-144.5-136.9 146.9 -30.5 -8.1 17.5 89 89 A L E -MO 37 72C 0 -17,-3.1 -17,-3.1 -2,-0.3 2,-0.5 -0.958 16.7-155.8-111.9 130.0 -29.3 -4.9 19.1 90 90 A L E -MO 36 71C 0 -54,-3.0 -54,-2.0 -2,-0.5 2,-0.6 -0.899 7.2-141.3-110.8 126.2 -29.6 -4.7 22.9 91 91 A Q E -MO 35 70C 46 -21,-3.0 -22,-3.2 -2,-0.5 -21,-0.7 -0.753 16.3-137.1 -93.2 123.8 -29.8 -1.4 24.8 92 92 A L E - 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