==== 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 2ZGJ . 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 . 238 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 65.1 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 . 79 33.2 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 . 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 . 19 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.2 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 . 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 3 4 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 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.9 15.3 -22.9 -2.6 2 2 A I B 3 +A 176 0A 18 174,-3.5 174,-1.0 1,-0.2 127,-0.1 -0.768 360.0 3.4 -90.9 133.6 13.9 -26.5 -2.1 3 3 A G T 3 S+ 0 0 39 125,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.780 100.8 137.7 63.8 29.1 10.1 -26.6 -1.7 4 4 A G < - 0 0 3 -3,-0.5 2,-0.4 172,-0.1 137,-0.2 -0.417 49.8-113.6-101.0 177.1 9.6 -22.9 -2.4 5 5 A R E -B 140 0B 183 135,-2.7 135,-2.1 -2,-0.1 2,-0.1 -0.894 27.2-106.7-117.3 144.8 7.2 -20.9 -4.5 6 6 A E E -B 139 0B 104 -2,-0.4 133,-0.2 133,-0.2 2,-0.2 -0.403 41.2-125.2 -58.3 131.9 7.6 -18.8 -7.6 7 7 A V - 0 0 2 131,-1.8 131,-0.1 50,-0.1 3,-0.1 -0.518 30.2 -94.2 -75.8 148.0 7.4 -15.1 -6.7 8 8 A I > - 0 0 134 -2,-0.2 3,-2.0 1,-0.1 4,-0.2 -0.527 67.3 -88.3 -50.5 121.7 4.9 -12.9 -8.4 9 9 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 -0.179 106.7 0.4 -46.3 127.7 7.3 -11.5 -11.1 10 10 A H T 3 S+ 0 0 75 46,-0.3 47,-0.1 2,-0.1 -2,-0.1 0.660 88.4 127.3 68.9 18.8 9.2 -8.4 -10.0 11 11 A S S < S+ 0 0 59 -3,-2.0 -1,-0.1 1,-0.3 3,-0.1 0.504 76.0 47.4 -83.1 -3.8 7.6 -8.4 -6.5 12 12 A R > + 0 0 17 -4,-0.2 3,-2.4 89,-0.1 -1,-0.3 -0.506 68.5 167.0-132.2 67.4 11.1 -8.2 -4.9 13 13 A P T 3 + 0 0 29 0, 0.0 90,-0.9 0, 0.0 42,-0.3 0.549 69.1 70.1 -67.8 -7.4 12.7 -5.5 -7.0 14 14 A Y T 3 S+ 0 0 23 88,-0.2 16,-3.0 90,-0.1 2,-0.2 0.513 76.7 117.4 -85.5 -3.9 15.7 -5.2 -4.6 15 15 A M E < -J 29 0C 4 -3,-2.4 40,-0.8 14,-0.2 41,-0.4 -0.439 42.4-173.3 -72.7 129.6 16.9 -8.7 -5.7 16 16 A A E -JK 28 54C 0 12,-2.1 12,-1.2 -2,-0.2 2,-0.5 -0.896 15.8-149.3-114.8 146.8 20.3 -9.1 -7.4 17 17 A S E -JK 27 53C 0 36,-1.8 36,-2.3 -2,-0.3 2,-0.5 -0.988 12.8-149.9-108.2 122.5 21.8 -12.2 -9.0 18 18 A L E -JK 26 52C 0 8,-3.2 7,-3.0 -2,-0.5 8,-1.4 -0.855 25.4-166.7 -89.4 128.6 25.7 -12.3 -8.8 19 19 A Q E -JK 24 51C 20 32,-3.5 32,-2.3 -2,-0.5 2,-0.6 -0.953 24.9-155.4-131.4 136.4 26.9 -14.2 -11.8 20 20 A R E > S-JK 23 50C 120 3,-2.4 3,-1.7 -2,-0.4 30,-0.2 -0.936 87.9 -18.1-106.8 116.1 30.2 -15.7 -13.0 21 21 A N T 3 S- 0 0 110 28,-2.8 -1,-0.2 -2,-0.6 29,-0.1 0.886 129.8 -50.1 53.8 42.1 30.4 -16.0 -16.8 22 22 A G T 3 S+ 0 0 59 27,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.411 116.6 115.5 77.3 -1.3 26.6 -15.5 -17.2 23 23 A S E < S-J 20 0C 74 -3,-1.7 -3,-2.4 1,-0.0 -1,-0.2 -0.908 73.1-108.8-104.7 124.8 25.9 -18.3 -14.6 24 24 A H E +J 19 0C 16 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.143 42.9 162.7 -49.8 130.5 24.1 -17.5 -11.3 25 25 A L E - 0 0 13 -7,-3.0 2,-0.3 1,-0.4 157,-0.2 0.750 58.4 -10.5-117.9 -53.4 26.4 -17.8 -8.3 26 26 A a E -J 18 0C 0 -8,-1.4 -8,-3.2 213,-0.1 -1,-0.4 -0.955 62.4-112.0-147.6 159.1 24.8 -16.0 -5.3 27 27 A G E -J 17 0C 0 155,-2.5 12,-0.5 -2,-0.3 2,-0.3 -0.459 33.1-178.1 -82.0 171.1 21.8 -13.7 -4.4 28 28 A G E -J 16 0C 0 -12,-1.2 -12,-2.1 -2,-0.2 2,-0.4 -0.945 20.5-129.1-158.9 166.7 22.3 -10.1 -3.3 29 29 A V E -JL 15 37C 0 8,-2.2 8,-3.8 -2,-0.3 2,-0.7 -0.999 18.8-129.1-128.0 130.1 20.1 -7.2 -2.1 30 30 A L E + L 0 36C 0 -16,-3.0 75,-3.1 -2,-0.4 6,-0.2 -0.721 34.3 165.8 -73.3 118.5 20.3 -3.7 -3.5 31 31 A V E + 0 0 2 4,-1.6 76,-0.2 -2,-0.7 5,-0.2 0.342 66.5 20.4-121.0 0.8 20.6 -1.4 -0.5 32 32 A H E > S- L 0 35C 29 3,-1.1 3,-1.2 74,-0.1 -1,-0.3 -0.953 88.4-100.9-161.6 151.6 21.7 1.8 -2.3 33 33 A P T 3 S+ 0 0 36 0, 0.0 63,-2.7 0, 0.0 3,-0.0 0.739 124.7 30.8 -47.0 -23.7 21.4 3.0 -5.9 34 34 A K T 3 S+ 0 0 88 61,-0.2 58,-3.1 194,-0.1 2,-0.4 0.377 113.6 66.3-116.7 1.4 25.2 2.0 -6.4 35 35 A W E < -LM 32 91C 16 -3,-1.2 -4,-1.6 56,-0.2 -3,-1.1 -0.984 50.2-164.1-137.5 134.4 25.6 -1.0 -4.0 36 36 A V E -LM 30 90C 0 54,-2.2 54,-2.9 -2,-0.4 2,-0.5 -0.944 19.1-144.1-109.2 136.6 24.4 -4.6 -3.6 37 37 A L E +LM 29 89C 0 -8,-3.8 -8,-2.2 -2,-0.4 2,-0.2 -0.898 35.4 148.8 -99.5 133.7 25.0 -6.3 -0.2 38 38 A T E - M 0 88C 1 50,-2.3 50,-2.2 -2,-0.5 2,-0.3 -0.742 49.3 -63.0-146.8-171.9 25.8 -10.0 -0.4 39 39 A A > - 0 0 0 -12,-0.5 3,-1.2 48,-0.3 48,-0.4 -0.638 36.1-135.3 -85.2 136.1 27.7 -12.8 1.4 40 40 A A G > S+ 0 0 0 -2,-0.3 3,-1.8 1,-0.2 47,-0.1 0.849 101.3 61.8 -58.8 -35.9 31.5 -12.4 1.6 41 41 A H G > S+ 0 0 12 1,-0.3 3,-1.2 2,-0.1 -1,-0.2 0.729 90.3 72.0 -67.2 -18.1 32.2 -16.1 0.7 42 42 A a G < S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.502 88.8 62.7 -68.2 -6.1 30.6 -15.4 -2.7 43 43 A L G < + 0 0 21 -3,-1.8 2,-2.4 1,-0.1 -1,-0.2 0.262 60.0 113.6-114.4 7.8 33.6 -13.3 -3.8 44 44 A A < + 0 0 83 -3,-1.2 2,-0.3 2,-0.1 -1,-0.1 -0.423 69.0 92.8 -72.1 61.1 36.1 -16.0 -3.6 45 45 A Q S S- 0 0 58 -2,-2.4 2,-1.0 5,-0.0 3,-0.1 -0.891 93.2 -77.6-148.7 167.4 36.4 -15.5 -7.4 46 46 A R > - 0 0 177 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 -0.727 40.8-156.7 -71.9 102.2 38.0 -13.8 -10.4 47 47 A M G > S+ 0 0 78 -2,-1.0 3,-1.9 1,-0.2 21,-0.2 0.840 86.6 70.2 -51.0 -39.7 36.2 -10.5 -10.1 48 48 A A G 3 S+ 0 0 79 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.787 101.5 45.9 -50.4 -28.8 36.9 -9.8 -13.9 49 49 A Q G < S+ 0 0 85 -3,-1.4 -28,-2.8 -28,-0.0 -27,-0.3 0.369 94.9 98.7 -99.7 2.4 34.3 -12.6 -14.7 50 50 A L E < +K 20 0C 1 -3,-1.9 18,-0.4 -30,-0.2 2,-0.3 -0.668 43.7 174.0 -93.7 144.0 31.5 -11.5 -12.2 51 51 A R E -K 19 0C 82 -32,-2.3 -32,-3.5 -2,-0.3 2,-0.4 -0.968 25.0-135.7-140.4 156.4 28.4 -9.4 -13.0 52 52 A L E -KN 18 66C 0 14,-2.2 14,-3.0 -2,-0.3 2,-0.5 -0.975 19.0-163.2-110.7 131.8 25.4 -8.2 -11.0 53 53 A V E -KN 17 65C 4 -36,-2.3 -36,-1.8 -2,-0.4 3,-0.3 -0.964 8.0-169.6-122.2 119.8 22.1 -8.5 -12.8 54 54 A L E +KN 16 64C 1 10,-2.7 10,-2.7 -2,-0.5 -38,-0.2 -0.708 59.4 34.3-108.9 154.4 19.0 -6.6 -11.5 55 55 A G S S+ 0 0 13 -40,-0.8 -1,-0.2 -42,-0.3 8,-0.2 0.686 81.7 149.0 80.8 18.2 15.3 -6.7 -12.3 56 56 A L + 0 0 8 -41,-0.4 -46,-0.3 -3,-0.3 -1,-0.2 -0.452 28.4 158.5 -83.1 155.3 15.2 -10.5 -13.0 57 57 A H S S+ 0 0 15 1,-0.6 81,-2.2 -2,-0.1 2,-0.5 0.399 79.4 42.2-126.1 -57.7 12.6 -13.1 -12.6 58 58 A T B S-P 137 0D 54 79,-0.2 -1,-0.6 1,-0.1 3,-0.3 -0.825 74.5-143.7 -88.1 129.4 13.7 -15.7 -15.0 59 59 A L S S+ 0 0 29 77,-1.9 2,-1.7 -2,-0.5 -1,-0.1 0.828 95.2 73.5 -57.5 -34.3 17.4 -16.3 -14.9 60 60 A D S S+ 0 0 150 76,-0.5 -1,-0.3 -3,-0.0 3,-0.1 -0.227 85.5 82.3 -77.8 48.2 17.2 -16.9 -18.6 61 61 A S S S- 0 0 51 -2,-1.7 -5,-0.0 -3,-0.3 0, 0.0 -0.983 84.1-111.1-148.9 158.5 16.7 -13.2 -19.5 62 62 A P + 0 0 115 0, 0.0 -1,-0.2 0, 0.0 -6,-0.1 0.961 47.0 168.9 -51.3 -59.0 18.8 -10.0 -20.0 63 63 A G - 0 0 31 -8,-0.2 2,-0.6 -10,-0.1 -8,-0.2 0.007 57.3 -54.9 52.8-177.3 17.7 -8.1 -16.9 64 64 A L E -N 54 0C 83 -10,-2.7 -10,-2.7 2,-0.0 2,-0.4 -0.787 63.8-152.8 -98.4 115.1 19.8 -5.0 -16.2 65 65 A T E -N 53 0C 74 -2,-0.6 2,-0.4 -12,-0.2 -12,-0.2 -0.718 13.2-174.3-103.1 137.6 23.5 -5.8 -15.9 66 66 A F E -N 52 0C 18 -14,-3.0 -14,-2.2 -2,-0.4 2,-0.2 -0.959 19.8-136.9-123.2 139.5 26.3 -4.1 -14.0 67 67 A H - 0 0 89 -2,-0.4 26,-2.0 -16,-0.2 2,-0.4 -0.490 33.2-116.2 -78.3 164.1 30.1 -4.6 -13.8 68 68 A I E -O 92 0C 20 -18,-0.4 24,-0.2 -21,-0.2 3,-0.1 -0.918 25.5-174.5-111.8 129.1 31.5 -4.4 -10.3 69 69 A K E S+ 0 0 133 22,-3.1 2,-0.3 -2,-0.4 -1,-0.1 0.801 73.3 3.4 -90.7 -34.2 34.0 -1.6 -9.5 70 70 A A E -O 91 0C 27 21,-0.8 21,-3.1 2,-0.0 2,-0.5 -0.995 51.1-154.3-156.9 150.9 34.7 -2.8 -6.0 71 71 A A E -O 90 0C 36 -2,-0.3 2,-0.7 19,-0.2 19,-0.2 -0.992 16.3-167.7-128.5 109.8 34.0 -5.7 -3.6 72 72 A I E -O 89 0C 65 17,-3.3 17,-3.4 -2,-0.5 2,-0.3 -0.913 6.3-161.0-110.8 98.2 34.4 -4.6 0.1 73 73 A Q E -O 88 0C 78 -2,-0.7 15,-0.3 15,-0.3 13,-0.1 -0.610 41.5 -86.3 -69.4 139.9 34.3 -7.7 2.4 74 74 A H > - 0 0 10 13,-2.8 3,-2.1 11,-0.3 -1,-0.1 -0.226 43.2-117.9 -45.0 132.8 33.5 -6.9 6.1 75 75 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.647 112.9 41.8 -51.1 -22.3 37.0 -6.0 7.6 76 76 A R T 3 S+ 0 0 153 9,-0.1 8,-0.1 2,-0.1 -2,-0.1 0.058 78.5 148.2-118.4 27.9 36.7 -8.9 10.0 77 77 A Y < - 0 0 40 -3,-2.1 8,-0.2 10,-0.1 9,-0.1 -0.365 28.4-165.1 -55.4 130.5 35.4 -11.5 7.6 78 78 A K B -Q 84 0E 108 6,-2.6 6,-1.7 3,-0.0 5,-0.1 -0.996 13.3-136.1-124.5 123.3 36.7 -14.9 8.7 79 79 A P >> - 0 0 75 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.028 47.4 -31.3 -63.5 171.1 36.3 -17.7 6.1 80 80 A V T 34 S+ 0 0 73 2,-0.3 156,-0.0 1,-0.3 154,-0.0 -0.355 121.6 42.3 -45.7 141.5 35.2 -21.2 6.7 81 81 A P T 34 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 154,-0.2 -0.969 135.7 26.6 -73.3 -22.3 35.5 -23.0 9.2 82 82 A A T <4 S- 0 0 38 -3,-1.0 -2,-0.3 2,-0.1 -4,-0.0 0.973 76.5-173.6 -64.6 -54.5 34.6 -19.8 11.2 83 83 A L < + 0 0 1 -4,-2.2 2,-0.3 1,-0.2 3,-0.3 0.981 22.2 167.6 49.6 59.8 32.6 -18.0 8.6 84 84 A E B +Q 78 0E 88 -6,-1.7 -6,-2.6 1,-0.2 -1,-0.2 -0.810 56.8 6.9-103.0 144.5 32.3 -14.9 10.8 85 85 A N S S- 0 0 30 -2,-0.3 2,-2.2 -8,-0.2 -11,-0.3 0.886 77.2-172.9 52.4 53.3 31.0 -11.5 9.5 86 86 A N + 0 0 1 -3,-0.3 2,-0.3 -9,-0.1 -1,-0.2 -0.392 36.8 111.4 -87.5 68.7 30.1 -13.1 6.2 87 87 A L - 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