==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-AUG-11 3TK9 . COMPND 2 MOLECULE: GRANZYME H; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.WANG,K.ZHANG,L.WU,L.TONG,F.SUN,Z.FAN . 226 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 34.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 . 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 . 16 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 0 1 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 2 1 5 2 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 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 16 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 130.5 9.1 40.6 32.9 2 17 A I B +A 176 0A 21 174,-3.3 174,-2.0 1,-0.2 129,-0.1 -0.920 360.0 4.8-115.2 137.6 7.6 44.0 31.8 3 18 A G S S+ 0 0 37 127,-0.4 -1,-0.2 -2,-0.4 172,-0.2 0.792 102.2 125.2 60.9 29.4 5.0 46.0 33.7 4 19 A G - 0 0 27 -3,-0.3 2,-0.3 138,-0.1 138,-0.2 -0.407 54.6-127.7-103.5-172.6 5.1 43.4 36.6 5 20 A H E -B 141 0B 108 136,-2.1 136,-1.6 -2,-0.1 -3,-0.0 -0.956 38.9 -81.7-134.3 150.7 5.7 43.7 40.3 6 21 A E E -B 140 0B 99 -2,-0.3 134,-0.3 134,-0.2 2,-0.2 -0.228 48.1-121.5 -49.4 136.3 8.1 41.8 42.6 7 22 A A - 0 0 2 132,-2.6 -1,-0.1 50,-0.1 132,-0.1 -0.565 30.1 -99.3 -78.6 147.9 6.9 38.3 43.6 8 23 A K > - 0 0 160 -2,-0.2 3,-2.3 1,-0.1 4,-0.3 -0.551 59.5 -95.2 -59.5 124.1 6.5 37.5 47.3 9 24 A P T 3 S- 0 0 66 0, 0.0 48,-0.1 0, 0.0 -1,-0.1 -0.226 102.1 -0.8 -54.0 129.6 9.7 35.6 47.9 10 25 A H T 3 S+ 0 0 61 46,-0.3 47,-0.1 2,-0.2 -2,-0.1 0.488 91.9 121.2 69.9 10.8 9.4 31.8 47.6 11 26 A S S < S+ 0 0 61 -3,-2.3 -1,-0.1 1,-0.2 3,-0.1 0.597 76.0 50.5 -75.5 -11.8 5.7 32.1 46.9 12 27 A R > + 0 0 37 -4,-0.3 3,-1.4 1,-0.1 -1,-0.2 -0.750 69.3 173.4-121.8 81.5 6.4 30.3 43.6 13 28 A P T 3 S+ 0 0 26 0, 0.0 92,-1.2 0, 0.0 42,-0.3 0.535 72.1 62.1 -72.5 -3.6 8.4 27.3 44.8 14 29 A Y T 3 S+ 0 0 19 90,-0.2 19,-2.3 92,-0.1 93,-0.2 0.612 74.1 111.1 -94.8 -17.2 8.5 25.8 41.3 15 30 A M E < -J 32 0C 5 -3,-1.4 40,-0.5 17,-0.2 2,-0.4 -0.351 48.3-165.2 -61.7 136.1 10.4 28.5 39.5 16 31 A A E -JK 31 54C 0 15,-1.9 2,-0.7 38,-0.1 15,-0.5 -0.972 15.4-140.5-121.1 138.1 13.9 27.6 38.4 17 32 A F E -JK 30 53C 3 36,-2.2 36,-1.5 -2,-0.4 2,-0.4 -0.911 25.9-161.5-101.9 109.6 16.4 30.2 37.4 18 33 A V E +JK 29 52C 0 11,-2.8 11,-2.8 -2,-0.7 2,-0.3 -0.756 12.4 176.7-100.3 131.8 18.2 28.7 34.4 19 34 A Q E +JK 28 51C 28 32,-2.6 32,-3.5 -2,-0.4 2,-0.3 -0.949 9.0 147.7-138.2 159.4 21.6 29.9 33.2 20 35 A F E -J 27 0C 13 7,-1.7 7,-2.8 -2,-0.3 2,-0.4 -0.958 35.4-110.7-173.9 160.0 24.0 28.9 30.5 21 36 A L E +JK 26 48C 56 27,-2.3 27,-3.4 -2,-0.3 5,-0.2 -0.866 24.7 171.5-115.7 151.5 26.5 30.4 28.2 22 37 A Q S S+ 0 0 80 3,-2.3 2,-0.7 -2,-0.4 -1,-0.1 0.500 80.6 3.0-109.3 -92.6 26.6 30.9 24.5 23 38 A E S S- 0 0 127 1,-0.2 3,-0.1 2,-0.0 24,-0.0 -0.093 125.2 -66.6 -96.2 43.3 29.3 32.9 22.9 24 39 A K S S+ 0 0 185 -2,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.041 111.6 132.4 70.9 -12.8 31.0 33.6 26.2 25 40 A S - 0 0 51 1,-0.0 -3,-2.3 -4,-0.0 2,-0.4 -0.555 58.4-135.6 -67.6 123.4 27.7 35.5 26.6 26 41 A R E -J 21 0C 184 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.668 30.7-174.0 -81.6 131.6 26.0 34.7 29.9 27 42 A K E -J 20 0C 82 -7,-2.8 -7,-1.7 -2,-0.4 2,-0.3 -0.899 13.1-151.4-132.6 157.7 22.3 34.0 29.4 28 43 A R E +J 19 0C 42 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.938 10.7 178.2-132.5 152.1 19.2 33.3 31.5 29 44 A a E -J 18 0C 5 -11,-2.8 -11,-2.8 -2,-0.3 154,-0.2 -0.996 27.4-120.6-145.9 149.4 15.9 31.5 31.3 30 45 A G E +J 17 0C 0 152,-2.2 12,-0.4 -2,-0.3 2,-0.3 -0.358 39.3 163.2 -70.5 168.3 12.8 30.8 33.3 31 46 A G E -J 16 0C 0 -15,-0.5 -15,-1.9 10,-0.1 2,-0.4 -0.928 27.3-126.8-169.6 175.0 12.0 27.1 33.9 32 47 A I E -JL 15 40C 0 8,-2.2 8,-2.8 -2,-0.3 2,-0.4 -0.997 17.9-121.8-142.1 138.3 9.8 25.0 36.2 33 48 A L E + L 0 39C 0 -19,-2.3 74,-2.4 -2,-0.4 6,-0.3 -0.598 34.2 166.2 -74.0 122.0 10.5 22.1 38.5 34 49 A V E - 0 0 19 4,-3.4 2,-0.3 1,-0.4 5,-0.2 0.702 67.6 -1.5-114.3 -31.7 8.3 19.2 37.5 35 50 A R E > S- L 0 38C 102 3,-1.8 3,-1.1 70,-0.0 -1,-0.4 -0.877 88.6 -86.1-142.1-174.8 10.0 16.3 39.4 36 51 A K T 3 S+ 0 0 84 -2,-0.3 62,-1.0 1,-0.3 60,-0.1 0.855 128.1 27.2 -66.0 -31.5 13.0 16.1 41.6 37 52 A D T 3 S+ 0 0 27 60,-0.2 57,-3.2 1,-0.1 2,-0.4 0.202 112.5 80.6-113.1 17.8 15.5 15.6 38.7 38 53 A F E < +LM 35 93C 1 -3,-1.1 -4,-3.4 55,-0.2 -3,-1.8 -0.965 44.5 179.0-138.8 121.2 13.5 17.4 36.0 39 54 A V E -LM 33 92C 0 53,-2.1 53,-2.9 -2,-0.4 2,-0.3 -0.963 20.0-147.2-110.9 126.4 13.1 21.1 35.0 40 55 A L E +LM 32 91C 1 -8,-2.8 -8,-2.2 -2,-0.4 2,-0.2 -0.756 36.5 135.6 -96.9 141.7 10.9 22.0 32.0 41 56 A T E - M 0 90C 0 49,-2.2 49,-2.0 -2,-0.3 2,-0.5 -0.770 54.8 -51.0-162.0-165.5 11.9 25.0 29.9 42 57 A A > - 0 0 0 -12,-0.4 3,-3.3 47,-0.2 47,-0.3 -0.824 36.4-133.1 -97.4 131.5 12.3 26.2 26.3 43 58 A A T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 46,-0.1 0.735 106.8 63.5 -43.7 -26.7 14.4 24.2 23.8 44 59 A H T 3 S+ 0 0 59 1,-0.2 2,-1.1 44,-0.2 -1,-0.3 0.570 78.0 83.6 -83.9 -4.9 16.0 27.5 22.9 45 60 A a < + 0 0 0 -3,-3.3 2,-0.3 -15,-0.1 -1,-0.2 -0.389 69.6 130.9 -89.7 52.0 17.5 28.0 26.3 46 61 A Q + 0 0 68 -2,-1.1 2,-0.3 -3,-0.1 -26,-0.1 -0.846 20.1 114.1-112.4 148.2 20.4 25.8 25.3 47 62 A G - 0 0 33 -2,-0.3 2,-0.4 -28,-0.1 3,-0.4 -0.948 62.7 -37.7-178.6-165.4 24.1 26.4 25.7 48 63 A S E S-K 21 0C 59 -27,-3.4 -27,-2.3 -2,-0.3 -25,-0.0 -0.678 113.1 -3.3 -86.7 136.8 27.3 25.4 27.3 49 64 A S E S- 0 0 83 -2,-0.4 2,-0.4 -29,-0.2 -1,-0.2 0.959 79.3-148.3 46.4 74.8 27.2 24.3 31.0 50 65 A I E - 0 0 11 -3,-0.4 21,-1.9 -30,-0.1 2,-0.3 -0.572 14.1-163.2 -74.8 125.7 23.5 24.8 31.8 51 66 A N E -KN 19 70C 75 -32,-3.5 -32,-2.6 -2,-0.4 2,-0.4 -0.833 6.4-159.3-107.7 146.9 22.9 25.7 35.5 52 67 A V E -KN 18 69C 1 17,-1.6 17,-2.4 -2,-0.3 2,-0.5 -0.984 1.7-165.8-125.1 137.3 19.7 25.5 37.5 53 68 A T E -KN 17 68C 5 -36,-1.5 -36,-2.2 -2,-0.4 3,-0.4 -0.939 10.8-170.0-124.8 112.1 19.0 27.5 40.7 54 69 A L E +KN 16 67C 0 13,-2.9 13,-1.8 -2,-0.5 -38,-0.1 -0.478 63.4 21.5 -93.9 163.1 15.9 26.4 42.8 55 70 A G S S+ 0 0 4 -40,-0.5 2,-0.2 48,-0.3 -1,-0.2 0.729 88.8 136.5 54.2 28.1 14.3 28.2 45.7 56 71 A A + 0 0 9 -3,-0.4 -46,-0.3 -41,-0.3 -1,-0.2 -0.600 27.8 164.2-101.3 164.0 15.8 31.6 44.8 57 72 A H S S+ 0 0 8 1,-0.2 82,-1.9 -2,-0.2 2,-0.8 0.343 82.9 37.7-137.1 -53.7 14.2 35.0 44.9 58 73 A N B > -P 138 0D 28 80,-0.2 3,-1.2 1,-0.1 80,-0.2 -0.893 69.3-172.1-102.0 106.9 17.2 37.3 44.7 59 74 A I T 3 S+ 0 0 21 78,-1.8 -1,-0.1 -2,-0.8 79,-0.1 0.416 83.0 60.2 -87.9 5.4 19.6 35.5 42.4 60 75 A K T 3 S+ 0 0 123 77,-0.6 2,-0.3 2,-0.1 -1,-0.3 0.532 100.5 72.5 -99.1 -9.4 22.3 38.0 43.2 61 76 A E S < S- 0 0 106 -3,-1.2 2,-0.6 76,-0.2 -4,-0.1 -0.768 86.3-118.5 -98.9 147.7 22.1 37.0 46.9 62 77 A Q - 0 0 157 -2,-0.3 2,-0.4 -6,-0.1 3,-0.1 -0.740 40.3-168.1 -68.1 120.1 23.2 33.9 48.7 63 78 A E > - 0 0 40 -2,-0.6 3,-0.9 1,-0.1 -7,-0.0 -0.970 29.2-136.4-118.4 141.3 19.9 32.6 50.1 64 79 A R T 3 S+ 0 0 269 -2,-0.4 -1,-0.1 1,-0.2 -8,-0.1 0.874 107.2 52.8 -56.1 -38.6 19.6 29.8 52.6 65 80 A T T 3 S+ 0 0 40 -10,-0.1 -1,-0.2 -3,-0.1 -9,-0.1 0.674 85.6 111.5 -73.7 -20.8 16.7 28.3 50.5 66 81 A Q < - 0 0 18 -3,-0.9 2,-0.5 -13,-0.1 -11,-0.2 -0.314 47.2-165.5 -62.0 132.2 18.7 28.2 47.2 67 82 A Q E -N 54 0C 24 -13,-1.8 -13,-2.9 -2,-0.1 2,-0.5 -0.981 5.0-160.1-116.7 116.1 19.7 24.9 45.6 68 83 A F E +N 53 0C 102 -2,-0.5 -15,-0.2 -15,-0.2 -17,-0.0 -0.871 18.9 171.0 -91.7 125.0 22.4 25.1 42.8 69 84 A I E -N 52 0C 2 -17,-2.4 -17,-1.6 -2,-0.5 -2,-0.0 -0.979 27.0-136.1-140.9 121.8 22.3 22.0 40.6 70 85 A P E -N 51 0C 50 0, 0.0 25,-2.7 0, 0.0 2,-0.4 -0.339 30.3-113.4 -62.9 152.2 24.2 21.3 37.2 71 86 A V E -O 94 0C 21 -21,-1.9 23,-0.3 23,-0.2 -21,-0.1 -0.753 16.5-158.7 -90.4 141.3 22.2 19.7 34.4 72 87 A K E S- 0 0 126 21,-3.5 -1,-0.2 -2,-0.4 22,-0.2 0.952 77.4 -6.8 -74.0 -63.8 23.2 16.2 33.4 73 88 A R E -O 93 0C 133 20,-0.9 20,-2.2 2,-0.0 -1,-0.3 -0.982 61.6-140.6-143.0 125.8 21.6 16.3 29.9 74 89 A P E -O 92 0C 41 0, 0.0 18,-0.2 0, 0.0 -28,-0.0 -0.640 15.3-161.8 -74.4 140.3 19.4 18.8 28.2 75 90 A I E -O 91 0C 20 16,-3.1 16,-1.9 -2,-0.3 -32,-0.1 -0.725 8.6-174.1-125.2 82.3 16.7 17.2 26.2 76 91 A P E -O 90 0C 38 0, 0.0 14,-0.3 0, 0.0 12,-0.1 -0.394 46.2 -82.9 -65.9 153.6 15.3 19.7 23.7 77 92 A H > - 0 0 32 12,-2.6 3,-1.7 10,-0.4 13,-0.0 -0.321 35.2-129.8 -53.0 136.8 12.3 18.4 21.7 78 93 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 0.866 109.1 51.5 -61.2 -32.8 13.5 16.3 18.7 79 94 A A T 3 S+ 0 0 52 2,-0.1 2,-0.3 8,-0.0 -2,-0.1 0.075 81.0 141.2 -86.7 23.4 11.2 18.4 16.4 80 95 A Y < - 0 0 47 -3,-1.7 7,-0.2 9,-0.1 8,-0.1 -0.524 33.1-166.5 -69.1 130.4 12.6 21.7 17.7 81 96 A N B >>> -Q 86 0E 52 5,-2.4 4,-2.4 -2,-0.3 5,-0.9 -0.913 10.8-167.1-121.8 108.1 13.0 24.3 15.0 82 97 A P T 345S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.655 83.5 65.3 -63.4 -22.8 15.1 27.4 16.0 83 98 A K T 345S+ 0 0 173 1,-0.1 -2,-0.0 3,-0.0 0, 0.0 0.836 125.3 8.1 -72.9 -38.7 14.0 29.3 12.9 84 99 A N T <45S- 0 0 52 -3,-0.9 -1,-0.1 2,-0.1 0, 0.0 0.406 100.8-113.2-123.9 0.0 10.4 29.5 13.8 85 100 A F T ><5 + 0 0 58 -4,-2.4 3,-1.1 1,-0.2 2,-0.1 0.656 51.8 168.0 75.1 21.3 10.3 28.2 17.5 86 101 A S B 3 - 0 0 135 -2,-0.9 3,-1.5 1,-0.1 29,-0.2 -0.492 21.4 -96.2 -79.2 147.6 -9.7 29.4 26.9 118 133 A P T 3 S+ 0 0 64 0, 0.0 29,-0.2 0, 0.0 -1,-0.1 -0.240 111.1 36.3 -51.8 149.1 -9.4 33.0 25.7 119 134 A G T 3 S+ 0 0 54 27,-3.1 28,-0.1 1,-0.3 -2,-0.0 0.093 87.8 132.5 86.4 -21.6 -10.2 35.6 28.4 120 135 A Q < - 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0 0 71 0, 0.0 -4,-2.8 0, 0.0 -3,-1.2 -0.866 56.8-151.5-111.4 142.7 17.7 46.6 32.4 135 150 A L B -R 129 0F 71 -2,-0.4 -6,-0.2 -6,-0.3 -7,-0.1 -0.829 13.2-124.4-117.4 136.0 17.7 43.2 34.1 136 151 A A - 0 0 10 -8,-1.8 3,-0.1 -2,-0.4 -9,-0.1 -0.315 17.6-176.7 -68.9 157.8 15.9 42.0 37.3 137 152 A T S S+ 0 0 63 1,-0.1 -78,-1.8 2,-0.0 -77,-0.6 0.261 74.1 61.6-122.7 -5.0 17.8 40.4 40.2 138 153 A T B S-P 58 0D 23 -80,-0.2 -80,-0.2 -79,-0.1 -1,-0.1 -0.960 102.1 -94.0-128.4 131.1 14.6 39.7 42.1 139 154 A L - 0 0 4 -82,-1.9 -132,-2.6 -2,-0.4 2,-0.2 -0.302 46.2-164.4 -52.3 128.6 11.9 37.3 40.8 140 155 A Q E -BD 6 126B 31 -14,-1.9 -14,-1.9 -134,-0.3 2,-0.3 -0.716 6.6-172.6-111.7 157.7 9.1 39.3 39.0 141 156 A E E -BD 5 125B 30 -136,-1.6 -136,-2.1 -16,-0.3 2,-0.3 -0.987 6.6-169.3-151.0 153.3 5.6 38.3 38.0 142 157 A V E - D 0 124B 3 -18,-2.6 -18,-1.9 -2,-0.3 2,-0.6 -0.982 23.9-126.9-141.0 155.3 2.5 39.5 36.0 143 158 A L E - D 0 123B 106 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.900 35.5-178.1-102.0 122.8 -1.0 38.5 35.5 144 159 A L E - 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