==== 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/HYDROLASE INHIBITOR 24-SEP-07 2RDL . COMPND 2 MOLECULE: CHYMASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: MESOCRICETUS AURATUS; . AUTHOR J.SPURLINO,M.ABAD,J.KERVINEN . 460 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 163 35.4 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 . 5 1.1 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 . 41 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 4.6 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 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 10 7 2 10 2 4 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 0 0 2 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,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 124.2 22.2 34.6 42.4 2 17 A I B +A 176 0A 4 174,-3.3 174,-1.8 1,-0.2 130,-0.1 -0.864 360.0 0.9-104.9 129.9 24.8 37.2 43.3 3 18 A G S S+ 0 0 40 128,-0.6 -1,-0.2 -2,-0.5 172,-0.2 0.668 103.3 128.9 74.1 18.6 24.0 40.6 44.7 4 19 A G - 0 0 25 -3,-0.4 2,-0.3 140,-0.1 140,-0.2 0.095 54.6-117.3 -89.0-159.7 20.3 39.8 44.6 5 20 A T E -B 143 0B 89 138,-2.2 138,-2.4 -3,-0.1 2,-0.2 -0.951 34.6 -94.3-139.6 155.3 17.4 39.9 47.1 6 21 A E E -B 142 0B 108 -2,-0.3 136,-0.3 136,-0.2 135,-0.1 -0.525 45.8-118.9 -73.2 137.3 15.2 37.2 48.5 7 22 A C - 0 0 4 134,-2.8 134,-0.1 -2,-0.2 -1,-0.1 -0.326 31.1 -96.2 -74.0 160.6 12.0 36.8 46.5 8 23 A R > - 0 0 199 1,-0.1 3,-2.3 2,-0.0 4,-0.3 -0.631 60.5 -84.4 -76.9 134.4 8.6 37.3 48.0 9 24 A P T 3 S- 0 0 85 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.152 106.0 -11.6 -45.9 117.5 7.3 33.9 49.1 10 25 A H T 3 S+ 0 0 56 2,-0.1 94,-0.2 47,-0.1 48,-0.1 0.708 92.8 130.3 61.3 25.2 5.5 32.1 46.3 11 26 A A S < S+ 0 0 61 -3,-2.3 -1,-0.1 1,-0.3 47,-0.0 0.588 76.6 41.2 -81.6 -11.0 5.6 35.2 44.1 12 27 A R S > S+ 0 0 42 -4,-0.3 3,-2.3 92,-0.1 -1,-0.3 -0.561 70.1 173.7-136.4 67.8 7.0 33.2 41.2 13 28 A P T 3 S+ 0 0 37 0, 0.0 93,-1.8 0, 0.0 43,-0.3 0.396 71.6 68.5 -56.5 -2.2 5.1 29.9 41.3 14 29 A Y T 3 S+ 0 0 21 91,-0.2 20,-2.5 93,-0.1 94,-0.1 0.609 72.4 112.5 -95.5 -14.6 6.7 28.7 38.1 15 30 A M E < -K 33 0C 3 -3,-2.3 41,-0.5 18,-0.2 2,-0.4 -0.347 49.8-163.4 -63.3 134.4 10.2 28.3 39.6 16 31 A A E -KL 32 55C 0 16,-3.8 16,-1.2 39,-0.1 2,-0.6 -0.960 13.6-147.9-124.5 138.5 11.4 24.8 39.8 17 32 A Y E -KL 31 54C 30 37,-2.2 37,-2.2 -2,-0.4 2,-0.5 -0.905 20.7-156.1-102.9 124.8 14.3 23.3 41.9 18 33 A L E -KL 30 53C 0 12,-3.1 12,-2.1 -2,-0.6 2,-0.6 -0.901 10.9-162.9-111.5 127.8 15.9 20.4 40.1 19 34 A E E -KL 29 52C 85 33,-1.5 33,-2.0 -2,-0.5 2,-0.4 -0.919 21.9-166.8-105.8 118.5 17.9 17.7 41.9 20 34AA I E -KL 28 51C 5 8,-3.5 8,-3.5 -2,-0.6 2,-0.7 -0.864 28.4-156.7-116.5 145.3 20.0 15.8 39.4 21 34BA V E -KL 27 50C 33 29,-1.9 28,-2.6 -2,-0.4 29,-1.0 -0.962 36.9-140.2-110.8 105.2 22.0 12.6 39.3 22 34CA T > - 0 0 21 4,-3.6 3,-1.3 -2,-0.7 26,-0.2 -0.060 20.5-106.9 -63.3 170.0 24.5 13.3 36.6 23 35 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 25,-0.1 0.860 124.7 57.8 -66.8 -32.7 25.6 10.8 34.0 24 36 A E T 3 S- 0 0 129 2,-0.1 -2,-0.1 1,-0.1 24,-0.0 0.441 125.3-109.8 -74.8 0.8 29.0 10.5 35.8 25 37 A N S < S+ 0 0 96 -3,-1.3 2,-0.3 1,-0.3 -1,-0.1 0.788 72.2 142.3 74.4 30.6 26.8 9.6 38.8 26 38 A H - 0 0 124 0, 0.0 -4,-3.6 0, 0.0 2,-0.5 -0.760 53.0-119.9-101.1 148.0 27.4 12.8 40.7 27 39 A L E +K 21 0C 150 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.768 46.4 156.5 -89.8 129.3 24.7 14.5 42.7 28 40 A S E -K 20 0C 63 -8,-3.5 -8,-3.5 -2,-0.5 2,-0.3 -0.901 29.1-138.5-145.2 174.4 23.9 18.0 41.5 29 41 A A E +K 19 0C 29 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.997 17.4 170.6-142.6 146.5 21.2 20.8 41.4 30 42 A a E -K 18 0C 6 -12,-2.1 -12,-3.1 -2,-0.3 2,-0.2 -0.871 28.5-113.7-142.8 172.8 19.8 23.3 38.9 31 43 A S E +K 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.593 36.5 160.4-105.9 169.7 17.0 25.8 38.5 32 44 A G E -K 16 0C 0 -16,-1.2 -16,-3.8 -2,-0.2 2,-0.4 -0.973 26.0-126.3-175.0 171.9 14.1 25.6 36.0 33 45 A F E -KM 15 41C 0 8,-2.0 8,-3.2 -2,-0.3 2,-0.5 -0.999 19.7-119.6-142.4 142.8 10.6 26.9 35.3 34 46 A L E + M 0 40C 0 -20,-2.5 74,-1.9 -2,-0.4 6,-0.2 -0.644 29.4 170.1 -79.0 123.0 7.3 25.3 34.5 35 47 A I E S+ 0 0 21 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.494 73.7 9.3-109.4 -8.5 5.9 26.4 31.1 36 48 A R E > S- M 0 39C 80 3,-1.2 3,-1.9 70,-0.1 -1,-0.4 -0.933 93.7 -90.3-161.9 156.0 3.0 23.9 31.0 37 49 A R T 3 S+ 0 0 96 -2,-0.3 62,-3.7 1,-0.3 60,-0.1 0.691 125.7 24.1 -48.1 -26.5 1.6 21.6 33.6 38 50 A N T 3 S+ 0 0 14 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.103 111.0 78.5-130.9 26.3 3.8 18.7 32.6 39 51 A F E < -MN 36 94C 0 -3,-1.9 -4,-2.4 55,-0.3 -3,-1.2 -0.976 51.0-172.3-140.3 122.6 6.8 20.5 31.0 40 52 A V E -MN 34 93C 0 53,-2.4 53,-3.0 -2,-0.4 2,-0.4 -0.898 15.1-143.1-113.5 141.3 9.7 22.2 32.7 41 53 A M E +MN 33 92C 0 -8,-3.2 -8,-2.0 -2,-0.4 2,-0.2 -0.845 36.7 132.8-105.3 142.0 12.3 24.3 30.8 42 54 A T E - N 0 91C 0 49,-2.4 49,-3.0 -2,-0.4 2,-0.3 -0.880 53.4 -54.7-162.5-167.6 16.0 24.3 31.9 43 55 A A > - 0 0 0 -12,-0.4 3,-1.4 47,-0.3 47,-0.2 -0.640 35.2-135.0 -88.7 143.6 19.6 24.0 30.7 44 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.831 101.9 67.1 -66.4 -31.7 20.9 21.0 28.7 45 57 A H G 3 S+ 0 0 44 1,-0.3 -1,-0.3 37,-0.1 44,-0.0 0.455 90.7 67.1 -70.5 5.1 24.0 20.7 30.8 46 58 A a G < S+ 0 0 4 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.234 75.7 119.4-104.4 8.1 21.7 19.7 33.7 47 59 A A < + 0 0 29 -3,-1.9 2,-0.3 -27,-0.1 3,-0.1 -0.285 36.4 138.6 -69.7 160.1 20.7 16.5 32.0 48 61 A G - 0 0 18 -26,-0.2 -26,-0.3 1,-0.1 3,-0.1 -0.936 63.0 -59.4-173.0-162.0 21.4 13.2 33.7 49 62 A R S S- 0 0 149 -28,-2.6 2,-0.3 -2,-0.3 -27,-0.1 0.876 114.4 -6.2 -71.5 -39.8 20.5 9.7 34.8 50 63 A S E -L 21 0C 57 -29,-1.0 -29,-1.9 -3,-0.1 2,-0.3 -0.970 64.7-159.2-152.3 160.1 17.5 10.9 36.7 51 64 A I E -L 20 0C 7 -2,-0.3 21,-1.8 21,-0.2 2,-0.4 -0.986 3.1-157.9-150.8 137.5 15.9 14.2 37.7 52 65 A T E -LO 19 71C 39 -33,-2.0 -33,-1.5 -2,-0.3 2,-0.5 -0.875 10.9-149.2-114.1 145.9 13.4 15.3 40.3 53 66 A V E -LO 18 70C 0 17,-3.0 17,-3.5 -2,-0.4 2,-0.5 -0.971 7.0-166.8-120.9 122.9 11.3 18.5 40.1 54 67 A L E +LO 17 69C 5 -37,-2.2 -37,-2.2 -2,-0.5 2,-0.3 -0.943 14.0 176.8-111.2 121.1 10.2 20.5 43.2 55 68 A L E +LO 16 68C 0 13,-2.6 13,-2.5 -2,-0.5 -39,-0.1 -0.842 54.7 37.5-120.5 158.0 7.5 23.1 42.6 56 69 A G S S+ 0 0 3 -41,-0.5 2,-0.3 48,-0.5 10,-0.2 0.717 84.7 127.7 77.2 22.5 5.7 25.4 45.0 57 70 A A + 0 0 9 -42,-0.4 -1,-0.3 -3,-0.2 3,-0.2 -0.806 33.9 171.8-115.0 155.4 8.7 26.1 47.2 58 71 A H S S+ 0 0 13 1,-0.4 83,-1.4 -2,-0.3 2,-0.6 0.605 86.3 31.8-118.8 -55.6 10.4 29.3 48.5 59 72 A N B > S-Q 140 0D 31 3,-0.3 3,-2.1 81,-0.2 -1,-0.4 -0.938 73.7-152.0-109.2 112.8 12.9 27.9 50.9 60 73 A K T 3 S+ 0 0 25 79,-2.8 80,-0.1 -2,-0.6 -1,-0.1 0.558 95.1 55.6 -61.7 -6.6 14.1 24.4 49.7 61 74 A K T 3 S+ 0 0 135 78,-0.2 2,-0.6 1,-0.1 -1,-0.3 0.427 95.8 72.6-104.7 -1.5 14.7 23.5 53.4 62 75 A V S < S- 0 0 74 -3,-2.1 -3,-0.3 77,-0.2 -4,-0.3 -0.900 75.6-143.2-120.5 104.7 11.2 24.2 54.6 63 76 A K + 0 0 174 -2,-0.6 2,-0.3 -6,-0.1 -3,-0.0 -0.392 26.7 178.0 -64.5 135.0 8.5 21.8 53.6 64 77 A E > - 0 0 73 -2,-0.1 3,-1.6 1,-0.1 -1,-0.0 -0.902 44.1-106.7-136.1 164.4 5.2 23.5 52.9 65 78 A D T 3 S+ 0 0 173 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.847 116.6 62.7 -58.3 -36.5 1.7 22.5 51.7 66 79 A T T 3 S+ 0 0 31 -10,-0.2 -1,-0.3 2,-0.0 -9,-0.1 0.639 77.6 120.0 -65.0 -15.4 2.4 24.0 48.4 67 80 A W < + 0 0 60 -3,-1.6 2,-0.4 -11,-0.1 -11,-0.2 -0.278 36.3 177.3 -58.5 130.1 5.2 21.6 47.7 68 81 A Q E -O 55 0C 35 -13,-2.5 -13,-2.6 2,-0.0 2,-0.7 -0.922 7.7-168.9-137.4 105.3 4.8 19.3 44.7 69 82 A K E -O 54 0C 115 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.873 13.2-178.6-100.0 114.2 7.7 17.0 44.0 70 83 A L E -O 53 0C 19 -17,-3.5 -17,-3.0 -2,-0.7 2,-0.2 -0.898 23.3-128.4-118.6 145.5 7.5 15.4 40.6 71 84 A E E -O 52 0C 141 -2,-0.4 25,-2.4 -19,-0.2 2,-0.6 -0.530 29.6-114.2 -84.1 153.0 9.7 12.8 38.7 72 85 A V E -P 95 0C 26 -21,-1.8 23,-0.3 23,-0.2 -21,-0.2 -0.796 25.1-171.5 -91.9 125.6 10.8 13.6 35.2 73 86 A E E + 0 0 91 21,-2.5 2,-0.3 -2,-0.6 22,-0.2 0.857 70.0 7.1 -82.2 -39.9 9.4 11.2 32.7 74 87 A K E -P 94 0C 104 20,-1.9 20,-2.8 2,-0.0 2,-0.4 -0.995 61.6-142.4-150.4 141.2 11.4 12.3 29.7 75 88 A Q E -P 93 0C 53 -2,-0.3 18,-0.2 18,-0.2 -28,-0.0 -0.858 9.5-171.8-104.3 134.6 14.4 14.6 29.0 76 89 A F E +P 92 0C 24 16,-2.6 16,-1.3 -2,-0.4 2,-0.1 -0.582 11.2 176.9-122.9 66.4 14.5 16.6 25.8 77 90 A P E -P 91 0C 54 0, 0.0 14,-0.2 0, 0.0 12,-0.1 -0.466 50.5 -85.6 -67.5 145.4 18.0 18.2 25.7 78 91 A H > - 0 0 25 12,-2.4 3,-2.4 10,-0.3 12,-0.1 -0.286 34.9-129.4 -54.2 131.1 18.4 20.2 22.4 79 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 9,-0.0 0.741 107.9 47.9 -54.1 -26.6 19.6 17.8 19.7 80 93 A K T 3 S+ 0 0 148 8,-0.1 7,-0.1 2,-0.1 -2,-0.1 0.257 79.4 139.8-100.0 11.7 22.4 20.1 18.8 81 94 A Y < - 0 0 60 -3,-2.4 2,-0.5 7,-0.1 7,-0.2 -0.299 35.5-161.4 -57.6 137.8 23.6 20.7 22.3 82 95 A D B >> -R 87 0E 60 5,-2.1 4,-2.4 1,-0.1 5,-1.2 -0.943 9.9-165.8-126.6 108.2 27.4 20.7 22.5 83 96 A D T 45S+ 0 0 101 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.841 88.1 50.5 -61.7 -37.2 28.9 20.1 26.0 84 97 A R T 45S+ 0 0 193 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 0.946 124.5 27.6 -67.8 -48.4 32.4 21.3 25.1 85 98 A L T 45S- 0 0 57 2,-0.1 -2,-0.2 73,-0.0 -1,-0.2 0.657 100.1-134.5 -86.2 -18.4 31.3 24.6 23.6 86 99 A V T <5 + 0 0 16 -4,-2.4 3,-0.3 1,-0.2 2,-0.3 0.967 50.5 154.7 60.6 52.8 28.2 24.8 25.7 87 100 A L B < +R 82 0E 26 -5,-1.2 -5,-2.1 1,-0.2 -1,-0.2 -0.812 55.3 18.8-110.6 151.6 26.1 25.7 22.7 88 101 A N S S+ 0 0 31 -2,-0.3 2,-1.5 -7,-0.2 -10,-0.3 0.901 78.1 174.4 54.2 42.9 22.4 25.1 22.3 89 102 A D + 0 0 2 -3,-0.3 2,-0.3 -8,-0.1 -1,-0.2 -0.633 30.2 110.8 -84.4 84.5 22.2 24.7 26.1 90 103 A I - 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