==== 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 30-JUL-05 2AIP . COMPND 2 MOLECULE: PROTEIN C ACTIVATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: AGKISTRODON CONTORTRIX CONTORTRIX; . AUTHOR M.T.MURAKAMI,R.K.ARNI . 231 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 59.7 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 . 72 31.2 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 17 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 . 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 . 2 1 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 1 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 16 A V 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 126.7 12.1 -8.5 18.1 2 17 A I B +A 171 0A 24 169,-3.1 169,-1.7 1,-0.2 124,-0.1 -0.814 360.0 12.8 -98.1 138.2 11.6 -9.6 21.7 3 18 A G S S+ 0 0 43 122,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.612 103.7 102.1 78.8 14.3 8.6 -11.7 22.8 4 19 A G - 0 0 15 -3,-0.3 2,-0.3 167,-0.1 135,-0.2 -0.212 60.8-125.1-109.1-161.5 7.5 -12.7 19.4 5 20 A D E -B 138 0B 128 133,-2.3 133,-3.2 -2,-0.1 3,-0.1 -0.899 46.4 -60.6-139.0 171.8 7.8 -15.7 17.2 6 21 A E E -B 137 0B 108 -2,-0.3 131,-0.3 131,-0.3 3,-0.1 -0.322 62.8-115.5 -51.4 130.8 9.1 -16.6 13.7 7 22 A a - 0 0 2 129,-2.9 2,-0.2 114,-0.1 -1,-0.1 -0.318 34.2 -94.2 -61.4 152.5 7.1 -14.6 11.2 8 23 A N > - 0 0 90 1,-0.1 3,-1.9 -3,-0.1 4,-0.3 -0.523 35.8-123.0 -64.4 135.5 4.9 -16.4 8.8 9 24 A I T 3 S+ 0 0 67 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.708 109.9 42.1 -55.6 -20.1 7.0 -16.9 5.7 10 25 A N T 3 S+ 0 0 91 1,-0.1 3,-0.5 2,-0.1 -1,-0.3 0.417 95.0 78.3-107.3 0.8 4.3 -15.1 3.6 11 26 A E S < S+ 0 0 56 -3,-1.9 -1,-0.1 1,-0.2 -2,-0.1 0.422 92.1 49.0 -95.1 4.1 3.4 -12.3 5.9 12 27 A H > + 0 0 6 -4,-0.3 3,-2.1 -3,-0.2 -1,-0.2 -0.181 56.3 140.4-138.3 42.9 6.4 -10.0 5.2 13 28 A R T 3 S+ 0 0 86 -3,-0.5 89,-1.8 1,-0.3 38,-0.3 0.706 79.8 49.0 -63.6 -19.6 6.7 -9.8 1.4 14 29 A F T 3 S+ 0 0 27 87,-0.2 15,-3.1 -3,-0.1 2,-0.5 0.404 85.0 114.1 -95.6 -4.2 7.6 -6.0 1.7 15 30 A L E < -I 28 0C 1 -3,-2.1 36,-0.5 13,-0.2 37,-0.4 -0.595 50.1-161.8 -83.2 125.3 10.2 -6.6 4.4 16 31 A A E -I 27 0C 0 11,-3.0 11,-1.3 -2,-0.5 2,-0.5 -0.801 13.2-139.4-101.8 145.8 13.7 -5.7 3.3 17 32 A L E -IJ 26 49C 1 32,-2.6 32,-3.4 -2,-0.3 2,-0.5 -0.931 22.1-163.2-102.5 122.7 16.9 -6.9 5.1 18 33 A V E -IJ 25 48C 1 7,-3.1 7,-2.2 -2,-0.5 2,-0.5 -0.942 9.5-176.7-116.0 120.8 19.4 -4.1 5.2 19 34 A Y E +IJ 24 47C 79 28,-3.0 28,-2.8 -2,-0.5 2,-0.4 -0.985 9.2 165.8-117.5 126.1 23.1 -4.8 5.9 20 36 A A E > S-I 23 0C 0 3,-2.4 3,-2.4 -2,-0.5 25,-0.2 -0.959 71.1 -18.8-142.3 120.3 25.4 -1.8 6.1 21 38 A N T 3 S- 0 0 129 23,-1.1 3,-0.1 24,-0.4 24,-0.1 0.904 126.5 -53.2 52.6 45.8 29.0 -2.0 7.5 22 39 A G T 3 S+ 0 0 79 1,-0.2 2,-0.3 22,-0.1 -1,-0.3 0.383 113.4 124.5 72.4 -4.5 28.1 -5.3 9.3 23 40 A S E < -I 20 0C 22 -3,-2.4 -3,-2.4 18,-0.1 2,-0.3 -0.716 54.2-136.3 -96.0 141.9 25.1 -3.6 10.9 24 41 A L E +I 19 0C 22 -2,-0.3 151,-0.3 -5,-0.2 2,-0.3 -0.699 30.7 154.3-104.0 139.1 21.7 -5.0 10.6 25 42 A b E -I 18 0C 1 -7,-2.2 -7,-3.1 -2,-0.3 153,-0.2 -0.953 31.5-127.5-147.6 165.5 18.4 -3.2 9.8 26 43 A G E -I 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.567 24.5-179.4-101.4 176.9 15.1 -3.7 8.3 27 44 A G E -I 16 0C 0 -11,-1.3 -11,-3.0 -2,-0.2 2,-0.4 -0.942 22.9-118.3-164.4 173.3 13.4 -1.7 5.6 28 45 A T E -IK 15 36C 0 8,-2.5 8,-2.6 -2,-0.3 2,-0.7 -0.991 13.8-136.4-130.8 128.5 10.2 -1.7 3.7 29 46 A L E + K 0 35C 0 -15,-3.1 75,-2.8 -2,-0.4 6,-0.2 -0.721 24.0 179.0 -78.9 116.0 9.7 -2.1 -0.0 30 47 A I E - 0 0 8 4,-2.5 2,-0.3 -2,-0.7 -1,-0.2 0.571 67.6 -10.5-101.3 -10.5 7.2 0.5 -0.9 31 48 A N E > S- K 0 34C 47 3,-1.1 3,-0.6 74,-0.1 -1,-0.2 -0.910 94.5 -72.1-163.8-169.2 7.1 -0.2 -4.6 32 49 A Q T 3 S+ 0 0 65 -2,-0.3 63,-2.8 1,-0.2 61,-0.1 0.582 127.9 27.2 -75.9 -3.5 9.1 -2.3 -7.0 33 50 A E T 3 S+ 0 0 49 61,-0.2 58,-3.1 1,-0.1 2,-0.4 0.397 108.7 70.1-133.8 -0.6 12.1 0.0 -6.9 34 51 A W E < -KL 31 90C 13 -3,-0.6 -4,-2.5 56,-0.3 -3,-1.1 -0.980 48.3-168.8-137.6 141.5 12.1 1.8 -3.6 35 52 A V E -KL 29 89C 0 54,-2.7 54,-3.2 -2,-0.4 2,-0.5 -0.963 10.7-150.5-127.2 139.3 12.7 1.0 0.0 36 53 A L E +KL 28 88C 0 -8,-2.6 -8,-2.5 -2,-0.4 2,-0.2 -0.933 32.0 146.2-107.5 133.8 12.1 3.1 3.1 37 54 A T E - L 0 87C 0 50,-2.5 50,-2.3 -2,-0.5 2,-0.4 -0.713 52.8 -70.0-145.4-168.4 14.4 2.5 6.1 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 48,-0.3 48,-0.2 -0.768 33.5-133.9 -92.8 142.2 15.9 4.5 9.0 39 56 A R G > S+ 0 0 53 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.866 105.2 66.6 -65.3 -27.7 18.6 7.0 8.1 40 57 A H G 3 S+ 0 0 16 1,-0.3 -1,-0.3 42,-0.1 137,-0.0 0.674 88.4 67.9 -66.2 -10.7 20.6 5.8 11.0 41 58 A b G < S+ 0 0 0 -3,-1.8 2,-2.0 1,-0.1 -1,-0.3 0.542 71.8 99.2 -82.2 -6.4 20.9 2.5 9.1 42 59 A D < + 0 0 54 -3,-2.1 -1,-0.1 1,-0.2 3,-0.1 -0.547 39.0 141.1 -83.9 75.2 23.1 4.2 6.5 43 60 A R - 0 0 114 -2,-2.0 -1,-0.2 1,-0.3 -23,-0.1 0.310 67.3 -71.5-105.4 5.0 26.3 3.0 8.0 44 62 A G S S+ 0 0 29 -3,-0.1 -23,-1.1 -24,-0.0 -1,-0.3 0.084 103.7 28.3 117.4 141.8 28.1 2.3 4.7 45 63 A N S S- 0 0 158 -25,-0.2 -24,-0.4 1,-0.2 2,-0.2 0.937 77.7-155.2 45.9 61.6 28.2 -0.1 1.7 46 64 A M - 0 0 9 -26,-0.2 2,-0.4 -25,-0.1 -26,-0.2 -0.459 16.3-170.2 -74.0 134.3 24.5 -0.9 2.0 47 65 A R E -J 19 0C 138 -28,-2.8 -28,-3.0 -2,-0.2 2,-0.5 -0.981 7.3-159.6-119.1 133.3 23.2 -4.2 0.7 48 66 A I E -JM 18 65C 0 17,-3.0 17,-2.7 -2,-0.4 2,-0.5 -0.978 2.6-161.0-120.7 123.1 19.4 -4.6 0.6 49 67 A Y E -JM 17 64C 29 -32,-3.4 -32,-2.6 -2,-0.5 2,-0.3 -0.907 6.1-167.7-109.8 127.1 18.0 -8.1 0.4 50 68 A L E + M 0 63C 2 13,-2.6 13,-2.6 -2,-0.5 -34,-0.1 -0.815 67.5 24.4-108.6 154.8 14.4 -8.5 -0.8 51 69 A G S S+ 0 0 2 -36,-0.5 2,-0.3 49,-0.4 8,-0.2 0.693 85.6 146.8 68.2 22.1 12.3 -11.7 -0.5 52 70 A M + 0 0 11 -37,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.694 12.8 145.6 -91.9 141.6 14.4 -13.0 2.5 53 71 A H S S+ 0 0 3 1,-0.4 2,-0.5 -2,-0.3 -1,-0.1 0.288 70.9 34.3-125.9 -83.2 13.0 -15.1 5.3 54 72 A N > - 0 0 34 3,-0.5 3,-0.7 81,-0.2 -1,-0.4 -0.631 65.3-154.9 -78.9 122.1 15.5 -17.6 6.6 55 73 A L T 3 S+ 0 0 45 79,-3.3 3,-0.2 -2,-0.5 -1,-0.2 0.631 97.8 42.1 -67.4 -14.4 19.0 -16.2 6.3 56 74 A K T 3 S+ 0 0 151 78,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.383 115.9 47.1-114.2 -3.1 20.3 -19.8 6.2 57 75 A V S < S- 0 0 96 -3,-0.7 -3,-0.5 77,-0.2 -4,-0.2 -0.795 89.1-145.7-136.8 91.0 17.7 -21.2 3.8 58 76 A L - 0 0 112 -2,-0.3 -3,-0.1 -3,-0.2 -6,-0.1 -0.375 13.1-120.4 -71.7 130.2 17.5 -18.7 1.0 59 77 A N > - 0 0 18 -5,-0.2 3,-2.0 -8,-0.2 -1,-0.1 -0.410 24.8-123.2 -57.1 140.3 14.1 -18.2 -0.6 60 78 A K T 3 S+ 0 0 218 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.811 111.8 47.3 -57.8 -31.1 14.5 -19.1 -4.3 61 79 A D T 3 S+ 0 0 32 -10,-0.2 -1,-0.3 2,-0.1 -9,-0.1 0.321 81.1 130.6 -97.6 8.4 13.2 -15.6 -5.2 62 80 A A < - 0 0 26 -3,-2.0 2,-0.3 -11,-0.2 -11,-0.2 -0.305 38.1-166.8 -61.1 144.8 15.5 -13.7 -2.7 63 81 A L E -M 50 0C 59 -13,-2.6 -13,-2.6 32,-0.0 2,-0.4 -0.967 17.0-140.8-135.9 151.1 17.3 -10.8 -4.4 64 82 A R E +M 49 0C 137 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.921 28.5 165.1-111.8 137.3 20.2 -8.5 -3.5 65 83 A R E -M 48 0C 19 -17,-2.7 -17,-3.0 -2,-0.4 26,-0.1 -0.865 19.1-151.7-139.1 170.2 20.1 -4.8 -4.4 66 84 A F - 0 0 113 -2,-0.3 26,-1.5 -19,-0.2 2,-0.2 -0.940 37.7 -78.4-141.3 166.4 22.0 -1.7 -3.5 67 85 A P E +N 91 0C 29 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.499 38.9 168.0 -70.6 131.2 21.1 2.0 -3.4 68 86 A K E S+ 0 0 104 22,-3.8 2,-0.3 1,-0.4 23,-0.2 0.598 80.5 23.0-105.1 -29.6 21.0 3.8 -6.7 69 87 A E E S-N 90 0C 51 21,-1.6 21,-2.0 2,-0.0 -1,-0.4 -0.977 71.4-172.4-133.5 149.7 19.3 6.8 -5.2 70 88 A K E +N 89 0C 85 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.975 6.6 173.6-148.2 126.0 19.3 7.8 -1.5 71 89 A Y E +N 88 0C 70 17,-2.4 17,-2.4 -2,-0.4 2,-0.3 -0.967 6.7 154.7-135.2 152.1 17.4 10.6 0.2 72 90 A F E -N 87 0C 80 -2,-0.3 2,-0.4 15,-0.2 15,-0.1 -0.932 52.4 -72.5-160.5 175.4 16.8 11.8 3.7 73 91 A c - 0 0 6 13,-0.5 13,-0.1 11,-0.4 3,-0.1 -0.607 33.0-162.8 -82.4 129.0 15.9 15.0 5.4 74 92 A L S S+ 0 0 138 -2,-0.4 2,-1.1 1,-0.2 -1,-0.2 0.839 78.2 65.1 -83.2 -33.9 18.6 17.6 5.4 75 93 A N + 0 0 150 154,-0.0 2,-0.4 9,-0.0 -1,-0.2 -0.757 69.4 159.0 -89.0 94.6 17.2 19.8 8.2 76 94 A T - 0 0 51 -2,-1.1 2,-0.1 -3,-0.1 8,-0.0 -0.930 40.8-112.8-117.3 146.3 17.3 17.6 11.3 77 95 A R - 0 0 134 -2,-0.4 6,-0.5 1,-0.1 5,-0.1 -0.374 13.3-157.1 -68.2 151.9 17.2 18.8 14.9 78 96AA N S S+ 0 0 163 4,-0.1 -1,-0.1 1,-0.1 4,-0.1 0.626 88.6 58.3 -99.8 -20.3 20.3 18.2 17.0 79 96 A D S S+ 0 0 106 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.644 97.4 66.6 -89.8 -16.6 18.5 18.3 20.3 80 97 A T S > S- 0 0 17 74,-0.0 3,-0.6 1,-0.0 2,-0.6 -0.702 95.9 -97.4-101.6 160.8 16.1 15.4 19.7 81 98 A I T 3 S- 0 0 64 74,-5.0 76,-0.5 1,-0.3 4,-0.2 -0.657 93.3 -23.9 -82.9 119.7 17.1 11.8 19.2 82 99 A W T > S- 0 0 112 -2,-0.6 3,-0.6 1,-0.1 -1,-0.3 0.928 83.3-153.3 46.5 54.8 17.5 10.7 15.6 83 100 A D T < S+ 0 0 5 -3,-0.6 3,-0.2 -6,-0.5 -1,-0.1 -0.325 72.2 5.9 -56.3 139.2 15.2 13.4 14.3 84 101 A K T 3 S- 0 0 17 74,-0.4 2,-2.0 1,-0.2 -11,-0.4 0.946 80.3-168.4 51.5 58.0 13.5 12.4 11.1 85 102 A D < + 0 0 1 -3,-0.6 2,-0.3 -4,-0.2 123,-0.3 -0.550 41.4 111.0 -85.2 84.3 14.9 9.0 11.1 86 103 A I - 0 0 0 -2,-2.0 -13,-0.5 -48,-0.2 2,-0.4 -0.986 40.5-174.0-157.6 140.5 13.9 8.0 7.6 87 104 A M E -LN 37 72C 2 -50,-2.3 -50,-2.5 -2,-0.3 2,-0.5 -0.988 12.5-151.8-145.1 132.6 15.8 7.3 4.4 88 105 A L E -LN 36 71C 0 -17,-2.4 -17,-2.4 -2,-0.4 2,-0.4 -0.922 18.3-171.8-111.7 126.2 14.3 6.6 1.0 89 106 A I E -LN 35 70C 0 -54,-3.2 -54,-2.7 -2,-0.5 2,-0.5 -0.952 18.7-148.7-125.2 135.0 16.3 4.5 -1.3 90 107 A R E -LN 34 69C 66 -21,-2.0 -22,-3.8 -2,-0.4 -21,-1.6 -0.910 29.6-127.1 -98.5 129.7 15.8 3.6 -4.9 91 108 A L E - 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