==== 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 2AIQ . 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) . 10034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 59.3 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 . 69 29.9 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 . 16 6.9 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 2 4 4 1 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 0.000 360.0 360.0 360.0 128.6 12.3 -8.5 18.1 2 17 A I B +A 171 0A 24 169,-3.2 169,-1.8 1,-0.2 124,-0.1 -0.823 360.0 14.3 -98.5 140.1 11.8 -9.6 21.7 3 18 A G S S+ 0 0 41 122,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.617 102.9 102.4 78.7 14.2 8.9 -11.7 22.8 4 19 A G - 0 0 15 -3,-0.3 2,-0.3 167,-0.1 -1,-0.2 -0.250 60.4-123.3-112.1-162.0 7.8 -12.8 19.3 5 20 A D E -B 138 0B 129 133,-2.3 133,-3.1 -2,-0.1 3,-0.1 -0.874 46.4 -62.2-137.3 171.1 8.0 -15.8 17.1 6 21 A E E -B 137 0B 110 -2,-0.3 131,-0.3 131,-0.2 3,-0.1 -0.348 61.3-115.7 -53.7 129.4 9.3 -16.7 13.7 7 22 A a - 0 0 2 129,-2.7 2,-0.1 114,-0.1 -1,-0.1 -0.356 34.0 -96.0 -60.3 149.1 7.3 -14.7 11.1 8 23 A N > - 0 0 90 1,-0.1 3,-1.7 -3,-0.1 4,-0.3 -0.488 35.0-122.1 -61.6 137.7 5.2 -16.6 8.7 9 24 A I T 3 S+ 0 0 62 1,-0.3 3,-0.2 -2,-0.1 -1,-0.1 0.720 110.2 42.2 -56.8 -21.4 7.3 -17.0 5.6 10 25 A N T 3 S+ 0 0 89 1,-0.1 3,-0.5 2,-0.1 -1,-0.3 0.413 94.9 78.2-106.5 0.3 4.6 -15.2 3.5 11 26 A E S < S+ 0 0 59 -3,-1.7 -1,-0.1 1,-0.2 -2,-0.1 0.377 92.6 48.1 -96.1 6.0 3.7 -12.4 5.8 12 27 A H > + 0 0 6 -4,-0.3 3,-1.9 -3,-0.2 -1,-0.2 -0.188 56.6 140.4-140.6 44.9 6.6 -10.1 5.2 13 28 A R T 3 S+ 0 0 84 -3,-0.5 89,-1.8 1,-0.3 38,-0.3 0.708 79.3 50.0 -67.4 -18.0 7.0 -9.8 1.4 14 29 A F T 3 S+ 0 0 28 87,-0.2 15,-3.1 89,-0.1 2,-0.4 0.435 84.8 114.4 -95.5 -3.8 7.7 -6.1 1.7 15 30 A L E < -I 28 0C 1 -3,-1.9 37,-0.5 13,-0.2 36,-0.4 -0.587 49.6-161.7 -82.2 124.5 10.4 -6.6 4.4 16 31 A A E -I 27 0C 0 11,-2.9 11,-1.3 -2,-0.4 2,-0.5 -0.775 12.9-140.0-101.4 147.8 13.9 -5.7 3.4 17 32 A L E -IJ 26 49C 1 32,-2.6 32,-3.3 -2,-0.3 2,-0.5 -0.945 21.9-163.7-106.1 122.4 17.0 -6.8 5.1 18 33 A V E -IJ 25 48C 1 7,-3.3 7,-2.5 -2,-0.5 2,-0.4 -0.932 9.3-177.3-115.8 121.7 19.5 -3.9 5.2 19 34 A Y E +IJ 24 47C 67 28,-2.8 28,-2.7 -2,-0.5 2,-0.3 -0.969 11.0 162.5-114.6 134.8 23.2 -4.5 5.9 20 36 A A E > -I 23 0C 1 3,-2.2 3,-2.7 -2,-0.4 25,-0.2 -0.928 57.4 -43.7-142.7 164.9 25.6 -1.6 6.2 21 38 A N T 3 S- 0 0 110 23,-3.9 24,-0.1 -2,-0.3 3,-0.1 -0.009 127.7 -18.0 -35.0 105.3 29.1 -1.2 7.7 22 39 A G T 3 S+ 0 0 83 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.790 121.1 103.9 66.6 33.5 28.9 -3.0 11.0 23 40 A S E < -I 20 0C 19 -3,-2.7 -3,-2.2 21,-0.1 2,-0.4 -0.987 52.1-158.5-158.1 142.1 25.1 -2.9 11.0 24 41 A L E +I 19 0C 24 -2,-0.3 2,-0.3 -5,-0.2 151,-0.3 -0.925 27.4 154.0-116.2 136.1 21.8 -4.7 10.6 25 42 A b E -I 18 0C 2 -7,-2.5 -7,-3.3 -2,-0.4 153,-0.2 -0.963 32.3-126.7-147.2 167.8 18.5 -3.0 9.9 26 43 A G E -I 17 0C 2 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.522 24.5-179.0-101.6 178.9 15.2 -3.7 8.3 27 44 A G E -I 16 0C 0 -11,-1.3 -11,-2.9 -2,-0.2 2,-0.4 -0.949 22.8-115.8-164.6 177.8 13.5 -1.7 5.6 28 45 A T E -IK 15 36C 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.7 -0.989 14.0-136.6-134.0 125.1 10.3 -1.7 3.6 29 46 A L E + K 0 35C 0 -15,-3.1 75,-2.8 -2,-0.4 6,-0.2 -0.712 24.3 178.5 -75.9 114.1 9.8 -2.1 -0.1 30 47 A I - 0 0 8 4,-2.4 2,-0.3 -2,-0.7 -1,-0.2 0.584 67.4 -10.7 -99.1 -14.3 7.2 0.5 -1.0 31 48 A N S S- 0 0 48 3,-1.1 3,-0.5 74,-0.1 -1,-0.1 -0.885 94.7 -71.6-161.2-168.0 7.1 -0.2 -4.7 32 49 A Q S S+ 0 0 65 -2,-0.3 63,-2.7 1,-0.2 61,-0.1 0.572 128.1 26.0 -77.7 -0.8 9.2 -2.2 -7.1 33 50 A E S S+ 0 0 51 61,-0.2 58,-3.5 1,-0.1 2,-0.4 0.374 108.7 72.4-136.4 0.7 12.2 0.1 -7.0 34 51 A W E - L 0 90C 13 -3,-0.5 -4,-2.4 56,-0.3 -3,-1.1 -0.972 48.1-169.5-136.2 140.8 12.2 1.9 -3.6 35 52 A V E -KL 29 89C 0 54,-2.8 54,-2.9 -2,-0.4 2,-0.5 -0.970 10.9-150.4-126.4 138.7 12.8 1.1 -0.0 36 53 A L E +KL 28 88C 0 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.2 -0.930 31.7 147.3-105.0 134.0 12.2 3.1 3.1 37 54 A T E - L 0 87C 0 50,-2.6 50,-2.4 -2,-0.5 2,-0.4 -0.718 52.4 -71.8-143.9-169.2 14.4 2.5 6.1 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 48,-0.3 48,-0.2 -0.769 33.8-133.8 -92.6 140.9 15.8 4.6 9.0 39 56 A R G > S+ 0 0 53 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.844 104.9 65.3 -65.4 -26.7 18.5 7.1 8.1 40 57 A H G 3 S+ 0 0 16 1,-0.3 -1,-0.3 42,-0.1 137,-0.0 0.661 89.1 68.9 -68.7 -10.7 20.6 5.9 11.0 41 58 A b G < S+ 0 0 0 -3,-1.7 2,-1.8 1,-0.1 -1,-0.3 0.586 72.5 96.2 -79.9 -11.0 20.9 2.6 9.2 42 59 A D < + 0 0 47 -3,-2.0 -1,-0.1 -4,-0.2 3,-0.1 -0.571 39.5 144.2 -83.2 82.3 23.0 4.2 6.6 43 60 A R - 0 0 104 -2,-1.8 -1,-0.2 1,-0.3 -23,-0.1 0.279 66.7 -79.7-105.8 9.0 26.4 3.3 8.1 44 62 A G S S+ 0 0 28 -3,-0.1 -23,-3.9 -24,-0.1 -1,-0.3 0.045 104.8 42.6 107.4 147.8 28.2 2.7 4.7 45 63 A N S S- 0 0 128 -25,-0.2 2,-0.2 1,-0.2 -26,-0.0 0.934 77.0-161.3 51.4 54.6 28.4 0.0 2.0 46 64 A M - 0 0 9 -26,-0.1 2,-0.4 -25,-0.1 -26,-0.2 -0.471 16.4-176.7 -73.6 135.6 24.7 -0.6 2.1 47 65 A R E -J 19 0C 87 -28,-2.7 -28,-2.8 -2,-0.2 2,-0.5 -0.988 9.3-158.4-126.3 136.4 23.3 -3.9 0.7 48 66 A I E -JM 18 65C 0 17,-3.1 17,-2.8 -2,-0.4 2,-0.5 -0.978 2.8-160.9-122.4 124.9 19.6 -4.4 0.6 49 67 A Y E -JM 17 64C 38 -32,-3.3 -32,-2.6 -2,-0.5 2,-0.3 -0.902 5.5-168.5-110.7 129.6 18.1 -7.9 0.4 50 68 A L E + M 0 63C 2 13,-2.3 13,-2.6 -2,-0.5 -34,-0.1 -0.802 67.7 26.1-111.1 155.7 14.6 -8.5 -0.7 51 69 A G S S+ 0 0 3 -36,-0.4 2,-0.3 49,-0.4 8,-0.2 0.690 84.9 146.4 68.3 22.6 12.6 -11.7 -0.5 52 70 A M + 0 0 11 -37,-0.5 -1,-0.2 -3,-0.3 3,-0.1 -0.689 12.9 146.0 -92.4 141.9 14.6 -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 0.275 70.8 33.3-126.9 -85.1 13.3 -15.1 5.3 54 72 A N > - 0 0 36 3,-0.5 3,-0.9 81,-0.2 -1,-0.4 -0.619 65.6-152.6 -78.0 123.7 15.9 -17.5 6.6 55 73 A L T 3 S+ 0 0 47 79,-3.4 3,-0.2 -2,-0.5 -1,-0.2 0.685 99.5 42.0 -63.6 -18.7 19.4 -16.1 6.4 56 74 A K T 3 S+ 0 0 154 78,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.382 113.7 49.7-112.2 -1.6 20.6 -19.6 6.1 57 75 A V S < S- 0 0 93 -3,-0.9 -3,-0.5 77,-0.2 -4,-0.3 -0.793 87.3-145.6-136.6 89.8 18.0 -21.1 3.7 58 76 A L - 0 0 118 -2,-0.3 -3,-0.1 -3,-0.2 -6,-0.1 -0.384 13.0-122.3 -69.4 125.5 17.9 -18.6 0.9 59 77 A N > - 0 0 20 -5,-0.3 3,-2.1 -2,-0.2 -1,-0.1 -0.362 22.7-122.5 -58.9 141.4 14.5 -18.2 -0.7 60 78 A K T 3 S+ 0 0 217 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.815 112.7 46.6 -58.8 -29.3 14.8 -19.0 -4.4 61 79 A D T 3 S+ 0 0 32 -10,-0.2 -1,-0.3 2,-0.1 -9,-0.1 0.260 81.6 132.7 -98.9 11.3 13.5 -15.5 -5.2 62 80 A A < - 0 0 27 -3,-2.1 2,-0.3 -11,-0.1 -11,-0.2 -0.341 37.1-165.7 -63.6 144.9 15.8 -13.6 -2.8 63 81 A L E -M 50 0C 52 -13,-2.6 -13,-2.3 32,-0.0 2,-0.4 -0.975 18.1-142.8-135.2 145.6 17.6 -10.6 -4.3 64 82 A R E +M 49 0C 130 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.915 27.3 172.2-105.1 136.6 20.4 -8.3 -3.5 65 83 A R E -M 48 0C 22 -17,-2.8 -17,-3.1 -2,-0.4 26,-0.1 -0.892 17.7-147.9-137.1 167.5 20.2 -4.7 -4.4 66 84 A F - 0 0 92 -2,-0.3 26,-1.6 -19,-0.2 2,-0.3 -0.919 34.6 -88.9-133.1 155.0 22.1 -1.5 -3.7 67 85 A P E +N 91 0C 38 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.522 39.8 168.4 -68.2 129.4 21.2 2.1 -3.3 68 86 A K E S+ 0 0 111 22,-3.9 2,-0.3 1,-0.4 23,-0.2 0.643 76.5 20.9-104.0 -34.3 21.0 4.0 -6.6 69 87 A E E S-N 90 0C 52 21,-1.6 21,-2.0 2,-0.0 -1,-0.4 -0.973 71.2-170.9-130.0 150.3 19.3 7.1 -5.1 70 88 A K E +N 89 0C 86 -2,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.978 6.0 175.7-148.4 127.4 19.3 8.0 -1.5 71 89 A Y E +N 88 0C 47 17,-2.6 17,-2.6 -2,-0.4 2,-0.3 -0.979 6.0 160.0-135.2 147.2 17.3 10.7 0.3 72 90 A F - 0 0 92 -2,-0.4 2,-0.3 15,-0.2 15,-0.1 -0.909 46.7 -73.1-152.3 175.0 16.8 11.9 3.8 73 91 A c - 0 0 3 13,-0.5 3,-0.3 11,-0.4 155,-0.1 -0.559 25.2-169.6 -82.9 138.6 15.6 15.1 5.5 74 92 A L S S+ 0 0 159 -2,-0.3 -1,-0.1 1,-0.2 154,-0.0 0.207 80.3 70.5-105.1 8.8 17.7 18.2 5.6 75 93 A N S S+ 0 0 58 155,-0.1 -1,-0.2 9,-0.1 2,-0.1 -0.120 70.2 137.9-116.2 34.8 15.4 20.0 8.1 76 94 A T - 0 0 56 -3,-0.3 2,-0.2 7,-0.1 8,-0.0 -0.416 47.5-130.2 -79.0 154.8 16.3 17.8 11.1 77 95 A R - 0 0 128 -2,-0.1 6,-0.5 1,-0.1 -1,-0.1 -0.661 1.3-149.9 -95.2 162.8 16.9 19.1 14.7 78 96AA N S S+ 0 0 162 -2,-0.2 4,-0.1 1,-0.1 -1,-0.1 0.567 88.8 66.5-106.5 -16.5 20.0 18.2 16.7 79 96 A D S S+ 0 0 108 2,-0.1 2,-0.3 3,-0.0 -1,-0.1 0.563 94.3 64.1 -87.4 -9.8 18.3 18.4 20.2 80 97 A T S > S- 0 0 18 78,-0.0 3,-0.6 0, 0.0 2,-0.5 -0.754 99.1 -95.7-105.5 163.2 15.9 15.5 19.7 81 98 A I T 3 S- 0 0 76 74,-3.2 76,-0.4 -2,-0.3 4,-0.2 -0.684 93.7 -23.4 -86.2 121.9 17.2 11.9 19.2 82 99 A W T > S- 0 0 112 -2,-0.5 3,-0.6 1,-0.1 -1,-0.3 0.908 83.2-153.4 45.9 55.8 17.5 10.9 15.6 83 100 A D T < S+ 0 0 2 -3,-0.6 3,-0.2 -6,-0.5 -1,-0.1 -0.324 72.6 5.8 -57.2 138.7 15.0 13.4 14.3 84 101 A K T 3 S- 0 0 3 74,-0.4 2,-2.1 1,-0.2 -11,-0.4 0.943 79.9-167.3 51.4 57.9 13.2 12.4 11.1 85 102 A D < + 0 0 1 -3,-0.6 2,-0.3 -4,-0.2 123,-0.3 -0.533 42.1 114.5 -82.1 82.3 14.8 9.0 11.2 86 103 A I - 0 0 0 -2,-2.1 -13,-0.5 -48,-0.2 2,-0.4 -0.991 40.0-174.5-152.9 140.1 13.9 8.0 7.6 87 104 A M E -L 37 0C 3 -50,-2.4 -50,-2.6 -2,-0.3 2,-0.5 -0.986 12.4-152.3-142.7 132.5 15.8 7.4 4.4 88 105 A L E -LN 36 71C 0 -17,-2.6 -17,-2.6 -2,-0.4 2,-0.4 -0.923 18.2-172.4-108.9 125.6 14.3 6.7 1.1 89 106 A I E -LN 35 70C 0 -54,-2.9 -54,-2.8 -2,-0.5 2,-0.5 -0.955 18.4-148.9-123.1 131.8 16.4 4.6 -1.3 90 107 A R E -LN 34 69C 69 -21,-2.0 -22,-3.9 -2,-0.4 -21,-1.6 -0.888 29.7-126.3 -94.8 132.4 15.9 3.8 -4.9 91 108 A L E - 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