==== 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 04-MAR-03 1OP0 . COMPND 2 MOLECULE: VENOM SERINE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINAGKISTRODON ACUTUS; . AUTHOR Z.ZHU,M.TENG,L.NIU . 234 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 59.8 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 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 2.1 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 . 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 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.3 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 3 5 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,-0.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 124.3 9.0 31.9 36.1 2 17 A I B +A 174 0A 10 172,-2.7 172,-1.4 1,-0.2 125,-0.1 -0.809 360.0 30.0-111.5 155.3 9.8 32.1 39.8 3 18 A G S S+ 0 0 47 123,-0.4 138,-0.2 -2,-0.3 -1,-0.2 0.667 104.2 92.1 75.9 16.9 13.0 31.3 41.6 4 19 A G - 0 0 19 -3,-0.3 2,-0.3 136,-0.1 -1,-0.3 -0.429 65.5-121.0-124.6-160.4 15.1 32.3 38.6 5 20 A N E -B 139 0B 128 134,-2.4 134,-3.7 -2,-0.1 2,-0.0 -0.832 47.4 -64.0-138.7 173.7 16.9 35.3 37.0 6 21 A E E -B 138 0B 108 132,-0.3 132,-0.3 -2,-0.3 3,-0.1 -0.373 59.8-114.6 -62.6 138.6 16.7 37.3 33.8 7 22 A a - 0 0 3 130,-2.7 2,-0.2 1,-0.1 -1,-0.1 -0.352 31.9 -97.4 -72.7 156.7 17.6 35.1 30.8 8 23 A D > - 0 0 87 1,-0.1 3,-1.4 -2,-0.1 4,-0.3 -0.538 34.5-122.2 -70.5 141.0 20.7 35.8 28.7 9 24 A I T 3 S+ 0 0 60 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.681 109.8 43.1 -61.3 -16.5 19.7 37.8 25.7 10 25 A N T 3 S+ 0 0 66 1,-0.1 3,-0.4 2,-0.1 -1,-0.3 0.408 94.5 77.5-109.9 1.8 21.1 35.2 23.4 11 26 A E S < S+ 0 0 60 -3,-1.4 -2,-0.1 1,-0.2 -1,-0.1 0.376 92.1 49.6 -94.4 6.0 19.9 32.0 25.0 12 27 A H > + 0 0 7 -4,-0.3 3,-1.4 -3,-0.2 -1,-0.2 -0.192 57.1 138.1-137.3 46.7 16.3 32.0 23.9 13 28 A R T 3 S+ 0 0 89 -3,-0.4 90,-1.4 1,-0.3 39,-0.3 0.719 78.5 51.2 -64.0 -22.1 16.4 32.6 20.1 14 29 A F T 3 S+ 0 0 26 88,-0.2 16,-2.5 -3,-0.1 2,-0.4 0.488 84.1 113.8 -92.9 -7.2 13.6 30.0 19.6 15 30 A L E < -I 29 0C 3 -3,-1.4 37,-0.5 14,-0.2 2,-0.4 -0.531 49.7-162.3 -74.3 126.3 11.3 31.5 22.2 16 31 A V E -IJ 28 51C 0 12,-3.0 12,-1.4 -2,-0.4 2,-0.5 -0.878 8.9-142.8-111.7 139.2 8.1 33.0 20.8 17 32 A A E -IJ 27 50C 0 33,-2.4 33,-2.7 -2,-0.4 2,-0.5 -0.876 8.9-154.3-103.1 126.7 5.8 35.4 22.5 18 33 A F E +IJ 26 49C 0 8,-3.1 7,-2.6 -2,-0.5 8,-1.2 -0.859 29.6 156.8 -98.4 131.6 2.0 35.1 22.0 19 34 A F E -IJ 24 48C 36 29,-2.6 29,-2.9 -2,-0.5 2,-0.2 -0.966 29.3-167.4-151.1 165.8 0.1 38.3 22.4 20 35 A N E > -I 23 0C 49 3,-1.6 3,-1.0 -2,-0.3 27,-0.1 -0.732 60.1 -71.9-137.1-175.0 -3.1 40.3 21.7 21 36 A T T 3 S+ 0 0 151 1,-0.3 3,-0.1 -2,-0.2 26,-0.1 0.622 131.3 56.2 -62.9 -10.5 -3.8 44.0 22.2 22 38 A T T 3 S- 0 0 132 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.776 118.7 -94.4 -89.0 -29.1 -3.9 43.5 25.9 23 39 A G E < -I 20 0C 29 -3,-1.0 -3,-1.6 0, 0.0 -1,-0.3 -0.911 58.9 -25.2 146.3-174.0 -0.5 42.0 26.1 24 40 A F E +I 19 0C 60 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.448 48.8 163.2 -68.4 142.6 1.6 38.8 26.2 25 41 A F E + 0 0 52 -7,-2.6 2,-0.3 1,-0.4 155,-0.2 0.448 57.4 14.5-140.1 -8.2 -0.3 35.7 27.4 26 42 A b E -I 18 0C 9 -8,-1.2 -8,-3.1 153,-0.1 -1,-0.4 -0.988 59.2-129.8-161.6 166.1 1.7 32.7 26.3 27 43 A G E -I 17 0C 5 153,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.676 21.2-176.8-115.9 172.1 4.9 31.4 25.0 28 44 A G E -I 16 0C 0 -12,-1.4 -12,-3.0 -2,-0.2 2,-0.5 -0.973 22.4-116.9-161.1 168.4 5.8 29.1 22.1 29 45 A T E -IK 15 37C 0 8,-2.8 8,-2.8 -2,-0.3 2,-0.7 -0.964 14.4-140.5-122.9 128.1 8.7 27.4 20.4 30 46 A L E + K 0 36C 0 -16,-2.5 75,-2.6 -2,-0.5 6,-0.2 -0.759 25.4 172.6 -82.9 114.5 10.0 28.0 16.9 31 47 A I E - 0 0 15 4,-2.2 76,-0.2 -2,-0.7 -1,-0.2 0.566 65.0 -9.4-101.5 -11.0 10.9 24.5 15.6 32 48 A N E > S- K 0 35C 40 3,-1.1 3,-1.1 74,-0.1 -1,-0.3 -0.949 91.2 -72.1-171.1 169.7 11.6 25.4 11.9 33 49 A P T 3 S+ 0 0 59 0, 0.0 63,-1.6 0, 0.0 61,-0.1 0.737 128.1 23.1 -44.9 -34.5 11.2 28.4 9.6 34 50 A E T 3 S+ 0 0 76 61,-0.2 58,-2.9 1,-0.1 2,-0.4 0.359 110.2 78.2-118.8 5.5 7.4 28.2 9.3 35 51 A W E < -KL 32 91C 14 -3,-1.1 -4,-2.2 56,-0.2 -3,-1.1 -0.958 44.4-176.2-130.6 138.8 6.2 26.3 12.4 36 52 A V E -KL 30 90C 0 54,-2.6 54,-2.8 -2,-0.4 2,-0.4 -0.961 12.6-152.8-124.9 138.5 5.7 27.1 16.1 37 53 A V E +KL 29 89C 0 -8,-2.8 -8,-2.8 -2,-0.4 2,-0.2 -0.937 29.4 144.1-112.8 135.0 4.7 24.6 18.8 38 54 A T E - L 0 88C 0 50,-2.5 50,-2.6 -2,-0.4 2,-0.3 -0.749 51.4 -64.3-148.0-167.0 2.8 25.7 21.9 39 55 A A > - 0 0 0 -12,-0.4 3,-1.9 48,-0.3 48,-0.2 -0.722 34.7-131.5 -93.2 142.4 0.1 24.5 24.3 40 56 A A G > S+ 0 0 13 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.840 106.9 61.5 -59.7 -33.1 -3.5 23.9 23.0 41 57 A H G 3 S+ 0 0 73 1,-0.3 -1,-0.3 41,-0.2 139,-0.1 0.518 91.1 68.9 -75.8 1.7 -4.9 25.9 25.9 42 58 A b G < S+ 0 0 4 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.417 75.7 117.8 -92.5 -2.6 -3.0 29.0 24.6 43 59 A D < + 0 0 72 -3,-1.7 2,-0.3 -4,-0.1 3,-0.0 -0.366 36.1 164.9 -68.1 144.4 -5.4 29.1 21.6 44 60 A S - 0 0 33 -2,-0.1 3,-0.2 1,-0.1 -2,-0.0 -0.958 47.0-111.1-152.4 163.8 -7.6 32.2 21.1 45 62 A T S S+ 0 0 152 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.827 104.9 28.2 -71.0 -31.7 -9.6 33.6 18.3 46 63 A D S S+ 0 0 114 -3,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.922 79.3 121.2-138.1 113.2 -7.4 36.6 17.8 47 64 A F - 0 0 8 -2,-0.4 2,-0.3 -3,-0.2 -27,-0.2 -0.983 33.7-151.3-161.0 161.6 -3.6 36.7 18.6 48 65 A Q E -J 19 0C 68 -29,-2.9 -29,-2.6 -2,-0.3 2,-0.4 -0.820 17.5-125.3-131.2 171.6 -0.2 37.4 17.0 49 66 A M E -JM 18 66C 0 17,-2.7 17,-2.9 -2,-0.3 2,-0.5 -0.970 10.3-154.5-125.9 138.6 3.3 36.1 17.6 50 67 A Q E -JM 17 65C 22 -33,-2.7 -33,-2.4 -2,-0.4 2,-0.3 -0.953 13.6-165.8-114.7 124.1 6.4 38.2 18.2 51 68 A L E +JM 16 64C 2 13,-3.3 13,-2.3 -2,-0.5 -35,-0.1 -0.807 66.4 25.8-108.8 150.2 9.8 36.6 17.4 52 69 A G S S+ 0 0 4 -37,-0.5 2,-0.3 49,-0.3 -1,-0.2 0.674 85.1 148.9 74.9 19.7 13.3 37.7 18.5 53 70 A V + 0 0 2 -38,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.607 16.8 149.2 -90.1 144.3 12.0 39.5 21.6 54 71 A H S S+ 0 0 10 1,-0.6 2,-0.3 4,-0.3 -1,-0.2 0.393 71.1 30.9-128.9 -76.9 13.8 40.0 24.9 55 72 A S - 0 0 20 3,-0.5 -1,-0.6 81,-0.2 81,-0.2 -0.688 63.5-148.0 -90.1 139.9 12.7 43.2 26.5 56 73 A K S S+ 0 0 80 79,-2.0 -1,-0.1 -2,-0.3 3,-0.1 0.732 100.5 41.8 -74.9 -24.0 9.1 44.5 25.9 57 74 A K S S+ 0 0 156 1,-0.2 2,-0.7 78,-0.1 -1,-0.2 0.793 110.1 55.6 -92.6 -35.6 10.3 48.1 26.2 58 75 A V S S- 0 0 101 77,-0.1 -3,-0.5 0, 0.0 -4,-0.3 -0.896 83.1-136.9-107.1 111.2 13.6 47.9 24.2 59 76 A L - 0 0 136 -2,-0.7 2,-0.3 -3,-0.1 -3,-0.1 -0.310 9.3-132.6 -65.2 140.8 13.1 46.6 20.7 60 77 A N > - 0 0 17 -5,-0.1 3,-1.4 1,-0.1 -1,-0.1 -0.741 21.9-123.5 -89.4 145.9 15.6 44.2 19.3 61 78 A E T 3 S+ 0 0 148 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.859 108.5 42.7 -57.5 -39.4 16.7 45.2 15.8 62 79 A D T 3 S+ 0 0 24 -10,-0.2 -1,-0.2 2,-0.0 -9,-0.1 0.151 80.4 142.8 -97.1 19.1 15.7 41.9 14.1 63 80 A E < - 0 0 35 -3,-1.4 2,-0.3 -11,-0.1 -11,-0.2 -0.326 31.0-164.3 -61.7 138.3 12.3 41.5 15.9 64 81 A Q E -M 51 0C 77 -13,-2.3 -13,-3.3 2,-0.0 2,-0.4 -0.961 13.7-147.1-129.6 146.9 9.6 40.0 13.7 65 82 A T E -M 50 0C 61 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.916 22.1-179.7-111.4 137.7 5.8 39.8 14.0 66 83 A R E -M 49 0C 17 -17,-2.9 -17,-2.7 -2,-0.4 26,-0.0 -0.956 16.7-141.7-137.1 156.2 3.9 36.8 12.6 67 84 A N - 0 0 62 -2,-0.3 26,-1.7 -19,-0.2 2,-0.8 -0.843 30.7-103.7-116.5 153.2 0.3 35.7 12.3 68 85 A P E +N 92 0C 38 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.648 35.2 177.2 -78.3 107.8 -1.2 32.2 12.6 69 86 A K E S+ 0 0 127 22,-2.6 2,-0.3 -2,-0.8 23,-0.2 0.920 72.9 0.9 -75.2 -45.3 -1.9 31.0 9.1 70 87 A E E -N 91 0C 86 21,-1.2 21,-2.8 2,-0.0 2,-0.4 -0.994 66.6-154.8-144.3 146.2 -3.1 27.6 10.2 71 88 A K E -N 90 0C 83 -2,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.965 7.9-166.4-125.2 139.6 -3.5 26.0 13.6 72 89 A F E +N 89 0C 25 17,-3.2 17,-3.1 -2,-0.4 2,-0.3 -0.979 11.5 167.8-132.5 126.5 -3.5 22.3 14.4 73 90 A I E -N 88 0C 66 -2,-0.4 15,-0.1 15,-0.2 13,-0.1 -0.859 54.4 -72.0-124.4 162.3 -4.6 20.4 17.6 74 91 A c > - 0 0 2 13,-0.5 3,-1.1 11,-0.4 157,-0.1 -0.322 34.6-146.2 -56.4 128.1 -5.1 16.7 18.0 75 92 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.866 100.4 53.1 -63.6 -33.6 -8.2 15.6 16.2 76 93 A N T 3 S+ 0 0 58 2,-0.1 2,-0.4 156,-0.0 -2,-0.1 -0.166 83.3 125.4 -95.9 39.7 -8.7 13.0 18.9 77 94 A K < - 0 0 29 -3,-1.1 2,-0.8 -2,-0.1 8,-0.1 -0.808 61.0-129.7 -99.8 139.1 -8.5 15.4 21.8 78 95 A N > - 0 0 67 -2,-0.4 3,-1.8 3,-0.2 6,-0.3 -0.796 13.1-155.6 -89.1 112.9 -11.2 15.7 24.4 79 95AA N T 3 S+ 0 0 124 -2,-0.8 -1,-0.1 1,-0.3 3,-0.1 0.515 89.5 62.0 -67.2 -4.8 -12.1 19.4 24.7 80 96 A N T 3 S+ 0 0 151 1,-0.2 2,-0.6 2,-0.0 -1,-0.3 0.442 93.4 69.6 -99.5 -0.8 -13.4 18.9 28.2 81 97 A E X - 0 0 58 -3,-1.8 3,-1.8 1,-0.1 -1,-0.2 -0.895 60.2-170.2-121.1 100.3 -10.0 17.8 29.5 82 98 A V T 3 S+ 0 0 71 -2,-0.6 -41,-0.2 1,-0.3 -1,-0.1 0.721 89.6 52.2 -61.7 -21.0 -7.5 20.6 29.6 83 99 A L T 3 S+ 0 0 9 73,-0.1 2,-0.7 2,-0.1 3,-0.5 0.461 85.4 101.8 -94.4 -2.6 -4.7 18.1 30.4 84 100 A D S < S- 0 0 18 -3,-1.8 3,-0.2 -6,-0.3 -3,-0.1 -0.749 106.9 -26.5 -87.0 116.9 -5.6 15.8 27.5 85 101 A K S S- 0 0 16 -2,-0.7 2,-1.9 1,-0.2 -11,-0.4 0.912 75.1-171.3 46.4 58.1 -3.2 16.3 24.6 86 102 A D + 0 0 3 -3,-0.5 2,-0.3 76,-0.1 -1,-0.2 -0.550 42.4 106.2 -82.1 80.0 -2.3 19.9 25.5 87 103 A I - 0 0 0 -2,-1.9 -13,-0.5 -48,-0.2 2,-0.4 -0.977 43.4-170.7-157.2 141.0 -0.3 20.8 22.4 88 104 A M E -LN 38 73C 0 -50,-2.6 -50,-2.5 -2,-0.3 2,-0.4 -1.000 12.1-147.7-140.2 139.9 -0.9 22.9 19.3 89 105 A L E -LN 37 72C 1 -17,-3.1 -17,-3.2 -2,-0.4 2,-0.4 -0.888 15.5-165.4-107.1 134.7 1.0 23.3 16.1 90 106 A I E -LN 36 71C 0 -54,-2.8 -54,-2.6 -2,-0.4 2,-0.5 -0.981 10.1-151.5-126.8 128.8 0.9 26.7 14.3 91 107 A K E -LN 35 70C 45 -21,-2.8 -22,-2.6 -2,-0.4 -21,-1.2 -0.843 26.5-124.1 -97.0 129.0 2.0 27.4 10.7 92 108 A L E - 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