==== 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 1OP2 . 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) . 10314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 58.5 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 . 73 31.2 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 . 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 . 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 . 17 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.8 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 4 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 1 0, 0.0 3,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 131.8 39.5 -8.9 1.9 2 17 A I B +A 174 0A 15 172,-3.1 172,-1.0 1,-0.2 125,-0.1 -0.766 360.0 14.1-103.9 147.0 37.4 -11.7 0.4 3 18 A G S S+ 0 0 50 123,-0.4 -1,-0.2 -2,-0.3 2,-0.1 0.754 101.3 108.8 65.0 25.8 35.0 -11.4 -2.6 4 19 A G - 0 0 17 -3,-0.3 2,-0.3 136,-0.1 136,-0.2 -0.410 59.7-124.4-117.3-164.9 36.4 -8.1 -3.8 5 20 A N E -B 139 0B 130 134,-2.3 134,-3.3 -2,-0.1 -3,-0.0 -0.891 47.8 -68.5-136.7 166.0 38.4 -6.6 -6.6 6 21 A E E -B 138 0B 106 -2,-0.3 132,-0.3 132,-0.2 3,-0.1 -0.334 59.8-115.9 -57.4 132.7 41.6 -4.6 -6.7 7 22 A a - 0 0 3 130,-2.6 2,-0.1 115,-0.1 -1,-0.1 -0.299 35.8 -91.7 -67.6 159.1 40.8 -1.1 -5.3 8 23 A D > - 0 0 87 1,-0.1 3,-1.3 3,-0.0 4,-0.3 -0.428 32.7-119.5 -70.6 147.0 41.1 1.9 -7.6 9 24 A I T 3 S+ 0 0 59 1,-0.2 3,-0.3 2,-0.1 -1,-0.1 0.784 110.8 37.9 -57.9 -29.6 44.6 3.6 -7.5 10 25 A N T 3 S+ 0 0 65 1,-0.1 3,-0.4 2,-0.1 -1,-0.2 0.308 95.4 79.9-108.6 10.0 43.0 6.9 -6.3 11 26 A E S < S+ 0 0 57 -3,-1.3 -1,-0.1 1,-0.2 -2,-0.1 0.405 90.6 49.4 -98.3 4.7 40.3 5.8 -3.8 12 27 A H > + 0 0 10 -4,-0.3 3,-1.4 -3,-0.3 40,-0.2 -0.181 55.1 138.5-136.7 47.2 42.4 5.1 -0.7 13 28 A R T 3 S+ 0 0 93 -3,-0.4 90,-1.7 1,-0.3 39,-0.2 0.677 79.3 51.4 -63.8 -18.8 44.7 8.1 -0.2 14 29 A F T 3 S+ 0 0 28 88,-0.2 16,-2.6 -3,-0.1 2,-0.4 0.476 82.6 111.9 -96.3 -8.1 44.0 7.8 3.6 15 30 A L E < -I 29 0C 2 -3,-1.4 37,-0.6 14,-0.2 38,-0.4 -0.578 50.1-162.6 -75.8 123.9 44.9 4.1 3.9 16 31 A V E -IJ 28 51C 0 12,-2.8 12,-1.4 -2,-0.4 2,-0.5 -0.855 8.8-143.9-109.0 140.4 48.0 3.4 5.9 17 32 A A E -IJ 27 50C 0 33,-2.3 33,-2.6 -2,-0.4 2,-0.5 -0.893 9.7-153.0-105.4 128.3 50.0 0.1 6.0 18 33 A F E +IJ 26 49C 0 8,-3.1 7,-2.5 -2,-0.5 8,-1.2 -0.861 27.8 159.2 -99.6 132.7 51.7 -1.0 9.2 19 34 A F E -IJ 24 48C 40 29,-2.3 29,-2.9 -2,-0.5 2,-0.2 -0.977 22.3-178.6-150.8 161.8 54.7 -3.2 8.9 20 35 A N E > -I 23 0C 41 3,-1.6 3,-3.1 -2,-0.3 27,-0.1 -0.739 64.3 -57.1-142.1-170.1 57.9 -4.5 10.6 21 36 A T T 3 S+ 0 0 153 1,-0.3 3,-0.1 -2,-0.2 26,-0.1 0.678 134.7 54.5 -51.8 -17.3 60.7 -6.8 9.5 22 38 A T T 3 S- 0 0 121 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.482 114.4-113.5 -95.9 -2.6 58.2 -9.5 8.7 23 39 A G E < -I 20 0C 27 -3,-3.1 -3,-1.6 2,-0.0 -1,-0.3 -0.698 62.5 -4.1 110.7-164.3 56.1 -7.3 6.4 24 40 A F E +I 19 0C 65 -2,-0.2 -5,-0.2 -5,-0.2 3,-0.1 -0.442 53.8 157.2 -68.9 140.1 52.6 -5.9 6.4 25 41 A F E + 0 0 51 -7,-2.5 2,-0.3 1,-0.4 155,-0.2 0.470 60.4 12.1-140.1 -12.7 50.4 -6.9 9.4 26 42 A b E -I 18 0C 9 -8,-1.2 -8,-3.1 153,-0.1 -1,-0.4 -0.980 59.2-132.1-160.0 165.8 47.8 -4.2 9.7 27 43 A G E -I 17 0C 5 153,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.609 22.2-173.3-114.4 178.6 46.2 -1.2 8.1 28 44 A G E -I 16 0C 0 -12,-1.4 -12,-2.8 -2,-0.2 2,-0.5 -0.967 20.7-117.0-163.0 172.1 45.4 2.2 9.4 29 45 A T E -IK 15 37C 0 8,-2.5 8,-2.4 -2,-0.3 2,-0.6 -0.966 14.5-141.0-129.0 121.5 43.6 5.5 8.6 30 46 A L E + K 0 36C 2 -16,-2.6 75,-2.8 -2,-0.5 6,-0.2 -0.663 23.5 174.4 -75.8 119.5 45.2 8.9 8.3 31 47 A I E - 0 0 14 4,-2.1 76,-0.2 -2,-0.6 -1,-0.2 0.573 65.6 -10.3-103.6 -14.4 42.8 11.4 9.9 32 48 A N E > S- K 0 35C 37 3,-1.1 3,-0.9 74,-0.1 -1,-0.3 -0.947 91.8 -71.1-168.4 171.3 44.9 14.5 9.7 33 49 A P T 3 S+ 0 0 61 0, 0.0 63,-1.6 0, 0.0 61,-0.1 0.725 128.3 22.7 -43.9 -33.2 48.5 15.5 8.9 34 50 A E T 3 S+ 0 0 70 61,-0.2 58,-3.0 57,-0.0 2,-0.4 0.450 109.2 77.5-118.8 -2.3 50.0 14.0 12.1 35 51 A W E < -KL 32 91C 13 -3,-0.9 -4,-2.1 56,-0.2 -3,-1.1 -0.928 45.3-175.5-123.3 141.4 47.5 11.4 13.4 36 52 A V E -KL 30 90C 0 54,-2.4 54,-2.9 -2,-0.4 2,-0.4 -0.968 11.6-152.6-127.2 140.7 46.7 7.8 12.4 37 53 A V E +KL 29 89C 1 -8,-2.4 -8,-2.5 -2,-0.4 2,-0.2 -0.941 28.9 143.4-116.1 135.3 43.9 5.6 13.8 38 54 A T E - L 0 88C 0 50,-2.2 50,-2.5 -2,-0.4 2,-0.3 -0.799 52.1 -64.3-149.9-171.6 44.1 1.8 13.9 39 55 A A > - 0 0 0 -12,-0.4 3,-1.5 48,-0.3 48,-0.3 -0.629 35.8-131.1 -86.7 146.6 43.2 -1.2 16.1 40 56 A A G > S+ 0 0 10 1,-0.3 3,-1.9 -2,-0.3 -1,-0.1 0.863 105.5 63.1 -63.7 -35.5 44.8 -1.6 19.5 41 57 A H G 3 S+ 0 0 78 1,-0.3 -1,-0.3 41,-0.2 139,-0.0 0.452 90.7 68.7 -72.4 4.5 45.6 -5.2 18.8 42 58 A b G < S+ 0 0 5 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.500 74.1 120.6 -94.6 -7.9 47.9 -4.1 16.0 43 59 A D < + 0 0 72 -3,-1.9 2,-0.3 -4,-0.2 3,-0.0 -0.270 35.7 168.1 -61.5 140.9 50.3 -2.5 18.5 44 60 A S - 0 0 37 1,-0.1 3,-0.2 3,-0.0 -2,-0.1 -0.931 45.3-114.1-146.6 166.2 53.9 -3.9 18.5 45 62 A T S S+ 0 0 116 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.855 105.1 24.8 -75.3 -34.8 57.2 -2.8 20.0 46 63 A N S S+ 0 0 124 -3,-0.0 2,-0.3 2,-0.0 -1,-0.3 -0.913 80.3 125.8-137.3 109.9 58.9 -2.1 16.6 47 64 A F - 0 0 13 -2,-0.4 2,-0.3 -3,-0.2 -27,-0.2 -0.970 33.5-150.4-153.8 163.8 56.9 -1.1 13.5 48 65 A Q E -J 19 0C 76 -29,-2.9 -29,-2.3 -2,-0.3 2,-0.4 -0.821 16.0-126.2-131.3 171.0 56.7 1.6 10.9 49 66 A M E -JM 18 66C 0 17,-2.6 17,-2.7 -2,-0.3 2,-0.5 -0.980 11.4-157.8-126.8 135.7 54.0 3.0 8.7 50 67 A Q E -JM 17 65C 26 -33,-2.6 -33,-2.3 -2,-0.4 2,-0.3 -0.952 12.4-169.7-113.8 124.4 53.9 3.4 5.0 51 68 A L E +JM 16 64C 4 13,-3.0 13,-2.6 -2,-0.5 -35,-0.1 -0.867 64.8 30.9-114.0 149.2 51.6 6.0 3.4 52 69 A G S S+ 0 0 4 -37,-0.6 2,-0.3 -2,-0.3 8,-0.2 0.660 83.0 149.4 82.4 18.3 50.7 6.5 -0.3 53 70 A V + 0 0 3 -38,-0.4 -1,-0.3 -3,-0.3 3,-0.1 -0.655 14.6 146.1 -90.6 137.8 51.1 2.8 -1.1 54 71 A H S S+ 0 0 10 1,-0.6 2,-0.3 -2,-0.3 -1,-0.1 0.419 71.6 30.6-125.4 -79.0 49.1 0.9 -3.7 55 72 A S - 0 0 19 3,-0.5 -1,-0.6 81,-0.2 5,-0.3 -0.648 62.0-153.0 -86.2 142.0 51.3 -1.9 -5.2 56 73 A K S S+ 0 0 65 79,-2.1 3,-0.2 -2,-0.3 -1,-0.1 0.565 97.6 39.0 -87.0 -9.9 54.0 -3.4 -3.0 57 74 A K S S+ 0 0 151 1,-0.3 2,-0.7 78,-0.3 -1,-0.1 0.758 115.9 46.1-107.1 -40.0 56.1 -4.2 -6.1 58 75 A V S S- 0 0 111 0, 0.0 -3,-0.5 0, 0.0 -1,-0.3 -0.933 89.4-144.1-107.5 106.5 55.7 -1.2 -8.3 59 76 A L - 0 0 111 -2,-0.7 2,-0.2 -3,-0.2 -3,-0.1 -0.494 7.6-125.8 -79.7 139.0 56.1 1.8 -6.0 60 77 A N > - 0 0 28 -5,-0.3 3,-1.0 -2,-0.2 -1,-0.1 -0.533 24.6-128.5 -72.2 148.5 54.2 5.0 -6.3 61 78 A E T 3 S+ 0 0 203 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.681 103.7 56.0 -76.5 -15.9 56.8 7.8 -6.4 62 79 A D T 3 S+ 0 0 31 -10,-0.2 -1,-0.2 2,-0.1 -9,-0.1 0.103 74.4 139.2-103.8 22.6 55.2 9.8 -3.6 63 80 A E < - 0 0 34 -3,-1.0 2,-0.3 -11,-0.1 -11,-0.2 -0.324 34.5-159.6 -63.5 147.8 55.3 7.0 -1.0 64 81 A Q E -M 51 0C 76 -13,-2.6 -13,-3.0 2,-0.0 2,-0.4 -0.986 9.7-149.6-134.2 144.7 56.2 8.1 2.6 65 82 A T E +M 50 0C 61 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.933 19.7 178.0-114.1 134.9 57.6 6.3 5.6 66 83 A R E -M 49 0C 21 -17,-2.7 -17,-2.6 -2,-0.4 26,-0.0 -0.962 18.0-141.5-136.0 153.8 56.8 7.4 9.2 67 84 A N - 0 0 67 -2,-0.3 26,-1.9 -19,-0.2 2,-0.6 -0.827 32.6-100.7-113.1 152.0 57.6 6.2 12.7 68 85 A P E +N 92 0C 37 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.601 36.3 176.4 -74.0 116.6 55.3 6.2 15.8 69 86 A K E S+ 0 0 123 22,-2.8 2,-0.3 -2,-0.6 23,-0.2 0.933 71.5 6.3 -83.1 -52.1 56.2 9.1 18.0 70 87 A E E -N 91 0C 76 21,-1.3 21,-2.7 2,-0.0 2,-0.4 -0.986 64.9-154.4-135.5 143.5 53.4 8.6 20.5 71 88 A K E -N 90 0C 82 -2,-0.3 2,-0.5 19,-0.2 19,-0.2 -0.945 6.9-162.2-117.6 138.2 50.8 5.8 21.1 72 89 A F E +N 89 0C 20 17,-2.6 17,-2.4 -2,-0.4 2,-0.3 -0.969 12.1 172.1-126.9 120.0 47.5 6.3 22.8 73 90 A I E -N 88 0C 53 -2,-0.5 15,-0.1 15,-0.2 13,-0.1 -0.842 49.0 -84.0-118.0 154.8 45.4 3.4 24.2 74 91 A c > - 0 0 6 13,-0.5 3,-0.9 11,-0.4 157,-0.1 -0.394 33.0-143.6 -59.0 129.7 42.3 3.7 26.3 75 92 A P T 3 S+ 0 0 79 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.873 98.9 54.1 -64.2 -32.8 43.4 4.1 29.9 76 93 A N T 3 S+ 0 0 59 2,-0.1 2,-0.4 157,-0.0 -2,-0.1 -0.243 84.8 126.8 -96.2 46.8 40.4 2.0 31.0 77 94 A K < - 0 0 31 -3,-0.9 2,-0.9 -2,-0.5 8,-0.1 -0.858 60.1-133.2-110.1 139.3 41.2 -1.0 28.8 78 95 A N > - 0 0 73 -2,-0.4 3,-1.0 3,-0.2 6,-0.2 -0.788 17.2-155.7 -85.8 108.3 41.5 -4.7 29.8 79 95AA N T 3 S+ 0 0 133 -2,-0.9 -1,-0.1 1,-0.2 3,-0.1 0.397 88.7 58.8 -69.4 6.4 44.7 -5.6 27.9 80 96 A N T 3 S+ 0 0 141 1,-0.1 2,-0.8 2,-0.0 -1,-0.2 0.719 91.3 71.3-102.9 -29.8 43.5 -9.3 27.9 81 97 A E X - 0 0 88 -3,-1.0 3,-1.4 1,-0.2 -3,-0.2 -0.804 61.9-166.2 -93.9 107.3 40.2 -8.8 26.1 82 98 A V T 3 S+ 0 0 67 -2,-0.8 -41,-0.2 1,-0.3 -1,-0.2 0.831 88.8 55.3 -59.8 -35.1 40.9 -8.1 22.4 83 99 A L T 3 S+ 0 0 11 2,-0.1 2,-0.7 73,-0.1 3,-0.5 0.590 85.1 100.8 -76.7 -9.2 37.3 -7.0 21.9 84 100 A D S < S- 0 0 18 -3,-1.4 3,-0.2 1,-0.3 77,-0.1 -0.688 109.3 -32.0 -83.5 112.2 37.6 -4.4 24.7 85 101 A K S S- 0 0 18 -2,-0.7 2,-2.1 1,-0.2 -11,-0.4 0.922 74.0-168.8 45.1 60.5 38.1 -0.9 23.3 86 102 A D + 0 0 2 -3,-0.5 2,-0.3 -46,-0.1 -1,-0.2 -0.503 43.2 109.3 -81.5 74.3 40.1 -2.1 20.3 87 103 A I - 0 0 1 -2,-2.1 -13,-0.5 -48,-0.3 2,-0.4 -0.992 41.4-174.2-149.5 140.2 41.3 1.3 19.2 88 104 A M E -LN 38 73C 0 -50,-2.5 -50,-2.2 -2,-0.3 2,-0.4 -1.000 12.4-149.5-139.9 137.9 44.7 3.0 19.2 89 105 A L E -LN 37 72C 1 -17,-2.4 -17,-2.6 -2,-0.4 2,-0.5 -0.896 13.9-164.6-108.2 132.3 45.8 6.5 18.2 90 106 A I E -LN 36 71C 0 -54,-2.9 -54,-2.4 -2,-0.4 2,-0.6 -0.965 10.8-152.6-123.3 127.1 49.2 7.2 16.8 91 107 A K E -LN 35 70C 51 -21,-2.7 -22,-2.8 -2,-0.5 -21,-1.3 -0.849 28.1-126.2 -95.6 125.0 51.0 10.5 16.5 92 108 A L E - 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