==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUN-11 3S9C . COMPND 2 MOLECULE: VIPERA RUSSELLI PROTEINASE RVV-V GAMMA; . SOURCE 2 ORGANISM_SCIENTIFIC: DABOIA RUSSELLII SIAMENSIS; . AUTHOR D.NAKAYAMA,Y.BEN AMMAR,S.TAKEDA . 241 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 57.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 30.3 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 . 2 0.8 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 . 11 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.6 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 0 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 . 1 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 . 5 1 3 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 0 1 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,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 123.1 9.3 46.4 -4.9 2 17 A V B +A 174 0A 17 172,-2.3 172,-1.7 1,-0.2 127,-0.1 -0.754 360.0 26.7-103.3 152.4 9.4 50.2 -4.9 3 18 A G S S+ 0 0 50 125,-0.5 -1,-0.2 -2,-0.3 170,-0.1 0.549 103.7 95.0 78.3 8.7 12.4 52.4 -4.2 4 19 A G - 0 0 20 -3,-0.4 2,-0.3 124,-0.1 -1,-0.2 -0.219 64.6-121.9-113.5-157.3 14.8 49.8 -5.6 5 20 A D E -B 139 0B 125 134,-2.0 134,-3.0 -3,-0.1 3,-0.1 -0.873 47.9 -62.5-141.6 171.8 16.7 48.9 -8.8 6 21 A E E -B 138 0B 111 -2,-0.3 132,-0.3 132,-0.3 3,-0.1 -0.346 60.3-117.2 -58.5 135.4 16.9 45.8 -11.0 7 22 A a - 0 0 3 130,-2.8 2,-0.3 117,-0.1 -1,-0.1 -0.377 36.2 -92.0 -70.4 157.4 18.4 42.9 -9.0 8 23 A N > - 0 0 92 1,-0.1 3,-1.8 -3,-0.1 4,-0.4 -0.571 36.6-124.9 -70.1 134.1 21.7 41.5 -10.2 9 24 A I T 3 S+ 0 0 66 -2,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.691 107.4 41.6 -55.0 -19.8 20.8 38.7 -12.6 10 25 A N T 3 S+ 0 0 90 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.404 95.6 77.1-111.5 5.4 23.0 36.3 -10.6 11 26 A E S < S+ 0 0 59 -3,-1.8 -2,-0.1 1,-0.2 3,-0.1 0.466 90.6 52.8 -94.5 -2.5 22.1 37.2 -7.0 12 27 A H > + 0 0 8 -4,-0.4 3,-1.6 -3,-0.2 -1,-0.2 -0.222 53.5 141.2-129.8 49.7 18.6 35.5 -6.8 13 28 A P T 3 S+ 0 0 29 0, 0.0 92,-1.5 0, 0.0 41,-0.3 0.702 78.3 52.9 -63.9 -18.9 19.0 31.9 -7.8 14 29 A F T 3 S+ 0 0 23 90,-0.2 18,-2.5 -3,-0.1 2,-0.4 0.551 86.5 107.0 -90.4 -9.9 16.5 30.8 -5.1 15 30 A L E < -K 31 0C 1 -3,-1.6 39,-0.5 16,-0.2 40,-0.5 -0.551 48.5-175.4 -77.3 126.5 13.9 33.3 -6.3 16 31 A V E -K 30 0C 1 14,-2.3 14,-1.6 -2,-0.4 2,-0.4 -0.878 17.1-136.1-119.7 154.0 10.9 31.8 -8.1 17 32 A A E -KL 29 52C 0 35,-2.3 35,-2.4 -2,-0.3 2,-0.5 -0.903 13.0-149.9-110.3 135.0 8.0 33.4 -9.8 18 33 A L E +KL 28 51C 0 10,-3.0 9,-1.6 -2,-0.4 10,-1.2 -0.886 32.3 137.6-107.3 134.6 4.4 32.3 -9.4 19 34 A Y E - L 0 50C 38 31,-2.4 31,-2.4 -2,-0.5 2,-0.3 -0.673 40.8-109.5-146.8-160.5 1.8 32.7 -12.2 20 35 A T E > -KL 23 49C 19 3,-1.2 3,-0.5 5,-0.3 29,-0.2 -0.872 25.4-108.1-137.0 174.6 -1.0 30.5 -13.6 21 36 A S T 3 S+ 0 0 69 27,-1.5 28,-0.1 -2,-0.3 3,-0.1 0.740 118.3 56.6 -73.3 -21.0 -1.8 28.6 -16.8 22 36AA A T 3 S+ 0 0 82 26,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.661 115.5 21.9 -85.6 -15.9 -4.4 31.2 -17.5 23 37 A S E < -K 20 0C 52 -3,-0.5 -3,-1.2 2,-0.1 -1,-0.1 -0.996 53.8-141.3-152.7 155.1 -2.1 34.2 -17.4 24 38 A S E + 0 0 85 -2,-0.3 2,-0.1 -5,-0.1 -1,-0.1 0.484 68.8 119.4 -91.6 -5.3 1.6 35.4 -17.7 25 39 A T E - 0 0 84 1,-0.1 2,-0.8 2,-0.0 -5,-0.3 -0.399 66.1-133.5 -61.2 130.1 1.0 37.9 -14.9 26 40 A I E + 0 0 14 99,-0.2 -7,-0.2 1,-0.2 -1,-0.1 -0.792 28.6 175.8 -88.2 110.8 3.3 37.1 -12.0 27 41 A H E - 0 0 27 -9,-1.6 2,-0.3 -2,-0.8 153,-0.3 0.607 61.8 -7.0 -92.9 -9.9 1.1 37.3 -8.9 28 42 A b E -K 18 0C 1 -10,-1.2 -10,-3.0 151,-0.1 2,-0.2 -0.965 59.6-131.3-166.1 174.1 3.7 36.3 -6.3 29 43 A A E -K 17 0C 0 151,-2.6 12,-0.5 -2,-0.3 2,-0.3 -0.663 19.7-175.9-125.7-178.4 7.2 35.0 -5.8 30 44 A G E -K 16 0C 0 -14,-1.6 -14,-2.3 -2,-0.2 2,-0.4 -0.924 22.6-110.4-162.8-178.5 8.5 32.2 -3.7 31 45 A A E -KM 15 39C 0 8,-2.4 8,-3.0 -2,-0.3 2,-0.5 -0.994 17.8-129.9-133.2 135.6 11.9 30.6 -2.7 32 46 A L E + M 0 38C 1 -18,-2.5 75,-2.2 -2,-0.4 6,-0.2 -0.699 25.8 176.2 -77.7 127.2 13.4 27.3 -3.6 33 47 A I E - 0 0 21 4,-2.5 2,-0.3 -2,-0.5 -1,-0.1 0.516 66.8 -13.9-112.4 -6.7 14.6 25.6 -0.4 34 48 A N E > S- M 0 37C 37 3,-0.9 3,-0.9 71,-0.1 -1,-0.3 -0.930 93.0 -67.1-171.7-179.2 15.8 22.3 -1.9 35 49 A R T 3 S+ 0 0 128 -2,-0.3 63,-2.4 1,-0.2 61,-0.1 0.690 128.3 21.0 -58.3 -23.0 15.5 20.5 -5.2 36 50 A E T 3 S+ 0 0 53 61,-0.2 58,-3.0 1,-0.1 2,-0.4 0.300 108.1 81.6-131.6 16.4 11.8 19.7 -5.0 37 51 A W E < -MN 34 93C 3 -3,-0.9 -4,-2.5 56,-0.2 -3,-0.9 -0.972 46.4-170.4-131.3 135.9 10.3 22.3 -2.6 38 52 A V E -MN 32 92C 0 54,-2.8 54,-2.8 -2,-0.4 2,-0.5 -0.968 11.2-152.6-120.5 133.9 9.2 25.9 -2.8 39 53 A L E +MN 31 91C 0 -8,-3.0 -8,-2.4 -2,-0.4 2,-0.2 -0.900 35.0 135.7-105.4 129.8 8.3 28.1 0.2 40 54 A T E - N 0 90C 0 50,-2.5 50,-2.2 -2,-0.5 2,-0.3 -0.747 54.4 -64.5-151.8-164.0 5.8 30.9 -0.4 41 55 A A > - 0 0 0 -12,-0.5 3,-1.5 48,-0.3 48,-0.2 -0.758 35.0-128.5 -98.9 147.6 2.7 32.6 1.1 42 56 A A G > S+ 0 0 16 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.862 107.4 60.2 -59.4 -36.7 -0.6 30.8 1.5 43 57 A H G 3 S+ 0 0 29 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.624 92.0 69.4 -71.7 -5.5 -2.5 33.6 -0.2 44 58 A b G < S+ 0 0 0 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.519 73.8 118.4 -84.4 -7.9 -0.4 33.0 -3.4 45 59 A D < + 0 0 51 -3,-1.7 2,-0.3 -4,-0.2 3,-0.0 -0.304 39.0 177.0 -61.4 143.1 -2.1 29.7 -4.0 46 60 A R > - 0 0 97 -27,-0.1 3,-1.2 1,-0.1 -2,-0.0 -0.974 39.1-119.6-142.6 152.9 -4.1 29.4 -7.2 47 62 A R T 3 S+ 0 0 234 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.833 114.5 32.3 -67.3 -26.6 -5.9 26.4 -8.6 48 63 A N T 3 S+ 0 0 36 2,-0.0 -27,-1.5 -3,-0.0 -1,-0.3 -0.296 87.6 171.5-121.7 44.2 -3.8 26.3 -11.7 49 64 A I E < -L 20 0C 3 -3,-1.2 2,-0.3 -29,-0.2 -29,-0.3 -0.195 13.7-166.6 -62.6 144.0 -0.5 27.6 -10.4 50 65 A R E -L 19 0C 77 -31,-2.4 -31,-2.4 19,-0.1 2,-0.5 -0.974 6.2-151.7-128.6 144.6 2.7 27.6 -12.5 51 66 A I E -LO 18 68C 0 17,-2.7 17,-2.4 -2,-0.3 2,-0.5 -0.976 2.9-160.1-125.9 125.6 6.2 28.2 -11.2 52 67 A K E -LO 17 67C 27 -35,-2.4 -35,-2.3 -2,-0.5 2,-0.3 -0.897 13.8-172.5-104.1 125.2 9.2 29.6 -13.1 53 68 A L E + O 0 66C 2 13,-3.0 13,-2.7 -2,-0.5 -37,-0.1 -0.858 64.9 24.4-114.5 151.1 12.6 28.9 -11.7 54 69 A G S S+ 0 0 4 -39,-0.5 2,-0.3 49,-0.4 8,-0.3 0.750 91.1 140.8 70.1 23.6 16.0 30.3 -12.8 55 70 A M + 0 0 8 -40,-0.5 -1,-0.2 -3,-0.3 3,-0.1 -0.742 24.9 157.1-105.9 149.5 14.3 33.3 -14.2 56 71 A H S S+ 0 0 6 1,-0.6 2,-0.2 4,-0.4 -1,-0.1 0.350 72.7 38.3-122.5 -89.8 15.2 37.0 -14.3 57 72 A S S S- 0 0 11 3,-0.3 -1,-0.6 79,-0.2 79,-0.2 -0.443 73.4-139.1 -68.3 134.7 13.5 38.8 -17.2 58 73 A K S S+ 0 0 59 77,-2.9 -1,-0.1 1,-0.2 78,-0.1 0.700 103.2 32.8 -61.6 -25.3 9.9 37.6 -17.8 59 74 A N S S+ 0 0 112 1,-0.2 2,-0.8 76,-0.2 -1,-0.2 0.721 108.5 64.7-106.1 -31.3 10.5 37.8 -21.5 60 75 A I S S- 0 0 125 0, 0.0 -4,-0.4 0, 0.0 -3,-0.3 -0.873 79.4-143.1-100.3 108.1 14.2 36.9 -22.0 61 76 A R - 0 0 153 -2,-0.8 2,-0.2 -3,-0.1 -6,-0.1 -0.442 5.3-132.5 -74.7 139.4 14.8 33.2 -20.9 62 77 A N > - 0 0 21 -8,-0.3 3,-1.7 -2,-0.2 -1,-0.1 -0.581 29.2-111.9 -82.4 154.1 17.9 32.1 -19.1 63 78 A E T 3 S+ 0 0 172 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.840 117.8 40.3 -56.4 -35.6 19.5 28.9 -20.5 64 79 A D T 3 S+ 0 0 12 -10,-0.2 -1,-0.3 2,-0.1 -9,-0.1 0.230 82.7 138.4-100.5 15.1 18.6 27.0 -17.4 65 80 A E < - 0 0 6 -3,-1.7 2,-0.3 -11,-0.2 -11,-0.2 -0.337 33.6-165.3 -62.0 137.4 15.1 28.5 -16.8 66 81 A Q E -O 53 0C 62 -13,-2.7 -13,-3.0 -2,-0.0 2,-0.4 -0.934 17.6-149.0-130.7 151.8 12.5 25.9 -15.7 67 82 A I E +O 52 0C 83 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.948 23.6 172.9-116.9 135.8 8.8 25.6 -15.4 68 83 A R E -O 51 0C 16 -17,-2.4 -17,-2.7 -2,-0.4 26,-0.0 -0.957 19.0-155.1-139.4 160.4 7.2 23.4 -12.8 69 84 A V - 0 0 25 -2,-0.3 26,-2.8 -19,-0.2 27,-0.3 -0.876 37.5 -91.1-127.2 160.7 3.7 22.6 -11.4 70 85 A P E -P 94 0C 28 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.352 24.1-174.2 -73.9 153.1 2.9 21.3 -8.0 71 86 A R E S+ 0 0 140 22,-3.0 2,-0.3 1,-0.4 23,-0.2 0.344 82.9 4.6-116.6 -5.9 2.6 17.7 -7.0 72 87 A G E -P 93 0C 13 21,-1.1 21,-2.7 2,-0.0 -1,-0.4 -0.938 59.5-152.9-173.3 148.8 1.4 18.8 -3.5 73 88 A K E -P 92 0C 65 -2,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.997 14.2-163.9-132.1 135.6 0.6 21.9 -1.5 74 89 A Y E +P 91 0C 56 17,-2.8 17,-2.3 -2,-0.4 2,-0.2 -0.973 9.1 175.2-129.5 131.0 0.9 22.2 2.3 75 90 A F - 0 0 80 -2,-0.4 2,-0.1 15,-0.2 15,-0.1 -0.753 43.8 -77.1-123.2 168.6 -0.6 24.7 4.7 76 91 A c - 0 0 16 13,-0.5 3,-0.1 11,-0.4 155,-0.1 -0.456 32.6-152.1 -67.0 136.9 -0.7 25.1 8.5 77 92 A L S S+ 0 0 109 153,-0.2 2,-0.6 1,-0.2 -1,-0.1 0.903 82.4 49.6 -75.6 -44.5 -3.1 22.8 10.1 78 93 A N S S+ 0 0 52 154,-0.1 2,-0.3 155,-0.0 -1,-0.2 -0.873 70.0 152.5-104.4 110.3 -3.8 25.0 13.1 79 94 A T - 0 0 48 -2,-0.6 6,-0.1 1,-0.1 5,-0.0 -0.965 44.8-136.9-136.7 154.0 -4.7 28.7 12.5 80 95 A K S S+ 0 0 151 -2,-0.3 -1,-0.1 154,-0.1 5,-0.0 0.909 91.1 61.5 -72.7 -43.2 -6.7 31.4 14.2 81 95AA F S > S- 0 0 55 1,-0.1 3,-1.9 2,-0.0 5,-0.2 -0.615 84.2-129.4 -86.2 142.7 -8.4 32.7 11.0 82 96 A P T 3 S+ 0 0 143 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.893 112.1 49.5 -58.8 -35.4 -10.6 30.4 9.0 83 97 A N T 3 S- 0 0 97 1,-0.1 -3,-0.0 -3,-0.0 -2,-0.0 0.441 108.7-127.9 -82.7 2.0 -8.7 31.3 5.8 84 98 A G X + 0 0 11 -3,-1.9 3,-1.9 1,-0.1 5,-0.2 0.500 68.4 131.7 67.6 8.3 -5.4 30.6 7.6 85 99 A L G > + 0 0 29 1,-0.3 3,-0.5 3,-0.1 -1,-0.1 0.437 56.7 74.4 -76.4 4.1 -3.9 34.0 6.7 86 100 A D G 3 S+ 0 0 29 1,-0.3 2,-0.3 -5,-0.2 76,-0.3 0.648 107.6 37.9 -82.0 -17.3 -2.8 34.7 10.3 87 101 A K G < S- 0 0 11 -3,-1.9 2,-1.8 -6,-0.1 -11,-0.4 -0.708 86.3-174.1-129.6 75.8 -0.1 32.1 9.3 88 102 A D < + 0 0 4 -3,-0.5 2,-0.3 -2,-0.3 123,-0.2 -0.546 39.0 109.1 -80.7 84.8 0.5 33.1 5.7 89 103 A I + 0 0 0 -2,-1.8 -13,-0.5 -48,-0.2 2,-0.3 -0.990 36.3 175.6-156.1 144.7 2.8 30.4 4.6 90 104 A M E -N 40 0C 0 -50,-2.2 -50,-2.5 -2,-0.3 2,-0.4 -0.986 19.9-140.4-154.6 149.3 2.6 27.4 2.2 91 105 A L E -NP 39 74C 0 -17,-2.3 -17,-2.8 -2,-0.3 2,-0.5 -0.921 13.2-161.0-111.5 136.7 5.0 24.7 0.9 92 106 A I E -NP 38 73C 0 -54,-2.8 -54,-2.8 -2,-0.4 2,-0.5 -0.982 7.5-150.5-118.1 124.6 4.7 23.6 -2.7 93 107 A R E -NP 37 72C 55 -21,-2.7 -22,-3.0 -2,-0.5 -21,-1.1 -0.846 25.2-125.0 -94.0 127.9 6.3 20.2 -3.7 94 108 A L E - 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