==== 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/HYDROLASE INHIBITOR 05-JUN-11 3SBK . COMPND 2 MOLECULE: VIPERA RUSSELLI PROTEINASE RVV-V GAMMA; . SOURCE 2 ORGANISM_SCIENTIFIC: DABOIA RUSSELLII SIAMENSIS; . AUTHOR D.NAKAYAMA,Y.BEN AMMAR,S.TAKEDA . 235 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10580.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 61.7 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 30.6 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 0.9 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 . 3 1.3 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 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.3 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 . 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 2 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 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 2,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 151.0 -8.6 -33.3 0.1 2 17 A V B +A 174 0A 16 172,-2.4 172,-1.3 1,-0.2 127,-0.1 -0.920 360.0 24.2-126.1 142.4 -9.8 -36.8 0.9 3 18 A G S S+ 0 0 53 125,-0.5 2,-0.3 -2,-0.4 -1,-0.2 0.832 102.7 88.3 70.8 33.2 -10.8 -38.3 4.3 4 19 A G - 0 0 18 -3,-0.2 -1,-0.3 124,-0.1 2,-0.2 -0.891 63.6-122.7-144.3-174.1 -11.6 -35.0 6.0 5 20 A D E -B 139 0B 129 134,-1.1 134,-2.3 -2,-0.3 -3,-0.0 -0.696 47.3 -51.7-121.9 171.6 -14.4 -32.6 6.6 6 21 A E E -B 138 0B 111 132,-0.2 132,-0.3 -2,-0.2 2,-0.2 -0.073 61.5-115.4 -35.0 131.7 -15.4 -29.0 6.2 7 22 A a - 0 0 4 130,-2.5 -1,-0.1 1,-0.1 2,-0.1 -0.561 34.7 -96.5 -74.2 144.4 -12.8 -26.6 7.6 8 23 A N > - 0 0 89 -2,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.420 38.6-118.4 -54.9 138.4 -13.7 -24.4 10.5 9 24 A I T 3 S+ 0 0 71 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.621 109.5 39.7 -62.5 -16.3 -14.7 -21.1 9.0 10 25 A N T 3 S+ 0 0 82 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.399 94.1 83.0-110.6 0.4 -12.0 -19.1 10.8 11 26 A E S < S+ 0 0 52 -3,-1.8 -2,-0.1 1,-0.2 3,-0.1 0.584 90.3 46.6 -85.5 -3.0 -9.2 -21.6 10.5 12 27 A H > + 0 0 7 -4,-0.3 3,-1.4 -3,-0.2 -1,-0.2 -0.278 55.2 140.3-135.4 46.8 -8.0 -20.7 7.0 13 28 A P T 3 S+ 0 0 22 0, 0.0 92,-1.4 0, 0.0 41,-0.3 0.720 79.8 52.4 -71.0 -18.4 -7.7 -16.9 6.6 14 29 A F T 3 S+ 0 0 27 90,-0.2 18,-2.2 -3,-0.1 2,-0.4 0.543 83.7 110.3 -86.9 -12.0 -4.5 -17.3 4.6 15 30 A L E < -I 31 0C 1 -3,-1.4 39,-0.6 16,-0.2 40,-0.5 -0.542 46.8-176.7 -65.3 118.3 -6.1 -19.8 2.2 16 31 A V E -IJ 30 53C 1 14,-2.0 14,-1.0 -2,-0.4 2,-0.4 -0.887 17.1-136.2-112.2 151.5 -6.6 -18.2 -1.3 17 32 A A E -IJ 29 52C 0 35,-2.7 35,-2.9 -2,-0.3 2,-0.5 -0.910 11.6-152.1-109.7 138.1 -8.3 -19.8 -4.3 18 33 A L E +IJ 28 51C 0 10,-3.1 9,-2.2 -2,-0.4 10,-1.1 -0.929 26.8 148.8-112.6 130.3 -6.9 -19.7 -7.8 19 34 A Y E - J 0 50C 17 31,-2.2 31,-3.1 -2,-0.5 2,-0.3 -0.818 41.8 -99.6-145.1 178.2 -9.0 -19.9 -10.9 20 35 A T E > -IJ 23 49C 27 3,-0.7 3,-1.4 5,-0.4 29,-0.2 -0.816 25.6-114.3-115.5 150.7 -8.7 -18.5 -14.4 21 36 A S T 3 S+ 0 0 52 27,-1.8 28,-0.1 -2,-0.3 -1,-0.1 0.681 119.7 43.7 -51.7 -18.1 -10.3 -15.4 -16.1 22 36AA A T 3 S+ 0 0 97 1,-0.1 2,-0.3 26,-0.1 -1,-0.3 0.653 115.3 43.4 -99.7 -26.4 -12.1 -17.9 -18.3 23 37 A S E < -I 20 0C 60 -3,-1.4 -3,-0.7 2,-0.1 -1,-0.1 -0.931 57.1-152.3-131.9 148.3 -13.2 -20.6 -15.9 24 38 A S E + 0 0 90 -2,-0.3 2,-0.2 -5,-0.1 -1,-0.1 0.530 63.3 111.3 -99.7 -6.9 -14.8 -20.5 -12.4 25 39 A T E S- 0 0 65 1,-0.1 2,-0.6 -5,-0.1 -5,-0.4 -0.486 74.2-119.9 -71.2 131.4 -13.4 -23.9 -11.3 26 40 A I E + 0 0 8 -2,-0.2 -7,-0.2 99,-0.2 3,-0.1 -0.638 33.4 176.4 -70.8 114.6 -10.7 -23.7 -8.6 27 41 A H E - 0 0 30 -9,-2.2 151,-0.3 -2,-0.6 2,-0.3 0.623 64.4 -9.4 -97.2 -9.9 -7.6 -25.3 -10.1 28 42 A b E -I 18 0C 0 -10,-1.1 -10,-3.1 151,-0.1 -1,-0.3 -0.941 60.6-135.3-171.5 161.4 -5.2 -24.6 -7.1 29 43 A A E -I 17 0C 0 151,-2.5 12,-0.4 -2,-0.3 2,-0.3 -0.351 19.2-170.9-110.5-161.9 -5.0 -22.8 -3.8 30 44 A G E -I 16 0C 0 -14,-1.0 -14,-2.0 -2,-0.1 2,-0.4 -0.948 22.9-103.6-175.9 178.7 -2.2 -20.6 -2.3 31 45 A A E -IK 15 39C 0 8,-2.4 8,-2.4 -2,-0.3 2,-0.3 -0.982 25.1-126.5-127.3 129.8 -1.2 -18.9 0.9 32 46 A L E + K 0 38C 0 -18,-2.2 75,-2.5 -2,-0.4 6,-0.2 -0.607 26.5 179.7 -73.7 133.0 -1.4 -15.2 1.7 33 47 A I E - 0 0 17 4,-3.5 2,-0.3 1,-0.5 5,-0.2 0.754 61.6 -28.0-109.4 -33.5 2.0 -14.0 2.9 34 48 A N E > S- K 0 37C 47 3,-0.9 3,-1.4 71,-0.1 -1,-0.5 -0.875 92.0 -59.9-166.3-174.8 1.5 -10.3 3.5 35 49 A R T 3 S+ 0 0 126 1,-0.3 63,-2.1 -2,-0.3 3,-0.0 0.628 133.5 22.5 -53.2 -19.6 -0.9 -7.6 2.1 36 50 A E T 3 S+ 0 0 39 61,-0.2 58,-2.4 1,-0.1 2,-0.4 0.276 107.3 78.4-133.2 7.1 0.5 -8.1 -1.5 37 51 A W E < -KL 34 93C 10 -3,-1.4 -4,-3.5 56,-0.2 -3,-0.9 -0.983 44.4-172.7-137.6 131.2 2.1 -11.5 -1.8 38 52 A V E -KL 32 92C 0 54,-2.1 54,-2.9 -2,-0.4 2,-0.3 -0.959 13.2-149.7-119.8 136.0 0.8 -15.1 -2.3 39 53 A L E +KL 31 91C 0 -8,-2.4 -8,-2.4 -2,-0.4 2,-0.3 -0.843 35.3 138.9 -97.8 140.4 2.9 -18.2 -2.2 40 54 A T E - L 0 90C 0 50,-2.2 50,-2.1 -2,-0.3 2,-0.4 -0.907 52.1 -61.7-165.5-176.0 1.7 -21.2 -4.4 41 55 A A > - 0 0 0 -12,-0.4 3,-2.2 -2,-0.3 4,-0.3 -0.708 34.6-133.7 -88.3 135.0 2.9 -24.0 -6.7 42 56 A A G > S+ 0 0 19 -2,-0.4 3,-2.8 1,-0.3 -1,-0.1 0.933 105.9 59.6 -48.7 -47.0 4.6 -23.2 -10.0 43 57 A H G 3 S+ 0 0 39 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.667 91.7 70.2 -63.1 -6.1 2.5 -25.7 -11.9 44 58 A b G < S+ 0 0 0 -3,-2.2 -1,-0.3 -15,-0.1 -2,-0.2 0.553 75.5 118.7 -79.3 -8.9 -0.6 -23.7 -10.8 45 59 A D < + 0 0 54 -3,-2.8 2,-0.3 -4,-0.3 3,-0.0 -0.220 36.3 163.2 -60.6 146.3 0.6 -20.9 -13.1 46 60 A R > - 0 0 102 1,-0.1 3,-0.6 -27,-0.1 -2,-0.0 -0.921 48.1 -98.1-151.5-178.0 -1.7 -19.9 -16.0 47 62 A R T 3 S+ 0 0 224 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.902 113.6 20.3 -79.6 -43.7 -2.2 -17.0 -18.4 48 63 A N T 3 S- 0 0 85 -3,-0.0 -27,-1.8 2,-0.0 -1,-0.2 -0.342 80.8-176.4-124.3 56.4 -4.9 -15.1 -16.7 49 64 A I E < -J 20 0C 2 -3,-0.6 2,-0.4 -29,-0.2 -29,-0.2 -0.122 6.0-165.5 -47.5 135.7 -4.9 -16.2 -13.0 50 65 A R E -J 19 0C 98 -31,-3.1 -31,-2.2 19,-0.1 2,-0.4 -0.960 6.2-152.5-120.3 147.3 -7.6 -14.7 -10.7 51 66 A I E -JM 18 68C 0 17,-2.6 17,-2.4 -2,-0.4 2,-0.5 -0.978 4.9-162.1-125.8 123.3 -7.2 -15.0 -7.0 52 67 A K E -JM 17 67C 42 -35,-2.9 -35,-2.7 -2,-0.4 2,-0.3 -0.898 14.3-173.1-106.4 124.1 -10.1 -15.1 -4.5 53 68 A L E +JM 16 66C 2 13,-2.7 13,-2.1 -2,-0.5 -37,-0.2 -0.823 62.2 28.2-117.0 155.9 -9.3 -14.4 -0.9 54 69 A G S S+ 0 0 3 -39,-0.6 2,-0.3 49,-0.4 8,-0.2 0.806 87.7 138.0 65.4 30.8 -11.4 -14.6 2.3 55 70 A M + 0 0 3 -40,-0.5 -1,-0.3 -3,-0.3 3,-0.1 -0.770 19.9 153.6-102.5 151.6 -13.5 -17.3 0.7 56 71 A H + 0 0 9 1,-0.6 2,-0.4 -2,-0.3 -1,-0.1 0.371 69.7 41.8-132.0 -66.0 -14.8 -20.4 2.4 57 72 A S - 0 0 13 3,-0.5 -1,-0.6 79,-0.2 79,-0.3 -0.702 65.7-148.1 -87.0 134.8 -18.0 -21.5 0.6 58 73 A K S S+ 0 0 64 77,-3.8 -1,-0.1 -2,-0.4 78,-0.1 0.767 101.3 38.1 -63.7 -29.5 -18.1 -21.3 -3.2 59 74 A N S S+ 0 0 115 76,-0.3 2,-0.8 1,-0.2 -1,-0.1 0.835 108.8 56.6 -98.5 -39.5 -21.8 -20.5 -2.9 60 75 A I S S- 0 0 126 0, 0.0 -3,-0.5 0, 0.0 -4,-0.3 -0.853 80.9-141.3 -99.5 100.6 -22.2 -18.2 0.2 61 76 A R - 0 0 164 -2,-0.8 2,-0.2 -3,-0.1 -6,-0.1 -0.238 13.3-129.6 -53.8 142.1 -20.1 -15.1 -0.2 62 77 A N > - 0 0 23 -8,-0.2 3,-1.1 -5,-0.1 -1,-0.1 -0.560 19.6-112.3 -90.8 160.0 -18.3 -13.6 2.9 63 78 A E T 3 S+ 0 0 200 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.969 116.2 34.7 -47.1 -59.4 -18.3 -10.0 4.1 64 79 A D T 3 S+ 0 0 31 -10,-0.1 -1,-0.2 2,-0.0 -9,-0.1 0.034 80.5 142.8 -98.8 22.8 -14.6 -9.5 3.3 65 80 A E < - 0 0 11 -3,-1.1 2,-0.3 -11,-0.1 -11,-0.2 -0.334 28.7-167.6 -59.4 143.0 -14.1 -11.6 0.1 66 81 A Q E -M 53 0C 65 -13,-2.1 -13,-2.7 2,-0.0 2,-0.5 -0.999 18.1-149.8-138.6 140.1 -11.7 -10.1 -2.5 67 82 A I E +M 52 0C 81 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.916 26.9 172.0-105.8 132.6 -10.8 -10.8 -6.1 68 83 A R E -M 51 0C 18 -17,-2.4 -17,-2.6 -2,-0.5 26,-0.0 -0.909 19.1-149.8-133.1 164.4 -7.3 -10.0 -7.2 69 84 A V - 0 0 37 -2,-0.3 26,-2.5 -19,-0.2 -19,-0.1 -0.925 30.2 -96.6-129.2 159.6 -5.0 -10.4 -10.2 70 85 A P E +N 94 0C 34 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.421 28.2 176.4 -73.8 147.4 -1.3 -10.8 -10.6 71 86 A R E S+ 0 0 140 22,-3.4 2,-0.3 1,-0.5 23,-0.2 0.457 79.1 15.7-111.5 -19.0 1.2 -8.0 -11.4 72 87 A G E -N 93 0C 9 21,-1.0 21,-2.3 2,-0.0 -1,-0.5 -0.977 62.2-164.3-147.0 148.0 4.3 -10.1 -11.1 73 88 A K E -N 92 0C 66 -2,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.989 12.9-162.2-134.3 138.4 4.9 -13.9 -11.0 74 89 A Y E +N 91 0C 48 17,-1.8 17,-1.7 -2,-0.3 2,-0.2 -0.984 9.1 178.5-137.8 132.2 8.3 -15.3 -9.8 75 90 A F - 0 0 70 -2,-0.4 2,-0.4 15,-0.2 15,-0.1 -0.630 36.0-102.2-124.8 166.1 9.9 -18.7 -10.3 76 91 A c - 0 0 14 13,-0.5 3,-0.1 11,-0.3 11,-0.1 -0.841 31.2-177.3 -86.4 139.9 13.0 -20.7 -9.5 77 92 A L + 0 0 159 -2,-0.4 2,-0.7 1,-0.1 -1,-0.1 0.507 69.7 71.5-116.9 -17.9 15.1 -20.8 -12.6 78 93 A N S S+ 0 0 59 6,-0.0 2,-0.3 155,-0.0 -1,-0.1 -0.441 71.6 148.0 -96.9 58.0 17.9 -23.0 -11.3 79 94 A T - 0 0 34 -2,-0.7 6,-0.1 -3,-0.1 5,-0.1 -0.699 56.8-127.6-100.8 146.2 15.8 -26.2 -11.3 80 95 A K S S+ 0 0 150 -2,-0.3 -1,-0.1 76,-0.1 3,-0.0 0.681 95.9 45.2 -63.6 -16.4 17.0 -29.7 -11.9 81 95AA F S > S- 0 0 44 1,-0.1 3,-2.2 75,-0.1 5,-0.2 -0.975 83.4-124.5-130.7 144.9 14.4 -30.3 -14.6 82 96 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.826 110.7 56.8 -59.8 -27.4 13.3 -28.1 -17.4 83 97 A N T 3 S- 0 0 84 1,-0.1 -3,-0.0 -3,-0.0 0, 0.0 0.641 103.5-130.9 -82.6 -6.5 9.7 -28.2 -16.3 84 98 A G X + 0 0 13 -3,-2.2 3,-1.6 1,-0.1 5,-0.2 0.558 67.5 128.9 80.9 8.5 10.6 -26.9 -12.8 85 99 A L G > + 0 0 21 1,-0.3 3,-0.7 3,-0.1 -1,-0.1 0.721 60.5 68.9 -73.2 -19.4 8.6 -29.5 -11.0 86 100 A D G 3 S+ 0 0 12 1,-0.3 -1,-0.3 -5,-0.2 76,-0.3 0.604 113.1 33.6 -69.1 -12.7 11.6 -30.5 -8.8 87 101 A K G < S- 0 0 12 -3,-1.6 2,-1.3 -6,-0.1 -11,-0.3 -0.551 79.8-178.4-142.8 72.9 11.0 -27.1 -7.3 88 102 A D < + 0 0 2 -3,-0.7 2,-0.3 -2,-0.1 123,-0.2 -0.648 36.8 110.4 -87.0 96.0 7.3 -26.4 -7.4 89 103 A I + 0 0 0 -2,-1.3 -13,-0.5 -5,-0.2 2,-0.3 -0.959 32.9 173.2-165.3 147.6 6.9 -23.0 -6.0 90 104 A M E -L 40 0C 0 -50,-2.1 -50,-2.2 -2,-0.3 2,-0.4 -0.988 20.3-140.7-159.9 148.1 6.0 -19.5 -7.2 91 105 A L E -LN 39 74C 0 -17,-1.7 -17,-1.8 -2,-0.3 2,-0.4 -0.954 14.9-159.5-115.8 136.6 5.3 -16.1 -5.7 92 106 A I E -LN 38 73C 0 -54,-2.9 -54,-2.1 -2,-0.4 2,-0.5 -0.950 7.8-148.1-115.0 136.1 2.5 -13.8 -7.0 93 107 A R E -LN 37 72C 64 -21,-2.3 -22,-3.4 -2,-0.4 -21,-1.0 -0.915 24.8-128.2-101.6 127.4 2.4 -10.1 -6.4 94 108 A L E - 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