==== 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/HYDROLASE INHIBITOR 20-AUG-98 1BQY . COMPND 2 MOLECULE: PLASMINOGEN ACTIVATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: VIRIDOVIPERA STEJNEGERI; . AUTHOR M.A.A.PARRY,W.BODE . 470 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 59.1 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 . 137 29.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 0.2 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 . 37 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 0 2 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 . 4 5 7 10 0 4 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 2 2 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,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 120.3 8.8 41.0 60.0 2 17 A F B 3 +A 174 0A 53 172,-2.7 172,-1.5 1,-0.2 125,-0.1 -0.721 360.0 17.7 -89.6 133.3 6.8 43.7 58.2 3 18 A G T 3 S+ 0 0 40 123,-0.4 -1,-0.2 -2,-0.3 2,-0.1 0.628 102.5 103.8 83.5 15.9 3.2 42.9 57.1 4 19 A G < - 0 0 29 -3,-0.6 2,-0.3 136,-0.1 136,-0.2 -0.242 59.3-125.7-111.2-158.8 2.7 39.9 59.3 5 20 A D E -B 139 0B 87 134,-1.9 134,-3.2 -2,-0.1 2,-0.2 -0.828 48.7 -64.5-141.0 173.3 0.9 38.8 62.4 6 21 A E E -B 138 0B 129 -2,-0.3 132,-0.3 132,-0.3 3,-0.1 -0.490 60.8-114.7 -66.0 131.3 1.9 37.1 65.7 7 22 A a - 0 0 5 130,-3.0 2,-0.2 -2,-0.2 -1,-0.1 -0.278 32.2-100.0 -65.1 154.1 3.1 33.6 64.9 8 23 A N > - 0 0 84 1,-0.1 3,-0.8 -3,-0.1 4,-0.3 -0.549 33.4-118.3 -72.5 143.7 1.1 30.8 66.3 9 24 A I T 3 S+ 0 0 60 1,-0.2 3,-0.2 -2,-0.2 -1,-0.1 0.716 111.3 38.1 -59.0 -20.2 2.8 29.5 69.5 10 25 A N T > S+ 0 0 78 1,-0.1 3,-0.7 2,-0.1 -1,-0.2 0.526 97.1 78.2-107.4 -10.6 3.3 26.0 67.9 11 26 A E T < S+ 0 0 66 -3,-0.8 -2,-0.1 1,-0.2 -1,-0.1 0.421 93.9 49.3 -81.5 3.5 4.1 27.0 64.3 12 27 A H T > + 0 0 10 -4,-0.3 3,-2.2 -3,-0.2 -1,-0.2 0.069 59.3 140.5-133.1 37.1 7.7 27.9 65.0 13 28 A R T < S+ 0 0 101 -3,-0.7 90,-2.2 1,-0.3 39,-0.1 0.475 76.1 49.7 -59.3 -4.1 9.2 25.0 67.1 14 29 A S T 3 S+ 0 0 14 88,-0.2 16,-1.7 -3,-0.1 2,-0.5 0.471 79.2 114.7-114.0 -2.3 12.6 25.3 65.2 15 30 A L E < -I 29 0C 5 -3,-2.2 38,-0.4 14,-0.2 37,-0.4 -0.558 48.8-162.9 -75.1 118.0 13.2 29.1 65.6 16 31 A V E -I 28 0C 1 12,-2.6 12,-1.2 -2,-0.5 2,-0.5 -0.660 10.0-140.1-102.7 152.7 16.3 29.8 67.7 17 32 A V E -IJ 27 50C 2 33,-2.0 33,-2.7 -2,-0.2 2,-0.5 -0.967 9.3-160.0-113.1 128.3 17.2 33.1 69.4 18 33 A L E +IJ 26 49C 0 8,-3.2 7,-2.8 -2,-0.5 8,-1.3 -0.953 28.1 152.3-106.8 131.5 20.9 34.2 69.5 19 34 A F E -IJ 24 48C 44 29,-2.1 29,-2.8 -2,-0.5 5,-0.2 -0.933 19.7-175.1-150.2 167.8 21.6 36.8 72.2 20 35 A N E > -I 23 0C 27 3,-2.3 3,-2.2 -2,-0.3 27,-0.1 -0.793 55.4 -64.0-149.3-167.7 24.4 38.1 74.4 21 36 A S T 3 S+ 0 0 131 1,-0.3 3,-0.1 -2,-0.2 26,-0.1 0.841 132.6 53.8 -55.4 -34.5 25.1 40.6 77.2 22 38 A N T 3 S- 0 0 156 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.359 117.7-112.6 -82.7 4.1 24.1 43.4 74.8 23 39 A G E < +I 20 0C 31 -3,-2.2 -3,-2.3 0, 0.0 -1,-0.3 -0.678 65.7 8.8 108.0-160.7 20.8 41.8 74.0 24 40 A F E +I 19 0C 46 -2,-0.2 -5,-0.3 -5,-0.2 3,-0.1 -0.344 50.2 168.3 -63.2 137.8 19.1 40.1 71.0 25 41 A L E - 0 0 35 -7,-2.8 2,-0.3 1,-0.4 -6,-0.2 0.758 51.4 -43.3-116.6 -56.6 21.2 39.4 67.9 26 42 A b E -I 18 0C 4 -8,-1.3 -8,-3.2 153,-0.1 -1,-0.4 -0.949 50.1 -96.4-164.0-178.5 19.5 37.2 65.4 27 43 A G E -I 17 0C 4 153,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.468 33.7-173.0-104.7 178.1 17.4 34.1 64.8 28 44 A G E -I 16 0C 0 -12,-1.2 -12,-2.6 -2,-0.2 2,-0.4 -0.953 20.4-116.2-161.4 175.1 18.6 30.6 63.9 29 45 A T E -IK 15 37C 0 8,-2.9 8,-2.9 -2,-0.3 2,-0.6 -0.990 13.1-144.3-130.9 127.9 17.3 27.2 62.8 30 46 A L E + K 0 36C 2 -16,-1.7 75,-2.4 -2,-0.4 6,-0.2 -0.840 22.7 172.6 -89.0 119.0 17.7 23.9 64.7 31 47 A I - 0 0 18 4,-1.7 2,-0.3 -2,-0.6 76,-0.2 0.584 66.5 -5.6-102.8 -19.6 18.2 21.1 62.1 32 48 A N S S- 0 0 48 3,-0.9 3,-0.5 74,-0.1 -1,-0.2 -0.897 92.3 -77.5-157.5-179.1 19.0 18.2 64.4 33 49 A Q S S+ 0 0 101 -2,-0.3 63,-2.4 1,-0.2 61,-0.1 0.542 125.8 32.2 -71.9 -1.1 19.6 17.8 68.2 34 50 A D S S+ 0 0 40 61,-0.2 58,-2.6 1,-0.1 2,-0.4 0.462 106.7 67.8-130.5 -4.3 23.1 19.2 68.1 35 51 A W E - L 0 91C 23 -3,-0.5 -4,-1.7 56,-0.2 -3,-0.9 -0.962 47.7-166.8-131.7 146.0 23.3 21.8 65.3 36 52 A V E -KL 30 90C 0 54,-2.4 54,-3.1 -2,-0.4 2,-0.4 -0.978 9.0-154.9-129.3 133.8 22.0 25.3 64.5 37 53 A V E +KL 29 89C 1 -8,-2.9 -8,-2.9 -2,-0.4 2,-0.3 -0.893 30.3 140.9-106.7 138.0 22.1 27.1 61.2 38 54 A T E - L 0 88C 0 50,-1.9 50,-1.9 -2,-0.4 2,-0.3 -0.831 52.7 -62.1-156.0-170.8 22.1 30.9 61.1 39 55 A A > - 0 0 0 -12,-0.4 3,-1.6 -2,-0.3 48,-0.2 -0.660 32.7-133.2 -90.6 144.7 23.7 33.8 59.1 40 56 A A G > S+ 0 0 4 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.850 105.1 62.2 -63.9 -32.6 27.4 34.4 59.1 41 57 A H G 3 S+ 0 0 35 1,-0.3 -1,-0.3 41,-0.1 42,-0.1 0.577 91.8 68.2 -71.4 -5.9 26.8 38.1 59.7 42 58 A b G < S+ 0 0 6 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.358 73.3 124.6 -90.0 -1.7 25.2 37.3 63.1 43 59 A D < + 0 0 66 -3,-1.5 2,-0.3 -4,-0.1 3,-0.1 -0.276 34.2 175.1 -61.5 149.8 28.4 36.1 64.6 44 60 A S - 0 0 31 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.959 43.9-106.0-151.7 155.6 29.6 37.7 67.8 45 62 A N S S+ 0 0 147 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.925 105.7 6.0 -48.3 -56.7 32.5 37.0 70.2 46 63 A N S S+ 0 0 131 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.971 77.9 141.0-132.9 145.3 30.3 35.5 72.7 47 64 A F - 0 0 10 -2,-0.4 2,-0.3 -27,-0.1 -27,-0.2 -0.956 31.4-133.9-169.4 167.5 26.6 34.6 72.6 48 65 A Q E -J 19 0C 76 -29,-2.8 -29,-2.1 -2,-0.3 2,-0.4 -0.916 16.4-126.5-130.8 164.2 24.1 32.0 73.7 49 66 A L E -JM 18 66C 0 17,-2.6 17,-2.0 -2,-0.3 2,-0.5 -0.937 16.3-158.9-118.3 132.3 21.2 30.3 72.0 50 67 A L E -JM 17 65C 31 -33,-2.7 -33,-2.0 -2,-0.4 2,-0.3 -0.954 8.4-165.5-114.5 128.4 17.7 30.1 73.4 51 68 A F E + M 0 64C 3 13,-2.9 13,-1.5 -2,-0.5 -35,-0.1 -0.789 63.5 25.9-112.1 153.0 15.2 27.5 72.3 52 69 A G S S+ 0 0 7 -37,-0.4 2,-0.3 49,-0.3 10,-0.2 0.676 78.8 156.7 71.1 27.0 11.4 27.2 72.7 53 70 A V + 0 0 6 -38,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.632 12.8 144.9 -92.1 133.3 10.8 31.0 72.9 54 71 A H S S+ 0 0 22 1,-0.7 2,-0.2 -2,-0.3 -1,-0.1 0.450 70.0 24.5-122.0 -82.6 7.5 32.7 72.2 55 72 A S - 0 0 13 3,-0.6 -1,-0.7 81,-0.1 5,-0.2 -0.579 59.8-153.2 -86.7 149.8 6.8 35.7 74.4 56 73 A K S S+ 0 0 82 79,-0.8 3,-0.2 -2,-0.2 -1,-0.1 0.689 97.3 42.2 -89.5 -24.9 9.8 37.5 76.0 57 74 A K S S+ 0 0 164 1,-0.3 2,-0.8 78,-0.1 -1,-0.1 0.863 117.7 42.7 -87.6 -45.7 7.6 38.7 78.9 58 75 A I S S- 0 0 131 0, 0.0 -3,-0.6 0, 0.0 -1,-0.3 -0.861 90.0-147.3-107.5 96.4 5.6 35.5 79.6 59 76 A L - 0 0 111 -2,-0.8 2,-0.3 -3,-0.2 -3,-0.1 -0.169 9.3-118.4 -67.2 153.8 8.0 32.6 79.4 60 77 A N > - 0 0 27 -5,-0.2 3,-1.1 -8,-0.2 -1,-0.1 -0.686 19.5-130.1 -88.3 142.0 7.4 29.0 78.2 61 78 A E T 3 S+ 0 0 206 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.437 102.6 52.9 -73.8 4.2 7.9 26.3 80.8 62 79 A D T 3 S+ 0 0 31 -10,-0.2 -1,-0.2 2,-0.0 39,-0.1 0.187 71.7 136.1-126.7 20.1 10.1 24.4 78.4 63 80 A E < - 0 0 42 -3,-1.1 2,-0.3 -11,-0.1 -11,-0.2 -0.313 34.2-158.9 -68.1 151.3 12.8 26.8 77.1 64 81 A Q E -M 51 0C 77 -13,-1.5 -13,-2.9 2,-0.0 2,-0.4 -0.953 4.3-156.2-132.1 152.2 16.4 25.6 76.8 65 82 A T E +M 50 0C 64 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.962 16.1 167.1-132.0 142.2 19.7 27.4 76.7 66 83 A R E -M 49 0C 39 -17,-2.0 -17,-2.6 -2,-0.4 26,-0.0 -0.952 28.2-125.2-148.6 163.2 23.0 26.3 75.3 67 84 A D - 0 0 69 -2,-0.3 26,-1.7 -19,-0.2 2,-0.6 -0.868 35.8-102.8-112.4 147.2 26.3 27.9 74.4 68 85 A P E -N 92 0C 32 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.606 34.9-178.7 -71.1 115.3 27.9 27.6 70.9 69 86 A K E S+ 0 0 131 22,-2.3 2,-0.3 -2,-0.6 23,-0.2 0.851 71.1 11.9 -80.2 -38.1 30.7 25.0 71.3 70 87 A E E -N 91 0C 70 21,-1.7 21,-2.7 2,-0.0 2,-0.4 -0.999 62.4-162.8-142.4 145.2 31.8 25.4 67.6 71 88 A K E -N 90 0C 69 -2,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.989 8.7-166.6-130.4 133.5 31.1 27.8 64.8 72 89 A F E +N 89 0C 26 17,-2.2 17,-2.0 -2,-0.4 2,-0.3 -0.979 7.6 176.6-127.2 135.7 31.8 27.2 61.1 73 90 A F - 0 0 62 -2,-0.4 15,-0.1 15,-0.2 13,-0.1 -0.791 47.3 -78.8-124.9 166.7 31.9 29.6 58.1 74 91 A c > - 0 0 6 13,-0.4 3,-1.2 11,-0.4 157,-0.1 -0.489 34.0-141.3 -69.3 135.0 32.7 29.0 54.5 75 92 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 156,-0.1 0.821 101.3 51.3 -65.2 -29.1 36.5 28.8 54.1 76 93 A N T 3 S+ 0 0 55 2,-0.1 2,-0.2 157,-0.0 -2,-0.1 0.099 80.9 133.9 -96.7 21.5 36.2 30.8 50.8 77 94 A R < - 0 0 67 -3,-1.2 2,-0.4 1,-0.1 8,-0.1 -0.493 63.1-105.9 -79.1 137.6 34.1 33.6 52.1 78 95 A K - 0 0 99 -2,-0.2 6,-0.3 3,-0.1 -1,-0.1 -0.483 22.0-144.1 -66.0 123.1 34.9 37.3 51.2 79 95AA K S S+ 0 0 212 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.856 93.6 36.2 -52.4 -50.1 36.5 39.1 54.1 80 96 A D S S+ 0 0 138 1,-0.1 2,-1.3 3,-0.0 -1,-0.2 0.828 98.0 79.2 -78.9 -37.1 35.0 42.6 53.4 81 97 A D > - 0 0 25 1,-0.2 3,-2.3 2,-0.1 -3,-0.1 -0.639 63.5-164.3 -81.2 96.2 31.5 41.7 52.1 82 98 A E T 3 S+ 0 0 102 -2,-1.3 -1,-0.2 1,-0.3 -41,-0.1 0.709 86.7 45.8 -50.2 -30.5 29.6 40.9 55.3 83 99 A V T > S+ 0 0 9 388,-0.1 3,-0.7 -43,-0.1 2,-0.5 0.109 79.2 122.6-104.6 19.3 26.8 39.1 53.5 84 100 A D T < S- 0 0 25 -3,-2.3 3,-0.2 -6,-0.3 -7,-0.0 -0.740 93.4 -7.6 -82.0 128.2 28.9 37.0 51.1 85 101 A K T 3 S- 0 0 23 -2,-0.5 2,-2.2 1,-0.2 -11,-0.4 0.929 85.2-157.4 49.6 57.1 28.0 33.4 51.7 86 102 A D < + 0 0 1 -3,-0.7 2,-0.3 -47,-0.1 125,-0.2 -0.370 46.6 112.2 -68.4 77.2 25.8 34.2 54.7 87 103 A I + 0 0 0 -2,-2.2 -13,-0.4 -3,-0.2 2,-0.3 -0.996 35.3 176.5-152.2 138.6 25.8 30.9 56.5 88 104 A M E -L 38 0C 0 -50,-1.9 -50,-1.9 -2,-0.3 2,-0.5 -0.977 17.5-147.8-146.6 130.5 27.2 29.7 59.8 89 105 A L E -LN 37 72C 0 -17,-2.0 -17,-2.2 -2,-0.3 2,-0.5 -0.902 12.5-160.0-100.6 131.2 26.9 26.2 61.5 90 106 A I E -LN 36 71C 0 -54,-3.1 -54,-2.4 -2,-0.5 2,-0.6 -0.959 5.4-153.9-117.5 116.8 26.8 26.2 65.3 91 107 A K E -LN 35 70C 46 -21,-2.7 -22,-2.3 -2,-0.5 -21,-1.7 -0.808 26.0-129.1 -87.9 115.6 27.7 23.0 67.1 92 108 A L E - 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