==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 22-AUG-12 3VWC . COMPND 2 MOLECULE: SERINE PROTEASE INHIBITOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: COPRINOPSIS CINEREA; . AUTHOR M.RENKO,J.SABOTIC,D.TURK . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 56.8 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 . 55 37.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 0 0.0 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 . 13 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 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 . 6 4 2 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 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 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 2 A S 0 0 95 0, 0.0 87,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 160.5 21.9 37.1 21.7 2 3 A I - 0 0 7 85,-0.1 84,-0.1 86,-0.0 3,-0.0 -0.953 360.0-101.7-152.2 145.0 21.7 33.3 22.0 3 4 A K - 0 0 128 -2,-0.3 45,-0.1 1,-0.1 2,-0.0 -0.543 44.5-113.7 -70.1 126.9 21.1 31.1 25.1 4 5 A P S S+ 0 0 66 0, 0.0 2,-0.3 0, 0.0 45,-0.2 -0.354 70.5 88.2 -57.2 145.3 24.4 29.7 26.3 5 6 A G E S-A 48 0A 23 43,-1.5 43,-3.1 -3,-0.0 2,-0.4 -0.978 78.9 -44.6 157.0-158.4 24.6 25.9 26.0 6 7 A T E +A 47 0A 56 -2,-0.3 140,-2.6 41,-0.2 2,-0.3 -0.883 56.1 178.1-116.3 131.8 25.6 23.2 23.5 7 8 A Y E -AB 46 145A 12 39,-2.6 39,-3.2 -2,-0.4 2,-0.3 -0.984 32.7-133.6-137.2 146.0 24.5 23.3 19.9 8 9 A E E - B 0 144A 88 136,-2.7 136,-2.7 -2,-0.3 2,-0.4 -0.707 33.7-154.2 -90.8 137.3 24.7 21.5 16.5 9 10 A V E + B 0 143A 0 35,-0.4 9,-2.5 9,-0.3 2,-0.3 -0.988 16.1 176.8-121.8 123.5 25.5 24.1 13.8 10 11 A T E -CB 17 142A 28 132,-2.1 132,-2.3 -2,-0.4 2,-0.4 -0.901 29.7-116.5-122.3 153.2 24.7 23.9 10.1 11 12 A S E >> - B 0 141A 0 5,-2.5 4,-2.4 -2,-0.3 3,-0.6 -0.745 12.2-143.1 -81.3 133.0 25.1 26.2 7.2 12 13 A K T 34 S+ 0 0 92 128,-2.6 126,-0.2 125,-0.5 125,-0.1 0.704 95.6 70.5 -69.2 -17.5 22.0 27.5 5.5 13 14 A V T 34 S- 0 0 39 124,-0.6 -1,-0.2 127,-0.4 125,-0.1 0.901 126.9 -6.3 -60.3 -44.6 23.9 27.3 2.1 14 15 A N T <4 S- 0 0 55 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.421 88.3-113.9-139.1 -5.1 23.9 23.5 2.0 15 16 A G < + 0 0 45 -4,-2.4 -3,-0.1 1,-0.3 2,-0.1 0.443 68.8 142.2 76.6 0.9 22.6 22.1 5.3 16 17 A L - 0 0 24 -5,-0.2 -5,-2.5 1,-0.1 -1,-0.3 -0.403 56.2-107.3 -77.3 143.2 26.0 20.7 6.1 17 18 A H B -C 10 0A 24 19,-0.4 19,-3.1 -7,-0.2 2,-0.4 -0.437 28.4-138.2 -61.3 148.8 27.4 20.8 9.7 18 19 A V E +N 35 0B 0 -9,-2.5 -9,-0.3 17,-0.2 2,-0.3 -0.899 56.4 69.5-106.5 135.0 30.1 23.2 10.4 19 20 A G E S-N 34 0B 0 15,-2.5 15,-3.1 -2,-0.4 101,-0.1 -0.981 80.6 -31.2 160.7-141.8 33.1 22.1 12.6 20 21 A R - 0 0 17 -2,-0.3 13,-0.1 13,-0.2 4,-0.1 -0.913 51.3-124.5-120.6 141.6 36.1 19.9 12.6 21 22 A P - 0 0 8 0, 0.0 20,-0.1 0, 0.0 19,-0.0 -0.179 29.0-104.7 -79.6 174.0 36.6 16.6 10.8 22 23 A L S S+ 0 0 146 1,-0.1 2,-0.7 18,-0.1 19,-0.0 0.891 103.9 61.6 -67.8 -37.3 37.7 13.2 12.4 23 24 A A + 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.792 58.8 144.7 -99.2 117.3 41.3 13.4 11.1 24 25 A E - 0 0 63 -2,-0.7 7,-0.0 -4,-0.1 -4,-0.0 -0.980 47.6-107.2-135.4 154.7 43.5 16.2 12.2 25 26 A D - 0 0 113 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.261 33.0-106.9 -77.4 168.9 47.2 16.1 12.8 26 27 A R S S+ 0 0 246 2,-0.1 -1,-0.1 -2,-0.0 2,-0.0 0.423 79.5 110.1 -81.4 8.4 48.7 16.3 16.3 27 28 A S S S- 0 0 40 1,-0.1 0, 0.0 3,-0.0 0, 0.0 -0.277 71.6-126.9 -79.1 168.7 50.1 19.8 16.2 28 29 A L + 0 0 105 48,-0.0 47,-0.4 2,-0.0 48,-0.3 0.113 66.0 130.2 -97.3 16.0 48.8 22.9 18.1 29 30 A L S S- 0 0 118 1,-0.1 44,-0.1 46,-0.1 0, 0.0 -0.425 76.9 -83.4 -61.6 147.7 48.6 24.9 14.9 30 31 A P - 0 0 36 0, 0.0 2,-0.4 0, 0.0 44,-0.2 -0.291 49.8-134.2 -55.5 140.2 45.2 26.5 14.5 31 32 A K E -D 73 0A 16 42,-2.0 42,-2.9 -3,-0.1 2,-0.1 -0.820 17.0-110.8-104.8 139.7 42.7 24.1 13.0 32 33 A R E -D 72 0A 116 -2,-0.4 2,-0.5 40,-0.2 40,-0.2 -0.366 17.6-139.6 -70.2 137.3 40.3 24.9 10.1 33 34 A I + 0 0 0 38,-2.4 87,-2.8 87,-0.2 2,-0.3 -0.833 38.6 178.0 -90.5 127.4 36.7 25.2 10.8 34 35 A R E -NO 19 119B 62 -15,-3.1 -15,-2.5 -2,-0.5 2,-0.4 -0.853 41.2-102.0-126.5 163.7 35.0 23.6 7.8 35 36 A V E -N 18 0B 1 83,-2.4 82,-2.9 80,-0.3 -17,-0.2 -0.770 54.3-141.4 -80.8 133.4 31.8 22.5 6.2 36 37 A L - 0 0 0 -19,-3.1 -19,-0.4 -2,-0.4 5,-0.1 -0.804 7.6-113.4-105.4 144.2 31.6 18.8 6.9 37 38 A P > - 0 0 9 0, 0.0 3,-2.0 0, 0.0 -1,-0.0 -0.381 33.0-117.5 -58.9 147.0 30.5 15.7 5.0 38 39 A E T 3 S+ 0 0 124 1,-0.3 3,-0.4 2,-0.1 4,-0.0 0.843 118.0 50.7 -49.2 -37.5 27.5 14.0 6.5 39 40 A D T 3 S+ 0 0 147 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.314 113.8 43.9 -90.7 11.6 29.7 11.0 7.0 40 41 A N S < S+ 0 0 41 -3,-2.0 -1,-0.2 1,-0.0 -2,-0.1 -0.395 83.8 91.3-153.1 62.4 32.5 12.9 8.8 41 42 A N > + 0 0 27 -3,-0.4 3,-0.7 -5,-0.1 -21,-0.1 0.213 46.4 134.1-145.3 14.0 30.9 15.4 11.3 42 43 A S T 3 + 0 0 92 1,-0.2 -22,-0.1 2,-0.1 -3,-0.0 -0.250 65.1 29.5 -68.3 155.3 30.7 13.6 14.7 43 44 A G T 3 S+ 0 0 61 1,-0.1 17,-0.3 -24,-0.0 -1,-0.2 0.685 82.4 125.6 74.5 17.8 31.7 15.3 17.9 44 45 A N < + 0 0 5 -3,-0.7 2,-0.7 15,-0.1 -35,-0.4 -0.100 18.6 134.3-110.3 36.8 30.8 18.7 16.6 45 46 A S - 0 0 49 -37,-0.1 15,-0.4 -39,-0.0 -37,-0.2 -0.743 49.6-143.1 -76.7 118.6 28.5 20.0 19.2 46 47 A W E -A 7 0A 0 -39,-3.2 -39,-2.6 -2,-0.7 2,-0.5 -0.560 0.8-135.8 -79.6 150.1 29.7 23.5 19.8 47 48 A V E -AE 6 58A 50 11,-2.1 11,-3.2 -41,-0.2 2,-0.5 -0.948 15.1-159.4-107.7 128.6 29.7 25.0 23.2 48 49 A V E -AE 5 57A 2 -43,-3.1 -43,-1.5 -2,-0.5 2,-0.4 -0.930 12.4-177.0-109.6 118.4 28.4 28.6 23.3 49 50 A E E - E 0 56A 102 7,-2.5 7,-2.7 -2,-0.5 2,-0.3 -0.966 26.9-121.4-118.0 135.4 29.5 30.7 26.4 50 51 A K E - E 0 55A 126 -2,-0.4 2,-0.4 5,-0.2 5,-0.3 -0.567 26.3-175.9 -68.7 136.3 28.5 34.2 27.3 51 52 A D E > - E 0 54A 43 3,-3.2 3,-1.4 -2,-0.3 2,-0.2 -0.877 60.1 -63.8-139.7 92.6 31.5 36.5 27.6 52 53 A D T 3 S- 0 0 118 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.396 118.9 -15.4 57.4-119.4 30.4 39.9 28.8 53 54 A D T 3 S+ 0 0 144 -2,-0.2 -1,-0.2 -3,-0.1 2,-0.2 -0.006 136.4 45.2-100.1 24.7 28.2 41.2 26.1 54 55 A A E < S-E 51 0A 4 -3,-1.4 -3,-3.2 31,-0.1 2,-0.3 -0.808 81.2-103.5-147.3-167.5 29.3 38.7 23.5 55 56 A Y E -EF 50 84A 13 29,-2.4 29,-2.9 -5,-0.3 2,-0.4 -0.931 6.6-146.8-133.3 147.3 30.0 35.0 23.1 56 57 A I E -E 49 0A 27 -7,-2.7 -7,-2.5 -2,-0.3 2,-0.5 -0.952 22.9-152.9-108.0 135.3 32.9 32.6 22.9 57 58 A L E -E 48 0A 0 25,-0.4 7,-2.1 -2,-0.4 2,-0.5 -0.953 6.1-159.2-120.7 125.0 32.3 29.6 20.7 58 59 A Y E -EG 47 63A 71 -11,-3.2 -11,-2.1 -2,-0.5 2,-0.5 -0.850 9.3-173.9-112.7 132.4 34.0 26.3 21.2 59 60 A C E > S- G 0 62A 0 3,-2.6 3,-1.2 -2,-0.5 -13,-0.1 -0.975 82.3 -15.0-125.2 123.4 34.5 23.5 18.6 60 61 A K T 3 S- 0 0 75 -2,-0.5 -1,-0.1 -15,-0.4 -14,-0.1 0.849 131.8 -52.8 43.6 39.5 36.0 20.2 19.9 61 62 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.2 -14,-0.0 -3,-0.0 0.470 117.0 104.9 94.6 -4.7 37.0 22.1 23.0 62 63 A A E < -G 59 0A 8 -3,-1.2 -3,-2.6 -5,-0.0 -1,-0.2 -0.957 69.3-121.5-112.9 142.1 38.9 25.0 21.3 63 64 A P E -G 58 0A 16 0, 0.0 11,-2.8 0, 0.0 2,-0.3 -0.418 30.4-125.6 -79.8 148.2 37.6 28.6 21.0 64 65 A V E +H 73 0A 0 -7,-2.1 -7,-0.3 9,-0.2 9,-0.2 -0.659 32.1 168.4 -99.3 151.8 37.3 29.9 17.4 65 66 A A E -H 72 0A 0 7,-2.4 7,-2.6 -2,-0.3 2,-0.2 -0.976 33.4-103.2-156.1 155.9 38.8 33.1 16.0 66 67 A P E +H 71 0A 19 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.580 33.6 172.6 -89.2 143.3 39.5 34.8 12.7 67 68 A Q E > -H 70 0A 79 3,-2.3 3,-1.8 -2,-0.2 55,-0.1 -0.913 69.3 -17.3-153.3 121.4 42.8 34.8 11.0 68 69 A E T 3 S- 0 0 186 -2,-0.3 3,-0.1 1,-0.3 54,-0.0 0.861 128.5 -49.1 49.2 47.6 43.6 36.1 7.5 69 70 A G T 3 S+ 0 0 36 1,-0.2 53,-2.3 52,-0.1 2,-0.3 0.569 119.1 97.8 81.5 3.9 39.9 36.0 6.5 70 71 A K E < S-IH 121 67A 70 -3,-1.8 -3,-2.3 51,-0.3 2,-0.5 -0.915 70.8-114.8-128.4 160.0 39.2 32.4 7.7 71 72 A L E + H 0 66A 0 49,-2.7 -38,-2.4 -2,-0.3 2,-0.3 -0.789 38.4 169.6 -99.2 123.7 37.8 30.7 10.7 72 73 A F E -DH 32 65A 30 -7,-2.6 -7,-2.4 -2,-0.5 2,-0.4 -0.946 36.8-119.3-127.8 156.3 40.0 28.5 13.0 73 74 A A E -DH 31 64A 0 -42,-2.9 -42,-2.0 -2,-0.3 2,-0.8 -0.780 34.0-131.3 -83.9 131.9 40.0 26.8 16.3 74 75 A D + 0 0 7 -11,-2.8 -45,-0.1 -2,-0.4 -46,-0.0 -0.812 36.2 164.4 -92.3 107.9 42.8 28.2 18.5 75 76 A L S S+ 0 0 50 -2,-0.8 -1,-0.2 -47,-0.4 -46,-0.1 0.692 74.9 47.5 -90.4 -30.5 44.7 25.3 20.0 76 77 A L S S- 0 0 105 -48,-0.3 -47,-0.1 0, 0.0 -2,-0.1 0.811 100.2-127.6 -84.4 -38.0 47.8 27.3 21.1 77 78 A G S S+ 0 0 47 -14,-0.1 -3,-0.1 3,-0.0 -2,-0.0 0.365 80.5 103.7 111.3 -3.9 46.0 30.1 22.9 78 79 A N + 0 0 104 2,-0.0 2,-0.3 0, 0.0 -4,-0.0 0.309 47.4 115.7 -94.6 9.7 47.6 33.1 21.2 79 80 A M - 0 0 12 1,-0.0 3,-0.2 -12,-0.0 2,-0.1 -0.644 53.1-144.9 -84.2 136.0 44.8 34.0 18.8 80 81 A E + 0 0 145 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 -0.366 69.0 42.3 -90.7 165.5 43.1 37.4 19.2 81 82 A D + 0 0 62 -16,-0.1 -1,-0.2 -2,-0.1 23,-0.1 0.875 55.6 154.8 68.6 53.7 39.5 38.3 18.6 82 83 A K + 0 0 60 -3,-0.2 -25,-0.4 -17,-0.1 2,-0.4 0.401 41.2 98.9 -90.1 0.6 37.7 35.4 20.2 83 84 A K - 0 0 72 -27,-0.1 19,-2.2 -29,-0.1 20,-0.5 -0.768 52.2-170.2 -98.5 134.6 34.4 37.2 21.0 84 85 A W E -FJ 55 101A 0 -29,-2.9 -29,-2.4 -2,-0.4 2,-0.6 -0.953 22.6-137.0-125.3 144.2 31.4 36.9 18.6 85 86 A I E - J 0 100A 66 15,-3.5 15,-2.9 -2,-0.3 2,-0.6 -0.891 24.0-164.9 -98.8 117.0 28.1 38.7 18.3 86 87 A V E - J 0 99A 1 -2,-0.6 2,-0.5 13,-0.2 13,-0.2 -0.944 10.2-175.4-111.8 114.3 25.4 36.0 17.7 87 88 A T E - J 0 98A 50 11,-2.2 11,-2.1 -2,-0.6 -85,-0.1 -0.951 24.3-125.7-123.8 131.2 22.2 37.4 16.5 88 89 A H E - J 0 97A 76 -2,-0.5 9,-0.3 -87,-0.5 3,-0.1 -0.373 15.4-165.9 -64.0 139.0 18.8 35.8 15.8 89 90 A Q > + 0 0 17 7,-3.0 3,-2.6 4,-0.3 4,-0.2 -0.703 11.7 175.3-123.1 80.5 17.5 36.4 12.2 90 91 A P G > S+ 0 0 91 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.717 72.8 70.1 -65.9 -20.7 13.8 35.3 12.7 91 92 A Q G 3 S+ 0 0 51 1,-0.3 3,-0.1 42,-0.1 -3,-0.0 0.578 103.6 45.7 -65.5 -13.6 12.9 36.4 9.2 92 93 A H G < S- 0 0 22 -3,-2.6 -1,-0.3 1,-0.4 2,-0.1 0.290 132.5 -62.1-111.0 -0.7 15.1 33.5 8.1 93 94 A G X - 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