==== 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 15-JUN-92 1EED . COMPND 2 MOLECULE: ENDOTHIAPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPHONECTRIA PARASITICA; . AUTHOR T.L.BLUNDELL,C.FRAZAO,J.B.COOPER . 331 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 32.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 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 . 43 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 2 0 0 1 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 . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 4 4 2 4 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 1 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 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 P S 0 0 61 0, 0.0 152,-2.2 0, 0.0 153,-0.3 0.000 360.0 360.0 360.0 159.1 27.9 32.9 -2.7 2 -1 P T - 0 0 56 150,-0.2 2,-0.3 96,-0.1 170,-0.2 -0.905 360.0-156.9-137.6 172.0 25.9 30.3 -0.7 3 0 P G E -A 171 0A 2 168,-1.7 168,-3.2 -2,-0.3 2,-0.3 -0.990 4.3-169.4-143.4 148.6 25.4 29.4 2.9 4 1 P S E +A 170 0A 60 93,-2.1 2,-0.4 -2,-0.3 166,-0.2 -0.973 10.4 174.4-145.5 132.8 24.3 26.1 4.6 5 2 P A E -A 169 0A 8 164,-2.4 164,-2.7 -2,-0.3 2,-0.3 -0.981 28.7-120.8-141.4 140.0 23.3 25.7 8.2 6 3 P T E -A 168 0A 79 -2,-0.4 2,-0.4 162,-0.2 162,-0.3 -0.664 25.0-158.1 -83.7 138.9 21.9 22.9 10.3 7 4 P T E -A 167 0A 0 160,-2.3 160,-2.5 -2,-0.3 12,-0.2 -0.929 8.2-167.3-117.9 138.1 18.6 23.5 12.0 8 5 P T E -F 18 0B 59 10,-2.3 10,-3.5 -2,-0.4 2,-0.1 -0.983 25.5-110.2-129.8 144.9 17.5 21.6 15.1 9 6 P P E -F 17 0B 24 0, 0.0 8,-0.3 0, 0.0 3,-0.0 -0.331 23.3-136.8 -71.3 147.5 14.2 21.1 17.0 10 7 P I S S+ 0 0 26 6,-2.5 2,-0.3 -2,-0.1 7,-0.1 0.675 80.9 8.0 -77.8 -15.1 14.2 22.8 20.3 11 8 P D S > S- 0 0 57 5,-0.4 3,-1.4 110,-0.0 5,-0.1 -0.897 89.2 -86.1-155.2-179.7 12.5 19.9 22.0 12 9 P S T 3 S+ 0 0 100 1,-0.3 -2,-0.0 -2,-0.3 0, 0.0 0.540 122.1 57.0 -81.6 -4.0 11.4 16.3 21.5 13 10 P L T 3 S- 0 0 52 3,-0.0 -1,-0.3 268,-0.0 -3,-0.0 0.432 106.8-122.0 -97.2 0.7 8.0 17.6 20.1 14 11 P D < + 0 0 0 -3,-1.4 -2,-0.1 1,-0.1 3,-0.1 0.897 52.5 162.3 57.0 42.6 9.6 19.7 17.3 15 12 P D - 0 0 17 317,-0.2 2,-0.3 1,-0.1 292,-0.1 0.776 67.9 -19.8 -52.8 -38.3 7.8 22.7 18.7 16 13 P A - 0 0 2 316,-0.2 -6,-2.5 -5,-0.1 -5,-0.4 -0.913 66.1-120.3-169.6 167.4 10.2 24.9 16.8 17 14 P Y E -F 9 0B 4 -8,-0.3 17,-0.5 -2,-0.3 2,-0.4 -0.983 17.9-157.0-125.9 133.7 13.7 24.7 15.1 18 15 P I E -F 8 0B 22 -10,-3.5 -10,-2.3 -2,-0.4 15,-0.2 -0.877 5.3-170.1-114.4 149.8 16.9 26.9 16.0 19 16 P T E -G 32 0C 0 13,-2.3 13,-2.1 -2,-0.4 2,-0.3 -0.996 28.8-114.0-133.6 130.6 19.7 27.6 13.6 20 17 P P E -G 31 0C 47 0, 0.0 77,-0.4 0, 0.0 2,-0.4 -0.490 32.6-174.1 -70.7 142.9 23.0 29.2 14.8 21 18 P V E -G 30 0C 0 9,-2.7 9,-2.8 -2,-0.3 2,-0.6 -0.995 17.4-139.3-131.8 143.7 23.7 32.6 13.4 22 19 P Q E -GH 29 95C 58 73,-2.6 73,-2.9 -2,-0.4 2,-0.4 -0.879 23.6-176.8-108.8 120.4 27.0 34.6 13.9 23 20 P I E > +GH 28 94C 0 5,-2.7 5,-1.8 -2,-0.6 71,-0.2 -0.956 42.4 4.8-114.7 127.6 26.5 38.3 14.6 24 21 P G T 5S- 0 0 7 69,-3.3 4,-0.1 -2,-0.4 40,-0.1 -0.246 90.7 -49.2 99.8 171.1 29.2 40.9 15.0 25 22 P T T 5S+ 0 0 54 1,-0.3 40,-2.5 2,-0.2 41,-0.3 -0.995 131.0 27.7-136.4 118.2 33.0 41.0 14.8 26 23 P P T 5S- 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.706 121.4-100.2 -66.8 163.4 34.4 38.9 16.3 27 24 P A T 5 - 0 0 65 -2,-0.1 2,-0.6 -5,-0.1 -3,-0.2 -0.004 29.2-161.5 -59.4 124.5 31.3 36.6 15.9 28 25 P Q E < -G 23 0C 30 -5,-1.8 -5,-2.7 -4,-0.1 2,-0.5 -0.932 18.7-143.4 -98.9 130.3 28.9 36.1 18.7 29 26 P T E +G 22 0C 70 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.716 24.7 172.5-101.3 121.4 26.9 32.9 18.0 30 27 P L E -G 21 0C 1 -9,-2.8 -9,-2.7 -2,-0.5 2,-0.7 -0.935 32.6-127.0-127.9 155.3 23.2 33.0 18.9 31 28 P N E -G 20 0C 59 -2,-0.3 92,-2.5 -11,-0.2 93,-0.4 -0.913 36.8-174.8-109.6 110.8 20.6 30.2 18.1 32 29 P L E -G 19 0C 0 -13,-2.1 -13,-2.3 -2,-0.7 2,-0.7 -0.670 28.7-119.6-108.6 157.5 17.6 32.0 16.3 33 30 P D E -i 125 0C 10 91,-2.4 93,-2.2 -2,-0.3 2,-0.5 -0.823 26.5-138.7 -96.9 114.1 14.2 30.7 15.1 34 31 P F E -i 126 0C 1 -2,-0.7 2,-0.6 -17,-0.5 93,-0.2 -0.666 25.1-168.8 -77.3 120.0 14.1 31.2 11.4 35 32 P D E > -i 127 0C 2 91,-2.7 93,-2.7 -2,-0.5 3,-1.3 -0.909 23.1-173.0-127.0 98.3 10.4 32.4 10.8 36 33 P T T 3 S+ 0 0 1 -2,-0.6 159,-0.5 1,-0.2 94,-0.2 0.564 85.3 67.1 -69.9 3.1 9.0 32.6 7.3 37 34 P G T 3 S+ 0 0 10 92,-0.1 2,-0.3 157,-0.1 -1,-0.2 0.151 103.7 36.1-109.9 18.3 5.9 34.3 8.8 38 35 P S < - 0 0 9 -3,-1.3 91,-2.5 88,-0.1 90,-0.6 -0.946 64.4-140.9-162.9 172.5 7.6 37.6 10.0 39 36 P S + 0 0 1 94,-0.3 2,-0.4 -2,-0.3 95,-0.1 0.110 62.2 101.5-134.2 26.3 10.3 39.9 8.8 40 37 P D - 0 0 0 94,-0.1 2,-0.7 93,-0.1 87,-0.4 -0.920 50.9-154.7-115.8 136.1 12.3 41.1 11.9 41 38 P L + 0 0 6 -2,-0.4 66,-2.8 85,-0.3 2,-0.4 -0.948 36.1 162.4-103.3 101.9 15.8 39.8 13.0 42 39 P W E -jK 107 125C 0 83,-1.6 83,-1.7 -2,-0.7 2,-0.3 -0.949 16.1-171.1-123.3 149.1 15.7 40.5 16.7 43 40 P V E -jK 108 124C 0 64,-2.2 66,-2.3 -2,-0.4 81,-0.3 -0.961 33.4-102.5-136.2 153.1 17.8 39.2 19.5 44 41 P F + 0 0 0 79,-2.2 15,-2.1 -2,-0.3 2,-0.3 -0.482 57.9 172.7 -55.4 141.9 18.2 39.1 23.4 45 42 P S B > -o 59 0D 2 64,-0.4 3,-1.5 13,-0.3 15,-0.2 -0.937 53.1 -86.0-149.0 179.0 21.0 41.6 24.1 46 43 P S T 3 S+ 0 0 59 13,-3.0 14,-0.1 -2,-0.3 4,-0.1 0.764 123.2 63.1 -69.7 -13.7 22.9 43.5 26.7 47 44 P E T 3 S+ 0 0 55 12,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.636 76.9 107.8 -72.0 -21.6 20.0 46.0 26.5 48 45 P T S < S- 0 0 10 -3,-1.5 63,-0.2 1,-0.1 62,-0.2 -0.432 86.5 -98.3 -71.2 134.7 17.3 43.7 27.6 49 46 P T > - 0 0 66 61,-2.4 3,-1.6 -2,-0.2 4,-0.4 -0.157 37.6-132.9 -51.2 133.9 15.8 44.2 31.1 50 47 P A G > S+ 0 0 80 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.865 101.2 57.3 -73.5 -33.4 17.7 41.7 33.2 51 48 P S G 3 S+ 0 0 108 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.630 104.7 56.0 -77.1 0.2 14.9 40.2 35.0 52 49 P E G < S+ 0 0 52 -3,-1.6 2,-0.6 2,-0.1 -1,-0.3 0.376 92.6 88.8 -96.5 -1.0 13.3 39.3 31.5 53 50 P V < + 0 0 42 -3,-1.5 64,-0.1 -4,-0.4 65,-0.0 -0.863 50.1 162.7-103.8 129.8 16.5 37.5 30.7 54 51 P D - 0 0 84 -2,-0.6 64,-0.1 63,-0.2 -1,-0.1 0.425 68.2 -34.1-110.0-119.5 16.7 33.7 31.6 55 52 P G S S+ 0 0 54 62,-0.4 -2,-0.1 2,-0.0 63,-0.1 0.305 96.2 123.7 -97.1 14.3 19.2 31.3 30.2 56 53 P Q - 0 0 13 61,-0.2 2,-0.3 66,-0.1 65,-0.1 -0.334 65.9-111.1 -68.6 159.3 19.4 32.8 26.6 57 54 P T - 0 0 71 63,-0.2 2,-0.3 -26,-0.1 -13,-0.3 -0.665 37.3-141.5 -81.6 133.1 22.6 34.0 24.9 58 55 P I - 0 0 61 -2,-0.3 2,-0.4 -15,-0.1 -13,-0.3 -0.752 6.7-129.6-104.5 147.2 22.8 37.7 24.5 59 56 P Y B -o 45 0D 0 -15,-2.1 -13,-3.0 -2,-0.3 -12,-0.3 -0.768 19.4-163.5 -84.8 128.7 24.1 40.0 21.8 60 57 P T > - 0 0 19 -2,-0.4 3,-1.5 -15,-0.2 4,-0.3 -0.875 6.5-172.8-116.1 100.2 26.4 42.7 23.1 61 58 P P G > S+ 0 0 9 0, 0.0 3,-1.5 0, 0.0 6,-0.3 0.811 82.2 65.1 -68.5 -24.6 26.8 45.4 20.5 62 59 P S G 3 S+ 0 0 109 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.613 100.2 55.1 -68.7 -11.6 29.5 47.2 22.5 63 60 P K G < S+ 0 0 139 -3,-1.5 2,-0.5 -37,-0.0 -1,-0.2 0.426 92.0 81.9 -97.5 -11.9 31.6 44.1 21.9 64 61 P S X - 0 0 9 -3,-1.5 3,-0.7 -4,-0.3 -40,-0.1 -0.887 62.8-157.5-103.2 129.1 31.4 44.1 18.2 65 62 P T T 3 S+ 0 0 114 -40,-2.5 -1,-0.1 -2,-0.5 -3,-0.0 0.673 92.7 52.0 -76.1 -17.6 33.7 46.4 16.3 66 63 P T T 3 S+ 0 0 52 -41,-0.3 -1,-0.2 27,-0.1 2,-0.2 0.404 83.7 112.3-100.7 3.2 31.4 46.4 13.2 67 63AP A < - 0 0 25 -3,-0.7 2,-0.4 -6,-0.3 25,-0.2 -0.525 42.2-176.0 -77.3 142.7 28.1 47.4 15.0 68 64 P K E -L 91 0C 139 23,-2.3 23,-2.6 -2,-0.2 2,-0.3 -0.996 28.3-120.1-135.4 134.4 26.6 50.9 14.4 69 65 P L E -L 90 0C 94 -2,-0.4 2,-0.9 21,-0.2 21,-0.3 -0.502 21.1-136.4 -66.0 130.4 23.6 52.3 16.2 70 66 P L E > - 0 0 52 19,-3.5 3,-1.3 -2,-0.3 19,-0.4 -0.796 33.1-133.8 -95.5 108.4 20.8 53.1 13.6 71 67 P S E 3 S+ 0 0 102 -2,-0.9 3,-0.1 1,-0.3 19,-0.0 -0.434 77.8 10.4 -70.1 137.8 20.0 56.5 15.1 72 68 P G E 3 S+ 0 0 73 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.221 96.1 124.4 96.1 -29.0 16.3 57.3 15.6 73 69 P A E < + 0 0 8 -3,-1.3 16,-0.6 16,-0.2 2,-0.3 -0.547 28.8 167.7 -88.2 136.4 15.0 53.7 14.8 74 70 P T E -LM 88 137C 82 63,-2.1 63,-2.3 -2,-0.3 2,-0.3 -0.882 13.9-155.4-133.1 169.1 12.8 51.7 17.1 75 71 P W E -L 87 0C 7 12,-1.8 12,-1.6 -2,-0.3 2,-0.3 -0.960 12.1-179.6-148.4 157.5 10.8 48.5 16.7 76 72 P S E +L 86 0C 88 -2,-0.3 2,-0.4 59,-0.3 10,-0.2 -0.862 11.9 175.0-162.3 125.1 7.8 46.8 18.3 77 73 P I E -L 85 0C 14 8,-2.0 8,-1.8 -2,-0.3 2,-0.3 -0.983 10.7-172.6-135.9 135.5 6.4 43.4 17.1 78 74 P S E -L 84 0C 91 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.979 17.6-149.0-128.3 152.9 3.6 41.1 18.5 79 75 P Y > - 0 0 20 4,-2.8 3,-2.4 -2,-0.3 -41,-0.0 -0.645 31.0 -94.7-118.0 178.4 3.1 37.7 17.1 80 76 P G T 3 S+ 0 0 69 252,-5.5 -1,-0.1 1,-0.3 0, 0.0 0.808 119.9 60.0 -61.8 -34.2 0.0 35.3 16.7 81 77 P D T 3 S- 0 0 72 251,-0.8 -1,-0.3 1,-0.1 3,-0.1 0.539 119.6-106.1 -72.7 -0.4 0.7 33.5 20.0 82 78 P G S < S+ 0 0 62 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.1 0.369 78.5 128.4 104.1 -19.7 0.3 36.8 22.0 83 79 P S + 0 0 2 -5,-0.1 -4,-2.8 30,-0.1 2,-0.3 -0.339 32.7 178.7 -88.8 165.1 4.0 37.3 22.7 84 80 P S E +L 78 0C 53 -6,-0.2 29,-1.4 -3,-0.1 2,-0.3 -0.982 14.6 179.7-158.9 154.1 5.8 40.6 22.0 85 80AP S E +LN 77 112C 4 -8,-1.8 -8,-2.0 -2,-0.3 2,-0.3 -0.979 3.9 179.5-155.9 167.1 9.1 42.5 22.2 86 81 P S E +LN 76 111C 27 25,-1.6 24,-2.9 -2,-0.3 25,-1.6 -0.979 18.6 119.0-156.7 169.8 10.5 46.0 21.3 87 82 P G E -LN 75 109C 8 -12,-1.6 -12,-1.8 -2,-0.3 22,-0.2 -0.972 53.1 -54.9 165.4-138.8 13.8 48.0 21.4 88 83 P D E -LN 74 108C 20 20,-1.7 20,-2.1 -2,-0.3 2,-0.4 -0.581 45.0-107.9-132.8-178.3 16.2 49.7 19.2 89 84 P V E + N 0 107C 0 -16,-0.6 -19,-3.5 -19,-0.4 2,-0.3 -0.969 22.1 175.4-135.3 135.0 18.4 49.0 16.2 90 85 P Y E -LN 69 106C 34 16,-2.2 16,-3.6 -2,-0.4 2,-0.4 -0.835 25.0-135.7-117.9 158.5 22.0 48.4 15.1 91 86 P T E +LN 68 105C 22 -23,-2.6 -23,-2.3 -2,-0.3 2,-0.3 -0.947 40.4 150.6-102.9 143.4 23.4 47.4 11.8 92 87 P D E - 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