==== 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 27-JUL-94 1EPR . COMPND 2 MOLECULE: ENDOTHIAPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPHONECTRIA PARASITICA; . AUTHOR M.BADASSO,M.CRAWFORD,J.B.COOPER,T.L.BLUNDELL . 331 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 31.1 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 . 2 0.6 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 . 46 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 5.4 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 3 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 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 3 4 4 4 3 1 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 2 0 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 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 E S 0 0 72 0, 0.0 152,-1.9 0, 0.0 153,-0.3 0.000 360.0 360.0 360.0 159.3 27.8 32.9 -2.7 2 -1 E T - 0 0 56 150,-0.2 2,-0.3 96,-0.2 170,-0.2 -0.956 360.0-158.4-143.4 165.9 25.8 30.2 -0.8 3 0 E G E -A 171 0A 2 168,-1.8 168,-1.8 -2,-0.3 2,-0.3 -0.963 2.0-166.6-139.3 163.6 25.3 29.1 2.8 4 1 E S E -A 170 0A 66 93,-1.2 2,-0.4 -2,-0.3 166,-0.2 -0.964 8.5-179.6-154.7 135.8 24.1 26.0 4.6 5 2 E A E -A 169 0A 8 164,-2.1 164,-2.5 -2,-0.3 2,-0.3 -0.992 27.3-125.5-146.3 126.6 23.1 25.4 8.2 6 3 E T E -A 168 0A 85 -2,-0.4 2,-0.4 162,-0.2 162,-0.2 -0.556 28.2-156.4 -63.1 129.6 21.9 22.6 10.3 7 4 E T E -A 167 0A 0 160,-1.6 160,-2.2 -2,-0.3 12,-0.2 -0.928 7.5-154.1-118.0 145.2 18.6 23.3 12.0 8 5 E T E -F 18 0B 60 10,-2.3 10,-2.2 -2,-0.4 153,-0.0 -0.957 19.7-119.7-136.2 116.6 17.5 21.6 15.2 9 6 E P E -F 17 0B 23 0, 0.0 8,-0.3 0, 0.0 3,-0.1 -0.315 23.8-143.8 -46.5 133.7 14.3 20.7 16.9 10 7 E I S S+ 0 0 32 6,-2.3 2,-0.2 1,-0.0 7,-0.1 0.747 78.8 7.7 -81.5 -24.8 14.4 22.5 20.3 11 8 E D S > S- 0 0 62 5,-0.4 3,-1.3 0, 0.0 5,-0.1 -0.838 90.2 -89.0-143.1-176.0 12.5 19.6 22.0 12 9 E S T 3 S+ 0 0 101 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.395 117.7 63.7 -81.7 3.3 11.3 16.1 21.2 13 10 E L T 3 S- 0 0 53 3,-0.1 -1,-0.3 268,-0.0 151,-0.0 0.520 105.4-120.9 -97.1 -8.7 8.0 17.4 19.9 14 11 E D < + 0 0 0 -3,-1.3 -2,-0.1 2,-0.1 3,-0.1 0.865 58.7 155.3 60.4 37.2 9.4 19.4 17.0 15 12 E D - 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0 0 55 -2,-0.1 2,-0.5 -5,-0.1 -3,-0.2 -0.264 24.0-152.0 -57.3 133.7 31.1 36.6 15.9 28 25 E Q E < -G 23 0C 35 -5,-1.9 -5,-3.0 -7,-0.0 2,-0.6 -0.980 20.2-140.6 -98.7 123.4 28.7 36.0 18.7 29 26 E T E +G 22 0C 72 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.790 24.6 177.8 -90.5 119.3 26.8 32.8 17.9 30 27 E L E -G 21 0C 0 -9,-2.3 -9,-2.6 -2,-0.6 2,-0.9 -0.874 32.0-122.9-117.6 147.1 23.1 32.9 18.8 31 28 E N E -G 20 0C 60 -2,-0.3 92,-2.7 -11,-0.2 93,-0.6 -0.829 38.8-171.7 -96.5 101.6 20.4 30.2 18.3 32 29 E L E -Gi 19 124C 0 -13,-2.4 -13,-2.4 -2,-0.9 2,-0.8 -0.701 25.5-126.6-102.6 143.1 17.7 31.9 16.2 33 30 E D E - i 0 125C 12 91,-2.4 93,-1.7 -2,-0.3 2,-0.5 -0.816 25.4-138.3 -88.0 102.7 14.2 30.6 15.2 34 31 E F E - i 0 126C 2 -2,-0.8 2,-0.5 -17,-0.4 93,-0.2 -0.563 27.3-175.7 -64.3 117.0 14.0 30.9 11.4 35 32 E D E > - i 0 127C 10 91,-2.7 93,-2.9 -2,-0.5 3,-1.1 -0.939 24.2-175.5-131.0 100.5 10.4 32.2 10.8 36 33 E T T 3 S+ 0 0 0 -2,-0.5 159,-0.5 1,-0.2 94,-0.2 0.335 82.3 70.1 -82.3 12.2 9.0 32.7 7.3 37 34 E G T 3 S+ 0 0 15 92,-0.1 2,-0.3 157,-0.1 -1,-0.2 0.243 104.4 32.9-109.0 13.3 5.9 34.2 8.7 38 35 E S < - 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0 0 52 61,-2.3 3,-1.5 -2,-0.2 63,-0.1 -0.344 35.4-130.0 -58.5 137.6 15.7 44.1 31.1 50 47 E A G > S+ 0 0 85 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.780 101.6 58.3 -76.9 -31.9 17.5 41.6 33.3 51 48 E S G 3 S+ 0 0 117 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.480 105.5 56.9 -71.5 -1.7 14.5 40.0 35.1 52 49 E E G < S+ 0 0 52 -3,-1.5 2,-0.4 -4,-0.1 -1,-0.3 0.321 88.4 85.8-111.9 0.6 13.3 39.1 31.6 53 50 E V < + 0 0 48 -3,-1.4 64,-0.1 -5,-0.1 65,-0.1 -0.914 50.5 172.2-111.1 140.4 16.4 37.1 30.5 54 51 E D - 0 0 63 -2,-0.4 3,-0.1 63,-0.2 -3,-0.0 -0.449 66.7 -39.8-158.8 55.0 16.5 33.5 31.5 55 52 E G S S+ 0 0 67 1,-0.3 65,-0.1 66,-0.0 63,-0.1 0.103 95.6 129.3 109.5 -25.9 19.2 31.2 30.2 56 53 E Q - 0 0 16 61,-0.2 2,-0.4 66,-0.1 -1,-0.3 0.034 63.4-110.4 -50.4 158.6 19.2 32.6 26.6 57 54 E T - 0 0 70 63,-0.1 2,-0.3 -26,-0.1 -13,-0.3 -0.828 38.1-142.3 -94.3 140.1 22.4 33.7 24.8 58 55 E I - 0 0 64 -2,-0.4 2,-0.5 -15,-0.1 -13,-0.3 -0.787 8.3-129.6-112.1 148.3 22.6 37.5 24.4 59 56 E Y B -o 45 0D 0 -15,-2.5 -13,-2.2 -2,-0.3 -12,-0.3 -0.836 19.5-165.2 -84.7 120.4 23.9 39.8 21.7 60 57 E T > - 0 0 18 -2,-0.5 3,-0.6 -15,-0.2 4,-0.3 -0.918 7.1-176.4-108.7 107.0 26.3 42.5 23.0 61 58 E P G > S+ 0 0 7 0, 0.0 3,-1.5 0, 0.0 6,-0.3 0.849 80.7 62.0 -71.4 -36.3 26.6 45.2 20.4 62 59 E S G 3 S+ 0 0 110 1,-0.3 -2,-0.0 3,-0.0 5,-0.0 0.764 102.0 53.8 -59.9 -27.2 29.2 47.2 22.4 63 60 E K G < S+ 0 0 146 -3,-0.6 2,-0.4 2,-0.0 -1,-0.3 0.562 94.2 83.5 -87.7 -7.5 31.5 44.1 22.1 64 61 E S < - 0 0 9 -3,-1.5 3,-0.4 -4,-0.3 -40,-0.1 -0.840 65.8-154.3 -99.4 135.1 31.2 44.0 18.3 65 62 E T S S+ 0 0 109 -40,-1.3 -1,-0.1 -2,-0.4 -3,-0.0 0.598 92.8 48.7 -80.4 -14.4 33.6 46.3 16.3 66 63 E T S S+ 0 0 53 -41,-0.2 -1,-0.2 27,-0.1 37,-0.2 0.427 81.6 112.9-113.4 -2.4 31.3 46.4 13.3 67 63AE A - 0 0 23 -3,-0.4 2,-0.4 -6,-0.3 25,-0.2 -0.443 44.7-170.0 -64.6 141.2 28.0 47.3 15.0 68 64 E K E -L 91 0C 141 23,-2.1 23,-2.1 -2,-0.1 2,-0.1 -0.988 25.9-116.1-135.1 130.5 26.5 50.7 14.3 69 65 E L E -L 90 0C 100 -2,-0.4 2,-1.0 21,-0.2 21,-0.2 -0.382 20.7-137.9 -59.1 130.1 23.6 52.3 16.1 70 66 E L E > - 0 0 46 19,-3.1 3,-1.2 3,-0.1 19,-0.4 -0.822 32.1-132.1 -90.3 98.7 20.7 52.9 13.8 71 67 E S E 3 S- 0 0 106 -2,-1.0 3,-0.1 1,-0.2 19,-0.0 -0.254 75.7 -2.4 -65.7 127.1 19.8 56.4 15.0 72 68 E G E 3 S+ 0 0 68 1,-0.3 2,-0.3 66,-0.0 -1,-0.2 0.162 96.6 129.5 89.3 -19.0 16.1 57.1 15.8 73 69 E A E < + 0 0 8 -3,-1.2 16,-0.7 16,-0.2 2,-0.3 -0.504 27.3 166.7 -73.6 130.0 15.0 53.6 14.7 74 70 E T E -LM 88 137C 75 63,-2.6 63,-3.4 -2,-0.3 2,-0.3 -0.933 13.9-159.8-129.9 163.1 12.7 51.6 17.0 75 71 E W E -L 87 0C 6 12,-1.7 12,-1.6 -2,-0.3 2,-0.3 -0.989 9.0-173.9-139.6 153.0 10.6 48.5 16.4 76 72 E S E +L 86 0C 84 59,-0.5 2,-0.3 -2,-0.3 10,-0.2 -0.980 12.6 176.1-139.7 140.3 7.7 46.8 18.1 77 73 E I E -L 85 0C 20 8,-2.0 8,-1.4 -2,-0.3 2,-0.3 -0.980 13.7-171.0-140.2 146.5 6.2 43.4 17.1 78 74 E S E -L 84 0C 93 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.992 16.3-146.7-136.5 142.5 3.5 41.0 18.3 79 75 E Y > - 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