==== 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 07-NOV-90 5ER1 . COMPND 2 MOLECULE: ENDOTHIAPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPHONECTRIA PARASITICA; . AUTHOR J.B.COOPER,S.I.FOUNDLING,T.L.BLUNDELL . 331 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13362.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 68.6 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 . 108 32.6 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 . 1 0.3 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 . 42 12.7 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 . 17 5.1 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 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 . 2 4 3 3 3 3 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 E S 0 0 67 0, 0.0 152,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 155.4 29.7 8.9 25.2 2 -1 E T - 0 0 55 150,-0.2 2,-0.3 96,-0.1 170,-0.2 -0.817 360.0-160.9-131.3 173.9 28.2 8.2 21.6 3 0 E G E -A 171 0A 2 168,-1.3 168,-2.7 -2,-0.3 2,-0.4 -0.939 4.1-171.9-150.7 142.0 29.5 8.9 18.0 4 1 E S E +A 170 0A 53 93,-1.2 2,-0.4 -2,-0.3 166,-0.3 -0.998 9.0 179.1-129.9 134.9 27.7 9.2 14.7 5 2 E A E -A 169 0A 11 164,-3.0 164,-1.8 -2,-0.4 2,-0.5 -0.997 29.2-113.7-135.2 145.7 29.4 9.4 11.3 6 3 E T E -A 168 0A 79 -2,-0.4 2,-0.4 162,-0.2 162,-0.3 -0.588 24.3-157.3 -69.9 116.8 28.1 9.6 7.7 7 4 E T E -A 167 0A 1 160,-2.6 160,-2.7 -2,-0.5 12,-0.2 -0.813 11.0-171.2 -98.1 139.0 28.9 6.8 5.5 8 5 E T E -F 18 0B 59 10,-2.3 10,-2.0 -2,-0.4 153,-0.0 -0.977 25.9-112.5-129.6 135.3 28.8 7.4 1.7 9 6 E P E -F 17 0B 20 0, 0.0 8,-0.3 0, 0.0 3,-0.1 -0.262 18.3-139.6 -68.5 161.5 29.1 4.9 -1.2 10 7 E I S S+ 0 0 33 6,-2.2 2,-0.3 1,-0.0 7,-0.1 0.481 78.2 10.8 -99.7 -6.7 32.2 5.1 -3.2 11 8 E D S > S- 0 0 62 5,-0.4 3,-1.4 110,-0.0 153,-0.1 -0.944 86.4 -90.5-156.0 175.0 30.6 4.6 -6.6 12 9 E S T 3 S+ 0 0 92 -2,-0.3 152,-0.0 1,-0.3 -1,-0.0 0.672 122.4 53.6 -68.5 -19.6 27.2 4.4 -8.3 13 10 E L T 3 S- 0 0 60 267,-0.1 -1,-0.3 150,-0.0 268,-0.0 0.391 107.2-124.8 -94.4 2.2 26.8 0.7 -7.8 14 11 E D < + 0 0 1 -3,-1.4 -2,-0.1 2,-0.1 3,-0.1 0.935 49.1 164.6 56.5 47.6 27.5 1.1 -3.9 15 12 E D - 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0 0 60 61,-2.0 3,-3.0 1,-0.2 -1,-0.1 -0.352 30.8-137.4 -55.2 120.7 55.4 0.7 -0.8 50 47 E A T 3 S+ 0 0 93 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.437 103.5 64.6 -64.3 -1.5 55.3 3.7 -3.0 51 48 E S T 3 S+ 0 0 115 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.537 104.9 47.3 -94.7 -7.7 54.6 1.4 -5.9 52 49 E E S < S+ 0 0 39 -3,-3.0 2,-0.5 66,-0.0 -2,-0.2 0.010 89.9 88.2-124.9 23.5 51.3 0.5 -4.2 53 50 E V + 0 0 42 -3,-0.3 2,-0.2 -5,-0.1 64,-0.1 -0.987 45.0 165.3-123.2 118.3 49.9 4.0 -3.3 54 51 E D S S- 0 0 121 -2,-0.5 3,-0.1 63,-0.1 -3,-0.0 -0.565 73.1 -34.3-141.9 78.4 47.8 5.5 -6.0 55 52 E G S S+ 0 0 60 1,-0.4 65,-0.0 -2,-0.2 -2,-0.0 0.194 96.2 132.4 99.0 -11.5 45.7 8.5 -4.9 56 53 E Q - 0 0 12 61,-0.1 2,-0.4 1,-0.1 -1,-0.4 -0.348 62.2-113.3 -69.4 152.2 44.9 7.2 -1.4 57 54 E T - 0 0 69 63,-0.2 -13,-0.3 -26,-0.1 2,-0.3 -0.737 37.5-144.3 -83.8 136.0 45.3 9.5 1.6 58 55 E I - 0 0 45 -2,-0.4 2,-0.4 -15,-0.1 -13,-0.3 -0.703 8.1-129.2-107.6 150.0 48.1 8.2 3.8 59 56 E Y B -o 45 0D 0 -15,-2.1 -13,-1.6 -2,-0.3 3,-0.1 -0.819 19.5-157.7-101.5 121.6 48.5 8.2 7.6 60 57 E T > - 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