==== 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 1EPQ . COMPND 2 MOLECULE: ENDOTHIAPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPHONECTRIA PARASITICA; . AUTHOR C.DEALWIS,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) . 13104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 70.1 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 . 34 10.3 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 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 3 4 3 3 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 E S 0 0 61 0, 0.0 152,-1.9 0, 0.0 153,-0.3 0.000 360.0 360.0 360.0 168.6 28.0 32.7 -2.8 2 -1 E T - 0 0 57 150,-0.2 2,-0.3 96,-0.1 170,-0.2 -0.899 360.0-156.4-142.7 168.8 26.0 30.2 -0.8 3 0 E G E -A 171 0A 3 168,-1.9 168,-2.6 -2,-0.3 2,-0.3 -0.985 1.7-165.5-150.2 163.4 25.4 29.0 2.8 4 1 E S E +A 170 0A 65 93,-1.3 2,-0.4 -2,-0.3 166,-0.2 -0.958 11.2 178.3-152.2 122.6 24.3 25.9 4.5 5 2 E A E -A 169 0A 7 164,-2.4 164,-2.7 -2,-0.3 2,-0.3 -0.988 26.7-124.4-136.0 137.5 23.2 25.5 8.1 6 3 E T E -A 168 0A 80 -2,-0.4 2,-0.5 162,-0.2 162,-0.3 -0.616 23.7-158.0 -76.2 131.9 21.9 22.7 10.3 7 4 E T E -A 167 0A 0 160,-2.0 160,-2.8 -2,-0.3 155,-0.2 -0.957 7.8-165.0-116.2 134.3 18.6 23.3 12.0 8 5 E T E -F 18 0B 55 10,-2.2 10,-2.8 -2,-0.5 2,-0.0 -0.899 24.6-110.7-122.7 142.1 17.6 21.3 15.1 9 6 E P E -F 17 0B 30 0, 0.0 8,-0.3 0, 0.0 3,-0.0 -0.412 22.8-136.4 -68.7 147.6 14.3 20.8 16.9 10 7 E I S S+ 0 0 27 6,-2.2 2,-0.3 -2,-0.0 7,-0.1 0.678 79.7 2.7 -81.2 -18.4 14.2 22.5 20.3 11 8 E D S > S- 0 0 60 5,-0.4 3,-1.1 0, 0.0 5,-0.1 -0.849 88.4 -83.2-154.0-178.1 12.5 19.6 22.1 12 9 E S T 3 S+ 0 0 99 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.576 120.8 58.6 -73.8 -13.2 11.3 16.0 21.5 13 10 E L T 3 S- 0 0 53 3,-0.0 -1,-0.2 268,-0.0 151,-0.0 0.468 105.9-121.4 -93.5 -4.2 8.0 17.3 20.1 14 11 E D < + 0 0 0 -3,-1.1 -2,-0.1 2,-0.1 3,-0.1 0.877 54.6 158.0 60.4 40.4 9.4 19.3 17.2 15 12 E D - 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0 0 59 61,-2.3 3,-1.9 -2,-0.2 4,-0.3 -0.176 38.0-130.3 -45.9 127.4 15.6 44.0 31.0 50 47 E A G > S+ 0 0 85 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.849 103.0 56.0 -68.2 -35.3 17.6 41.7 33.2 51 48 E S G 3 S+ 0 0 105 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.608 103.6 57.4 -72.4 -10.9 14.6 40.0 34.9 52 49 E E G < S+ 0 0 54 -3,-1.9 2,-0.5 2,-0.0 -1,-0.3 0.287 89.8 89.2 -94.4 5.8 13.2 39.1 31.5 53 50 E V < + 0 0 43 -3,-1.4 64,-0.1 -4,-0.3 65,-0.1 -0.927 48.4 169.7-105.6 125.4 16.4 37.1 30.5 54 51 E D - 0 0 88 -2,-0.5 64,-0.1 63,-0.2 -1,-0.1 0.517 69.9 -41.4 -92.7-123.4 16.6 33.3 31.5 55 52 E G S S+ 0 0 59 62,-0.3 -2,-0.1 2,-0.1 63,-0.0 0.111 94.6 131.3-104.9 21.3 19.4 31.2 30.1 56 53 E Q - 0 0 13 61,-0.1 2,-0.4 66,-0.1 65,-0.1 -0.248 63.2-113.0 -58.4 151.3 19.3 32.6 26.6 57 54 E T - 0 0 70 63,-0.2 2,-0.3 -26,-0.1 -13,-0.3 -0.818 36.4-144.1 -86.6 138.0 22.5 33.8 24.9 58 55 E I - 0 0 60 -2,-0.4 2,-0.5 -15,-0.1 -13,-0.3 -0.749 7.7-128.8-105.4 148.2 22.6 37.5 24.5 59 56 E Y B -o 45 0D 0 -15,-2.6 -13,-2.3 -2,-0.3 -12,-0.3 -0.802 18.8-161.2 -81.7 123.6 24.1 39.8 21.7 60 57 E T > - 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