==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 30-JUL-11 3T7P . COMPND 2 MOLECULE: ENDOTHIAPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPHONECTRIA PARASITICA; . AUTHOR H.KOESTER,A.HEINE,G.KLEBE . 330 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 31.2 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 . 48 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 5.2 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 1 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 3 4 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 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 1 A S 0 0 60 0, 0.0 152,-2.2 0, 0.0 153,-0.3 0.000 360.0 360.0 360.0 164.0 22.7 -13.2 11.4 2 2 A T - 0 0 59 150,-0.2 2,-0.3 96,-0.1 170,-0.2 -0.938 360.0-157.4-143.4 168.1 19.8 -12.8 9.0 3 3 A G E -A 171 0A 2 168,-2.0 168,-3.0 -2,-0.3 2,-0.3 -0.983 4.3-172.2-144.3 155.0 16.0 -13.3 8.9 4 4 A S E +A 170 0A 60 93,-2.0 2,-0.4 -2,-0.3 166,-0.2 -0.936 9.7 171.7-150.2 123.8 13.5 -13.8 6.1 5 5 A A E -A 169 0A 7 164,-2.6 164,-2.9 -2,-0.3 2,-0.3 -0.990 30.6-119.6-136.3 144.7 9.7 -13.9 6.4 6 6 A T E -A 168 0A 77 -2,-0.4 2,-0.4 162,-0.2 162,-0.3 -0.613 23.0-153.3 -81.3 137.4 6.9 -13.9 3.9 7 7 A T E -A 167 0A 0 160,-2.1 160,-2.9 -2,-0.3 155,-0.2 -0.938 11.1-162.6-114.8 138.2 4.4 -11.1 4.1 8 8 A T E -F 18 0B 61 10,-2.5 10,-2.7 -2,-0.4 153,-0.0 -0.953 23.1-111.7-128.5 132.8 0.8 -11.6 2.9 9 9 A P E -F 17 0B 21 0, 0.0 8,-0.3 0, 0.0 3,-0.0 -0.354 21.7-139.5 -61.0 143.4 -2.0 -9.2 1.9 10 10 A I S S+ 0 0 34 6,-2.6 2,-0.3 1,-0.0 7,-0.1 0.676 78.0 1.5 -78.2 -17.0 -4.9 -9.3 4.4 11 11 A D S > S- 0 0 62 5,-0.4 3,-1.5 110,-0.0 5,-0.1 -0.902 90.1 -79.0-158.1-178.5 -7.5 -9.1 1.7 12 12 A S T 3 S+ 0 0 101 1,-0.3 -2,-0.0 -2,-0.3 0, 0.0 0.563 123.0 53.4 -72.8 -7.8 -8.1 -8.9 -2.1 13 13 A L T 3 S- 0 0 54 267,-0.1 -1,-0.3 3,-0.0 268,-0.0 0.393 106.9-118.7-103.2 -0.9 -7.3 -5.2 -2.2 14 14 A D < + 0 0 0 -3,-1.5 -2,-0.1 2,-0.1 3,-0.1 0.913 53.3 161.8 58.8 43.4 -3.9 -5.3 -0.5 15 15 A D - 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0 0 63 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.229 32.0-162.5 -59.7 137.4 6.5 -19.6 20.7 28 28 A Q E < -G 23 0C 33 -5,-1.9 -5,-2.4 -4,-0.1 2,-0.6 -0.991 16.6-147.2-114.8 117.1 3.2 -17.8 20.3 29 29 A T E +G 22 0C 67 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.786 21.3 175.4 -94.4 120.1 2.9 -16.8 16.6 30 30 A L E -G 21 0C 0 -9,-2.4 -9,-2.5 -2,-0.6 2,-0.8 -0.922 31.6-124.4-118.2 149.1 1.0 -13.6 15.9 31 31 A N E -G 20 0C 57 -2,-0.3 92,-2.8 -11,-0.2 93,-0.5 -0.838 37.3-170.3 -96.4 108.3 0.4 -12.0 12.5 32 32 A L E -G 19 0C 0 -13,-2.6 -13,-2.4 -2,-0.8 2,-0.8 -0.706 27.4-123.9-106.7 150.5 1.8 -8.5 12.7 33 33 A D E -i 125 0C 18 91,-2.6 93,-2.3 -2,-0.3 2,-0.5 -0.828 28.1-141.2 -88.6 106.7 1.6 -5.4 10.4 34 34 A F E -i 126 0C 1 -2,-0.8 2,-0.6 -17,-0.4 93,-0.2 -0.630 24.3-169.6 -73.4 119.4 5.2 -4.4 9.7 35 35 A D E > -i 127 0C 10 91,-2.6 93,-2.9 -2,-0.5 3,-1.4 -0.897 27.2-175.1-126.0 102.1 5.0 -0.6 9.7 36 36 A T T 3 S+ 0 0 1 -2,-0.6 159,-0.5 1,-0.3 94,-0.2 0.481 86.8 65.9 -74.9 1.5 8.0 1.5 8.6 37 37 A G T 3 S+ 0 0 14 92,-0.1 2,-0.3 157,-0.1 -1,-0.3 0.209 104.2 37.8-104.2 11.2 5.9 4.5 9.7 38 38 A S < - 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0 0 58 61,-2.5 3,-2.3 -2,-0.2 4,-0.3 -0.167 38.2-130.8 -39.7 121.2 -10.5 -5.4 26.9 50 50 A A G > S+ 0 0 87 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.838 103.7 54.6 -54.1 -43.2 -12.6 -8.4 26.0 51 51 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.595 103.7 58.9 -68.2 -9.8 -15.2 -6.6 24.0 52 52 A E G < S+ 0 0 50 -3,-2.3 2,-0.5 -4,-0.1 -1,-0.3 0.360 89.4 83.6-102.3 2.5 -12.4 -5.1 21.9 53 53 A V < + 0 0 44 -3,-1.7 2,-0.1 -4,-0.3 64,-0.1 -0.942 47.7 165.3-106.3 126.4 -11.1 -8.5 20.7 54 54 A D S S- 0 0 107 -2,-0.5 -3,-0.0 63,-0.2 -4,-0.0 -0.599 74.5 -34.5-143.1 74.7 -12.9 -10.0 17.7 55 55 A G S S+ 0 0 64 1,-0.3 -2,-0.1 -2,-0.1 63,-0.0 0.266 93.6 133.4 99.7 -11.0 -11.1 -12.9 16.1 56 56 A Q - 0 0 13 61,-0.1 2,-0.4 66,-0.1 -1,-0.3 -0.347 60.7-114.1 -67.6 151.7 -7.5 -11.7 16.6 57 57 A T - 0 0 69 63,-0.2 2,-0.3 -26,-0.1 -13,-0.3 -0.742 38.1-145.3 -81.8 135.3 -4.8 -14.1 18.0 58 58 A I - 0 0 62 -2,-0.4 2,-0.5 -15,-0.1 -13,-0.3 -0.780 9.3-129.6-109.3 147.7 -3.6 -12.9 21.4 59 59 A Y B -o 45 0D 0 -15,-2.3 -13,-2.1 -2,-0.3 -12,-0.3 -0.814 18.6-163.1 -86.1 130.0 -0.3 -12.9 23.2 60 60 A T > - 0 0 38 -2,-0.5 3,-1.8 -15,-0.2 4,-0.2 -0.883 5.2-171.9-116.4 96.3 -0.6 -14.3 26.7 61 61 A P G > S+ 0 0 7 0, 0.0 3,-2.0 0, 0.0 6,-0.3 0.827 81.3 66.6 -62.2 -28.3 2.6 -13.3 28.6 62 62 A S G 3 S+ 0 0 115 1,-0.3 -2,-0.0 3,-0.0 5,-0.0 0.716 99.1 53.8 -64.4 -18.7 1.7 -15.5 31.6 63 63 A K G < S+ 0 0 57 -3,-1.8 2,-0.6 -37,-0.0 -1,-0.3 0.383 92.9 87.0 -94.6 2.1 2.2 -18.6 29.3 64 64 A S X - 0 0 9 -3,-2.0 3,-1.1 -4,-0.2 -40,-0.1 -0.916 61.1-159.8-108.3 120.9 5.7 -17.4 28.3 65 65 A T T 3 S+ 0 0 122 -40,-2.7 -1,-0.1 -2,-0.6 -3,-0.0 0.605 94.8 49.2 -73.2 -10.9 8.6 -18.5 30.5 66 66 A T T 3 S+ 0 0 56 -41,-0.3 -1,-0.2 -40,-0.1 2,-0.2 0.431 84.8 110.3-105.7 -3.5 10.8 -15.7 29.1 67 67 A A < - 0 0 27 -3,-1.1 2,-0.4 -6,-0.3 25,-0.2 -0.534 42.8-177.7 -76.0 138.1 8.2 -12.8 29.5 68 68 A K E -L 91 0C 49 23,-2.1 23,-2.4 -2,-0.2 2,-0.2 -0.995 29.0-119.6-135.8 129.1 9.0 -10.2 32.1 69 69 A L E -L 90 0C 103 -2,-0.4 2,-1.0 21,-0.2 21,-0.3 -0.486 23.3-132.3 -63.8 131.4 6.8 -7.3 33.0 70 70 A L E > - 0 0 50 19,-2.9 3,-2.0 -2,-0.2 19,-0.4 -0.802 35.7-120.2 -87.4 103.2 8.7 -4.0 32.4 71 71 A S E 3 S- 0 0 115 -2,-1.0 3,-0.1 1,-0.3 19,-0.0 -0.205 81.8 -6.2 -58.1 124.1 7.9 -2.3 35.7 72 72 A G E 3 S+ 0 0 62 1,-0.2 2,-0.3 17,-0.0 -1,-0.3 0.372 96.1 136.0 80.3 -2.6 6.0 0.9 35.5 73 73 A A E < + 0 0 7 -3,-2.0 16,-0.7 16,-0.2 2,-0.3 -0.614 24.1 168.7 -86.2 133.9 6.2 1.1 31.7 74 74 A T E -LM 88 137C 78 63,-2.7 63,-2.8 -2,-0.3 2,-0.3 -0.890 13.8-158.2-132.6 168.9 3.1 2.1 29.6 75 75 A W E +L 87 0C 5 12,-1.9 12,-2.1 -2,-0.3 2,-0.3 -0.983 10.1 178.6-147.6 155.7 2.5 3.0 26.0 76 76 A S E -L 86 0C 75 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.891 8.6-174.0-161.2 124.1 -0.1 4.9 24.0 77 77 A I E -L 85 0C 15 8,-2.7 8,-1.8 -2,-0.3 2,-0.5 -0.973 12.5-167.3-130.6 138.9 -0.1 5.6 20.3 78 78 A S E -L 84 0C 99 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.975 21.0-147.4-123.6 113.9 -2.4 7.6 18.0 79 79 A Y > - 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