==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 05-NOV-10 3PI0 . 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) . 13115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.8 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 . 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 . 42 12.7 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 . 16 4.8 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 2 2 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 61 0, 0.0 152,-2.4 0, 0.0 153,-0.3 0.000 360.0 360.0 360.0 164.4 22.6 -13.1 11.3 2 2 A T - 0 0 58 150,-0.2 2,-0.3 96,-0.2 170,-0.2 -0.933 360.0-157.7-142.6 166.7 19.7 -12.7 8.9 3 3 A G E -A 171 0A 2 168,-1.9 168,-3.1 -2,-0.3 2,-0.3 -0.975 3.3-170.5-143.2 156.6 16.0 -13.3 8.8 4 4 A S E +A 170 0A 64 93,-1.9 2,-0.4 -2,-0.3 166,-0.2 -0.934 11.3 172.1-149.0 119.6 13.5 -13.8 6.0 5 5 A A E -A 169 0A 9 164,-2.4 164,-2.7 -2,-0.3 2,-0.3 -0.987 29.9-121.6-133.9 140.7 9.7 -13.8 6.4 6 6 A T E -A 168 0A 78 -2,-0.4 2,-0.4 162,-0.2 162,-0.3 -0.616 21.9-152.7 -77.9 139.7 6.8 -13.9 3.9 7 7 A T E -A 167 0A 0 160,-2.2 160,-2.9 -2,-0.3 12,-0.2 -0.938 11.3-161.8-116.9 137.9 4.3 -11.1 4.1 8 8 A T E -F 18 0B 61 10,-2.5 10,-2.6 -2,-0.4 153,-0.0 -0.966 22.3-112.8-127.0 130.2 0.7 -11.7 2.9 9 9 A P E -F 17 0B 22 0, 0.0 8,-0.3 0, 0.0 3,-0.0 -0.299 20.1-140.4 -60.9 144.1 -2.0 -9.3 1.9 10 10 A I S S+ 0 0 32 6,-2.5 2,-0.3 1,-0.0 7,-0.1 0.677 77.9 3.1 -80.9 -15.0 -4.9 -9.3 4.3 11 11 A D S > S- 0 0 60 5,-0.4 3,-1.5 110,-0.0 5,-0.1 -0.910 89.2 -81.7-159.9 177.5 -7.6 -9.1 1.6 12 12 A S T 3 S+ 0 0 103 1,-0.3 -2,-0.0 -2,-0.3 0, 0.0 0.526 122.8 54.0 -71.3 -7.9 -8.1 -9.0 -2.1 13 13 A L T 3 S- 0 0 55 267,-0.1 -1,-0.3 3,-0.1 268,-0.0 0.354 107.4-119.0-103.7 -2.1 -7.3 -5.3 -2.3 14 14 A D < + 0 0 0 -3,-1.5 -2,-0.1 2,-0.1 3,-0.1 0.919 52.6 162.9 63.1 43.2 -3.9 -5.4 -0.6 15 15 A D - 0 0 51 1,-0.2 2,-0.3 292,-0.0 292,-0.1 0.847 68.2 -22.0 -67.4 -26.2 -5.3 -3.1 2.1 16 16 A A - 0 0 11 -5,-0.1 -6,-2.5 207,-0.1 -5,-0.4 -0.946 67.0-119.1-169.0 171.2 -2.4 -4.2 4.4 17 17 A Y E -F 9 0B 3 -2,-0.3 2,-0.4 -8,-0.3 17,-0.4 -0.971 17.0-152.9-127.9 139.9 0.1 -7.0 4.7 18 18 A I E -F 8 0B 23 -10,-2.6 -10,-2.5 -2,-0.4 15,-0.2 -0.924 6.5-169.2-117.8 141.3 0.7 -9.4 7.7 19 19 A T E -G 32 0C 0 13,-2.5 13,-2.5 -2,-0.4 2,-0.2 -0.993 28.0-114.7-127.0 130.4 3.9 -11.2 8.6 20 20 A P E -G 31 0C 49 0, 0.0 77,-0.4 0, 0.0 2,-0.4 -0.459 33.4-171.9 -72.3 138.3 4.1 -14.0 11.2 21 21 A V E -G 30 0C 0 9,-2.6 9,-2.6 -2,-0.2 2,-0.6 -0.999 17.8-139.1-133.2 130.8 6.1 -13.1 14.3 22 22 A Q E -GH 29 95C 62 73,-2.6 73,-2.9 -2,-0.4 2,-0.4 -0.838 24.8-178.1 -93.7 121.8 7.2 -15.5 17.1 23 23 A I E > -GH 28 94C 0 5,-2.6 5,-2.0 -2,-0.6 71,-0.2 -0.986 41.0 -10.1-123.0 128.2 6.9 -14.0 20.5 24 24 A G T 5S- 0 0 8 69,-3.2 4,-0.1 -2,-0.4 40,-0.1 -0.072 88.3 -41.6 88.7 178.7 7.8 -15.6 23.8 25 25 A T T 5S+ 0 0 55 2,-0.1 40,-2.9 1,-0.1 41,-0.3 -0.979 131.2 27.0-132.5 113.7 8.8 -19.1 25.1 26 26 A P T 5S- 0 0 96 0, 0.0 -1,-0.1 0, 0.0 40,-0.1 0.678 121.7-100.5 -64.6 161.3 7.2 -21.3 23.9 27 27 A A T 5 - 0 0 62 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.221 31.0-161.0 -62.1 141.9 6.6 -19.3 20.8 28 28 A Q E < -G 23 0C 32 -5,-2.0 -5,-2.6 -4,-0.1 2,-0.6 -0.995 17.1-146.3-114.0 113.2 3.3 -17.5 20.3 29 29 A T E +G 22 0C 69 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.805 21.9 175.2 -93.1 122.2 2.8 -16.7 16.7 30 30 A L E -G 21 0C 0 -9,-2.6 -9,-2.6 -2,-0.6 2,-0.8 -0.919 31.4-126.0-121.5 147.1 1.0 -13.5 15.8 31 31 A N E -G 20 0C 58 -2,-0.3 92,-2.7 -11,-0.2 93,-0.5 -0.833 37.8-171.8 -94.0 108.8 0.4 -11.9 12.4 32 32 A L E -G 19 0C 0 -13,-2.5 -13,-2.5 -2,-0.8 2,-0.8 -0.724 28.6-121.7-111.2 153.5 1.7 -8.4 12.6 33 33 A D E -i 125 0C 18 91,-2.6 93,-2.0 -2,-0.3 2,-0.4 -0.828 28.0-141.5 -90.4 102.8 1.5 -5.4 10.3 34 34 A F E -i 126 0C 1 -2,-0.8 2,-0.5 -17,-0.4 93,-0.2 -0.604 24.3-169.9 -71.5 119.2 5.2 -4.4 9.6 35 35 A D E > -i 127 0C 9 91,-2.6 93,-2.9 -2,-0.4 3,-1.4 -0.915 27.0-177.0-124.4 99.5 5.0 -0.6 9.5 36 36 A T T 3 S+ 0 0 1 -2,-0.5 159,-0.5 1,-0.3 94,-0.2 0.462 86.6 66.4 -76.3 4.9 8.0 1.6 8.4 37 37 A G T 3 S+ 0 0 12 92,-0.1 2,-0.3 157,-0.1 -1,-0.3 0.338 105.1 36.2-102.9 3.7 5.9 4.6 9.3 38 38 A S < - 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0 0 60 61,-2.7 3,-2.7 -2,-0.2 4,-0.3 -0.098 38.9-129.2 -32.6 116.1 -10.4 -5.1 26.9 50 50 A A G > S+ 0 0 87 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.860 104.8 55.0 -55.5 -41.3 -12.5 -8.2 26.1 51 51 A S G 3 S+ 0 0 104 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.557 103.3 59.9 -69.2 -2.9 -15.1 -6.4 24.1 52 52 A E G < S+ 0 0 52 -3,-2.7 2,-0.5 -4,-0.1 -1,-0.2 0.378 89.9 80.8-105.8 1.7 -12.3 -5.0 21.9 53 53 A V < + 0 0 41 -3,-1.6 2,-0.2 -4,-0.3 64,-0.1 -0.949 48.0 162.8-108.4 124.7 -11.1 -8.3 20.7 54 54 A D S S- 0 0 110 -2,-0.5 -3,-0.0 63,-0.2 -4,-0.0 -0.622 74.7 -28.2-142.9 82.0 -12.9 -10.1 17.9 55 55 A G S S+ 0 0 61 1,-0.3 68,-0.0 -2,-0.2 63,-0.0 0.216 94.4 131.6 103.1 -16.1 -11.0 -12.9 16.1 56 56 A Q - 0 0 14 61,-0.1 2,-0.4 66,-0.1 -1,-0.3 -0.347 61.1-116.1 -69.5 152.9 -7.4 -11.7 16.7 57 57 A T - 0 0 69 63,-0.2 2,-0.3 -26,-0.1 -13,-0.3 -0.774 37.8-146.6 -82.8 133.5 -4.7 -14.0 18.0 58 58 A I - 0 0 58 -2,-0.4 2,-0.5 -15,-0.1 -13,-0.3 -0.781 9.8-128.8-108.0 149.3 -3.5 -12.7 21.4 59 59 A Y B -o 45 0D 0 -15,-2.7 -13,-2.3 -2,-0.3 -12,-0.3 -0.824 19.1-165.1 -84.5 129.2 -0.2 -12.6 23.2 60 60 A T > - 0 0 39 -2,-0.5 3,-1.9 -15,-0.2 4,-0.3 -0.900 4.5-171.5-117.5 95.8 -0.4 -14.0 26.7 61 61 A P G > S+ 0 0 11 0, 0.0 3,-1.4 0, 0.0 6,-0.3 0.810 82.6 65.2 -64.4 -24.9 2.7 -13.0 28.6 62 62 A S G 3 S+ 0 0 115 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.703 98.8 55.6 -69.4 -17.4 1.9 -15.2 31.6 63 63 A K G < S+ 0 0 54 -3,-1.9 2,-0.6 1,-0.0 -1,-0.3 0.456 94.4 83.1 -89.2 -3.4 2.3 -18.2 29.2 64 64 A S X - 0 0 8 -3,-1.4 3,-1.1 -4,-0.3 -40,-0.1 -0.889 63.2-158.2-109.0 122.1 5.8 -17.2 28.3 65 65 A T T 3 S+ 0 0 121 -40,-2.9 -1,-0.1 -2,-0.6 -3,-0.0 0.639 95.1 49.5 -72.9 -10.5 8.7 -18.1 30.5 66 66 A T T 3 S+ 0 0 57 -41,-0.3 -1,-0.2 -40,-0.1 2,-0.2 0.363 84.3 109.5-109.2 -2.8 10.9 -15.3 29.0 67 67 A A < - 0 0 27 -3,-1.1 2,-0.4 -6,-0.3 25,-0.2 -0.518 43.1-179.8 -72.3 138.8 8.3 -12.5 29.4 68 68 A K E -L 91 0C 51 23,-1.9 23,-2.6 -2,-0.2 2,-0.1 -0.986 31.3-115.7-138.4 128.0 9.1 -9.9 32.1 69 69 A L E -L 90 0C 100 -2,-0.4 2,-1.1 21,-0.2 21,-0.3 -0.461 21.6-135.4 -57.9 132.0 6.9 -6.9 32.9 70 70 A L E > - 0 0 47 19,-2.8 3,-2.1 -2,-0.1 19,-0.4 -0.788 37.1-126.1 -90.7 97.5 8.8 -3.6 32.1 71 71 A S E 3 S+ 0 0 108 -2,-1.1 3,-0.1 1,-0.3 19,-0.0 -0.212 78.1 0.1 -62.6 130.5 7.8 -2.0 35.3 72 72 A G E 3 S+ 0 0 61 1,-0.3 2,-0.3 17,-0.1 -1,-0.3 0.334 94.9 132.8 84.2 -8.1 6.1 1.3 35.1 73 73 A A E < + 0 0 7 -3,-2.1 16,-0.7 16,-0.2 2,-0.3 -0.563 26.3 170.3 -85.0 138.7 6.2 1.5 31.3 74 74 A T E -LM 88 137C 76 63,-2.6 63,-2.7 -2,-0.3 2,-0.3 -0.909 12.8-158.1-134.9 169.6 3.1 2.5 29.3 75 75 A W E -L 87 0C 6 12,-1.9 12,-2.1 -2,-0.3 2,-0.3 -0.979 9.1-178.6-150.2 153.1 2.5 3.4 25.7 76 76 A S E +L 86 0C 82 -2,-0.3 2,-0.3 59,-0.3 10,-0.2 -0.903 10.9 175.3-157.0 122.3 -0.1 5.3 23.7 77 77 A I E -L 85 0C 18 8,-3.0 8,-2.1 -2,-0.3 2,-0.4 -0.965 13.8-170.0-136.0 150.2 -0.2 5.7 19.9 78 78 A S E -L 84 0C 91 -2,-0.3 6,-0.3 6,-0.2 2,-0.2 -0.995 17.6-146.4-137.1 138.2 -2.5 7.2 17.3 79 79 A Y > - 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