==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-APR-08 2JJJ . COMPND 2 MOLECULE: ENDOTHIAPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPHONECTRIA PARASITICA; . AUTHOR L.COATES,H.-F.TUAN,S.J.TOMANICEK,A.KOVALEVSKY,M.MUSTYAKIMOV, . 329 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12954.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 69.6 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 . 104 31.6 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 . 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 12.8 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 . 18 5.5 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 . 3 3 5 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 1 A S 0 0 59 0, 0.0 151,-2.4 0, 0.0 152,-0.3 0.000 360.0 360.0 360.0 165.8 27.9 -65.9 -2.3 2 2 A T - 0 0 57 149,-0.2 2,-0.3 95,-0.1 169,-0.2 -0.942 360.0-155.3-141.7 166.3 25.8 -68.5 -0.4 3 3 A G E -A 170 0A 1 167,-1.9 167,-2.9 -2,-0.3 2,-0.3 -0.983 4.4-171.2-139.2 155.0 25.1 -69.4 3.1 4 4 A S E +A 169 0A 65 92,-2.1 2,-0.4 -2,-0.3 165,-0.2 -0.940 11.8 175.5-148.1 119.1 23.9 -72.7 4.7 5 5 A A E -A 168 0A 8 163,-2.7 163,-2.6 -2,-0.3 2,-0.4 -0.954 28.6-121.1-128.7 146.9 22.9 -73.0 8.4 6 6 A T E -A 167 0A 78 -2,-0.4 2,-0.4 161,-0.2 161,-0.3 -0.689 22.8-158.6 -87.8 135.0 21.5 -75.8 10.5 7 7 A T E -A 166 0A 0 159,-1.9 159,-2.6 -2,-0.4 154,-0.2 -0.941 10.0-167.1-115.5 136.2 18.1 -75.2 12.2 8 8 A T E -F 18 0B 60 10,-2.5 10,-2.6 -2,-0.4 2,-0.0 -0.961 25.8-109.4-130.0 136.9 17.1 -77.2 15.2 9 9 A P E -F 17 0B 24 0, 0.0 8,-0.3 0, 0.0 3,-0.0 -0.365 22.6-140.5 -61.1 142.8 13.8 -77.8 17.1 10 10 A I S S+ 0 0 29 6,-2.7 2,-0.3 -2,-0.0 7,-0.1 0.683 76.4 2.4 -77.8 -16.7 13.8 -76.1 20.4 11 11 A D S > S- 0 0 61 5,-0.4 3,-1.3 0, 0.0 5,-0.1 -0.882 89.3 -79.8-158.6 179.2 11.9 -78.9 22.2 12 12 A S T 3 S+ 0 0 99 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.594 121.7 56.5 -70.3 -12.4 10.4 -82.4 21.8 13 13 A L T 3 S- 0 0 45 267,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.386 105.4-120.3 -97.6 -0.6 7.3 -80.9 20.2 14 14 A D < + 0 0 0 -3,-1.3 -2,-0.1 2,-0.1 3,-0.1 0.903 54.9 159.7 56.8 41.7 8.9 -79.0 17.3 15 15 A D - 0 0 19 1,-0.2 2,-0.3 291,-0.0 291,-0.1 0.876 65.9 -17.9 -61.8 -37.4 7.3 -75.9 18.8 16 16 A A - 0 0 2 -5,-0.1 -6,-2.7 206,-0.1 -5,-0.4 -0.959 65.1-123.3-160.2 169.0 9.8 -73.7 17.0 17 17 A Y E -F 9 0B 3 -2,-0.3 17,-0.4 -8,-0.3 2,-0.4 -0.959 18.2-155.1-125.1 138.4 13.2 -73.9 15.3 18 18 A I E -F 8 0B 24 -10,-2.6 -10,-2.5 -2,-0.4 15,-0.2 -0.892 6.7-170.7-117.2 149.6 16.4 -71.9 16.1 19 19 A T E -G 32 0C 0 13,-2.2 13,-2.5 -2,-0.4 -12,-0.2 -0.998 29.3-109.9-136.6 134.7 19.3 -71.1 13.8 20 20 A P E -G 31 0C 43 0, 0.0 76,-0.4 0, 0.0 2,-0.4 -0.427 33.0-172.6 -70.1 144.9 22.6 -69.5 14.8 21 21 A V E -G 30 0C 0 9,-2.6 9,-2.6 74,-0.1 2,-0.6 -1.000 15.7-143.1-138.2 130.0 23.3 -66.0 13.7 22 22 A Q E -GH 29 94C 56 72,-2.8 72,-2.7 -2,-0.4 2,-0.4 -0.859 21.8-174.8 -97.3 124.4 26.6 -64.1 14.0 23 23 A I E > -GH 28 93C 0 5,-2.5 5,-2.3 -2,-0.6 70,-0.2 -0.970 40.5 -10.4-123.4 129.1 26.2 -60.4 14.9 24 24 A G T 5S- 0 0 7 68,-3.1 39,-0.1 -2,-0.4 67,-0.1 -0.154 89.6 -38.5 89.4-178.6 28.9 -57.8 15.1 25 25 A T T 5S+ 0 0 53 1,-0.2 39,-2.6 2,-0.1 40,-0.3 -0.974 132.5 26.6-133.2 116.8 32.7 -57.7 15.2 26 26 A P T 5S- 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.643 120.5-102.4 -62.9 160.4 34.0 -59.9 16.8 27 27 A A T 5 - 0 0 62 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.337 29.0-157.8 -59.4 136.2 30.9 -62.1 16.1 28 28 A Q E < -G 23 0C 34 -5,-2.3 -5,-2.5 -2,-0.1 2,-0.6 -0.967 17.3-143.4-109.8 117.6 28.4 -62.6 18.9 29 29 A T E +G 22 0C 71 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.768 25.3 172.0 -92.8 119.3 26.4 -65.8 18.1 30 30 A L E -G 21 0C 0 -9,-2.6 -9,-2.6 -2,-0.6 2,-0.7 -0.924 32.6-125.8-118.8 149.2 22.7 -65.8 19.0 31 31 A N E -G 20 0C 58 -2,-0.3 91,-2.8 -11,-0.2 92,-0.4 -0.875 36.8-174.1 -98.2 113.6 20.1 -68.5 18.2 32 32 A L E -G 19 0C 0 -13,-2.5 -13,-2.2 -2,-0.7 2,-0.8 -0.755 29.0-119.8-111.0 152.8 17.3 -66.8 16.4 33 33 A D E -i 124 0C 10 90,-2.3 92,-2.4 -2,-0.3 2,-0.5 -0.824 28.1-140.2 -89.2 110.6 13.8 -68.0 15.2 34 34 A F E -i 125 0C 1 -2,-0.8 2,-0.6 -17,-0.4 92,-0.2 -0.660 25.2-171.1 -76.6 120.0 13.8 -67.5 11.4 35 35 A D E > -i 126 0C 12 90,-2.5 92,-2.6 -2,-0.5 3,-1.5 -0.898 27.2-174.3-128.3 101.6 10.3 -66.3 10.7 36 36 A T T 3 S+ 0 0 0 -2,-0.6 158,-0.6 1,-0.3 93,-0.2 0.457 86.2 67.4 -74.3 2.6 8.9 -65.9 7.2 37 37 A G T 3 S+ 0 0 13 91,-0.1 2,-0.3 156,-0.1 -1,-0.3 0.316 104.5 36.0 -98.8 3.5 5.7 -64.3 8.8 38 38 A S < - 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0 0 59 60,-2.4 3,-2.1 -2,-0.2 4,-0.4 -0.189 37.1-130.6 -47.2 125.8 15.4 -54.6 31.0 50 50 A A G > S+ 0 0 85 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.872 103.6 56.8 -61.0 -38.0 17.4 -57.0 33.3 51 51 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.679 104.8 55.4 -66.3 -15.0 14.4 -58.5 35.0 52 52 A E G < 0 0 54 -3,-2.1 -1,-0.3 -4,-0.0 -2,-0.2 0.425 360.0 360.0 -96.5 -2.0 13.0 -59.5 31.5 53 53 A V < 0 0 65 -3,-1.7 63,-0.1 -4,-0.4 66,-0.0 -0.888 360.0 360.0-100.9 360.0 16.2 -61.4 30.5 54 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 55 56 A Q 0 0 53 0, 0.0 2,-0.4 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 158.0 18.9 -66.0 26.7 56 57 A T - 0 0 72 63,-0.2 2,-0.3 -25,-0.1 -12,-0.3 -0.759 360.0-146.6 -88.2 136.2 22.2 -65.0 25.0 57 58 A I - 0 0 61 -2,-0.4 2,-0.5 -14,-0.1 -12,-0.3 -0.784 9.6-128.9-110.3 151.2 22.3 -61.2 24.5 58 59 A Y B -o 45 0D 0 -14,-2.5 -12,-2.2 -2,-0.3 -11,-0.3 -0.831 17.4-161.3 -90.7 131.0 23.8 -58.9 21.9 59 60 A T > - 0 0 24 -2,-0.5 3,-1.9 -14,-0.2 4,-0.3 -0.914 2.9-167.3-113.0 100.8 26.0 -56.1 23.3 60 61 A P G > S+ 0 0 5 0, 0.0 3,-1.9 0, 0.0 6,-0.3 0.855 85.1 62.0 -59.5 -33.9 26.3 -53.4 20.6 61 62 A S G 3 S+ 0 0 109 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.584 99.2 57.3 -73.6 -5.0 29.1 -51.6 22.5 62 63 A K G < S+ 0 0 150 -3,-1.9 2,-0.6 -36,-0.0 -1,-0.3 0.429 92.6 83.2 -94.7 -1.7 31.3 -54.8 22.2 63 64 A S X - 0 0 10 -3,-1.9 3,-1.0 -4,-0.3 -39,-0.1 -0.902 62.5-160.3-107.2 121.0 31.0 -54.7 18.4 64 65 A T T 3 S+ 0 0 117 -39,-2.6 -1,-0.1 -2,-0.6 -3,-0.0 0.713 93.8 51.8 -70.2 -18.6 33.4 -52.4 16.5 65 66 A T T 3 S+ 0 0 50 -40,-0.3 -1,-0.2 27,-0.1 2,-0.2 0.457 82.4 113.3 -96.5 -6.5 31.0 -52.4 13.5 66 67 A A < - 0 0 26 -3,-1.0 2,-0.4 -6,-0.3 25,-0.2 -0.472 42.1-176.4 -72.6 135.9 27.8 -51.4 15.3 67 68 A K E -L 90 0C 142 23,-2.3 23,-2.5 -2,-0.2 2,-0.3 -0.997 27.1-122.7-128.3 133.6 26.4 -48.0 14.5 68 69 A L E -L 89 0C 100 -2,-0.4 2,-1.0 21,-0.2 21,-0.3 -0.557 20.1-135.1 -70.3 130.7 23.3 -46.4 16.2 69 70 A L E > - 0 0 53 19,-2.9 3,-1.9 -2,-0.3 19,-0.4 -0.770 34.3-126.3 -85.5 100.0 20.7 -45.6 13.6 70 71 A S E 3 S+ 0 0 112 -2,-1.0 3,-0.1 1,-0.3 19,-0.0 -0.283 81.1 2.4 -61.2 134.3 19.9 -42.2 15.0 71 72 A G E 3 S+ 0 0 64 1,-0.2 2,-0.4 66,-0.0 -1,-0.3 0.400 96.7 131.7 79.7 -2.9 16.3 -41.5 15.7 72 73 A A E < + 0 0 8 -3,-1.9 16,-0.7 16,-0.2 2,-0.3 -0.702 26.3 168.8 -93.8 137.5 15.1 -45.0 14.8 73 74 A T E -LM 87 136C 80 63,-2.6 63,-2.8 -2,-0.4 2,-0.3 -0.894 12.9-159.3-136.1 165.4 12.8 -47.0 17.0 74 75 A W E +L 86 0C 7 12,-1.9 12,-2.0 -2,-0.3 2,-0.3 -0.977 10.7 177.7-146.2 156.2 10.8 -50.2 16.6 75 76 A S E +L 85 0C 85 -2,-0.3 2,-0.4 59,-0.3 10,-0.2 -0.883 12.3 177.3-159.9 127.3 7.8 -52.0 18.3 76 77 A I E -L 84 0C 14 8,-2.5 8,-1.8 -2,-0.3 2,-0.3 -0.962 12.6-169.4-137.0 148.8 6.3 -55.3 17.2 77 78 A S E -L 83 0C 92 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.980 16.2-144.0-134.3 152.0 3.5 -57.6 18.3 78 79 A Y > - 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