==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAY-07 2V00 . COMPND 2 MOLECULE: ENDOTHIAPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPHONECTRIA PARASITICA; . AUTHOR S.GESCHWINDNER,L.L.OLSSON,J.DEINUM,J.S.ALBERT,P.D.EDWARDS, . 330 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 70.3 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 . 46 13.9 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 . 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 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 62 0, 0.0 152,-2.2 0, 0.0 153,-0.3 0.000 360.0 360.0 360.0 163.4 22.6 -12.3 11.3 2 2 A T - 0 0 58 150,-0.2 2,-0.3 96,-0.2 170,-0.2 -0.943 360.0-159.8-143.1 167.3 19.7 -11.8 8.9 3 3 A G E -A 171 0A 2 168,-2.1 168,-3.1 -2,-0.3 2,-0.3 -0.986 4.1-173.1-146.2 153.0 16.0 -12.4 8.8 4 4 A S E +A 170 0A 59 93,-2.3 2,-0.4 -2,-0.3 166,-0.2 -0.962 8.6 171.1-148.5 130.1 13.4 -12.8 6.0 5 5 A A E -A 169 0A 10 164,-2.5 164,-2.8 -2,-0.3 2,-0.3 -0.996 31.3-117.3-140.8 147.9 9.6 -12.9 6.2 6 6 A T E -A 168 0A 75 -2,-0.4 2,-0.4 162,-0.2 162,-0.3 -0.632 23.8-153.5 -83.8 138.5 6.8 -12.9 3.8 7 7 A T E -A 167 0A 0 160,-1.8 160,-2.7 -2,-0.3 155,-0.2 -0.928 10.9-162.3-114.6 138.3 4.3 -10.0 3.9 8 8 A T E -F 18 0B 62 10,-2.5 10,-2.8 -2,-0.4 2,-0.0 -0.961 23.4-112.4-128.3 131.8 0.7 -10.5 2.7 9 9 A P E -F 17 0B 21 0, 0.0 8,-0.3 0, 0.0 3,-0.0 -0.386 23.2-138.1 -59.9 141.7 -2.0 -8.1 1.7 10 10 A I S S+ 0 0 32 6,-2.5 2,-0.3 -2,-0.0 7,-0.1 0.668 78.5 1.9 -76.2 -15.7 -4.9 -8.2 4.2 11 11 A D S > S- 0 0 61 5,-0.4 3,-1.5 110,-0.0 5,-0.1 -0.899 90.5 -78.5-158.8-176.6 -7.5 -8.0 1.4 12 12 A S T 3 S+ 0 0 101 1,-0.3 -2,-0.0 -2,-0.3 0, 0.0 0.608 123.1 52.6 -74.0 -8.8 -8.1 -7.9 -2.3 13 13 A L T 3 S- 0 0 55 267,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.369 108.0-117.1-105.8 2.5 -7.3 -4.2 -2.5 14 14 A D < + 0 0 1 -3,-1.5 -2,-0.1 2,-0.1 3,-0.1 0.912 53.8 162.7 59.0 42.5 -3.9 -4.3 -0.7 15 15 A D - 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0 0 63 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.261 31.6-162.4 -59.6 137.8 6.4 -18.5 20.6 28 28 A Q E < -G 23 0C 32 -5,-1.9 -5,-2.7 -4,-0.1 2,-0.6 -0.996 17.9-146.1-115.2 119.2 3.0 -16.8 20.1 29 29 A T E +G 22 0C 66 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.791 21.7 176.1 -96.8 122.7 2.7 -15.8 16.5 30 30 A L E -G 21 0C 0 -9,-2.6 -9,-2.6 -2,-0.6 2,-0.8 -0.919 31.1-125.4-121.5 148.1 0.9 -12.6 15.6 31 31 A N E -G 20 0C 58 -2,-0.3 92,-2.8 -11,-0.2 93,-0.5 -0.862 37.7-171.5 -97.8 109.4 0.4 -11.0 12.2 32 32 A L E -G 19 0C 0 -13,-2.5 -13,-2.3 -2,-0.8 2,-0.8 -0.733 28.1-121.0-108.2 153.0 1.7 -7.5 12.5 33 33 A D E -i 125 0C 18 91,-2.5 93,-2.3 -2,-0.3 2,-0.5 -0.820 27.8-140.4 -90.7 103.9 1.6 -4.5 10.2 34 34 A F E -i 126 0C 1 -2,-0.8 2,-0.6 -17,-0.4 93,-0.2 -0.615 25.1-169.4 -70.2 117.4 5.2 -3.5 9.5 35 35 A D E > -i 127 0C 10 91,-2.6 93,-3.0 -2,-0.5 3,-1.5 -0.887 27.0-177.2-124.5 100.6 5.0 0.3 9.6 36 36 A T T 3 S+ 0 0 1 -2,-0.6 159,-0.5 1,-0.3 94,-0.2 0.462 86.6 64.5 -75.0 1.0 8.0 2.5 8.5 37 37 A G T 3 S+ 0 0 14 92,-0.1 2,-0.3 157,-0.1 -1,-0.3 0.235 105.4 38.0-104.8 10.1 5.9 5.5 9.5 38 38 A S < - 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0 0 63 61,-2.3 3,-2.2 -2,-0.2 4,-0.3 -0.196 37.9-128.7 -42.5 124.3 -10.8 -4.6 26.6 50 50 A A G > S+ 0 0 88 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.831 106.0 53.3 -53.0 -42.8 -12.9 -7.7 25.7 51 51 A S G 3 S+ 0 0 101 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.573 104.2 59.2 -69.3 -9.8 -15.5 -5.7 23.7 52 52 A E G < S+ 0 0 49 -3,-2.2 2,-0.5 -4,-0.0 -1,-0.3 0.391 89.9 82.2-102.0 1.1 -12.6 -4.3 21.6 53 53 A V < + 0 0 46 -3,-1.4 2,-0.1 -4,-0.3 64,-0.1 -0.941 48.0 163.6-107.7 125.9 -11.3 -7.7 20.5 54 54 A D S S- 0 0 109 -2,-0.5 -3,-0.0 63,-0.2 -4,-0.0 -0.573 74.9 -34.8-146.4 72.3 -13.1 -9.2 17.5 55 55 A G S S+ 0 0 61 1,-0.3 2,-0.1 -2,-0.1 -2,-0.1 0.297 94.3 131.5 101.3 -7.2 -11.2 -12.1 15.9 56 56 A Q - 0 0 13 61,-0.1 2,-0.4 66,-0.1 -1,-0.3 -0.402 62.1-111.9 -69.7 153.0 -7.6 -10.8 16.3 57 57 A T - 0 0 67 63,-0.2 2,-0.3 -26,-0.1 -13,-0.3 -0.739 38.4-145.3 -82.1 134.6 -4.9 -13.1 17.7 58 58 A I - 0 0 62 -2,-0.4 2,-0.5 -15,-0.1 -13,-0.3 -0.771 9.4-131.2-109.8 146.6 -3.8 -11.9 21.2 59 59 A Y B -o 45 0D 0 -15,-2.2 -13,-2.2 -2,-0.3 -12,-0.3 -0.846 18.2-162.1 -86.8 126.9 -0.5 -11.9 23.0 60 60 A T > - 0 0 32 -2,-0.5 3,-1.8 -15,-0.2 4,-0.2 -0.867 5.0-171.8-112.2 97.2 -0.8 -13.3 26.5 61 61 A P G > S+ 0 0 6 0, 0.0 3,-2.0 0, 0.0 6,-0.3 0.833 81.2 65.2 -60.4 -32.0 2.2 -12.2 28.5 62 62 A S G 3 S+ 0 0 111 1,-0.3 -2,-0.0 3,-0.0 5,-0.0 0.736 100.5 53.8 -62.5 -20.0 1.4 -14.4 31.5 63 63 A K G < S+ 0 0 158 -3,-1.8 2,-0.6 -37,-0.0 -1,-0.3 0.399 91.8 86.9 -94.3 -1.3 2.0 -17.5 29.2 64 64 A S X - 0 0 7 -3,-2.0 3,-1.1 -4,-0.2 -40,-0.1 -0.911 61.9-159.9-105.3 118.3 5.5 -16.3 28.1 65 65 A T T 3 S+ 0 0 121 -40,-2.7 -1,-0.1 -2,-0.6 -3,-0.0 0.631 94.5 49.2 -70.1 -13.4 8.3 -17.4 30.4 66 66 A T T 3 S+ 0 0 47 -41,-0.3 -1,-0.2 -40,-0.1 2,-0.2 0.437 85.7 109.9-104.9 -5.5 10.5 -14.6 29.0 67 67 A A < - 0 0 22 -3,-1.1 2,-0.4 -6,-0.3 25,-0.2 -0.526 43.6-176.9 -72.1 137.6 8.0 -11.8 29.4 68 68 A K E -L 91 0C 147 23,-1.8 23,-2.4 -2,-0.2 2,-0.2 -0.987 28.4-120.9-136.3 126.0 8.7 -9.2 32.1 69 69 A L E -L 90 0C 103 -2,-0.4 2,-0.9 21,-0.2 21,-0.3 -0.458 25.0-130.4 -62.5 132.6 6.4 -6.3 32.9 70 70 A L E > - 0 0 49 19,-3.0 3,-2.0 -2,-0.2 19,-0.4 -0.798 33.8-118.7 -88.4 105.8 8.2 -3.0 32.4 71 71 A S E 3 S- 0 0 116 -2,-0.9 3,-0.1 1,-0.3 -1,-0.0 -0.220 83.8 -6.7 -57.5 124.6 7.5 -1.2 35.7 72 72 A G E 3 S+ 0 0 62 1,-0.2 2,-0.4 17,-0.1 -1,-0.3 0.376 97.2 134.8 79.6 -2.9 5.6 2.0 35.4 73 73 A A E < + 0 0 6 -3,-2.0 16,-0.8 16,-0.2 2,-0.3 -0.639 23.2 165.3 -91.1 133.9 5.7 2.1 31.6 74 74 A T E -LM 88 137C 77 63,-2.6 63,-2.9 -2,-0.4 2,-0.3 -0.893 16.1-155.1-134.8 167.9 2.7 3.0 29.5 75 75 A W E -L 87 0C 6 12,-1.9 12,-2.1 -2,-0.3 2,-0.3 -0.978 10.3-179.8-145.6 155.3 2.1 3.9 25.9 76 76 A S E -L 86 0C 83 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.903 10.4-176.9-158.5 123.0 -0.5 5.8 23.9 77 77 A I E -L 85 0C 17 8,-2.7 8,-1.8 -2,-0.3 2,-0.4 -0.953 13.9-167.1-130.1 146.6 -0.4 6.4 20.1 78 78 A S E -L 84 0C 95 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.994 21.3-145.6-130.0 122.9 -2.6 8.3 17.7 79 79 A Y > - 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