==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-MAR-10 3LZY . COMPND 2 MOLECULE: ENDOTHIAPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPHONECTRIA PARASITICA; . AUTHOR J.BEHNEN,H.KRUEGER,G.KLEBE,A.HEINE . 330 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13020.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 68.5 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 . 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 . 41 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.9 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,-2.3 0, 0.0 153,-0.4 0.000 360.0 360.0 360.0 162.0 13.8 9.1 13.6 2 2 A T - 0 0 58 150,-0.2 2,-0.3 96,-0.2 170,-0.2 -0.971 360.0-156.7-142.7 164.3 16.7 9.5 16.0 3 3 A G E -A 171 0A 2 168,-2.2 168,-2.6 -2,-0.3 2,-0.3 -0.989 4.8-172.8-138.0 155.3 20.4 9.0 16.1 4 4 A S E +A 170 0A 63 93,-2.3 2,-0.4 -2,-0.3 166,-0.2 -0.925 10.7 171.1-147.0 118.9 22.9 8.4 18.9 5 5 A A E -A 169 0A 9 164,-2.8 164,-2.8 -2,-0.3 2,-0.3 -0.982 30.6-120.4-134.2 145.2 26.7 8.4 18.6 6 6 A T E -A 168 0A 76 -2,-0.4 2,-0.4 162,-0.2 162,-0.3 -0.630 23.0-153.8 -78.8 135.3 29.6 8.3 21.0 7 7 A T E -A 167 0A 0 160,-1.9 160,-2.9 -2,-0.3 12,-0.2 -0.919 11.2-162.9-113.1 136.1 32.0 11.2 20.9 8 8 A T E -F 18 0B 59 10,-2.6 10,-2.6 -2,-0.4 2,-0.0 -0.943 22.1-113.7-127.1 131.9 35.6 10.6 22.1 9 9 A P E -F 17 0B 23 0, 0.0 8,-0.3 0, 0.0 154,-0.0 -0.403 19.9-141.0 -65.6 143.7 38.4 12.9 23.1 10 10 A I S S+ 0 0 34 6,-2.3 2,-0.3 -2,-0.0 7,-0.1 0.614 77.3 4.6 -78.8 -16.9 41.3 12.9 20.6 11 11 A D S > S- 0 0 59 5,-0.4 3,-1.5 110,-0.0 5,-0.1 -0.915 89.8 -81.4-158.9 179.0 44.0 13.2 23.4 12 12 A S T 3 S+ 0 0 104 1,-0.3 -2,-0.0 -2,-0.3 0, 0.0 0.568 123.4 53.1 -71.7 -7.4 44.6 13.3 27.2 13 13 A L T 3 S- 0 0 54 267,-0.1 -1,-0.3 3,-0.0 268,-0.0 0.447 106.2-120.3-104.1 -2.3 43.7 17.0 27.3 14 14 A D < + 0 0 0 -3,-1.5 -2,-0.1 2,-0.1 3,-0.1 0.906 51.8 162.1 59.6 45.1 40.3 16.8 25.5 15 15 A D - 0 0 56 1,-0.2 2,-0.3 292,-0.0 292,-0.1 0.822 69.1 -20.0 -66.3 -25.0 41.7 19.2 22.8 16 16 A A - 0 0 11 -5,-0.1 -6,-2.3 207,-0.1 -5,-0.4 -0.957 67.0-119.6-168.8 170.5 38.8 18.1 20.6 17 17 A Y E -F 9 0B 3 -2,-0.3 2,-0.4 -8,-0.3 17,-0.4 -0.969 16.8-152.6-127.9 140.1 36.3 15.2 20.2 18 18 A I E -F 8 0B 25 -10,-2.6 -10,-2.6 -2,-0.4 15,-0.2 -0.925 6.5-169.1-117.4 141.6 35.7 12.8 17.3 19 19 A T E -G 32 0C 0 13,-2.6 13,-2.6 -2,-0.4 2,-0.2 -0.991 27.9-114.9-126.4 130.8 32.5 11.1 16.3 20 20 A P E -G 31 0C 46 0, 0.0 77,-0.4 0, 0.0 2,-0.4 -0.485 33.1-172.8 -73.2 138.6 32.3 8.2 13.8 21 21 A V E -G 30 0C 0 9,-2.4 9,-2.8 -2,-0.2 2,-0.5 -0.999 17.6-140.2-134.2 128.2 30.4 9.1 10.7 22 22 A Q E -GH 29 95C 60 73,-2.3 73,-2.5 -2,-0.4 2,-0.4 -0.809 23.8-176.6 -90.5 120.5 29.4 6.7 7.9 23 23 A I E > -GH 28 94C 0 5,-2.5 5,-2.2 -2,-0.5 71,-0.2 -0.989 40.9 -11.7-123.7 129.6 29.7 8.2 4.4 24 24 A G T 5S- 0 0 8 69,-2.6 4,-0.1 -2,-0.4 40,-0.1 -0.106 89.3 -39.4 86.3-176.5 28.7 6.5 1.1 25 25 A T T 5S+ 0 0 57 1,-0.1 40,-2.9 2,-0.1 41,-0.3 -0.981 131.2 26.7-134.7 112.9 27.8 3.0 -0.1 26 26 A P T 5S- 0 0 96 0, 0.0 -1,-0.1 0, 0.0 40,-0.1 0.648 120.2 -99.4 -67.4 164.3 29.3 0.9 1.1 27 27 A A T 5 - 0 0 62 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.242 31.3-163.3 -59.8 136.5 30.0 2.8 4.2 28 28 A Q E < -G 23 0C 34 -5,-2.2 -5,-2.5 -4,-0.1 2,-0.6 -0.993 17.6-146.0-111.7 114.5 33.3 4.6 4.7 29 29 A T E +G 22 0C 67 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.776 21.5 176.7 -90.2 120.4 33.7 5.5 8.4 30 30 A L E -G 21 0C 0 -9,-2.8 -9,-2.4 -2,-0.6 2,-0.8 -0.913 30.4-126.0-120.5 147.8 35.5 8.7 9.1 31 31 A N E -G 20 0C 58 -2,-0.3 92,-2.8 -11,-0.2 93,-0.5 -0.864 37.7-171.0 -97.3 109.0 36.1 10.3 12.5 32 32 A L E -G 19 0C 0 -13,-2.6 -13,-2.6 -2,-0.8 2,-0.8 -0.724 27.8-123.9-110.3 153.0 34.8 13.8 12.4 33 33 A D E -i 125 0C 19 91,-2.7 93,-1.9 -2,-0.3 2,-0.4 -0.837 28.2-141.1 -91.7 105.2 34.9 16.8 14.7 34 34 A F E -i 126 0C 1 -2,-0.8 2,-0.6 -17,-0.4 93,-0.2 -0.597 23.7-170.0 -72.3 120.5 31.3 17.8 15.3 35 35 A D E > -i 127 0C 8 91,-2.7 93,-3.0 -2,-0.4 3,-1.4 -0.901 27.6-177.4-126.3 102.9 31.4 21.6 15.3 36 36 A T T 3 S+ 0 0 0 -2,-0.6 159,-0.5 1,-0.3 94,-0.2 0.420 86.2 67.2 -77.3 8.0 28.4 23.7 16.4 37 37 A G T 3 S+ 0 0 12 92,-0.1 2,-0.3 157,-0.1 -1,-0.3 0.322 104.6 36.3-105.3 5.2 30.6 26.8 15.4 38 38 A S < - 0 0 8 -3,-1.4 91,-2.8 88,-0.1 90,-0.7 -0.926 63.3-141.5-153.5 173.5 30.6 26.1 11.7 39 39 A S + 0 0 2 94,-0.3 2,-0.4 -2,-0.3 102,-0.1 0.107 62.5 96.9-136.8 24.9 28.4 24.8 8.9 40 40 A D - 0 0 0 94,-0.1 2,-0.7 -5,-0.1 87,-0.7 -0.947 53.4-151.3-116.0 136.9 30.4 22.7 6.5 41 41 A L E +J 126 0C 6 -2,-0.4 66,-3.0 64,-0.3 2,-0.3 -0.935 35.8 165.4-100.8 105.4 30.8 18.9 6.5 42 42 A W E -Jk 125 107C 0 83,-2.0 83,-1.4 -2,-0.7 2,-0.3 -0.919 14.6-169.2-128.6 152.2 34.2 18.4 5.0 43 43 A V E -Jk 124 108C 0 64,-2.6 66,-2.7 -2,-0.3 81,-0.2 -0.982 31.9-105.0-138.5 147.3 36.5 15.4 4.8 44 44 A F + 0 0 0 79,-2.6 15,-3.0 -2,-0.3 2,-0.3 -0.372 57.0 173.9 -55.0 143.0 40.0 14.3 4.0 45 45 A S B > -o 59 0D 2 64,-0.3 3,-1.4 13,-0.3 15,-0.2 -0.919 51.8 -88.8-152.5 169.2 39.6 12.5 0.7 46 46 A S T 3 S+ 0 0 59 13,-2.3 14,-0.1 -2,-0.3 4,-0.1 0.598 123.6 59.0 -62.7 -11.9 41.3 10.8 -2.2 47 47 A E T 3 S+ 0 0 51 12,-0.3 -1,-0.2 62,-0.2 2,-0.2 0.500 79.3 114.2 -94.7 -8.8 41.5 14.3 -3.8 48 48 A T S < S- 0 0 10 -3,-1.4 63,-0.2 1,-0.1 62,-0.2 -0.466 86.5 -92.7 -67.4 130.9 43.5 15.8 -0.9 49 49 A T > - 0 0 57 61,-2.3 3,-2.5 -2,-0.2 4,-0.2 -0.157 38.7-131.3 -38.2 117.8 47.1 16.9 -1.8 50 50 A A G > S+ 0 0 86 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.823 104.1 54.1 -58.8 -36.2 49.1 13.7 -0.9 51 51 A S G 3 S+ 0 0 103 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.577 103.3 59.0 -72.7 -8.7 51.7 15.6 1.1 52 52 A E G < S+ 0 0 49 -3,-2.5 2,-0.5 -4,-0.0 -1,-0.2 0.319 90.3 82.6-101.9 7.5 48.9 17.1 3.2 53 53 A V < + 0 0 41 -3,-1.3 2,-0.1 -4,-0.2 64,-0.1 -0.971 48.4 163.8-112.8 124.6 47.6 13.7 4.3 54 54 A D S S- 0 0 106 -2,-0.5 -3,-0.0 63,-0.2 -4,-0.0 -0.583 74.3 -31.7-144.6 73.6 49.4 12.1 7.3 55 55 A G S S+ 0 0 62 1,-0.3 2,-0.1 -2,-0.1 -2,-0.0 0.274 94.5 131.0 103.2 -8.3 47.5 9.3 8.9 56 56 A Q - 0 0 13 61,-0.1 2,-0.4 66,-0.1 -1,-0.3 -0.370 61.7-112.7 -75.0 158.5 43.9 10.5 8.4 57 57 A T - 0 0 67 63,-0.2 2,-0.3 -26,-0.1 -13,-0.3 -0.792 38.4-145.6 -86.1 133.5 41.2 8.2 7.0 58 58 A I - 0 0 60 -2,-0.4 2,-0.5 -15,-0.1 -13,-0.3 -0.796 9.3-130.3-109.6 144.9 40.1 9.4 3.6 59 59 A Y B -o 45 0D 0 -15,-3.0 -13,-2.3 -2,-0.3 -12,-0.3 -0.804 18.5-165.8 -83.0 129.7 36.8 9.5 1.8 60 60 A T > - 0 0 41 -2,-0.5 3,-1.8 -15,-0.2 4,-0.3 -0.902 4.4-172.5-116.7 95.2 37.1 8.1 -1.8 61 61 A P G > S+ 0 0 7 0, 0.0 3,-2.0 0, 0.0 6,-0.3 0.856 81.3 67.5 -66.8 -26.0 33.9 9.1 -3.6 62 62 A S G 3 S+ 0 0 112 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.761 98.7 52.9 -64.3 -19.0 34.8 6.9 -6.6 63 63 A K G < S+ 0 0 60 -3,-1.8 2,-0.6 1,-0.0 -1,-0.3 0.455 94.1 85.4 -93.3 3.1 34.3 3.8 -4.3 64 64 A S X - 0 0 8 -3,-2.0 3,-1.2 -4,-0.3 -40,-0.1 -0.877 62.4-159.4-107.6 120.2 30.8 4.9 -3.3 65 65 A T T 3 S+ 0 0 121 -40,-2.9 -1,-0.1 -2,-0.6 -3,-0.0 0.603 94.5 50.4 -77.0 -4.1 28.0 4.0 -5.6 66 66 A T T 3 S+ 0 0 55 -41,-0.3 -1,-0.3 -40,-0.1 2,-0.3 0.347 84.5 109.5-108.5 -2.4 25.8 6.7 -4.1 67 67 A A < - 0 0 26 -3,-1.2 2,-0.4 -6,-0.3 25,-0.2 -0.566 43.7-178.3 -74.0 138.4 28.3 9.5 -4.5 68 68 A K E -L 91 0C 50 23,-2.0 23,-2.9 -2,-0.3 2,-0.2 -0.982 29.7-119.1-136.7 126.9 27.5 12.2 -7.1 69 69 A L E -L 90 0C 104 -2,-0.4 2,-1.0 21,-0.2 21,-0.3 -0.436 24.5-131.0 -59.6 131.3 29.8 15.1 -8.0 70 70 A L E > - 0 0 49 19,-2.7 3,-2.0 -2,-0.2 19,-0.4 -0.785 36.9-115.6 -85.0 102.8 27.9 18.4 -7.3 71 71 A S E 3 S- 0 0 113 -2,-1.0 3,-0.1 1,-0.3 -1,-0.0 -0.177 82.8 -10.3 -54.4 119.5 28.6 20.1 -10.6 72 72 A G E 3 S+ 0 0 64 1,-0.3 2,-0.3 17,-0.1 -1,-0.3 0.448 95.6 141.5 77.3 4.8 30.7 23.3 -10.4 73 73 A A E < + 0 0 7 -3,-2.0 16,-0.7 16,-0.2 2,-0.3 -0.584 21.5 169.9 -86.8 135.6 30.5 23.4 -6.6 74 74 A T E -LM 88 137C 77 63,-2.9 63,-2.9 -2,-0.3 2,-0.3 -0.887 12.2-163.0-134.1 168.8 33.4 24.5 -4.5 75 75 A W E +L 87 0C 5 12,-1.6 12,-2.1 -2,-0.3 2,-0.3 -0.980 8.4 177.7-151.8 154.2 34.1 25.4 -0.9 76 76 A S E -L 86 0C 77 -2,-0.3 2,-0.3 10,-0.2 10,-0.3 -0.886 10.8-178.1-163.1 128.5 36.7 27.2 1.1 77 77 A I E -L 85 0C 17 8,-3.4 8,-2.3 -2,-0.3 2,-0.3 -0.962 15.5-162.3-140.5 153.7 36.8 27.9 4.8 78 78 A S E -L 84 0C 97 -2,-0.3 6,-0.3 6,-0.2 2,-0.2 -0.996 17.6-148.9-132.0 129.3 38.9 29.6 7.5 79 79 A Y > - 0 0 37 4,-3.4 3,-2.5 -2,-0.3 -41,-0.0 -0.607 29.6-107.4-104.7 164.8 38.5 29.0 11.2 80 80 A G T 3 S+ 0 0 94 1,-0.3 -1,-0.1 -2,-0.2 142,-0.0 0.758 118.5 62.1 -56.2 -33.1 39.1 31.2 14.3 81 81 A D T 3 S- 0 0 108 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.473 121.7-107.1 -69.2 -10.3 42.2 29.3 15.0 82 82 A G S < S+ 0 0 67 -3,-2.5 -2,-0.1 1,-0.3 2,-0.1 0.393 78.9 130.7 96.3 -8.0 43.7 30.4 11.7 83 83 A S - 0 0 5 30,-0.1 -4,-3.4 -5,-0.1 -1,-0.3 -0.363 32.9-177.4 -74.7 160.5 43.3 27.0 10.1 84 84 A S E -L 78 0C 45 -6,-0.3 29,-2.6 -3,-0.1 2,-0.3 -0.974 14.5-176.3-152.8 164.1 41.6 26.5 6.6 85 85 A S E +LN 77 112C 4 -8,-2.3 -8,-3.4 -2,-0.3 2,-0.3 -0.955 5.1 176.8-155.2 162.5 40.5 24.0 4.0 86 86 A S E +LN 76 111C 13 25,-1.9 24,-2.6 -2,-0.3 25,-2.1 -0.984 18.1 114.0-161.9 160.9 39.0 24.0 0.5 87 87 A G E -LN 75 109C 10 -12,-2.1 -12,-1.6 -2,-0.3 22,-0.2 -0.943 54.4 -50.3 170.6-148.2 38.0 21.7 -2.3 88 88 A D E -LN 74 108C 25 20,-1.5 20,-2.3 -2,-0.3 2,-0.4 -0.522 46.4-116.4-116.8-178.2 35.0 20.3 -4.3 89 89 A V E + N 0 107C 0 -16,-0.7 -19,-2.7 -19,-0.4 2,-0.3 -0.979 21.3 180.0-134.3 133.6 31.7 18.8 -3.3 90 90 A Y E -LN 69 106C 34 16,-2.8 16,-3.3 -2,-0.4 2,-0.4 -0.871 23.6-134.4-113.1 156.5 29.8 15.5 -3.7 91 91 A T E +LN 68 105C 35 -23,-2.9 -23,-2.0 -2,-0.3 2,-0.3 -0.929 42.1 147.2-102.9 147.7 26.4 14.5 -2.5 92 92 A D E - 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