==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-03 1OEW . COMPND 2 MOLECULE: ENDOTHIAPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPHONECTRIA PARASITICA; . AUTHOR L.COATES,P.T.ERSKINE,S.MALL,R.S.GILL,S.P.WOOD,D.A.A.MYLES, . 330 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13024.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 71.2 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 . 105 31.8 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 . 44 13.3 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 . 19 5.8 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 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 3 5 3 3 2 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 59 0, 0.0 151,-2.4 0, 0.0 152,-0.3 0.000 360.0 360.0 360.0 163.3 27.9 32.9 -2.5 2 2 A T - 0 0 57 149,-0.2 2,-0.3 95,-0.1 169,-0.2 -0.926 360.0-155.4-141.3 166.0 25.9 30.4 -0.6 3 3 A G E -A 170 0A 2 167,-1.9 167,-2.9 -2,-0.3 2,-0.3 -0.984 4.5-171.9-139.4 154.8 25.1 29.4 3.0 4 4 A S E +A 169 0A 65 92,-2.0 2,-0.4 -2,-0.3 165,-0.2 -0.949 12.0 175.3-148.3 119.0 24.0 26.1 4.6 5 5 A A E -A 168 0A 9 163,-2.6 163,-2.6 -2,-0.3 2,-0.4 -0.967 29.0-120.5-128.5 144.2 23.0 25.9 8.3 6 6 A T E -A 167 0A 78 -2,-0.4 2,-0.4 161,-0.2 161,-0.3 -0.677 23.3-158.0 -82.9 133.3 21.6 23.1 10.4 7 7 A T E -A 166 0A 0 159,-1.8 159,-2.6 -2,-0.4 154,-0.2 -0.939 9.9-167.3-114.4 133.6 18.2 23.6 12.0 8 8 A T E -F 18 0B 61 10,-2.6 10,-2.6 -2,-0.4 152,-0.0 -0.959 26.7-108.0-126.1 137.4 17.2 21.7 15.1 9 9 A P E -F 17 0B 22 0, 0.0 8,-0.3 0, 0.0 153,-0.0 -0.373 23.5-139.4 -60.1 143.9 13.9 21.2 17.0 10 10 A I S S+ 0 0 33 6,-2.6 2,-0.3 -2,-0.0 7,-0.1 0.660 78.2 2.2 -76.3 -19.9 13.9 23.0 20.3 11 11 A D S > S- 0 0 59 5,-0.4 3,-1.2 109,-0.0 5,-0.1 -0.875 89.3 -80.6-157.3 178.4 12.1 20.1 22.1 12 12 A S T 3 S+ 0 0 98 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 0.592 121.8 54.6 -69.5 -15.2 10.8 16.6 21.7 13 13 A L T 3 S- 0 0 45 267,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.357 106.8-118.0 -98.2 -2.5 7.5 17.9 20.1 14 14 A D < + 0 0 1 -3,-1.2 -2,-0.1 2,-0.1 3,-0.1 0.904 55.2 159.2 60.2 41.6 9.0 20.0 17.3 15 15 A D - 0 0 49 1,-0.2 2,-0.3 291,-0.0 291,-0.1 0.866 67.8 -22.3 -63.7 -32.5 7.5 23.1 18.8 16 16 A A - 0 0 10 -5,-0.1 -6,-2.6 206,-0.0 -5,-0.4 -0.946 65.6-118.7-165.8 171.4 9.9 25.2 16.8 17 17 A Y E -F 9 0B 4 -2,-0.3 17,-0.4 -8,-0.3 2,-0.3 -0.968 17.8-153.0-125.6 142.4 13.3 25.0 15.2 18 18 A I E -F 8 0B 24 -10,-2.6 -10,-2.6 -2,-0.4 15,-0.2 -0.887 7.8-171.8-117.6 147.7 16.5 26.9 16.0 19 19 A T E -G 32 0C 0 13,-2.2 13,-2.6 -2,-0.3 -12,-0.2 -0.999 29.9-110.5-135.6 135.0 19.4 27.7 13.7 20 20 A P E -G 31 0C 44 0, 0.0 76,-0.4 0, 0.0 2,-0.4 -0.415 33.0-171.9 -70.7 144.0 22.7 29.3 14.7 21 21 A V E -G 30 0C 0 9,-2.6 9,-2.6 74,-0.1 2,-0.6 -1.000 15.6-143.2-136.2 129.1 23.4 32.8 13.6 22 22 A Q E -GH 29 94C 57 72,-2.7 72,-2.7 -2,-0.4 2,-0.4 -0.851 22.3-174.8 -96.0 121.9 26.7 34.7 13.9 23 23 A I E > -GH 28 93C 0 5,-2.6 5,-2.3 -2,-0.6 70,-0.2 -0.966 40.4 -11.4-121.2 128.7 26.3 38.4 14.7 24 24 A G T 5S- 0 0 7 68,-3.0 39,-0.1 -2,-0.4 67,-0.1 -0.159 89.7 -38.7 87.2-179.3 29.0 41.0 15.0 25 25 A T T 5S+ 0 0 54 1,-0.2 39,-2.7 2,-0.1 40,-0.3 -0.977 132.4 26.9-133.5 117.4 32.8 41.1 15.1 26 26 A P T 5S- 0 0 98 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.637 120.7-103.2 -60.9 157.8 34.1 38.9 16.6 27 27 A A T 5 - 0 0 62 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.319 29.0-157.2 -60.5 136.5 31.1 36.7 15.9 28 28 A Q E < -G 23 0C 34 -5,-2.3 -5,-2.6 -2,-0.0 2,-0.6 -0.971 17.3-142.6-108.4 118.7 28.5 36.2 18.7 29 29 A T E +G 22 0C 70 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.766 25.3 172.8 -93.6 122.1 26.6 33.0 18.0 30 30 A L E -G 21 0C 0 -9,-2.6 -9,-2.6 -2,-0.6 2,-0.7 -0.914 32.5-126.0-119.7 149.5 22.9 33.1 18.9 31 31 A N E -G 20 0C 58 -2,-0.3 91,-2.8 -11,-0.2 92,-0.4 -0.869 37.1-172.6 -98.6 112.2 20.2 30.4 18.1 32 32 A L E -G 19 0C 0 -13,-2.6 -13,-2.2 -2,-0.7 2,-0.8 -0.752 28.4-121.0-110.5 151.2 17.4 32.1 16.3 33 33 A D E -i 124 0C 17 90,-2.5 92,-2.4 -2,-0.3 2,-0.5 -0.811 28.1-140.9 -88.2 108.7 14.0 30.9 15.2 34 34 A F E -i 125 0C 1 -2,-0.8 2,-0.6 -17,-0.4 92,-0.2 -0.635 24.1-170.3 -75.1 120.5 13.9 31.3 11.4 35 35 A D E > -i 126 0C 5 90,-2.6 92,-2.6 -2,-0.5 3,-1.5 -0.885 26.5-175.6-128.4 101.0 10.3 32.6 10.7 36 36 A T T 3 S+ 0 0 0 -2,-0.6 158,-0.5 1,-0.3 93,-0.2 0.514 86.9 65.9 -73.0 0.9 9.0 32.8 7.1 37 37 A G T 3 S+ 0 0 0 91,-0.1 295,-2.2 156,-0.1 2,-0.3 0.251 105.0 37.8-100.9 8.3 5.8 34.4 8.7 38 38 A S < - 0 0 0 -3,-1.5 90,-2.8 293,-0.2 89,-0.8 -0.931 63.5-143.2-152.0 175.6 7.6 37.6 9.9 39 39 A S + 0 0 1 93,-0.3 2,-0.4 -2,-0.3 94,-0.1 0.137 60.6 99.9-139.9 24.7 10.2 40.0 8.8 40 40 A D - 0 0 0 93,-0.1 86,-1.1 -5,-0.1 2,-0.7 -0.917 51.8-153.2-116.1 138.0 12.3 41.2 11.8 41 41 A L E +J 125 0C 5 -2,-0.4 65,-2.8 63,-0.3 2,-0.3 -0.945 37.1 163.1-102.8 103.7 15.7 39.9 12.9 42 42 A W E -Jk 124 106C 0 82,-1.6 82,-1.8 -2,-0.7 2,-0.3 -0.946 15.3-169.5-129.0 150.0 15.5 40.7 16.7 43 43 A V E -Jk 123 107C 0 63,-2.5 65,-2.5 -2,-0.3 80,-0.2 -0.969 32.4-103.9-137.4 148.3 17.6 39.3 19.5 44 44 A F + 0 0 0 78,-2.6 14,-2.5 -2,-0.3 2,-0.3 -0.491 57.8 177.5 -56.5 144.1 17.9 39.2 23.3 45 45 A S B > -o 58 0D 2 63,-0.4 3,-1.5 12,-0.3 14,-0.2 -0.886 50.7 -92.0-148.4 170.3 20.6 41.7 24.1 46 46 A S T 3 S+ 0 0 57 12,-2.2 13,-0.1 -2,-0.3 4,-0.1 0.650 123.9 59.7 -59.8 -17.3 22.6 43.5 26.8 47 47 A E T 3 S+ 0 0 55 11,-0.3 -1,-0.3 61,-0.1 2,-0.2 0.574 79.2 110.0 -83.0 -18.2 19.9 46.1 26.6 48 48 A T S < S- 0 0 10 -3,-1.5 62,-0.2 1,-0.1 61,-0.2 -0.442 87.6 -94.9 -70.2 135.4 17.1 43.7 27.5 49 49 A T > - 0 0 59 60,-2.3 3,-2.0 -2,-0.2 4,-0.4 -0.218 37.1-130.9 -45.6 124.6 15.6 44.3 31.0 50 50 A A G > S+ 0 0 84 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.861 103.8 57.2 -60.1 -40.1 17.5 41.9 33.2 51 51 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.688 104.8 54.9 -64.3 -15.5 14.5 40.3 34.9 52 52 A E G < 0 0 54 -3,-2.0 -1,-0.3 65,-0.0 -2,-0.2 0.432 360.0 360.0 -96.9 -2.5 13.2 39.4 31.4 53 53 A V < 0 0 67 -3,-1.6 63,-0.1 -4,-0.4 66,-0.0 -0.858 360.0 360.0 -99.3 360.0 16.3 37.5 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 55 A Q 0 0 53 0, 0.0 2,-0.4 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 153.7 19.1 32.8 26.6 56 56 A T - 0 0 75 63,-0.2 2,-0.3 -25,-0.1 -12,-0.3 -0.778 360.0-146.0 -83.3 135.7 22.4 33.9 24.9 57 57 A I - 0 0 59 -2,-0.4 2,-0.5 -14,-0.1 -12,-0.3 -0.756 9.5-128.0-109.8 150.9 22.5 37.7 24.4 58 58 A Y B -o 45 0D 0 -14,-2.5 -12,-2.2 -2,-0.3 -11,-0.3 -0.838 18.2-162.3 -88.6 129.8 23.9 40.0 21.8 59 59 A T > - 0 0 16 -2,-0.5 3,-1.9 -14,-0.2 4,-0.3 -0.911 3.8-169.3-113.0 100.4 26.1 42.8 23.2 60 60 A P G > S+ 0 0 5 0, 0.0 3,-1.9 0, 0.0 6,-0.3 0.841 83.9 63.9 -61.0 -33.5 26.5 45.5 20.5 61 61 A S G 3 S+ 0 0 109 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.585 99.7 54.6 -69.9 -7.9 29.3 47.3 22.5 62 62 A K G < S+ 0 0 147 -3,-1.9 2,-0.6 -36,-0.0 -1,-0.3 0.408 92.8 85.0 -98.1 0.9 31.4 44.2 22.0 63 63 A S X - 0 0 10 -3,-1.9 3,-1.0 -4,-0.3 -39,-0.1 -0.904 61.6-159.6-106.6 121.5 31.1 44.2 18.2 64 64 A T T 3 S+ 0 0 117 -39,-2.7 -1,-0.1 -2,-0.6 -3,-0.0 0.720 93.7 51.4 -68.6 -21.5 33.5 46.4 16.3 65 65 A T T 3 S+ 0 0 51 -40,-0.3 -1,-0.2 27,-0.1 2,-0.2 0.464 81.9 114.7 -96.3 -6.1 31.1 46.4 13.3 66 66 A A < - 0 0 25 -3,-1.0 2,-0.4 -6,-0.3 25,-0.2 -0.476 41.6-175.4 -72.5 135.6 27.9 47.4 15.1 67 67 A K E -L 90 0C 138 23,-2.3 23,-2.5 -2,-0.2 2,-0.3 -0.998 25.7-124.3-129.3 128.0 26.4 50.8 14.2 68 68 A L E -L 89 0C 98 -2,-0.4 2,-1.0 21,-0.2 21,-0.3 -0.549 19.3-135.3 -67.4 129.9 23.4 52.4 16.0 69 69 A L E > - 0 0 54 19,-3.0 3,-1.9 -2,-0.3 19,-0.4 -0.810 33.7-126.5 -86.3 99.6 20.7 53.2 13.5 70 70 A S E 3 S+ 0 0 112 -2,-1.0 3,-0.1 1,-0.3 19,-0.0 -0.288 80.5 2.0 -61.6 134.8 19.9 56.6 14.8 71 71 A G E 3 S+ 0 0 67 1,-0.2 2,-0.3 66,-0.0 -1,-0.3 0.350 96.4 132.5 78.0 -2.3 16.3 57.3 15.7 72 72 A A E < + 0 0 9 -3,-1.9 16,-0.6 16,-0.2 2,-0.3 -0.644 26.3 169.6 -91.5 140.3 15.1 53.8 14.8 73 73 A T E -LM 87 136C 81 63,-2.5 63,-2.7 -2,-0.3 2,-0.3 -0.905 12.3-159.6-136.8 166.0 12.8 51.8 17.0 74 74 A W E +L 86 0C 7 12,-1.8 12,-1.9 -2,-0.3 2,-0.3 -0.978 10.6 178.1-146.6 157.0 10.8 48.5 16.6 75 75 A S E +L 85 0C 83 59,-0.3 2,-0.3 -2,-0.3 10,-0.2 -0.865 12.3 178.3-162.4 124.5 7.9 46.8 18.2 76 76 A I E -L 84 0C 4 8,-2.4 8,-1.7 -2,-0.3 2,-0.3 -0.933 12.2-171.3-134.1 149.2 6.4 43.4 17.1 77 77 A S E -L 83 0C 67 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.986 15.0-147.9-137.4 148.3 3.6 41.1 18.2 78 78 A Y > - 0 0 19 4,-2.3 3,-2.5 -2,-0.3 254,-0.2 -0.648 34.2 -94.4-112.9 170.3 2.9 37.6 16.9 79 79 A G T 3 S+ 0 0 72 252,-2.3 253,-0.1 1,-0.3 -1,-0.0 0.726 121.6 58.2 -56.1 -28.5 -0.3 35.6 16.4 80 80 A D T 3 S- 0 0 117 251,-0.2 -1,-0.3 2,-0.1 0, 0.0 0.419 121.4-105.2 -82.6 -1.1 0.2 33.9 19.8 81 81 A G S < S+ 0 0 58 -3,-2.5 -2,-0.1 1,-0.3 2,-0.0 0.391 75.5 138.0 89.6 1.6 0.1 37.2 21.5 82 82 A S + 0 0 7 30,-0.1 -4,-2.3 31,-0.1 -1,-0.3 -0.347 27.6 178.0 -74.6 158.5 3.9 37.4 22.3 83 83 A S E +L 77 0C 50 -6,-0.2 29,-2.4 2,-0.0 2,-0.3 -0.978 18.4 177.7-159.4 163.7 5.8 40.7 21.8 84 84 A S E -LN 76 111C 5 -8,-1.7 -8,-2.4 -2,-0.3 2,-0.3 -0.952 6.9-176.3-162.2 165.0 9.1 42.5 22.0 85 85 A S E +LN 75 110C 26 25,-1.7 24,-2.6 -2,-0.3 25,-1.6 -0.980 18.6 116.3-162.1 165.1 10.5 46.0 21.2 86 86 A G E -LN 74 108C 6 -12,-1.9 -12,-1.8 -2,-0.3 22,-0.2 -0.946 52.6 -50.4 168.9-150.6 13.7 48.0 21.3 87 87 A D E -LN 73 107C 22 20,-1.4 20,-2.1 -2,-0.3 2,-0.4 -0.496 47.5-112.4-116.1-177.2 16.3 49.9 19.2 88 88 A V E + N 0 106C 0 -16,-0.6 -19,-3.0 -19,-0.4 2,-0.3 -0.986 23.0 178.7-135.2 132.6 18.3 49.0 16.1 89 89 A Y E -LN 68 105C 36 16,-2.6 16,-3.1 -2,-0.4 2,-0.4 -0.809 22.7-137.5-114.8 155.8 21.9 48.4 15.1 90 90 A T E +LN 67 104C 30 -23,-2.5 -23,-2.3 -2,-0.3 2,-0.3 -0.945 40.7 149.5-103.0 143.6 23.3 47.4 11.8 91 91 A D E - 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