==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 27-FEB-02 1GVU . COMPND 2 MOLECULE: ENDOTHIAPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENDOTHIA PARASITICA; . AUTHOR L.COATES,P.T.ERSKINE,M.P.CRUMP,S.P.WOOD,J.B.COOPER . 334 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 32.6 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 . 40 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 5.7 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 . 4 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 60 0, 0.0 151,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 166.0 27.6 276.8 -2.6 2 2 A T - 0 0 58 149,-0.2 2,-0.3 95,-0.1 169,-0.2 -0.930 360.0-155.5-141.3 166.3 25.6 274.2 -0.6 3 3 A G E -A 170 0A 1 167,-1.8 167,-2.8 -2,-0.3 2,-0.3 -0.985 4.4-171.5-140.4 156.4 25.0 273.2 3.0 4 4 A S E +A 169 0A 66 92,-2.1 2,-0.3 -2,-0.3 165,-0.2 -0.948 12.0 174.7-148.8 121.1 24.0 269.9 4.7 5 5 A A E -A 168 0A 10 163,-2.6 163,-2.6 -2,-0.3 2,-0.4 -0.963 29.7-119.3-131.3 146.1 23.1 269.6 8.4 6 6 A T E -A 167 0A 81 -2,-0.3 2,-0.4 161,-0.2 161,-0.3 -0.697 23.7-158.1 -84.6 134.5 21.8 266.8 10.6 7 7 A T E -A 166 0A 0 159,-1.9 159,-2.4 -2,-0.4 154,-0.2 -0.938 10.2-167.1-116.0 132.8 18.4 267.4 12.3 8 8 A T E -F 18 0B 51 10,-2.4 10,-2.4 -2,-0.4 152,-0.0 -0.961 27.0-108.2-125.6 138.4 17.6 265.4 15.4 9 9 A P E -F 17 0B 29 0, 0.0 8,-0.3 0, 0.0 3,-0.0 -0.345 23.6-139.7 -60.8 140.7 14.3 264.9 17.3 10 10 A I S S+ 0 0 28 6,-2.6 2,-0.3 -2,-0.0 7,-0.1 0.694 78.7 3.0 -73.8 -18.0 14.4 266.7 20.6 11 11 A D S > S- 0 0 60 5,-0.4 3,-1.3 109,-0.0 5,-0.1 -0.905 90.7 -79.5-155.8 179.4 12.7 263.9 22.5 12 12 A S T 3 S+ 0 0 100 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.555 121.2 55.3 -68.3 -10.2 11.3 260.3 22.1 13 13 A L T 3 S- 0 0 47 3,-0.1 -1,-0.2 267,-0.1 -3,-0.0 0.380 106.0-118.2-104.5 0.8 8.0 261.6 20.5 14 14 A D < + 0 0 0 -3,-1.3 -2,-0.1 2,-0.1 3,-0.1 0.907 56.0 158.1 57.9 41.6 9.5 263.6 17.5 15 15 A D - 0 0 22 1,-0.2 317,-0.5 316,-0.1 2,-0.3 0.866 67.3 -20.0 -63.7 -36.1 7.9 266.8 19.0 16 16 A A - 0 0 2 -5,-0.1 -6,-2.6 315,-0.1 -5,-0.4 -0.948 65.9-121.0-160.6 172.1 10.3 269.0 17.1 17 17 A Y E -F 9 0B 4 -2,-0.3 17,-0.4 -8,-0.3 2,-0.4 -0.963 17.4-152.5-128.6 140.1 13.7 268.8 15.5 18 18 A I E -F 8 0B 17 -10,-2.4 -10,-2.4 -2,-0.4 15,-0.2 -0.897 8.3-171.7-114.6 147.4 16.9 270.7 16.3 19 19 A T E -G 32 0C 0 13,-2.2 13,-2.6 -2,-0.4 -12,-0.2 -0.998 29.8-111.0-135.3 132.4 19.7 271.6 13.8 20 20 A P E -G 31 0C 46 0, 0.0 76,-0.4 0, 0.0 2,-0.4 -0.404 33.0-172.5 -68.2 144.9 23.0 273.2 14.9 21 21 A V E -G 30 0C 0 9,-2.7 9,-2.5 74,-0.1 2,-0.6 -1.000 15.4-143.3-137.4 132.0 23.7 276.8 13.7 22 22 A Q E -GH 29 94C 58 72,-2.5 72,-2.5 -2,-0.4 2,-0.4 -0.850 22.0-175.5-100.2 125.5 27.0 278.6 14.1 23 23 A I E > -GH 28 93C 0 5,-2.6 5,-2.2 -2,-0.6 70,-0.2 -0.963 39.9 -8.7-124.1 131.0 26.6 282.4 14.9 24 24 A G T 5S- 0 0 8 68,-2.8 39,-0.1 -2,-0.4 67,-0.1 -0.157 89.6 -41.2 90.8 179.1 29.3 285.0 15.3 25 25 A T T 5S+ 0 0 54 1,-0.1 39,-2.6 2,-0.1 40,-0.3 -0.981 132.1 28.7-133.3 116.7 33.1 285.1 15.3 26 26 A P T 5S- 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.649 120.0-104.1 -60.7 159.2 34.4 282.9 17.0 27 27 A A T 5 - 0 0 64 -2,-0.2 2,-0.6 -5,-0.1 -3,-0.2 -0.330 29.4-157.5 -61.3 135.5 31.4 280.7 16.2 28 28 A Q E < -G 23 0C 34 -5,-2.2 -5,-2.6 -2,-0.1 2,-0.6 -0.962 17.0-141.9-109.0 119.8 28.9 280.2 19.0 29 29 A T E +G 22 0C 72 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.807 25.8 172.4 -93.3 122.7 27.0 276.9 18.3 30 30 A L E -G 21 0C 0 -9,-2.5 -9,-2.7 -2,-0.6 2,-0.7 -0.904 33.0-125.9-122.2 148.8 23.3 277.0 19.2 31 31 A N E -G 20 0C 58 -2,-0.3 91,-3.0 -11,-0.2 92,-0.4 -0.883 37.5-173.0 -96.7 113.2 20.7 274.3 18.4 32 32 A L E -G 19 0C 0 -13,-2.6 -13,-2.2 -2,-0.7 2,-0.8 -0.759 28.0-120.7-111.1 152.8 17.8 276.0 16.5 33 33 A D E -i 124 0C 3 90,-2.4 92,-2.2 -2,-0.3 2,-0.5 -0.782 27.6-139.5 -89.7 109.0 14.3 274.8 15.4 34 34 A F E -i 125 0C 2 -2,-0.8 2,-0.6 -17,-0.4 92,-0.2 -0.640 24.5-169.6 -74.2 119.6 14.1 275.2 11.5 35 35 A D E > -i 126 0C 0 90,-2.6 92,-2.6 -2,-0.5 3,-1.5 -0.885 27.5-176.4-126.6 99.9 10.6 276.5 10.8 36 36 A T T 3 S+ 0 0 1 -2,-0.6 158,-0.5 1,-0.3 93,-0.1 0.507 87.6 66.7 -72.6 -0.2 9.1 276.7 7.3 37 37 A G T 3 S+ 0 0 0 91,-0.1 298,-2.7 156,-0.1 2,-0.3 0.191 103.9 37.1-102.1 14.5 6.1 278.4 9.0 38 38 A S < - 0 0 0 -3,-1.5 90,-2.7 296,-0.2 89,-0.8 -0.945 61.8-143.0-155.1 176.9 7.9 281.7 10.1 39 39 A S + 0 0 2 93,-0.3 2,-0.4 -2,-0.3 94,-0.1 0.074 62.8 97.7-138.6 24.7 10.5 284.1 8.9 40 40 A D - 0 0 0 93,-0.1 86,-0.7 92,-0.1 2,-0.7 -0.942 52.5-153.2-119.6 136.6 12.6 285.3 12.0 41 41 A L E +J 125 0C 6 -2,-0.4 65,-2.7 63,-0.3 2,-0.3 -0.931 35.1 164.2-102.3 107.3 16.0 283.9 13.1 42 42 A W E -Jk 124 106C 0 82,-1.5 82,-1.9 -2,-0.7 2,-0.3 -0.946 14.7-168.3-129.2 151.8 16.0 284.7 16.9 43 43 A V E -Jk 123 107C 0 63,-2.3 65,-2.3 -2,-0.3 80,-0.2 -0.971 31.8-103.0-138.8 149.0 18.2 283.3 19.8 44 44 A F + 0 0 0 78,-2.4 14,-2.5 -2,-0.3 2,-0.3 -0.492 57.3 178.2 -55.6 141.9 18.5 283.1 23.6 45 45 A S B > -o 58 0D 2 63,-0.4 3,-1.4 12,-0.3 14,-0.2 -0.872 50.2 -95.0-145.8 172.3 21.2 285.7 24.5 46 46 A S T 3 S+ 0 0 58 12,-2.1 13,-0.1 -2,-0.3 4,-0.1 0.641 123.7 59.3 -64.3 -14.3 23.3 287.5 27.1 47 47 A E T 3 S+ 0 0 57 11,-0.3 -1,-0.3 61,-0.2 2,-0.2 0.569 80.4 109.5 -84.4 -19.4 20.6 290.2 26.9 48 48 A T S < S- 0 0 10 -3,-1.4 62,-0.2 1,-0.1 61,-0.2 -0.399 88.7 -95.4 -68.2 134.5 17.8 287.7 27.9 49 49 A T > - 0 0 59 60,-2.2 3,-2.1 -2,-0.2 4,-0.4 -0.225 36.9-129.3 -46.5 127.0 16.4 288.3 31.4 50 50 A A G > S+ 0 0 86 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.856 105.1 56.0 -61.1 -38.4 18.4 286.0 33.6 51 51 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.681 104.5 56.6 -64.9 -15.7 15.4 284.3 35.4 52 52 A E G < 0 0 55 -3,-2.1 -1,-0.3 -4,-0.0 -2,-0.2 0.419 360.0 360.0 -96.2 -1.6 14.0 283.4 31.8 53 53 A V < 0 0 68 -3,-1.5 63,-0.1 -4,-0.4 64,-0.0 -0.879 360.0 360.0-101.1 360.0 17.2 281.5 30.9 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 55 0, 0.0 2,-0.4 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 156.0 19.9 276.8 27.0 56 57 A T - 0 0 77 63,-0.2 2,-0.3 -25,-0.1 -12,-0.3 -0.769 360.0-145.1 -85.2 133.7 23.0 277.8 25.3 57 58 A I - 0 0 60 -2,-0.4 2,-0.4 -14,-0.1 -12,-0.3 -0.778 9.4-129.3-107.9 148.4 23.1 281.7 24.8 58 59 A Y B -o 45 0D 0 -14,-2.5 -12,-2.1 -2,-0.3 -11,-0.3 -0.817 18.3-162.2 -84.8 129.1 24.5 284.0 22.1 59 60 A T > - 0 0 32 -2,-0.4 3,-1.9 -14,-0.2 4,-0.2 -0.909 3.9-169.2-112.9 98.9 26.7 286.8 23.5 60 61 A P G > S+ 0 0 7 0, 0.0 3,-1.9 0, 0.0 6,-0.3 0.843 85.3 62.0 -60.0 -33.7 27.0 289.6 20.8 61 62 A S G 3 S+ 0 0 106 1,-0.3 -2,-0.0 3,-0.0 3,-0.0 0.558 101.4 53.4 -71.7 -8.7 29.8 291.4 22.8 62 63 A K G < S+ 0 0 158 -3,-1.9 2,-0.6 -36,-0.0 -1,-0.3 0.377 94.8 83.5 -99.1 1.8 31.9 288.3 22.4 63 64 A S X - 0 0 10 -3,-1.9 3,-1.0 -4,-0.2 -39,-0.1 -0.910 62.3-160.0-109.2 120.5 31.5 288.3 18.5 64 65 A T T 3 S+ 0 0 118 -39,-2.6 -1,-0.1 -2,-0.6 -3,-0.0 0.738 92.0 52.1 -70.3 -18.8 33.8 290.5 16.6 65 66 A T T 3 S+ 0 0 52 -40,-0.3 2,-0.2 27,-0.1 -1,-0.2 0.445 80.9 115.5 -95.3 -5.0 31.4 290.5 13.5 66 67 A A < - 0 0 25 -3,-1.0 2,-0.4 -6,-0.3 25,-0.2 -0.512 42.4-174.7 -71.2 137.4 28.3 291.5 15.4 67 68 A K E -L 90 0C 145 23,-2.3 23,-2.4 -2,-0.2 2,-0.3 -0.998 25.7-124.8-129.1 129.4 26.8 295.0 14.4 68 69 A L E -L 89 0C 102 -2,-0.4 2,-1.0 21,-0.2 21,-0.3 -0.576 18.6-136.6 -67.7 132.1 23.8 296.6 16.2 69 70 A L E > - 0 0 56 19,-2.9 3,-2.0 -2,-0.3 19,-0.4 -0.768 34.2-128.3 -88.0 98.3 21.1 297.4 13.6 70 71 A S E 3 S+ 0 0 115 -2,-1.0 3,-0.1 1,-0.3 -1,-0.0 -0.224 80.9 3.9 -61.7 132.5 20.3 300.9 15.1 71 72 A G E 3 S+ 0 0 67 1,-0.2 2,-0.4 66,-0.0 -1,-0.3 0.426 97.5 130.4 81.8 -4.9 16.7 301.6 15.9 72 73 A A E < + 0 0 7 -3,-2.0 16,-0.7 16,-0.2 2,-0.3 -0.672 26.7 168.7 -94.3 136.2 15.5 298.1 14.9 73 74 A T E -LM 87 136C 82 63,-2.3 63,-2.5 -2,-0.4 2,-0.3 -0.901 13.4-157.8-133.4 166.3 13.3 296.0 17.2 74 75 A W E +L 86 0C 6 12,-1.8 12,-1.9 -2,-0.3 2,-0.3 -0.980 10.6 179.0-146.4 155.6 11.2 292.8 16.8 75 76 A S E +L 85 0C 87 59,-0.3 2,-0.3 -2,-0.3 10,-0.2 -0.898 13.5 176.9-158.8 125.4 8.3 291.1 18.4 76 77 A I E -L 84 0C 6 8,-2.4 8,-1.7 -2,-0.3 2,-0.3 -0.966 12.2-169.7-138.7 148.6 6.8 287.7 17.4 77 78 A S E -L 83 0C 49 259,-0.3 259,-2.4 -2,-0.3 2,-0.2 -0.984 12.8-148.5-137.6 153.8 4.1 285.3 18.4 78 79 A Y B > -P 335 0E 1 4,-2.3 3,-2.2 -2,-0.3 257,-0.2 -0.734 31.0-104.3-122.7 163.8 3.3 281.7 17.3 79 80 A G T 3 S+ 0 0 35 255,-3.0 255,-0.2 1,-0.3 256,-0.1 0.728 117.3 58.3 -61.7 -24.6 0.2 279.5 16.9 80 81 A D T 3 S- 0 0 60 253,-1.6 -1,-0.3 254,-0.2 254,-0.1 0.309 122.0-102.8 -85.9 6.7 1.1 277.5 20.1 81 82 A G S < S+ 0 0 68 -3,-2.2 -2,-0.1 1,-0.3 33,-0.1 0.348 78.4 132.2 92.7 -4.7 1.0 280.7 22.2 82 83 A S + 0 0 2 252,-0.1 -4,-2.3 30,-0.1 -1,-0.3 -0.335 28.0 170.9 -80.5 164.3 4.7 281.2 22.6 83 84 A S E +L 77 0C 50 -6,-0.2 29,-2.3 -2,-0.1 2,-0.3 -0.985 14.6 179.2-163.9 166.4 6.5 284.6 22.0 84 85 A S E -LN 76 111C 7 -8,-1.7 -8,-2.4 -2,-0.3 2,-0.3 -0.957 4.8-175.2-166.0 166.7 9.7 286.6 22.3 85 86 A S E +LN 75 110C 27 25,-1.6 24,-2.4 -2,-0.3 25,-1.5 -0.978 19.3 117.4-162.9 165.6 11.1 290.1 21.5 86 87 A G E -LN 74 108C 6 -12,-1.9 -12,-1.8 -2,-0.3 22,-0.2 -0.960 53.5 -50.4 169.4-149.0 14.3 292.1 21.5 87 88 A D E -LN 73 107C 24 20,-1.4 20,-2.0 -2,-0.3 2,-0.4 -0.482 49.1-111.5-117.1-175.7 16.8 294.1 19.4 88 89 A V E + N 0 106C 0 -16,-0.7 -19,-2.9 -19,-0.4 2,-0.3 -0.983 23.9 178.8-135.1 131.7 18.7 293.2 16.3 89 90 A Y E -LN 68 105C 37 16,-2.5 16,-3.1 -2,-0.4 2,-0.4 -0.842 22.8-137.8-112.7 155.0 22.2 292.5 15.3 90 91 A T E +LN 67 104C 27 -23,-2.4 -23,-2.3 -2,-0.3 2,-0.3 -0.931 41.2 149.1-102.7 144.2 23.6 291.6 11.9 91 92 A D E - 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