==== 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 1GVT . 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 . 329 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 69.9 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 31.9 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 . 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 61 0, 0.0 151,-2.4 0, 0.0 152,-0.3 0.000 360.0 360.0 360.0 164.0 27.8 271.4 -2.5 2 2 A T - 0 0 57 149,-0.2 2,-0.3 95,-0.1 169,-0.2 -0.927 360.0-153.8-141.6 167.2 25.7 268.9 -0.6 3 3 A G E -A 170 0A 1 167,-2.0 167,-2.8 -2,-0.3 2,-0.3 -0.982 4.6-170.9-141.1 155.1 25.0 267.9 3.0 4 4 A S E +A 169 0A 66 92,-2.1 2,-0.3 -2,-0.3 165,-0.2 -0.940 12.3 174.7-147.3 118.4 23.9 264.7 4.6 5 5 A A E -A 168 0A 9 163,-2.7 163,-2.6 -2,-0.3 2,-0.4 -0.967 29.4-119.8-129.4 147.8 22.9 264.4 8.3 6 6 A T E -A 167 0A 78 -2,-0.3 2,-0.4 161,-0.2 161,-0.3 -0.693 23.8-157.9 -86.2 132.6 21.5 261.6 10.5 7 7 A T E -A 166 0A 0 159,-1.8 159,-2.6 -2,-0.4 12,-0.2 -0.930 9.8-167.4-114.2 136.6 18.1 262.2 12.1 8 8 A T E -F 18 0B 62 10,-2.5 10,-2.6 -2,-0.4 152,-0.0 -0.969 26.6-108.5-127.9 138.9 17.1 260.3 15.2 9 9 A P E -F 17 0B 22 0, 0.0 8,-0.3 0, 0.0 153,-0.0 -0.369 23.7-138.9 -62.3 143.1 13.8 259.8 17.0 10 10 A I S S+ 0 0 25 6,-2.7 2,-0.3 -2,-0.0 7,-0.1 0.693 79.1 3.4 -76.0 -18.1 13.8 261.7 20.3 11 11 A D S > S- 0 0 59 5,-0.4 3,-1.4 109,-0.0 5,-0.1 -0.866 88.7 -83.8-156.9 178.1 12.1 258.8 22.1 12 12 A S T 3 S+ 0 0 96 1,-0.3 -2,-0.0 -2,-0.3 0, 0.0 0.544 120.7 58.6 -74.5 -6.4 10.7 255.3 21.7 13 13 A L T 3 S- 0 0 50 3,-0.1 -1,-0.3 267,-0.0 -3,-0.0 0.337 106.1-120.4 -99.4 -0.7 7.4 256.6 20.2 14 14 A D < + 0 0 1 -3,-1.4 -2,-0.1 2,-0.1 3,-0.1 0.896 55.8 157.9 57.2 42.5 9.0 258.5 17.3 15 15 A D - 0 0 21 1,-0.2 2,-0.3 316,-0.1 291,-0.1 0.869 66.6 -18.7 -63.3 -34.9 7.4 261.7 18.7 16 16 A A - 0 0 2 -5,-0.1 -6,-2.7 315,-0.1 2,-0.4 -0.956 65.4-120.7-163.4 166.7 9.8 263.9 16.9 17 17 A Y E -F 9 0B 3 -2,-0.3 17,-0.4 -8,-0.3 2,-0.4 -0.963 18.4-156.7-124.3 138.6 13.2 263.6 15.1 18 18 A I E -F 8 0B 21 -10,-2.6 -10,-2.5 -2,-0.4 15,-0.2 -0.890 6.0-170.8-117.5 148.0 16.3 265.6 15.9 19 19 A T E -G 32 0C 0 13,-2.2 13,-2.5 -2,-0.4 -12,-0.2 -0.998 29.7-109.8-135.0 135.2 19.3 266.3 13.7 20 20 A P E -G 31 0C 43 0, 0.0 2,-0.4 0, 0.0 76,-0.4 -0.444 33.4-172.4 -69.0 143.9 22.6 267.9 14.7 21 21 A V E -G 30 0C 0 9,-2.6 9,-2.7 74,-0.1 2,-0.6 -1.000 15.8-142.9-136.0 130.5 23.3 271.4 13.5 22 22 A Q E -GH 29 94C 57 72,-2.7 72,-2.7 -2,-0.4 2,-0.4 -0.846 22.4-175.4 -96.3 124.3 26.6 273.3 13.9 23 23 A I E > -GH 28 93C 0 5,-2.5 5,-2.3 -2,-0.6 70,-0.2 -0.968 40.2 -9.3-123.2 130.3 26.2 277.0 14.7 24 24 A G T 5S- 0 0 7 68,-3.0 39,-0.1 -2,-0.4 67,-0.1 -0.164 89.5 -40.1 89.3-178.9 29.0 279.6 15.0 25 25 A T T 5S+ 0 0 56 1,-0.2 39,-2.7 2,-0.1 40,-0.3 -0.978 132.6 27.7-133.6 116.9 32.7 279.6 15.1 26 26 A P T 5S- 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.644 120.8-102.9 -62.4 160.3 34.0 277.4 16.7 27 27 A A T 5 - 0 0 63 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.314 29.4-158.0 -61.0 136.7 31.0 275.2 16.0 28 28 A Q E < -G 23 0C 34 -5,-2.3 -5,-2.5 -2,-0.0 2,-0.6 -0.967 17.2-143.8-109.8 116.5 28.4 274.8 18.7 29 29 A T E +G 22 0C 68 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.787 24.8 172.8 -93.0 120.9 26.4 271.6 18.0 30 30 A L E -G 21 0C 0 -9,-2.7 -9,-2.6 -2,-0.6 2,-0.7 -0.907 32.6-125.7-120.7 148.4 22.7 271.6 18.9 31 31 A N E -G 20 0C 58 -2,-0.3 91,-2.8 -11,-0.2 92,-0.4 -0.865 37.3-174.1 -96.3 112.3 20.1 269.0 18.1 32 32 A L E -G 19 0C 0 -13,-2.5 -13,-2.2 -2,-0.7 2,-0.7 -0.766 28.9-120.7-110.5 151.6 17.3 270.7 16.2 33 33 A D E -i 124 0C 10 90,-2.4 92,-2.3 -2,-0.3 2,-0.6 -0.811 27.1-139.6 -87.9 111.2 13.9 269.5 15.1 34 34 A F E -i 125 0C 1 -2,-0.7 2,-0.6 -17,-0.4 92,-0.2 -0.680 26.1-169.8 -74.9 116.4 13.8 269.9 11.3 35 35 A D E > -i 126 0C 10 90,-2.4 92,-2.7 -2,-0.6 3,-1.4 -0.899 27.3-174.8-124.3 102.9 10.3 271.2 10.7 36 36 A T T 3 S+ 0 0 0 -2,-0.6 158,-0.5 1,-0.2 93,-0.2 0.465 85.9 67.9 -75.3 3.8 8.8 271.5 7.2 37 37 A G T 3 S+ 0 0 15 91,-0.1 2,-0.3 156,-0.1 -1,-0.2 0.266 104.9 34.6-100.5 6.9 5.7 273.2 8.9 38 38 A S < - 0 0 6 -3,-1.4 90,-2.7 87,-0.1 89,-0.8 -0.942 63.1-142.1-152.9 176.1 7.5 276.3 10.0 39 39 A S + 0 0 1 93,-0.3 2,-0.4 -2,-0.3 94,-0.1 0.077 61.4 100.8-138.9 25.5 10.3 278.7 8.8 40 40 A D - 0 0 0 93,-0.1 86,-0.9 -5,-0.1 2,-0.7 -0.931 52.0-153.3-116.3 137.2 12.3 279.8 11.8 41 41 A L E +J 125 0C 5 -2,-0.4 65,-3.0 63,-0.3 2,-0.3 -0.942 37.1 161.8-100.3 105.1 15.7 278.5 12.8 42 42 A W E -Jk 124 106C 0 82,-1.5 82,-2.0 -2,-0.7 2,-0.3 -0.948 16.8-167.7-131.5 153.0 15.6 279.3 16.6 43 43 A V E -Jk 123 107C 0 63,-2.5 65,-2.5 -2,-0.3 80,-0.2 -0.970 32.4-101.8-138.0 148.0 17.6 277.9 19.5 44 44 A F - 0 0 0 78,-2.6 14,-2.5 -2,-0.3 2,-0.3 -0.463 58.4-178.7 -54.7 142.6 17.9 277.7 23.2 45 45 A S B > -o 58 0D 2 63,-0.4 3,-1.6 12,-0.3 14,-0.2 -0.896 49.1 -96.0-145.8 169.3 20.5 280.3 24.1 46 46 A S T 3 S+ 0 0 58 12,-2.2 13,-0.1 -2,-0.3 4,-0.1 0.658 123.5 59.7 -62.6 -15.2 22.6 282.0 26.7 47 47 A E T 3 S+ 0 0 49 11,-0.3 -1,-0.3 61,-0.2 2,-0.2 0.554 79.7 110.4 -86.5 -14.1 19.8 284.6 26.5 48 48 A T S < S- 0 0 9 -3,-1.6 62,-0.2 1,-0.1 61,-0.2 -0.449 87.7 -94.5 -71.2 134.8 17.0 282.2 27.5 49 49 A T > - 0 0 59 60,-2.4 3,-2.1 -2,-0.2 4,-0.4 -0.209 37.6-130.4 -45.8 125.8 15.5 282.8 30.9 50 50 A A G > S+ 0 0 83 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.860 104.1 55.9 -59.1 -39.8 17.5 280.5 33.2 51 51 A S G 3 S+ 0 0 103 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.673 105.3 55.1 -67.8 -13.8 14.5 278.9 34.9 52 52 A E G < 0 0 54 -3,-2.1 -1,-0.3 65,-0.0 -2,-0.2 0.453 360.0 360.0 -96.6 -2.2 13.1 277.9 31.4 53 53 A V < 0 0 67 -3,-1.6 63,-0.1 -4,-0.4 66,-0.0 -0.879 360.0 360.0 -98.5 360.0 16.3 276.1 30.4 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 0.000 360.0 360.0 360.0 155.4 19.0 271.4 26.6 56 57 A T - 0 0 73 63,-0.2 2,-0.3 -25,-0.1 -12,-0.3 -0.760 360.0-148.1 -86.3 134.5 22.2 272.5 24.9 57 58 A I - 0 0 58 -2,-0.4 2,-0.5 -14,-0.1 -12,-0.3 -0.787 10.5-127.4-110.7 152.2 22.3 276.2 24.3 58 59 A Y B -o 45 0D 0 -14,-2.5 -12,-2.2 -2,-0.3 -11,-0.3 -0.844 17.8-161.6 -89.6 131.9 23.9 278.5 21.7 59 60 A T > - 0 0 33 -2,-0.5 3,-2.0 -14,-0.2 4,-0.3 -0.916 3.2-167.9-114.7 100.2 26.0 281.3 23.2 60 61 A P G > S+ 0 0 7 0, 0.0 3,-1.9 0, 0.0 6,-0.3 0.856 84.7 62.7 -61.3 -33.0 26.4 284.0 20.5 61 62 A S G 3 S+ 0 0 109 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.576 99.7 55.9 -71.3 -7.5 29.2 285.8 22.5 62 63 A K G < S+ 0 0 155 -3,-2.0 2,-0.6 -36,-0.0 -1,-0.3 0.402 92.5 84.0 -96.9 1.4 31.3 282.7 22.1 63 64 A S X - 0 0 10 -3,-1.9 3,-1.1 -4,-0.3 -39,-0.1 -0.903 61.5-160.1-108.2 120.3 31.0 282.7 18.2 64 65 A T T 3 S+ 0 0 119 -39,-2.7 -1,-0.1 -2,-0.6 -3,-0.0 0.699 94.1 50.8 -70.6 -18.5 33.4 284.9 16.4 65 66 A T T 3 S+ 0 0 50 -40,-0.3 -1,-0.3 27,-0.1 2,-0.2 0.441 82.0 115.0 -96.8 -5.1 31.1 284.9 13.3 66 67 A A < - 0 0 24 -3,-1.1 2,-0.4 -6,-0.3 25,-0.2 -0.495 42.1-175.2 -70.6 135.4 27.9 285.9 15.2 67 68 A K E -L 90 0C 145 23,-2.3 23,-2.5 -2,-0.2 2,-0.3 -0.998 25.4-123.5-128.9 129.6 26.5 289.3 14.2 68 69 A L E -L 89 0C 101 -2,-0.4 2,-1.1 21,-0.2 21,-0.3 -0.524 16.9-136.6 -67.9 132.7 23.5 290.9 15.9 69 70 A L E > - 0 0 54 19,-2.9 3,-1.9 -2,-0.3 19,-0.4 -0.800 34.8-127.5 -88.2 98.2 20.7 291.7 13.4 70 71 A S E 3 S+ 0 0 112 -2,-1.1 3,-0.1 1,-0.3 19,-0.0 -0.190 80.0 1.4 -61.4 131.2 20.0 295.2 14.8 71 72 A G E 3 S+ 0 0 68 1,-0.2 2,-0.4 66,-0.0 -1,-0.3 0.426 96.7 132.3 80.7 -2.4 16.4 295.9 15.7 72 73 A A E < + 0 0 7 -3,-1.9 16,-0.6 16,-0.2 2,-0.3 -0.657 26.4 169.2 -90.8 137.4 15.1 292.4 14.7 73 74 A T E -LM 87 136C 81 63,-2.6 63,-2.8 -2,-0.4 2,-0.3 -0.907 12.5-160.3-136.7 167.6 12.8 290.3 16.9 74 75 A W E +L 86 0C 7 12,-1.9 12,-2.1 -2,-0.3 2,-0.3 -0.974 10.1 179.1-148.0 157.9 10.8 287.2 16.5 75 76 A S E +L 85 0C 85 -2,-0.3 2,-0.3 59,-0.3 10,-0.2 -0.880 12.9 178.1-161.5 127.5 7.9 285.4 18.1 76 77 A I E -L 84 0C 14 8,-2.5 8,-1.8 -2,-0.3 2,-0.3 -0.963 14.2-168.9-135.7 149.5 6.3 282.1 17.1 77 78 A S E -L 83 0C 92 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.991 17.7-144.6-136.7 149.1 3.6 279.8 18.1 78 79 A Y > - 0 0 33 4,-2.5 3,-2.3 -2,-0.3 -40,-0.0 -0.530 31.7 -97.3-108.9 171.1 3.0 276.3 16.8 79 80 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.0 -2,-0.2 142,-0.0 0.786 123.4 55.2 -60.7 -30.6 -0.0 274.1 16.0 80 81 A D T 3 S- 0 0 65 2,-0.0 -1,-0.3 1,-0.0 0, 0.0 0.308 122.0-106.9 -85.9 7.8 0.3 272.3 19.4 81 82 A G S < S+ 0 0 58 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.0 0.308 74.7 136.9 84.6 -0.9 0.3 275.7 21.2 82 83 A S + 0 0 7 30,-0.1 -4,-2.5 -5,-0.1 -1,-0.3 -0.259 29.3 178.0 -72.5 161.0 4.0 275.8 22.1 83 84 A S E +L 77 0C 48 -6,-0.2 29,-2.6 2,-0.0 2,-0.3 -0.987 19.4 177.1-159.0 165.4 5.8 279.1 21.6 84 85 A S E -LN 76 111C 6 -8,-1.8 -8,-2.5 -2,-0.3 2,-0.3 -0.957 6.6-173.5-165.1 166.0 9.1 281.1 21.9 85 86 A S E +LN 75 110C 25 25,-1.7 24,-2.5 -2,-0.3 25,-1.6 -0.980 19.6 116.4-161.0 165.5 10.5 284.5 21.1 86 87 A G E -LN 74 108C 6 -12,-2.1 -12,-1.9 -2,-0.3 22,-0.2 -0.951 52.1 -50.2 169.0-151.0 13.7 286.5 21.2 87 88 A D E -LN 73 107C 26 20,-1.6 20,-2.0 -2,-0.3 2,-0.4 -0.470 47.5-112.1-116.5-177.7 16.2 288.4 19.1 88 89 A V E + N 0 106C 0 -16,-0.6 -19,-2.9 -19,-0.4 2,-0.3 -0.986 23.5 177.4-135.9 132.1 18.3 287.6 16.0 89 90 A Y E -LN 68 105C 35 16,-2.5 16,-3.0 -2,-0.4 2,-0.4 -0.817 23.0-137.3-113.7 157.0 21.9 286.9 15.0 90 91 A T E +LN 67 104C 30 -23,-2.5 -23,-2.3 -2,-0.3 2,-0.3 -0.956 40.7 148.8-104.6 144.4 23.3 286.0 11.7 91 92 A D E - 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