==== 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 1GVV . 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 . 328 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 69.2 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 . 104 31.7 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 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 5.5 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 3 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 3 5 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 59 0, 0.0 151,-2.4 0, 0.0 152,-0.3 0.000 360.0 360.0 360.0 166.4 27.6 271.1 -2.5 2 2 A T - 0 0 58 149,-0.2 2,-0.3 95,-0.1 169,-0.2 -0.916 360.0-155.8-143.7 165.4 25.6 268.6 -0.6 3 3 A G E -A 170 0A 2 167,-1.9 167,-2.9 -2,-0.3 2,-0.3 -0.981 4.1-171.1-140.7 155.3 24.9 267.6 3.0 4 4 A S E +A 169 0A 64 92,-2.1 2,-0.3 -2,-0.3 165,-0.2 -0.941 12.0 174.4-147.8 121.0 23.8 264.3 4.7 5 5 A A E -A 168 0A 9 163,-2.7 163,-2.6 -2,-0.3 2,-0.4 -0.964 28.6-120.7-132.2 145.8 22.8 264.1 8.4 6 6 A T E -A 167 0A 85 -2,-0.3 2,-0.4 161,-0.2 161,-0.3 -0.703 22.7-157.7 -87.4 134.2 21.4 261.3 10.5 7 7 A T E -A 166 0A 0 159,-1.8 159,-2.7 -2,-0.4 154,-0.2 -0.934 9.3-166.8-115.9 137.9 18.1 261.9 12.2 8 8 A T E -F 18 0B 57 10,-2.5 10,-2.7 -2,-0.4 152,-0.0 -0.963 26.7-107.7-128.4 138.7 17.1 259.9 15.3 9 9 A P E -F 17 0B 23 0, 0.0 8,-0.3 0, 0.0 3,-0.0 -0.357 23.8-139.4 -61.0 143.4 13.8 259.4 17.1 10 10 A I S S+ 0 0 25 6,-2.6 2,-0.3 -2,-0.0 7,-0.1 0.689 77.7 0.4 -77.2 -19.7 13.8 261.3 20.5 11 11 A D S > S- 0 0 60 5,-0.4 3,-1.3 109,-0.0 5,-0.1 -0.890 89.3 -79.5-157.6 179.8 12.0 258.5 22.3 12 12 A S T 3 S+ 0 0 98 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 0.587 121.6 55.8 -71.7 -11.0 10.6 255.0 22.0 13 13 A L T 3 S- 0 0 48 267,-0.0 -1,-0.3 3,-0.0 150,-0.0 0.384 106.0-119.2-100.0 0.2 7.4 256.3 20.4 14 14 A D < + 0 0 0 -3,-1.3 -2,-0.1 2,-0.1 3,-0.1 0.901 54.9 159.2 60.2 39.7 8.9 258.2 17.5 15 15 A D - 0 0 52 1,-0.2 2,-0.3 291,-0.0 291,-0.1 0.862 67.5 -22.3 -62.4 -33.6 7.3 261.4 18.9 16 16 A A - 0 0 9 -5,-0.1 -6,-2.6 206,-0.1 -5,-0.4 -0.954 64.9-119.0-164.7 170.9 9.8 263.5 17.0 17 17 A Y E -F 9 0B 3 -2,-0.3 17,-0.4 -8,-0.3 2,-0.4 -0.961 18.6-153.5-125.1 139.3 13.2 263.2 15.3 18 18 A I E -F 8 0B 15 -10,-2.7 -10,-2.5 -2,-0.4 15,-0.2 -0.896 7.0-170.3-116.0 149.3 16.3 265.2 16.1 19 19 A T E -G 32 0C 0 13,-2.4 13,-2.6 -2,-0.4 -12,-0.2 -0.997 29.6-110.7-134.3 134.4 19.2 266.0 13.8 20 20 A P E -G 31 0C 45 0, 0.0 2,-0.4 0, 0.0 76,-0.4 -0.418 33.5-172.6 -69.7 143.5 22.5 267.5 14.8 21 21 A V E -G 30 0C 0 9,-2.4 9,-2.6 74,-0.1 2,-0.6 -0.999 16.2-142.4-137.1 130.6 23.2 271.1 13.6 22 22 A Q E -GH 29 94C 57 72,-2.7 72,-2.7 -2,-0.4 2,-0.5 -0.850 22.7-174.9 -97.4 122.3 26.4 272.9 14.0 23 23 A I E > -GH 28 93C 0 5,-2.5 5,-2.4 -2,-0.6 70,-0.2 -0.962 40.3 -9.5-122.3 129.1 26.0 276.6 14.9 24 24 A G T 5S- 0 0 8 68,-3.1 39,-0.1 -2,-0.5 67,-0.1 -0.179 90.1 -39.2 90.9 179.6 28.7 279.2 15.1 25 25 A T T 5S+ 0 0 54 1,-0.2 39,-2.7 2,-0.1 40,-0.3 -0.976 133.5 25.0-132.9 116.3 32.4 279.4 15.2 26 26 A P T 5S- 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.662 120.1-103.6 -66.6 160.3 33.6 277.2 16.8 27 27 A A T 5 - 0 0 59 -2,-0.2 2,-0.6 -5,-0.1 -3,-0.2 -0.308 27.5-157.6 -58.5 136.8 30.6 275.0 16.2 28 28 A Q E < -G 23 0C 33 -5,-2.4 -5,-2.5 2,-0.0 2,-0.6 -0.972 19.3-142.0-107.6 121.2 28.1 274.5 18.9 29 29 A T E +G 22 0C 68 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.770 25.5 173.8 -95.5 120.8 26.3 271.3 18.2 30 30 A L E -G 21 0C 0 -9,-2.6 -9,-2.4 -2,-0.6 2,-0.7 -0.918 32.1-126.5-120.1 146.2 22.6 271.3 19.0 31 31 A N E -G 20 0C 58 -2,-0.3 91,-2.9 -11,-0.2 92,-0.4 -0.869 37.6-173.5 -95.8 112.7 20.0 268.6 18.2 32 32 A L E -G 19 0C 0 -13,-2.6 -13,-2.4 -2,-0.7 2,-0.8 -0.767 29.5-119.5-110.3 151.1 17.2 270.3 16.4 33 33 A D E -i 124 0C 17 90,-2.5 92,-2.3 -2,-0.3 2,-0.5 -0.811 29.0-139.4 -86.0 108.0 13.8 269.1 15.2 34 34 A F E -i 125 0C 1 -2,-0.8 2,-0.6 -17,-0.4 92,-0.2 -0.612 25.3-168.6 -73.5 121.4 13.8 269.5 11.4 35 35 A D E > -i 126 0C 9 90,-2.8 92,-2.6 -2,-0.5 3,-1.5 -0.876 28.5-177.3-127.9 99.4 10.4 270.8 10.7 36 36 A T T 3 S+ 0 0 0 -2,-0.6 158,-0.5 1,-0.3 93,-0.1 0.525 86.1 67.2 -72.7 -2.9 8.9 271.0 7.2 37 37 A G T 3 S+ 0 0 13 91,-0.1 2,-0.3 156,-0.1 -1,-0.3 0.195 104.6 34.1 -99.4 12.1 5.8 272.6 8.8 38 38 A S < - 0 0 9 -3,-1.5 90,-2.6 87,-0.1 89,-0.9 -0.947 63.3-140.7-155.0 177.8 7.5 275.8 9.9 39 39 A S + 0 0 2 93,-0.3 2,-0.4 -2,-0.3 94,-0.1 0.090 62.6 100.4-136.1 21.4 10.2 278.3 8.8 40 40 A D - 0 0 0 93,-0.1 86,-0.9 -5,-0.1 2,-0.8 -0.931 52.0-154.0-113.1 136.8 12.1 279.4 11.9 41 41 A L E +J 125 0C 5 -2,-0.4 65,-2.9 63,-0.3 2,-0.3 -0.945 36.2 163.4-101.2 104.5 15.5 278.1 13.0 42 42 A W E -Jk 124 106C 0 82,-1.5 82,-2.0 -2,-0.8 2,-0.3 -0.946 15.8-168.4-128.3 152.4 15.4 278.8 16.7 43 43 A V E -Jk 123 107C 0 63,-2.4 65,-2.4 -2,-0.3 80,-0.3 -0.972 32.4-102.9-137.9 148.9 17.4 277.5 19.6 44 44 A F - 0 0 0 78,-2.6 14,-2.5 -2,-0.3 2,-0.3 -0.482 57.8-179.1 -56.1 143.7 17.6 277.3 23.4 45 45 A S B > -o 58 0D 2 63,-0.4 3,-1.6 12,-0.3 14,-0.2 -0.886 49.2 -96.1-147.0 169.0 20.2 279.9 24.3 46 46 A S T 3 S+ 0 0 57 12,-2.2 13,-0.1 -2,-0.3 4,-0.1 0.667 123.1 60.2 -62.1 -14.3 22.3 281.6 26.9 47 47 A E T 3 S+ 0 0 42 11,-0.4 -1,-0.3 61,-0.2 2,-0.2 0.563 79.8 109.8 -85.8 -14.9 19.5 284.3 26.7 48 48 A T S < S- 0 0 10 -3,-1.6 62,-0.2 1,-0.1 61,-0.2 -0.448 87.2 -94.8 -70.9 134.7 16.7 281.9 27.7 49 49 A T > - 0 0 58 60,-2.5 3,-2.1 -2,-0.2 4,-0.4 -0.208 36.7-130.3 -43.7 125.6 15.2 282.4 31.1 50 50 A A G > S+ 0 0 84 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.851 103.9 55.4 -60.2 -38.3 17.1 280.1 33.4 51 51 A S G 3 S+ 0 0 103 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.662 105.3 56.6 -67.6 -15.2 14.2 278.5 35.0 52 52 A E G < 0 0 54 -3,-2.1 -1,-0.3 -4,-0.0 -2,-0.2 0.419 360.0 360.0 -94.2 -3.4 12.9 277.5 31.5 53 53 A V < 0 0 65 -3,-1.6 63,-0.1 -4,-0.4 66,-0.0 -0.906 360.0 360.0-100.5 360.0 16.0 275.7 30.6 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 0.000 360.0 360.0 360.0 157.0 18.8 271.1 26.8 56 57 A T - 0 0 73 63,-0.2 2,-0.3 -25,-0.1 -12,-0.3 -0.760 360.0-147.2 -86.0 137.0 22.0 272.1 25.1 57 58 A I - 0 0 60 -2,-0.4 2,-0.5 -14,-0.1 -12,-0.3 -0.761 10.6-127.7-112.0 152.8 22.1 275.9 24.5 58 59 A Y B -o 45 0D 0 -14,-2.5 -12,-2.2 -2,-0.3 -11,-0.4 -0.847 17.9-161.8 -90.1 130.8 23.6 278.2 21.9 59 60 A T > - 0 0 15 -2,-0.5 3,-2.0 -14,-0.2 4,-0.3 -0.911 3.3-168.6-114.5 98.5 25.7 281.0 23.4 60 61 A P G > S+ 0 0 7 0, 0.0 3,-1.9 0, 0.0 6,-0.3 0.858 85.2 63.1 -59.7 -32.9 26.1 283.7 20.7 61 62 A S G 3 S+ 0 0 111 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.572 99.8 55.1 -70.8 -7.4 28.8 285.5 22.7 62 63 A K G < S+ 0 0 149 -3,-2.0 2,-0.6 -36,-0.0 -1,-0.3 0.402 93.4 83.8 -97.0 -0.6 31.0 282.4 22.2 63 64 A S X - 0 0 10 -3,-1.9 3,-1.1 -4,-0.3 -39,-0.1 -0.903 61.2-160.3-108.1 121.3 30.6 282.4 18.4 64 65 A T T 3 S+ 0 0 117 -39,-2.7 -1,-0.1 -2,-0.6 -3,-0.0 0.686 93.5 51.0 -71.1 -18.2 33.0 284.7 16.5 65 66 A T T 3 S+ 0 0 49 -40,-0.3 -1,-0.2 27,-0.1 2,-0.2 0.462 82.1 114.3 -98.5 -2.1 30.7 284.6 13.4 66 67 A A < - 0 0 24 -3,-1.1 2,-0.4 -6,-0.3 25,-0.2 -0.491 42.8-174.6 -73.1 135.6 27.5 285.6 15.3 67 68 A K E -L 90 0C 145 23,-2.3 23,-2.6 -2,-0.2 2,-0.3 -1.000 25.8-123.6-127.5 131.2 26.1 289.0 14.3 68 69 A L E -L 89 0C 102 -2,-0.4 2,-1.1 21,-0.2 21,-0.3 -0.542 18.3-136.7 -69.8 130.0 23.1 290.6 16.0 69 70 A L E > - 0 0 53 19,-2.9 3,-2.0 -2,-0.3 19,-0.4 -0.763 35.1-125.6 -87.1 102.0 20.4 291.4 13.5 70 71 A S E 3 S+ 0 0 113 -2,-1.1 3,-0.1 1,-0.3 19,-0.0 -0.268 80.7 1.0 -64.0 132.6 19.6 294.8 14.9 71 72 A G E 3 S+ 0 0 65 1,-0.2 2,-0.3 66,-0.0 -1,-0.3 0.362 96.7 132.9 81.8 -3.4 16.0 295.5 15.8 72 73 A A E < + 0 0 8 -3,-2.0 16,-0.6 16,-0.2 2,-0.3 -0.630 26.2 169.7 -90.2 139.5 14.8 292.0 14.8 73 74 A T E -LM 87 136C 80 63,-2.5 63,-2.7 -2,-0.3 2,-0.3 -0.904 12.4-160.0-137.2 167.5 12.6 289.9 17.0 74 75 A W E +L 86 0C 7 12,-1.9 12,-2.0 -2,-0.3 2,-0.3 -0.984 10.8 178.3-147.2 157.7 10.6 286.7 16.6 75 76 A S E -L 85 0C 77 59,-0.3 2,-0.4 -2,-0.3 10,-0.2 -0.887 12.0-177.5-161.5 128.9 7.7 284.9 18.2 76 77 A I E -L 84 0C 14 8,-2.5 8,-1.6 -2,-0.3 2,-0.4 -0.955 11.5-167.5-136.0 146.6 6.2 281.6 17.1 77 78 A S E -L 83 0C 96 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.997 14.2-150.9-138.2 139.3 3.3 279.4 18.2 78 79 A Y > - 0 0 34 4,-2.8 3,-2.2 -2,-0.4 -40,-0.0 -0.561 30.6-103.8-107.3 163.8 2.8 275.9 17.0 79 80 A G T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.821 118.7 57.7 -59.9 -32.6 -0.3 273.8 16.5 80 81 A D T 3 S- 0 0 132 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.431 123.0-103.2 -79.8 3.4 0.3 271.8 19.8 81 82 A G S < S+ 0 0 56 -3,-2.2 -2,-0.1 1,-0.3 33,-0.1 0.282 77.7 136.3 94.2 -5.8 0.3 275.1 21.8 82 83 A S + 0 0 7 30,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.275 27.1 171.2 -71.8 158.8 4.0 275.4 22.2 83 84 A S E +L 77 0C 45 -6,-0.2 29,-2.5 -3,-0.1 2,-0.3 -0.981 17.0 177.9-159.8 166.2 5.7 278.7 21.7 84 85 A S E -LN 76 111C 2 -8,-1.6 -8,-2.5 -2,-0.3 2,-0.3 -0.963 5.7-174.4-164.9 166.2 8.9 280.7 22.0 85 86 A S E +LN 75 110C 29 25,-1.8 24,-2.6 -2,-0.3 25,-1.6 -0.986 19.9 116.0-160.9 164.7 10.3 284.1 21.3 86 87 A G E -LN 74 108C 7 -12,-2.0 -12,-1.9 -2,-0.3 22,-0.2 -0.952 53.2 -49.8 169.2-147.8 13.4 286.2 21.3 87 88 A D E -LN 73 107C 26 20,-1.4 20,-1.9 -2,-0.3 2,-0.4 -0.464 48.1-112.8-117.9-177.1 16.0 288.1 19.3 88 89 A V E + N 0 106C 0 -16,-0.6 -19,-2.9 -19,-0.4 2,-0.3 -0.986 23.0 179.4-136.6 133.1 18.0 287.2 16.1 89 90 A Y E -LN 68 105C 41 16,-2.6 16,-3.1 -2,-0.4 2,-0.4 -0.793 22.7-137.4-114.0 154.8 21.6 286.5 15.2 90 91 A T E +LN 67 104C 26 -23,-2.6 -23,-2.3 -2,-0.3 2,-0.3 -0.960 41.1 150.4-103.8 144.1 23.0 285.6 11.8 91 92 A D E - 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