==== 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 31-MAR-03 1OEX . 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,J. . 335 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 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 32.5 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 . 2 0.6 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 . 45 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.9 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 81 0, 0.0 151,-2.2 0, 0.0 152,-0.3 0.000 360.0 360.0 360.0 164.5 27.9 32.8 -2.5 2 2 A T - 0 0 57 149,-0.2 2,-0.3 95,-0.1 169,-0.2 -0.916 360.0-154.2-141.6 165.2 25.8 30.2 -0.6 3 3 A G E -A 170 0A 2 167,-1.8 167,-2.9 -2,-0.3 2,-0.3 -0.981 5.0-171.7-138.0 156.7 25.1 29.3 3.0 4 4 A S E +A 169 0A 64 92,-2.1 2,-0.4 -2,-0.3 165,-0.2 -0.950 10.7 174.9-148.7 122.9 23.9 26.1 4.7 5 5 A A E -A 168 0A 9 163,-2.5 163,-2.6 -2,-0.3 2,-0.4 -0.969 29.2-120.7-133.8 143.6 22.9 25.8 8.3 6 6 A T E -A 167 0A 78 -2,-0.4 2,-0.4 161,-0.2 161,-0.3 -0.683 23.6-158.0 -83.5 134.3 21.6 23.0 10.5 7 7 A T E -A 166 0A 0 159,-1.9 159,-2.4 -2,-0.4 154,-0.2 -0.937 9.7-167.1-114.4 138.3 18.2 23.5 12.1 8 8 A T E -F 18 0B 60 10,-2.5 10,-2.7 -2,-0.4 2,-0.1 -0.961 25.7-109.7-129.5 136.7 17.2 21.5 15.2 9 9 A P E -F 17 0B 20 0, 0.0 8,-0.3 0, 0.0 3,-0.0 -0.380 22.6-139.9 -62.1 144.4 13.9 21.0 17.0 10 10 A I S S+ 0 0 28 6,-2.6 2,-0.3 -2,-0.1 7,-0.1 0.652 77.4 2.8 -79.2 -17.5 13.9 22.7 20.4 11 11 A D S > S- 0 0 53 5,-0.4 3,-1.2 109,-0.0 5,-0.1 -0.898 89.1 -81.0-157.6 178.3 12.0 19.9 22.1 12 12 A S T 3 S+ 0 0 99 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.537 120.8 57.4 -69.6 -8.2 10.6 16.4 21.7 13 13 A L T 3 S- 0 0 30 3,-0.1 -1,-0.2 267,-0.0 -3,-0.0 0.384 105.2-120.8 -99.2 -4.8 7.4 17.8 20.1 14 14 A D < + 0 0 1 -3,-1.2 -2,-0.1 2,-0.1 3,-0.1 0.892 56.7 157.3 56.7 41.9 9.0 19.7 17.2 15 15 A D - 0 0 0 1,-0.2 318,-0.5 317,-0.1 2,-0.3 0.886 66.2 -16.2 -62.5 -38.1 7.3 22.8 18.7 16 16 A A - 0 0 2 -5,-0.1 -6,-2.6 316,-0.1 -5,-0.4 -0.957 65.2-125.0-159.9 166.0 9.9 25.0 17.0 17 17 A Y E -F 9 0B 3 -2,-0.3 17,-0.4 -8,-0.3 2,-0.4 -0.963 16.0-154.5-125.6 140.0 13.3 24.9 15.3 18 18 A I E -F 8 0B 23 -10,-2.7 -10,-2.5 -2,-0.4 15,-0.2 -0.893 6.8-171.1-116.8 147.7 16.5 26.8 16.0 19 19 A T E -G 32 0C 0 13,-2.3 13,-2.6 -2,-0.4 -12,-0.2 -0.999 29.2-111.7-136.4 130.5 19.3 27.7 13.7 20 20 A P E -G 31 0C 42 0, 0.0 76,-0.4 0, 0.0 2,-0.4 -0.428 32.5-172.3 -69.0 144.4 22.6 29.2 14.7 21 21 A V E -G 30 0C 0 9,-2.6 9,-2.5 74,-0.1 2,-0.6 -1.000 16.3-142.0-136.3 128.9 23.3 32.7 13.5 22 22 A Q E -GH 29 94C 56 72,-2.8 72,-2.6 -2,-0.4 2,-0.4 -0.841 23.3-175.7 -95.1 122.4 26.6 34.6 13.9 23 23 A I E > -GH 28 93C 0 5,-2.6 5,-2.2 -2,-0.6 70,-0.2 -0.971 40.0 -9.3-123.3 127.5 26.2 38.3 14.7 24 24 A G T 5S- 0 0 8 68,-2.9 39,-0.1 -2,-0.4 67,-0.1 -0.129 89.5 -39.4 90.1 178.9 28.9 40.9 15.0 25 25 A T T 5S+ 0 0 54 1,-0.2 39,-2.5 2,-0.1 40,-0.2 -0.976 132.0 26.7-131.9 115.7 32.6 41.0 15.1 26 26 A P T 5S- 0 0 98 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.657 121.0-101.2 -63.4 160.2 33.9 38.8 16.6 27 27 A A T 5 - 0 0 63 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.279 30.4-158.5 -59.0 134.8 31.0 36.6 15.9 28 28 A Q E < -G 23 0C 34 -5,-2.2 -5,-2.6 2,-0.0 2,-0.6 -0.980 16.6-142.7-107.5 118.5 28.4 36.1 18.7 29 29 A T E +G 22 0C 71 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.770 25.4 171.8 -93.2 120.9 26.5 32.9 18.0 30 30 A L E -G 21 0C 0 -9,-2.5 -9,-2.6 -2,-0.6 2,-0.7 -0.931 32.5-126.5-120.2 148.8 22.8 33.0 18.9 31 31 A N E -G 20 0C 58 -2,-0.3 91,-2.9 -11,-0.2 92,-0.4 -0.851 36.5-172.6 -97.3 110.2 20.1 30.3 18.1 32 32 A L E -G 19 0C 0 -13,-2.6 -13,-2.3 -2,-0.7 2,-0.8 -0.750 28.6-121.3-108.4 153.7 17.3 31.9 16.3 33 33 A D E -i 124 0C 2 90,-2.4 92,-2.2 -2,-0.3 2,-0.6 -0.816 28.3-139.5 -89.6 107.7 13.9 30.8 15.2 34 34 A F E -i 125 0C 1 -2,-0.8 2,-0.6 -17,-0.4 92,-0.2 -0.628 24.5-168.7 -72.6 120.5 13.8 31.2 11.4 35 35 A D E > -i 126 0C 0 90,-2.4 92,-2.4 -2,-0.6 3,-1.5 -0.885 26.1-177.4-124.6 97.9 10.3 32.5 10.8 36 36 A T T 3 S+ 0 0 0 -2,-0.6 158,-0.5 1,-0.3 93,-0.2 0.540 85.1 68.5 -74.3 0.4 8.9 32.7 7.3 37 37 A G T 3 S+ 0 0 0 91,-0.1 299,-2.5 156,-0.1 2,-0.3 0.320 105.5 31.9 -95.3 6.2 5.8 34.3 8.9 38 38 A S < - 0 0 0 -3,-1.5 90,-2.7 297,-0.2 89,-0.8 -0.926 64.0-139.5-153.3 179.7 7.5 37.6 9.9 39 39 A S + 0 0 2 93,-0.3 2,-0.4 -2,-0.3 94,-0.1 0.121 62.2 102.0-140.7 23.7 10.2 39.9 8.7 40 40 A D - 0 0 0 93,-0.1 86,-0.9 -5,-0.1 2,-0.8 -0.918 51.5-154.1-113.8 136.4 12.2 41.1 11.8 41 41 A L E +J 125 0C 5 -2,-0.4 65,-2.8 63,-0.3 2,-0.3 -0.938 36.1 163.4-101.3 106.1 15.6 39.8 12.9 42 42 A W E -Jk 124 106C 0 82,-1.4 82,-2.0 -2,-0.8 2,-0.3 -0.937 15.4-168.2-130.0 151.6 15.5 40.5 16.6 43 43 A V E -Jk 123 107C 0 63,-2.4 65,-2.4 -2,-0.3 80,-0.2 -0.970 32.2-104.1-138.9 149.1 17.5 39.2 19.5 44 44 A F + 0 0 0 78,-2.7 14,-2.5 -2,-0.3 2,-0.3 -0.466 57.6 176.9 -56.8 144.8 17.8 39.0 23.2 45 45 A S B > -o 58 0D 2 63,-0.4 3,-1.6 12,-0.3 14,-0.2 -0.894 51.1 -92.8-150.9 167.5 20.5 41.5 24.1 46 46 A S T 3 S+ 0 0 57 12,-2.2 13,-0.1 -2,-0.3 4,-0.1 0.653 123.3 60.3 -59.5 -17.2 22.5 43.3 26.8 47 47 A E T 3 S+ 0 0 54 11,-0.3 -1,-0.2 61,-0.1 2,-0.2 0.603 79.5 111.2 -79.8 -19.9 19.8 45.9 26.5 48 48 A T S < S- 0 0 10 -3,-1.6 62,-0.2 1,-0.1 61,-0.2 -0.457 87.2 -95.2 -69.7 137.5 17.0 43.5 27.5 49 49 A T > - 0 0 58 60,-2.4 3,-2.1 -2,-0.2 4,-0.4 -0.215 37.1-131.9 -45.3 123.0 15.4 44.1 30.9 50 50 A A G > S+ 0 0 84 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.843 103.3 56.8 -59.7 -40.1 17.3 41.8 33.1 51 51 A S G 3 S+ 0 0 105 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.665 105.8 54.3 -65.0 -14.1 14.3 40.2 34.8 52 52 A E G < 0 0 54 -3,-2.1 -1,-0.3 65,-0.0 -2,-0.2 0.373 360.0 360.0 -99.1 -0.3 13.0 39.3 31.3 53 53 A V < 0 0 69 -3,-1.6 63,-0.1 -4,-0.4 66,-0.0 -0.876 360.0 360.0-100.0 360.0 16.2 37.4 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 55 A Q 0 0 54 0, 0.0 2,-0.4 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 156.8 19.1 32.7 26.5 56 56 A T - 0 0 73 63,-0.2 2,-0.3 -25,-0.1 -12,-0.3 -0.766 360.0-146.0 -84.9 133.6 22.3 33.8 24.9 57 57 A I - 0 0 60 -2,-0.4 2,-0.5 -14,-0.1 -12,-0.3 -0.751 9.7-127.1-108.3 151.4 22.4 37.5 24.3 58 58 A Y B -o 45 0D 0 -14,-2.5 -12,-2.2 -2,-0.3 -11,-0.3 -0.826 18.8-160.9 -89.1 131.8 23.8 39.8 21.7 59 59 A T > - 0 0 13 -2,-0.5 3,-2.0 -14,-0.2 4,-0.3 -0.899 4.7-170.2-112.0 99.3 26.0 42.6 23.1 60 60 A P G > S+ 0 0 6 0, 0.0 3,-2.0 0, 0.0 6,-0.3 0.862 83.7 63.1 -61.2 -33.3 26.3 45.4 20.5 61 61 A S G 3 S+ 0 0 112 1,-0.3 -2,-0.0 3,-0.0 3,-0.0 0.514 100.2 54.4 -71.7 0.0 29.1 47.1 22.5 62 62 A K G < S+ 0 0 144 -3,-2.0 2,-0.6 -36,-0.0 -1,-0.3 0.365 93.3 85.5-107.8 5.3 31.3 44.1 22.0 63 63 A S X - 0 0 10 -3,-2.0 3,-1.1 -4,-0.3 -39,-0.1 -0.897 60.3-161.2-110.5 117.6 30.9 44.1 18.2 64 64 A T T 3 S+ 0 0 118 -39,-2.5 -1,-0.1 -2,-0.6 -3,-0.0 0.727 93.2 51.7 -69.4 -18.4 33.2 46.4 16.3 65 65 A T T 3 S+ 0 0 50 -40,-0.2 -1,-0.2 27,-0.1 2,-0.2 0.482 83.0 112.1 -96.6 -3.0 30.9 46.3 13.3 66 66 A A < - 0 0 24 -3,-1.1 2,-0.4 -6,-0.3 25,-0.2 -0.489 42.3-177.1 -74.1 137.8 27.7 47.3 15.1 67 67 A K E -L 90 0C 147 23,-2.2 23,-2.4 -2,-0.2 2,-0.4 -1.000 26.7-123.3-130.1 130.5 26.3 50.7 14.3 68 68 A L E -L 89 0C 100 -2,-0.4 2,-1.0 21,-0.2 21,-0.3 -0.652 19.4-134.0 -71.2 129.1 23.2 52.2 16.0 69 69 A L E > - 0 0 55 19,-3.1 3,-1.9 -2,-0.4 19,-0.4 -0.747 34.6-125.1 -82.6 104.1 20.6 53.1 13.5 70 70 A S E 3 S+ 0 0 115 -2,-1.0 3,-0.1 1,-0.3 -1,-0.0 -0.263 81.8 0.6 -61.0 131.3 19.8 56.6 14.9 71 71 A G E 3 S+ 0 0 68 1,-0.2 2,-0.3 66,-0.0 -1,-0.3 0.322 96.7 133.4 79.8 -6.2 16.2 57.2 15.8 72 72 A A E < + 0 0 8 -3,-1.9 16,-0.6 16,-0.2 2,-0.3 -0.586 26.2 170.6 -85.9 138.2 15.0 53.7 14.8 73 73 A T E -LM 87 136C 81 63,-2.5 63,-2.7 -2,-0.3 2,-0.3 -0.893 12.5-159.0-134.8 165.8 12.7 51.7 16.9 74 74 A W E +L 86 0C 7 12,-1.7 12,-2.0 -2,-0.3 2,-0.3 -0.980 9.9 178.1-144.8 157.4 10.8 48.4 16.5 75 75 A S E +L 85 0C 84 -2,-0.3 2,-0.3 59,-0.2 10,-0.2 -0.868 11.2 175.7-164.8 122.6 7.8 46.7 18.1 76 76 A I E -L 84 0C 4 8,-2.4 8,-1.8 -2,-0.3 2,-0.3 -0.959 12.1-172.3-135.5 149.4 6.2 43.4 17.0 77 77 A S E -L 83 0C 44 260,-0.4 260,-2.6 -2,-0.3 2,-0.2 -0.965 15.4-148.0-137.8 155.7 3.5 41.0 18.2 78 78 A Y B > -P 336 0E 2 4,-2.1 3,-2.3 -2,-0.3 258,-0.2 -0.709 32.1 -97.0-124.4 167.0 2.7 37.5 16.9 79 79 A G T 3 S+ 0 0 40 256,-2.2 256,-0.2 1,-0.3 257,-0.1 0.801 120.5 56.5 -57.1 -34.5 -0.4 35.3 16.4 80 80 A D T 3 S- 0 0 64 254,-1.9 -1,-0.3 255,-0.2 255,-0.1 0.407 122.1-104.6 -81.1 4.0 0.2 33.5 19.7 81 81 A G S < S+ 0 0 61 -3,-2.3 -2,-0.1 1,-0.3 33,-0.1 0.329 76.0 136.2 93.8 -8.0 0.2 36.8 21.6 82 82 A S + 0 0 4 252,-0.2 -4,-2.1 30,-0.1 2,-0.3 -0.244 27.3 173.7 -72.4 160.3 4.0 37.1 22.1 83 83 A S E +L 77 0C 47 -6,-0.2 29,-2.5 2,-0.0 2,-0.3 -0.990 16.9 178.4-159.7 165.2 5.8 40.4 21.6 84 84 A S E -LN 76 111C 6 -8,-1.8 -8,-2.4 -2,-0.3 2,-0.3 -0.970 5.7-175.8-164.7 166.1 9.0 42.3 21.9 85 85 A S E +LN 75 110C 26 25,-1.9 24,-2.6 -2,-0.3 25,-1.6 -0.991 19.2 114.6-161.9 164.4 10.4 45.8 21.1 86 86 A G E -LN 74 108C 6 -12,-2.0 -12,-1.7 -2,-0.3 22,-0.2 -0.952 53.0 -47.1 167.9-147.9 13.5 47.9 21.2 87 87 A D E -LN 73 107C 27 20,-1.5 20,-1.9 -2,-0.3 2,-0.4 -0.506 47.8-113.7-116.8-177.7 16.1 49.7 19.1 88 88 A V E + N 0 106C 0 -16,-0.6 -19,-3.1 -19,-0.4 2,-0.3 -0.985 22.7 178.4-134.7 131.7 18.1 48.9 16.0 89 89 A Y E -LN 68 105C 35 16,-2.5 16,-3.2 -2,-0.4 2,-0.4 -0.845 23.4-136.9-114.4 154.2 21.8 48.2 15.1 90 90 A T E +LN 67 104C 30 -23,-2.4 -23,-2.2 -2,-0.3 2,-0.3 -0.927 41.1 151.1-100.1 143.3 23.2 47.3 11.7 91 91 A D E - 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