==== 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 1GVW . 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) . 13510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 69.3 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 31.6 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 . 39 11.9 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 . 3 3 5 4 3 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 2 0 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 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,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 164.8 28.6 32.6 -2.5 2 2 A T - 0 0 61 149,-0.2 2,-0.3 95,-0.1 169,-0.2 -0.923 360.0-155.2-141.4 164.7 26.6 30.0 -0.6 3 3 A G E -A 170 0A 2 167,-1.8 167,-2.7 -2,-0.3 2,-0.3 -0.986 4.5-172.1-138.6 155.4 25.8 29.0 3.0 4 4 A S E +A 169 0A 65 92,-2.0 2,-0.3 -2,-0.3 165,-0.2 -0.950 11.8 174.7-149.1 119.8 24.7 25.8 4.7 5 5 A A E -A 168 0A 9 163,-2.5 163,-2.4 -2,-0.3 2,-0.4 -0.961 29.0-119.5-130.8 146.4 23.6 25.5 8.4 6 6 A T E -A 167 0A 81 -2,-0.3 2,-0.4 161,-0.2 161,-0.3 -0.689 22.8-157.6 -85.2 133.4 22.1 22.7 10.6 7 7 A T E -A 166 0A 0 159,-1.8 159,-2.4 -2,-0.4 12,-0.2 -0.939 10.3-167.4-113.9 134.9 18.7 23.2 12.3 8 8 A T E -F 18 0B 62 10,-2.4 10,-2.5 -2,-0.4 152,-0.0 -0.959 26.1-109.5-127.7 137.2 17.7 21.2 15.4 9 9 A P E -F 17 0B 25 0, 0.0 8,-0.3 0, 0.0 3,-0.0 -0.358 23.0-140.6 -60.1 143.6 14.3 20.7 17.3 10 10 A I S S+ 0 0 29 6,-2.4 2,-0.2 -2,-0.0 7,-0.1 0.667 76.8 1.9 -78.8 -17.5 14.3 22.5 20.7 11 11 A D S > S- 0 0 63 5,-0.4 3,-1.2 109,-0.0 5,-0.1 -0.893 88.9 -80.8-159.6 177.7 12.5 19.6 22.5 12 12 A S T 3 S+ 0 0 100 -2,-0.2 -2,-0.0 1,-0.2 0, 0.0 0.598 120.6 55.2 -74.8 -9.5 11.0 16.1 22.1 13 13 A L T 3 S- 0 0 48 267,-0.0 -1,-0.2 3,-0.0 -3,-0.0 0.359 106.1-118.7 -99.8 1.5 7.7 17.4 20.5 14 14 A D < + 0 0 0 -3,-1.2 -2,-0.1 2,-0.1 3,-0.1 0.876 55.9 158.4 58.6 42.5 9.3 19.4 17.6 15 15 A D - 0 0 26 1,-0.2 2,-0.3 291,-0.0 291,-0.1 0.864 67.5 -18.9 -65.6 -33.6 7.6 22.6 19.1 16 16 A A - 0 0 3 -5,-0.1 -6,-2.4 290,-0.0 -5,-0.4 -0.952 65.0-121.0-162.1 170.5 10.2 24.8 17.2 17 17 A Y E -F 9 0B 7 -2,-0.3 17,-0.4 -8,-0.3 2,-0.3 -0.968 17.3-153.9-125.8 140.6 13.7 24.6 15.5 18 18 A I E -F 8 0B 25 -10,-2.5 -10,-2.4 -2,-0.4 15,-0.2 -0.884 7.4-171.7-117.2 147.4 17.0 26.5 16.3 19 19 A T E -G 32 0C 0 13,-2.1 13,-2.4 -2,-0.3 -12,-0.2 -0.999 29.5-110.5-135.2 134.4 19.9 27.4 13.9 20 20 A P E -G 31 0C 46 0, 0.0 2,-0.4 0, 0.0 76,-0.4 -0.419 32.7-172.2 -71.3 144.1 23.3 28.9 14.9 21 21 A V E -G 30 0C 0 9,-2.5 9,-2.4 74,-0.1 2,-0.6 -1.000 15.8-142.9-136.7 129.4 24.0 32.5 13.8 22 22 A Q E -GH 29 94C 58 72,-2.6 72,-2.5 -2,-0.4 2,-0.4 -0.856 22.2-174.7 -95.4 122.7 27.4 34.5 14.1 23 23 A I E > -GH 28 93C 0 5,-2.6 5,-2.2 -2,-0.6 70,-0.2 -0.960 40.4 -11.4-122.1 127.4 27.0 38.2 15.0 24 24 A G T 5S- 0 0 8 68,-2.9 39,-0.1 -2,-0.4 67,-0.1 -0.135 88.7 -39.1 90.3-178.9 29.8 40.8 15.2 25 25 A T T 5S+ 0 0 55 2,-0.1 39,-2.5 1,-0.1 40,-0.2 -0.979 131.9 27.1-133.9 116.2 33.6 40.9 15.3 26 26 A P T 5S- 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.636 121.3-102.4 -62.8 157.8 35.0 38.7 16.9 27 27 A A T 5 - 0 0 64 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.333 30.0-158.3 -55.8 135.1 31.9 36.4 16.2 28 28 A Q E < -G 23 0C 36 -5,-2.2 -5,-2.6 -4,-0.0 2,-0.6 -0.973 17.1-143.4-109.4 118.3 29.3 36.0 19.0 29 29 A T E +G 22 0C 76 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.752 24.9 172.4 -92.7 122.4 27.3 32.7 18.3 30 30 A L E -G 21 0C 0 -9,-2.4 -9,-2.5 -2,-0.6 2,-0.7 -0.929 32.4-125.6-120.0 150.4 23.5 32.8 19.2 31 31 A N E -G 20 0C 61 -2,-0.3 91,-2.8 -11,-0.2 92,-0.4 -0.866 36.7-172.0 -99.7 112.3 20.8 30.1 18.4 32 32 A L E -G 19 0C 0 -13,-2.4 -13,-2.1 -2,-0.7 2,-0.8 -0.759 28.4-120.3-109.5 150.0 17.9 31.8 16.5 33 33 A D E -i 124 0C 9 90,-2.4 92,-2.3 -2,-0.3 2,-0.5 -0.810 28.6-142.0 -85.8 104.1 14.3 30.6 15.4 34 34 A F E -i 125 0C 2 -2,-0.8 2,-0.5 -17,-0.4 92,-0.2 -0.625 24.6-170.5 -71.4 121.0 14.3 30.9 11.6 35 35 A D E > -i 126 0C 9 90,-2.6 92,-2.5 -2,-0.5 3,-1.4 -0.879 28.3-176.0-131.6 101.3 10.7 32.2 10.8 36 36 A T T 3 S+ 0 0 0 -2,-0.5 158,-0.5 1,-0.2 93,-0.1 0.501 86.3 65.9 -72.0 -1.7 9.2 32.5 7.3 37 37 A G T 3 S+ 0 0 14 91,-0.1 2,-0.3 156,-0.1 -1,-0.2 0.236 105.5 36.4-100.3 7.6 6.0 34.1 8.9 38 38 A S < - 0 0 8 -3,-1.4 90,-2.6 87,-0.1 89,-0.9 -0.936 64.0-142.6-151.1 176.5 7.7 37.3 10.1 39 39 A S + 0 0 3 93,-0.3 2,-0.4 -2,-0.3 94,-0.1 0.144 60.5 101.6-138.3 23.7 10.5 39.8 9.0 40 40 A D - 0 0 0 93,-0.1 86,-0.9 92,-0.1 2,-0.7 -0.916 51.3-153.7-114.1 137.1 12.5 41.0 12.1 41 41 A L E +J 125 0C 7 -2,-0.4 65,-2.7 84,-0.3 2,-0.3 -0.947 36.5 163.4-101.8 101.4 16.0 39.7 13.2 42 42 A W E -Jk 124 106C 0 82,-1.5 82,-1.7 -2,-0.7 2,-0.3 -0.944 15.5-169.6-127.1 150.0 15.9 40.4 17.0 43 43 A V E -Jk 123 107C 0 63,-2.3 65,-2.3 -2,-0.3 80,-0.2 -0.973 32.3-104.5-137.0 148.2 18.1 39.1 19.8 44 44 A F + 0 0 1 78,-2.5 14,-2.3 -2,-0.3 2,-0.3 -0.477 57.5 177.5 -56.6 143.4 18.4 38.9 23.7 45 45 A S B > -o 58 0D 2 63,-0.4 3,-1.4 12,-0.3 14,-0.2 -0.879 50.6 -91.3-148.0 170.8 21.1 41.5 24.5 46 46 A S T 3 S+ 0 0 60 12,-2.0 13,-0.1 -2,-0.3 4,-0.1 0.640 124.1 59.3 -59.3 -16.1 23.2 43.3 27.2 47 47 A E T 3 S+ 0 0 57 11,-0.3 -1,-0.2 61,-0.1 2,-0.2 0.562 79.0 110.6 -85.7 -16.3 20.3 45.9 27.0 48 48 A T S < S- 0 0 11 -3,-1.4 62,-0.2 1,-0.1 61,-0.2 -0.454 87.0 -94.2 -68.7 134.8 17.5 43.5 28.0 49 49 A T > - 0 0 60 60,-2.3 3,-1.9 -2,-0.2 4,-0.4 -0.215 37.4-131.5 -43.2 124.1 15.9 44.1 31.4 50 50 A A G > S+ 0 0 88 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.856 103.3 56.4 -61.5 -36.4 17.9 41.7 33.7 51 51 A S G 3 S+ 0 0 106 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.688 105.1 54.2 -65.4 -17.2 14.8 40.1 35.4 52 52 A E G < 0 0 55 -3,-1.9 -1,-0.3 65,-0.0 -2,-0.2 0.414 360.0 360.0 -95.4 -1.2 13.4 39.1 31.9 53 53 A V < 0 0 69 -3,-1.5 63,-0.1 -4,-0.4 64,-0.0 -0.892 360.0 360.0 -99.4 360.0 16.7 37.2 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 56 0, 0.0 2,-0.4 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 154.9 19.6 32.6 27.0 56 57 A T - 0 0 76 63,-0.2 2,-0.3 -25,-0.1 -12,-0.3 -0.771 360.0-146.0 -85.2 136.4 22.9 33.6 25.4 57 58 A I - 0 0 63 -2,-0.4 2,-0.4 -14,-0.1 -12,-0.3 -0.773 9.6-127.5-112.8 150.3 23.0 37.4 24.8 58 59 A Y B -o 45 0D 0 -14,-2.3 -12,-2.0 -2,-0.3 -11,-0.3 -0.838 18.5-162.4 -87.7 129.2 24.5 39.8 22.1 59 60 A T > - 0 0 35 -2,-0.4 3,-1.9 -14,-0.2 4,-0.3 -0.909 3.8-169.0-113.8 98.6 26.8 42.6 23.5 60 61 A P G > S+ 0 0 7 0, 0.0 3,-1.8 0, 0.0 6,-0.3 0.846 83.4 64.0 -59.8 -33.1 27.2 45.3 20.8 61 62 A S G 3 S+ 0 0 108 1,-0.3 -2,-0.0 3,-0.0 3,-0.0 0.576 99.0 55.4 -69.8 -7.1 30.0 47.1 22.8 62 63 A K G < S+ 0 0 150 -3,-1.9 2,-0.5 -36,-0.0 -1,-0.3 0.407 92.3 85.7 -97.5 2.7 32.2 44.0 22.4 63 64 A S X - 0 0 11 -3,-1.8 3,-1.0 -4,-0.3 -39,-0.1 -0.908 61.7-159.3-109.5 119.8 31.9 44.0 18.5 64 65 A T T 3 S+ 0 0 120 -39,-2.5 -1,-0.1 -2,-0.5 -40,-0.0 0.733 94.4 49.8 -67.2 -22.4 34.4 46.2 16.6 65 66 A T T 3 S+ 0 0 52 -40,-0.2 -1,-0.2 27,-0.1 2,-0.2 0.446 82.3 115.9 -96.7 -2.5 31.9 46.3 13.5 66 67 A A < - 0 0 25 -3,-1.0 2,-0.4 -6,-0.3 25,-0.2 -0.498 40.7-175.4 -71.4 136.8 28.7 47.3 15.4 67 68 A K E -L 90 0C 141 23,-2.2 23,-2.4 -2,-0.2 2,-0.3 -0.999 25.3-124.9-129.7 130.3 27.1 50.7 14.5 68 69 A L E -L 89 0C 104 -2,-0.4 2,-1.0 21,-0.2 21,-0.3 -0.587 19.1-135.1 -70.8 129.5 24.0 52.3 16.2 69 70 A L E > - 0 0 56 19,-2.8 3,-1.8 -2,-0.3 19,-0.4 -0.767 32.8-129.0 -85.1 98.4 21.2 53.1 13.7 70 71 A S E 3 S+ 0 0 113 -2,-1.0 19,-0.0 1,-0.2 -1,-0.0 -0.252 80.1 5.1 -60.1 132.6 20.4 56.6 15.1 71 72 A G E 3 S+ 0 0 66 1,-0.2 2,-0.3 66,-0.0 -1,-0.2 0.374 95.5 131.1 87.5 -9.8 16.7 57.3 15.8 72 73 A A E < + 0 0 9 -3,-1.8 16,-0.6 16,-0.2 2,-0.3 -0.635 26.0 168.3 -94.0 137.7 15.4 53.8 15.0 73 74 A T E -LM 87 136C 81 63,-2.4 63,-2.6 -2,-0.3 2,-0.3 -0.914 12.7-159.1-135.6 165.4 13.1 51.7 17.2 74 75 A W E +L 86 0C 8 12,-1.8 12,-1.9 -2,-0.3 2,-0.3 -0.975 10.8 177.6-145.6 156.8 11.1 48.4 16.8 75 76 A S E +L 85 0C 85 59,-0.3 2,-0.3 -2,-0.3 10,-0.2 -0.870 11.8 178.2-162.4 123.1 8.0 46.7 18.5 76 77 A I E -L 84 0C 18 8,-2.3 8,-1.6 -2,-0.3 2,-0.3 -0.964 11.4-169.7-133.0 148.5 6.4 43.3 17.4 77 78 A S E -L 83 0C 96 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.985 14.1-148.5-136.3 150.4 3.6 41.0 18.5 78 79 A Y > - 0 0 34 4,-2.3 3,-2.3 -2,-0.3 -40,-0.0 -0.585 32.1 -97.9-115.5 169.5 2.8 37.5 17.3 79 80 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.776 121.4 57.1 -62.2 -26.7 -0.4 35.4 16.9 80 81 A D T 3 S- 0 0 72 251,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.398 122.4-105.7 -83.8 4.5 0.1 33.6 20.2 81 82 A G S < S+ 0 0 61 -3,-2.3 -2,-0.1 1,-0.3 2,-0.1 0.389 75.2 138.0 88.4 0.7 0.1 37.0 22.0 82 83 A S + 0 0 6 30,-0.1 -4,-2.3 31,-0.1 -1,-0.3 -0.322 27.4 175.4 -73.6 160.1 4.0 37.1 22.6 83 84 A S E +L 77 0C 51 -6,-0.2 29,-2.4 -2,-0.1 2,-0.3 -0.989 18.5 179.8-160.5 164.8 5.9 40.4 22.1 84 85 A S E -LN 76 111C 6 -8,-1.6 -8,-2.3 -2,-0.3 2,-0.3 -0.956 6.2-176.4-162.9 165.5 9.3 42.3 22.3 85 86 A S E +LN 75 110C 28 25,-1.6 24,-2.3 -2,-0.3 25,-1.6 -0.981 18.8 115.3-161.7 163.9 10.7 45.8 21.5 86 87 A G E -LN 74 108C 7 -12,-1.9 -12,-1.8 22,-0.3 22,-0.2 -0.952 52.7 -50.6 169.2-150.2 14.0 47.9 21.6 87 88 A D E -LN 73 107C 24 20,-1.3 20,-1.9 -2,-0.3 2,-0.4 -0.484 47.6-112.4-115.9-177.4 16.7 49.8 19.5 88 89 A V E - N 0 106C 0 -16,-0.6 -19,-2.8 -19,-0.4 2,-0.3 -0.982 22.6-179.9-135.2 131.6 18.7 48.9 16.3 89 90 A Y E -LN 68 105C 39 16,-2.4 16,-3.0 -2,-0.4 2,-0.4 -0.813 21.7-138.9-111.3 154.0 22.4 48.2 15.4 90 91 A T E +LN 67 104C 24 -23,-2.4 -23,-2.2 -2,-0.3 2,-0.3 -0.942 40.5 149.3-103.3 142.2 23.9 47.3 12.0 91 92 A D E - 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