==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-NOV-11 3URJ . COMPND 2 MOLECULE: ENDOTHIAPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENDOTHIA PARASITICA; . AUTHOR D.BAILEY,J.B.COOPER . 328 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 71.6 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 32.0 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 . 46 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.7 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 59 0, 0.0 151,-1.9 0, 0.0 152,-0.3 0.000 360.0 360.0 360.0 159.5 27.9 32.9 -2.7 2 2 A T - 0 0 59 149,-0.2 2,-0.3 95,-0.1 169,-0.2 -0.920 360.0-157.4-140.0 166.4 26.0 30.3 -0.8 3 3 A G E -A 170 0A 2 167,-2.0 167,-3.2 -2,-0.3 2,-0.3 -0.996 4.0-171.8-146.5 150.3 25.3 29.3 2.8 4 4 A S E +A 169 0A 62 92,-2.1 2,-0.3 -2,-0.3 165,-0.2 -0.964 10.0 176.1-144.0 127.5 24.2 26.1 4.5 5 5 A A E -A 168 0A 7 163,-2.4 163,-2.7 -2,-0.3 2,-0.4 -0.979 28.7-120.7-137.1 144.7 23.2 25.7 8.2 6 6 A T E -A 167 0A 81 -2,-0.3 2,-0.4 161,-0.2 161,-0.3 -0.696 24.4-160.9 -83.9 130.9 21.9 22.9 10.4 7 7 A T E -A 166 0A 0 159,-1.6 159,-3.1 -2,-0.4 12,-0.2 -0.936 8.9-168.9-113.8 134.5 18.5 23.5 12.1 8 8 A T E -F 18 0B 54 10,-2.3 10,-2.8 -2,-0.4 152,-0.0 -0.966 27.3-105.3-128.9 141.9 17.6 21.4 15.1 9 9 A P E -F 17 0B 29 0, 0.0 8,-0.3 0, 0.0 3,-0.0 -0.362 23.1-139.0 -61.3 138.6 14.3 20.9 17.0 10 10 A I S S+ 0 0 34 6,-2.6 2,-0.3 -2,-0.0 7,-0.1 0.707 81.1 4.0 -73.6 -21.5 14.2 22.7 20.4 11 11 A D S > S- 0 0 57 5,-0.4 3,-1.3 109,-0.0 5,-0.1 -0.862 90.4 -84.5-149.2-179.1 12.5 19.8 22.1 12 12 A S T 3 S+ 0 0 101 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.501 121.6 58.8 -74.0 -4.9 11.3 16.3 21.5 13 13 A L T 3 S- 0 0 51 3,-0.1 -1,-0.2 267,-0.0 -3,-0.0 0.341 106.2-120.7 -99.0 0.6 8.0 17.6 20.0 14 14 A D < + 0 0 0 -3,-1.3 -2,-0.1 2,-0.1 3,-0.1 0.893 53.3 160.7 56.2 42.7 9.5 19.7 17.2 15 15 A D - 0 0 52 1,-0.2 2,-0.3 291,-0.0 291,-0.1 0.873 68.1 -23.3 -60.3 -34.8 7.8 22.7 18.8 16 16 A A - 0 0 11 -5,-0.1 -6,-2.6 206,-0.1 -5,-0.4 -0.951 65.4-118.3-165.3 170.4 10.2 24.9 16.8 17 17 A Y E -F 9 0B 5 -2,-0.3 17,-0.5 -8,-0.3 2,-0.4 -0.946 18.0-154.7-122.2 139.5 13.7 24.8 15.2 18 18 A I E -F 8 0B 20 -10,-2.8 -10,-2.3 -2,-0.4 15,-0.2 -0.901 5.7-168.3-117.4 149.0 16.8 26.8 15.9 19 19 A T E -G 32 0C 0 13,-2.3 13,-2.4 -2,-0.4 -12,-0.2 -1.000 28.6-112.4-131.9 131.1 19.7 27.6 13.6 20 20 A P E -G 31 0C 49 0, 0.0 2,-0.4 0, 0.0 76,-0.4 -0.465 34.0-173.0 -67.1 135.9 23.1 29.1 14.7 21 21 A V E -G 30 0C 0 9,-2.9 9,-2.6 -2,-0.2 2,-0.6 -0.993 16.4-141.4-130.0 134.1 23.7 32.7 13.5 22 22 A Q E -GH 29 94C 57 72,-3.2 72,-2.9 -2,-0.4 2,-0.5 -0.835 23.1-174.4 -99.4 122.1 27.0 34.6 13.8 23 23 A I E > -GH 28 93C 0 5,-3.4 5,-2.4 -2,-0.6 70,-0.2 -0.959 40.0 -7.6-121.3 134.4 26.5 38.2 14.6 24 24 A G T 5S- 0 0 8 68,-2.9 39,-0.1 -2,-0.5 70,-0.1 -0.169 90.3 -43.0 87.0 179.8 29.2 41.0 14.9 25 25 A T T 5S+ 0 0 56 1,-0.2 39,-2.9 2,-0.1 40,-0.3 -0.993 132.2 28.2-133.2 118.3 33.0 41.1 14.9 26 26 A P T 5S- 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.662 121.4-101.8 -61.4 155.9 34.3 38.9 16.4 27 27 A A T 5 - 0 0 63 -2,-0.1 2,-0.5 -5,-0.1 -3,-0.2 -0.245 29.5-158.5 -60.6 132.4 31.4 36.7 15.9 28 28 A Q E < -G 23 0C 35 -5,-2.4 -5,-3.4 -4,-0.1 2,-0.6 -0.953 17.8-142.1-101.5 123.5 28.8 36.2 18.6 29 29 A T E +G 22 0C 74 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.794 24.9 174.4 -96.0 120.1 26.9 32.9 18.0 30 30 A L E -G 21 0C 1 -9,-2.6 -9,-2.9 -2,-0.6 2,-0.7 -0.914 32.0-125.5-121.5 149.9 23.2 33.0 18.8 31 31 A N E -G 20 0C 60 -2,-0.3 91,-2.6 -11,-0.2 92,-0.5 -0.875 37.5-171.9 -96.9 106.0 20.5 30.3 18.2 32 32 A L E -G 19 0C 0 -13,-2.4 -13,-2.3 -2,-0.7 2,-0.8 -0.746 27.0-125.0-108.1 148.4 17.7 31.9 16.2 33 33 A D E -i 124 0C 17 90,-2.4 92,-2.2 -2,-0.3 2,-0.6 -0.786 26.3-140.1 -84.3 105.8 14.2 30.7 15.2 34 34 A F E -i 125 0C 2 -2,-0.8 2,-0.5 -17,-0.5 92,-0.2 -0.647 25.1-172.5 -74.2 115.8 14.0 31.1 11.4 35 35 A D E > -i 126 0C 9 90,-2.5 92,-2.8 -2,-0.6 3,-1.2 -0.925 25.8-176.8-121.2 103.9 10.4 32.4 10.8 36 36 A T T 3 S+ 0 0 1 -2,-0.5 158,-0.5 1,-0.2 93,-0.1 0.484 84.7 68.9 -81.4 3.5 9.0 32.7 7.3 37 37 A G T 3 S+ 0 0 14 91,-0.1 2,-0.3 156,-0.1 -1,-0.2 0.288 104.1 34.3 -95.9 3.2 5.9 34.2 8.9 38 38 A S < - 0 0 8 -3,-1.2 90,-2.7 87,-0.1 89,-0.6 -0.930 64.0-140.6-150.4 176.4 7.6 37.5 10.0 39 39 A S + 0 0 2 93,-0.3 2,-0.4 -2,-0.3 94,-0.1 0.122 61.7 100.4-136.4 26.6 10.3 39.9 8.8 40 40 A D - 0 0 0 93,-0.1 2,-0.7 -5,-0.1 86,-0.7 -0.941 52.0-152.9-113.9 136.6 12.3 41.1 11.8 41 41 A L E +J 125 0C 6 -2,-0.4 65,-3.0 63,-0.3 2,-0.4 -0.934 35.8 163.2 -98.6 104.0 15.7 39.8 12.9 42 42 A W E -Jk 124 106C 0 82,-1.9 82,-2.0 -2,-0.7 2,-0.3 -0.962 15.0-170.1-127.6 148.1 15.6 40.6 16.7 43 43 A V E -Jk 123 107C 0 63,-2.7 65,-2.2 -2,-0.4 80,-0.2 -0.952 31.7-104.5-136.3 150.7 17.8 39.2 19.5 44 44 A F + 0 0 1 78,-2.5 14,-2.8 -2,-0.3 2,-0.3 -0.466 57.3 173.7 -58.3 141.9 18.1 39.1 23.2 45 45 A S B > -o 58 0D 2 63,-0.4 3,-1.6 12,-0.3 14,-0.2 -0.890 52.3 -87.3-148.6 177.7 20.8 41.5 24.1 46 46 A S T 3 S+ 0 0 57 12,-2.8 13,-0.1 -2,-0.3 4,-0.1 0.691 122.8 60.3 -61.3 -15.5 22.8 43.4 26.8 47 47 A E T 3 S+ 0 0 55 11,-0.3 -1,-0.3 61,-0.1 2,-0.2 0.562 79.1 110.1 -87.7 -11.9 20.0 46.0 26.5 48 48 A T S < S- 0 0 11 -3,-1.6 62,-0.2 1,-0.1 61,-0.2 -0.497 86.3 -94.5 -74.2 132.5 17.2 43.6 27.6 49 49 A T > - 0 0 58 60,-2.1 3,-2.1 -2,-0.2 4,-0.4 -0.204 37.8-131.7 -38.8 120.2 15.6 44.2 31.0 50 50 A A G > S+ 0 0 83 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.799 103.3 56.0 -60.3 -37.4 17.6 41.8 33.3 51 51 A S G 3 S+ 0 0 106 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.629 105.9 55.0 -71.8 -9.8 14.6 40.2 35.0 52 52 A E G < 0 0 55 -3,-2.1 -1,-0.3 -4,-0.0 -2,-0.2 0.416 360.0 360.0-100.6 -3.7 13.3 39.3 31.5 53 53 A V < 0 0 65 -3,-1.2 63,-0.1 -4,-0.4 64,-0.0 -0.881 360.0 360.0 -97.9 360.0 16.5 37.5 30.5 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 55 0, 0.0 2,-0.4 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 154.3 19.4 32.8 26.6 56 56 A T - 0 0 74 63,-0.2 2,-0.3 -25,-0.1 -12,-0.3 -0.768 360.0-148.5 -85.5 131.0 22.6 33.9 24.9 57 57 A I - 0 0 60 -2,-0.4 2,-0.5 -14,-0.1 -12,-0.3 -0.749 8.3-125.9-108.0 150.4 22.6 37.7 24.5 58 58 A Y B -o 45 0D 0 -14,-2.8 -12,-2.8 -2,-0.3 -11,-0.3 -0.764 16.9-161.3 -88.9 135.1 24.1 40.0 21.9 59 59 A T > - 0 0 19 -2,-0.5 3,-2.0 -14,-0.2 4,-0.2 -0.871 5.3-170.9-117.1 98.9 26.3 42.7 23.1 60 60 A P G > S+ 0 0 8 0, 0.0 3,-1.6 0, 0.0 6,-0.3 0.825 83.3 65.2 -60.2 -31.2 26.7 45.4 20.5 61 61 A S G 3 S+ 0 0 109 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.639 99.6 53.9 -69.1 -9.9 29.5 47.2 22.5 62 62 A K G < S+ 0 0 154 -3,-2.0 2,-0.5 -36,-0.0 -1,-0.3 0.351 92.2 84.0-101.9 2.4 31.7 44.1 21.9 63 63 A S X - 0 0 10 -3,-1.6 3,-1.0 -4,-0.2 -39,-0.1 -0.925 63.9-156.9-107.6 123.0 31.3 44.0 18.2 64 64 A T T 3 S+ 0 0 117 -39,-2.9 -1,-0.1 -2,-0.5 -40,-0.0 0.743 93.6 51.3 -70.1 -22.0 33.7 46.3 16.2 65 65 A T T 3 S+ 0 0 53 -40,-0.3 2,-0.2 27,-0.1 -1,-0.2 0.481 81.7 113.7 -96.9 -0.1 31.3 46.4 13.3 66 66 A A < - 0 0 26 -3,-1.0 2,-0.4 -6,-0.3 25,-0.2 -0.534 41.1-177.2 -76.0 137.0 28.1 47.4 15.1 67 67 A K E -L 90 0C 146 23,-2.3 23,-2.6 -2,-0.2 2,-0.3 -0.991 26.8-120.5-128.0 136.7 26.6 50.8 14.4 68 68 A L E -L 89 0C 99 -2,-0.4 2,-1.1 21,-0.2 21,-0.3 -0.592 18.7-133.3 -76.3 136.7 23.6 52.3 16.1 69 69 A L E > - 0 0 54 19,-3.1 3,-1.9 -2,-0.3 19,-0.4 -0.784 34.0-126.4 -92.8 100.5 20.7 53.1 13.7 70 70 A S E 3 S- 0 0 112 -2,-1.1 3,-0.1 1,-0.3 19,-0.0 -0.211 79.7 -3.7 -55.3 129.3 19.9 56.6 15.0 71 71 A G E 3 S+ 0 0 72 1,-0.2 2,-0.4 66,-0.0 -1,-0.3 0.394 96.0 133.4 72.5 3.0 16.3 57.2 16.0 72 72 A A E < + 0 0 8 -3,-1.9 16,-0.7 16,-0.2 2,-0.3 -0.711 26.3 170.8 -91.4 134.2 15.1 53.8 14.8 73 73 A T E -LM 87 136C 82 63,-2.0 63,-2.8 -2,-0.4 2,-0.3 -0.908 12.2-159.5-134.4 164.4 12.8 51.7 17.0 74 74 A W E +L 86 0C 7 12,-1.9 12,-2.0 -2,-0.3 2,-0.3 -0.967 10.7 179.6-144.7 157.8 10.8 48.5 16.6 75 75 A S E +L 85 0C 84 59,-0.3 2,-0.3 -2,-0.3 10,-0.2 -0.855 12.2 178.4-161.3 122.7 7.8 46.7 18.3 76 76 A I E -L 84 0C 15 8,-2.7 8,-1.8 -2,-0.3 2,-0.4 -0.949 11.3-169.5-130.3 146.1 6.4 43.4 17.1 77 77 A S E -L 83 0C 92 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.993 14.8-149.5-133.0 148.0 3.6 41.1 18.3 78 78 A Y > - 0 0 37 4,-2.7 3,-2.3 -2,-0.4 -40,-0.0 -0.631 33.3 -94.1-113.3 170.2 3.0 37.6 17.1 79 79 A G T 3 S+ 0 0 91 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.784 121.4 57.0 -50.0 -41.0 -0.1 35.3 16.7 80 80 A D T 3 S- 0 0 120 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.485 120.6-106.2 -73.7 -6.6 0.4 33.7 20.1 81 81 A G S < S+ 0 0 58 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.1 0.338 76.7 134.9 96.2 -5.9 0.2 37.1 21.8 82 82 A S + 0 0 4 30,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.369 30.1 178.2 -75.1 158.3 3.9 37.3 22.5 83 83 A S E -L 77 0C 50 -6,-0.2 29,-2.0 -3,-0.1 2,-0.3 -0.971 17.4-177.5-156.5 164.6 5.7 40.6 21.8 84 84 A S E -LN 76 111C 4 -8,-1.8 -8,-2.7 -2,-0.3 2,-0.3 -0.967 4.6-178.5-161.4 164.2 9.1 42.5 22.0 85 85 A S E +LN 75 110C 24 25,-1.6 24,-3.0 -2,-0.3 25,-1.4 -0.983 18.0 120.4-160.4 166.3 10.5 45.9 21.2 86 86 A G E -LN 74 108C 7 -12,-2.0 -12,-1.9 -2,-0.3 22,-0.2 -0.979 52.3 -56.4 166.5-152.3 13.7 47.9 21.3 87 87 A D E -LN 73 107C 19 20,-1.4 20,-2.1 -2,-0.3 2,-0.4 -0.521 47.2-111.6-118.1-174.9 16.2 49.8 19.2 88 88 A V E + N 0 106C 0 -16,-0.7 -19,-3.1 -19,-0.4 2,-0.3 -0.974 24.0 177.6-133.2 134.7 18.3 48.9 16.1 89 89 A Y E -LN 68 105C 36 16,-2.3 16,-3.3 -2,-0.4 2,-0.4 -0.869 22.7-136.7-116.0 158.1 21.9 48.3 15.2 90 90 A T E +LN 67 104C 26 -23,-2.6 -23,-2.3 -2,-0.3 2,-0.3 -0.920 38.9 149.0-107.5 149.1 23.4 47.3 11.9 91 91 A D E - 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