==== 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/HYDROLASE INHIBITOR 22-NOV-11 3URI . COMPND 2 MOLECULE: ENDOTHIAPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPHONECTRIA PARASITICA; . AUTHOR D.BAILEY,J.SANZ-APARICIO,A.ALBERT,J.B.COOPER . 335 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13016.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 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 . 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 . 20 6.0 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 1 1 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 0 3 1 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 4 4 2 4 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 69 0, 0.0 151,-2.1 0, 0.0 152,-0.3 0.000 360.0 360.0 360.0 174.5 28.1 33.1 -2.8 2 2 A T - 0 0 55 149,-0.2 2,-0.3 150,-0.1 169,-0.2 -0.799 360.0-143.3-135.7 179.9 26.0 30.4 -1.1 3 3 A G E -A 170 0A 2 167,-2.1 167,-2.7 -2,-0.2 2,-0.4 -0.971 11.5-175.5-155.5 137.4 25.2 29.2 2.4 4 4 A S E +A 169 0A 67 92,-2.0 2,-0.3 -2,-0.3 165,-0.2 -0.984 14.1 161.6-136.0 129.0 24.5 26.1 4.4 5 5 A A E -A 168 0A 10 163,-1.5 163,-2.5 -2,-0.4 2,-0.2 -0.998 33.1-117.6-147.4 140.9 23.4 25.9 8.1 6 6 A T E -A 167 0A 79 -2,-0.3 2,-0.5 161,-0.2 161,-0.3 -0.456 18.9-157.6 -78.7 141.6 21.9 23.2 10.3 7 7 A T E -A 166 0A 1 159,-2.6 159,-2.6 152,-0.2 154,-0.3 -0.975 12.2-170.7-123.6 127.5 18.5 23.6 12.0 8 8 A T E -F 18 0B 57 10,-1.9 10,-2.1 -2,-0.5 2,-0.0 -0.936 28.3-105.5-124.0 140.0 17.7 21.5 15.0 9 9 A P E -F 17 0B 24 0, 0.0 8,-0.2 0, 0.0 3,-0.0 -0.311 20.6-140.2 -60.6 133.1 14.4 20.9 16.9 10 10 A I S S- 0 0 28 6,-2.3 2,-0.3 -2,-0.0 7,-0.1 0.554 78.2 -5.1 -70.7 -10.0 14.4 22.7 20.3 11 11 A D S > S- 0 0 47 5,-0.3 3,-1.1 1,-0.0 5,-0.1 -0.965 85.1 -76.5-169.2 178.6 12.7 19.7 21.9 12 12 A S T 3 S+ 0 0 98 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.714 121.1 53.5 -58.9 -31.9 11.1 16.3 21.6 13 13 A L T 3 S- 0 0 52 3,-0.0 -1,-0.3 267,-0.0 150,-0.0 0.613 102.1-125.4 -88.6 -9.9 7.9 17.7 20.2 14 14 A D < + 0 0 1 -3,-1.1 -2,-0.1 2,-0.1 3,-0.1 0.884 51.8 157.7 66.8 36.1 9.3 19.7 17.3 15 15 A D - 0 0 1 1,-0.2 318,-0.7 317,-0.1 2,-0.3 0.793 68.9 -23.2 -62.8 -25.0 7.6 22.8 18.6 16 16 A A - 0 0 1 -5,-0.1 -6,-2.3 316,-0.1 2,-0.4 -0.944 63.2-123.1-175.9 162.2 10.1 24.9 16.7 17 17 A Y E -F 9 0B 6 -2,-0.3 17,-0.4 202,-0.3 2,-0.3 -0.960 16.2-155.3-126.0 142.8 13.6 24.8 15.2 18 18 A I E -F 8 0B 25 -10,-2.1 -10,-1.9 -2,-0.4 15,-0.2 -0.861 4.5-159.8-113.1 150.1 16.6 27.1 16.0 19 19 A T E -G 32 0C 0 13,-2.9 13,-2.1 -2,-0.3 2,-0.3 -0.974 24.7-113.2-127.4 142.3 19.6 27.8 13.7 20 20 A P E -G 31 0C 42 0, 0.0 76,-0.4 0, 0.0 2,-0.4 -0.578 36.5-177.7 -74.3 131.0 23.0 29.1 14.7 21 21 A V E -G 30 0C 0 9,-3.4 9,-2.8 -2,-0.3 2,-0.7 -0.992 20.9-135.0-131.3 140.7 23.7 32.6 13.3 22 22 A Q E -GH 29 94C 51 72,-2.9 72,-2.2 -2,-0.4 2,-0.5 -0.830 21.9-168.2-102.9 113.7 26.9 34.7 13.7 23 23 A I E > -GH 28 93C 0 5,-3.9 5,-3.0 -2,-0.7 70,-0.2 -0.862 40.3 -26.2-106.9 129.9 26.4 38.3 14.7 24 24 A G T 5S- 0 0 7 68,-3.0 39,-0.1 -2,-0.5 67,-0.1 0.005 88.4 -23.9 76.8-172.3 29.1 41.0 14.6 25 25 A T T 5S+ 0 0 50 2,-0.2 39,-3.3 1,-0.1 40,-0.3 -0.988 131.4 22.6-125.8 116.6 32.9 41.3 14.9 26 26 A P T 5S- 0 0 97 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.658 120.0 -96.8 -73.4 165.7 34.2 39.1 16.3 27 27 A A T 5 - 0 0 67 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.275 35.4-165.7 -62.8 123.9 31.4 36.7 15.7 28 28 A Q E < -G 23 0C 38 -5,-3.0 -5,-3.9 -2,-0.1 2,-0.6 -0.944 18.5-142.9 -99.7 125.3 28.9 36.3 18.5 29 29 A T E +G 22 0C 69 -2,-0.5 2,-0.3 -7,-0.3 -7,-0.2 -0.796 23.0 174.5-102.6 121.3 26.8 33.2 17.9 30 30 A L E -G 21 0C 1 -9,-2.8 -9,-3.4 -2,-0.6 2,-0.9 -0.917 30.7-129.3-120.6 148.4 23.1 33.0 18.7 31 31 A N E +G 20 0C 55 -2,-0.3 91,-2.7 -11,-0.3 92,-0.6 -0.873 37.7 178.1 -96.4 102.8 20.5 30.3 18.0 32 32 A L E -Gi 19 123C 0 -13,-2.1 -13,-2.9 -2,-0.9 2,-0.7 -0.795 32.9-115.4-106.7 149.3 17.6 32.1 16.4 33 33 A D E - i 0 124C 9 90,-2.4 92,-2.1 -2,-0.3 2,-0.5 -0.747 27.8-134.8 -80.3 114.4 14.3 30.7 15.1 34 34 A F E - i 0 125C 1 -2,-0.7 2,-0.5 -17,-0.4 -17,-0.2 -0.656 26.9-167.6 -64.4 114.5 14.1 31.2 11.3 35 35 A D E > - i 0 126C 4 90,-3.3 92,-2.2 -2,-0.5 3,-1.6 -0.867 23.8-178.5-124.0 99.9 10.6 32.5 10.7 36 36 A T T 3 S+ 0 0 0 -2,-0.5 158,-0.7 1,-0.3 93,-0.2 0.503 84.4 64.8 -70.7 -3.7 9.1 32.7 7.2 37 37 A G T 3 S+ 0 0 0 91,-0.1 300,-1.8 156,-0.1 2,-0.3 0.254 104.7 44.4-103.1 13.0 6.0 34.2 8.6 38 38 A S < - 0 0 0 -3,-1.6 90,-2.5 298,-0.2 89,-0.8 -0.957 62.6-144.9-148.9 171.9 7.7 37.4 9.8 39 39 A S + 0 0 1 93,-0.4 2,-0.5 -2,-0.3 101,-0.1 -0.005 61.5 102.7-130.3 30.6 10.1 40.0 8.7 40 40 A D - 0 0 0 -5,-0.2 2,-1.0 93,-0.1 86,-0.3 -0.951 50.4-156.3-122.4 129.1 12.1 41.0 11.8 41 41 A L + 0 0 8 -2,-0.5 65,-2.7 84,-0.2 2,-0.3 -0.820 38.3 152.1 -97.6 99.0 15.6 40.0 12.8 42 42 A W E +jK 106 124C 0 82,-1.2 82,-2.5 -2,-1.0 2,-0.3 -0.931 18.2 178.0-126.8 155.1 15.7 40.5 16.5 43 43 A V E -jK 107 123C 0 63,-1.9 65,-1.7 -2,-0.3 80,-0.3 -0.981 39.7 -88.1-145.1 159.4 17.6 38.9 19.4 44 44 A F E +j 108 0C 1 78,-2.7 14,-2.4 -2,-0.3 2,-0.3 -0.419 57.8 179.8 -53.2 136.7 18.0 39.1 23.2 45 45 A S B > -o 58 0D 1 63,-0.5 3,-1.6 12,-0.3 14,-0.2 -0.819 48.2 -91.2-139.9 175.2 20.8 41.6 23.9 46 46 A S T 3 S+ 0 0 58 12,-2.4 13,-0.1 1,-0.3 4,-0.1 0.647 122.8 62.1 -58.5 -21.0 22.8 43.3 26.6 47 47 A E T 3 S+ 0 0 58 11,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.530 78.5 113.3 -83.3 -11.3 20.0 45.9 26.5 48 48 A T S < S- 0 0 11 -3,-1.6 62,-0.2 1,-0.1 61,-0.2 -0.410 84.1 -95.4 -73.0 138.4 17.3 43.6 27.6 49 49 A T >> - 0 0 62 60,-1.9 3,-1.9 1,-0.2 4,-0.6 -0.350 36.9-135.3 -51.0 117.9 15.6 44.0 30.9 50 50 A A G >4 S+ 0 0 82 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.817 101.9 53.9 -51.5 -43.5 17.5 41.7 33.2 51 51 A S G 34 S+ 0 0 107 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.740 108.0 53.9 -68.1 -15.4 14.5 40.1 34.9 52 52 A E G <4 0 0 54 -3,-1.9 -1,-0.3 1,-0.0 -2,-0.2 0.617 360.0 360.0 -91.8 -11.3 13.1 39.4 31.5 53 53 A V << 0 0 66 -3,-1.2 63,-0.1 -4,-0.6 64,-0.1 -0.818 360.0 360.0 -93.5 360.0 16.3 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 47 0, 0.0 2,-0.4 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 153.8 19.2 33.0 26.5 56 56 A T - 0 0 75 63,-0.3 2,-0.3 -25,-0.1 -12,-0.3 -0.692 360.0-147.7 -76.0 134.5 22.5 33.7 24.7 57 57 A I - 0 0 60 -2,-0.4 2,-0.5 -14,-0.1 -12,-0.3 -0.744 10.8-124.4-114.2 158.5 22.6 37.5 24.3 58 58 A Y B -o 45 0D 0 -14,-2.4 -12,-2.4 -2,-0.3 -11,-0.3 -0.784 18.5-160.6 -92.3 126.2 24.0 39.9 21.7 59 59 A T > - 0 0 20 -2,-0.5 3,-1.5 -14,-0.2 4,-0.2 -0.900 3.3-168.2-114.7 108.3 26.3 42.6 23.1 60 60 A P G > S+ 0 0 9 0, 0.0 3,-1.8 0, 0.0 6,-0.3 0.871 84.2 55.9 -54.6 -49.3 26.5 45.5 20.6 61 61 A S G 3 S+ 0 0 109 1,-0.3 -2,-0.0 3,-0.0 3,-0.0 0.292 100.9 58.7 -75.5 3.5 29.5 47.2 22.3 62 62 A K G < S+ 0 0 149 -3,-1.5 2,-0.5 -36,-0.0 -1,-0.3 0.352 93.0 82.6-110.9 1.7 31.6 44.1 22.0 63 63 A S < - 0 0 12 -3,-1.8 3,-0.3 -4,-0.2 -39,-0.1 -0.905 62.4-161.8-103.8 129.8 31.2 44.1 18.3 64 64 A T S S+ 0 0 104 -39,-3.3 -1,-0.1 -2,-0.5 -40,-0.0 0.889 90.6 50.9 -75.2 -39.9 33.5 46.4 16.3 65 65 A T S S+ 0 0 54 -40,-0.3 -1,-0.2 27,-0.1 37,-0.2 0.478 86.0 113.1 -79.8 -2.5 31.4 46.4 13.1 66 66 A A - 0 0 22 -3,-0.3 2,-0.3 -6,-0.3 25,-0.2 -0.467 42.9-176.4 -74.1 145.4 28.2 47.3 15.0 67 67 A K E -L 90 0C 139 23,-1.8 23,-2.3 -2,-0.1 2,-0.4 -0.995 27.5-118.7-143.0 130.1 26.6 50.8 14.4 68 68 A L E -L 89 0C 99 -2,-0.3 2,-1.3 21,-0.2 21,-0.3 -0.554 19.4-139.4 -73.7 127.9 23.6 52.3 16.1 69 69 A L E > - 0 0 54 19,-3.2 3,-1.8 -2,-0.4 19,-0.4 -0.690 32.8-129.4 -89.6 95.4 20.8 53.1 13.6 70 70 A S E 3 S- 0 0 103 -2,-1.3 3,-0.1 1,-0.3 -1,-0.0 -0.036 75.5 -1.3 -57.2 136.5 19.8 56.4 15.0 71 71 A G E 3 S+ 0 0 71 1,-0.2 2,-0.3 66,-0.0 -1,-0.3 0.371 96.2 130.0 71.8 -5.0 16.2 57.2 15.9 72 72 A A E < + 0 0 7 -3,-1.8 16,-0.8 16,-0.2 2,-0.3 -0.646 29.8 171.2 -86.0 143.6 15.0 53.8 14.7 73 73 A T E -LM 87 136C 76 63,-2.4 63,-3.1 -2,-0.3 2,-0.3 -0.982 13.8-158.4-146.0 151.9 12.8 51.6 16.8 74 74 A W E +L 86 0C 6 12,-1.6 12,-1.5 -2,-0.3 2,-0.3 -0.928 10.1 179.2-134.2 157.3 10.8 48.4 16.6 75 75 A S E -L 85 0C 87 59,-0.3 2,-0.4 -2,-0.3 10,-0.3 -0.920 14.5-178.5-155.4 122.7 7.8 46.7 18.3 76 76 A I E -L 84 0C 4 8,-3.5 8,-1.8 -2,-0.3 2,-0.4 -0.979 14.7-171.4-133.3 142.2 6.4 43.4 17.3 77 77 A S E -L 83 0C 71 -2,-0.4 261,-0.4 6,-0.2 6,-0.3 -0.992 17.8-149.6-125.1 142.2 3.6 41.1 18.3 78 78 A Y > - 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