==== 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 3URL . COMPND 2 MOLECULE: ENDOTHIAPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENDOTHIA 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) . 13136.0 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 . 18 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 31.9 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 . 48 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.1 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 2 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 3 5 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 60 0, 0.0 151,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 165.0 27.9 -305.1 -2.8 2 2 A T - 0 0 57 149,-0.2 2,-0.3 95,-0.1 169,-0.2 -0.944 360.0-158.7-145.8 169.9 26.0 -307.8 -0.8 3 3 A G E -A 170 0A 2 167,-1.6 167,-3.3 -2,-0.3 2,-0.3 -0.989 2.0-168.1-152.0 151.2 25.4 -308.9 2.8 4 4 A S E +A 169 0A 60 92,-2.2 2,-0.3 -2,-0.3 165,-0.2 -0.983 11.4 176.0-143.3 128.0 24.3 -312.1 4.5 5 5 A A E -A 168 0A 9 163,-2.3 163,-2.9 -2,-0.3 2,-0.3 -0.993 28.4-121.1-138.8 142.9 23.3 -312.5 8.1 6 6 A T E -A 167 0A 82 -2,-0.3 2,-0.4 161,-0.2 161,-0.3 -0.652 24.0-156.7 -79.2 134.3 21.9 -315.3 10.3 7 7 A T E -A 166 0A 0 159,-2.0 159,-2.7 -2,-0.3 154,-0.3 -0.960 9.1-164.8-117.7 133.7 18.6 -314.8 12.0 8 8 A T E -F 18 0B 63 10,-2.1 10,-3.0 -2,-0.4 2,-0.1 -0.936 24.6-112.3-122.8 137.2 17.6 -316.7 15.1 9 9 A P E -F 17 0B 21 0, 0.0 8,-0.3 0, 0.0 153,-0.0 -0.421 22.9-138.3 -63.7 140.6 14.3 -317.3 16.9 10 10 A I S S+ 0 0 28 6,-2.6 2,-0.3 -2,-0.1 7,-0.1 0.665 79.1 5.3 -76.9 -17.2 14.3 -315.6 20.3 11 11 A D S > S- 0 0 39 5,-0.4 3,-1.5 320,-0.0 152,-0.1 -0.895 88.9 -83.4-153.5-178.6 12.6 -318.5 22.0 12 12 A S T 3 S+ 0 0 101 1,-0.3 -2,-0.0 -2,-0.3 0, 0.0 0.667 122.0 55.9 -71.1 -11.8 11.3 -322.1 21.5 13 13 A L T 3 S- 0 0 44 3,-0.0 -1,-0.3 149,-0.0 -3,-0.0 0.436 106.2-120.7 -98.7 0.6 8.0 -320.7 20.0 14 14 A D < + 0 0 0 -3,-1.5 -2,-0.1 2,-0.1 3,-0.1 0.925 54.4 158.9 59.5 42.5 9.5 -318.6 17.2 15 15 A D - 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0 0 64 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.131 30.0-159.9 -56.5 134.5 31.4 -301.5 15.9 28 28 A Q E < -G 23 0C 35 -5,-2.2 -5,-2.9 -4,-0.1 2,-0.5 -0.969 18.3-142.3-107.2 124.9 28.8 -302.1 18.6 29 29 A T E +G 22 0C 73 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.787 23.6 176.5 -95.7 127.6 26.9 -305.3 17.9 30 30 A L E -G 21 0C 1 -9,-3.0 -9,-3.1 -2,-0.5 2,-0.9 -0.958 31.7-125.7-127.4 148.7 23.2 -305.3 18.7 31 31 A N E -G 20 0C 63 -2,-0.3 91,-3.2 -11,-0.2 92,-0.5 -0.830 39.0-175.4 -93.7 102.7 20.5 -307.9 18.2 32 32 A L E -Gi 19 123C 0 -13,-2.3 -13,-2.8 -2,-0.9 2,-0.8 -0.700 28.3-123.3-104.1 151.2 17.7 -306.2 16.2 33 33 A D E - i 0 124C 10 90,-2.4 92,-2.7 -2,-0.3 2,-0.6 -0.823 25.3-139.5 -91.1 108.9 14.3 -307.4 15.1 34 34 A F E - i 0 125C 1 -2,-0.8 2,-0.5 -17,-0.4 92,-0.2 -0.638 25.6-172.7 -70.7 116.3 14.1 -307.1 11.4 35 35 A D E > - i 0 126C 6 90,-2.5 92,-2.6 -2,-0.6 3,-1.5 -0.907 25.8-175.7-124.3 102.1 10.5 -305.8 10.7 36 36 A T T 3 S+ 0 0 1 -2,-0.5 158,-0.6 1,-0.3 93,-0.2 0.468 85.0 69.5 -77.4 3.6 9.1 -305.5 7.2 37 37 A G T 3 S+ 0 0 1 91,-0.1 2,-0.3 156,-0.1 -1,-0.3 0.298 103.7 34.2 -97.2 3.0 6.0 -303.9 8.9 38 38 A S < - 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0 0 63 60,-2.3 3,-1.7 -2,-0.2 4,-0.2 -0.271 35.9-134.8 -46.4 120.7 15.8 -294.0 31.0 50 50 A A G > S+ 0 0 81 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.828 101.6 56.6 -59.6 -41.0 17.7 -296.4 33.2 51 51 A S G 3 S+ 0 0 105 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.722 106.3 54.3 -67.7 -14.5 14.7 -297.9 35.0 52 52 A E G < 0 0 55 -3,-1.7 -1,-0.3 65,-0.0 -2,-0.2 0.404 360.0 360.0 -94.1 -1.3 13.4 -298.8 31.6 53 53 A V < 0 0 68 -3,-1.9 63,-0.1 -4,-0.2 64,-0.0 -0.873 360.0 360.0-100.4 360.0 16.5 -300.7 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 55 A Q 0 0 52 0, 0.0 2,-0.4 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 157.7 19.3 -305.4 26.6 56 56 A T - 0 0 75 63,-0.2 -12,-0.3 -25,-0.1 2,-0.3 -0.763 360.0-144.8 -87.5 134.0 22.6 -304.3 25.0 57 57 A I - 0 0 57 -2,-0.4 2,-0.5 -14,-0.1 -12,-0.3 -0.693 8.7-123.1-109.7 158.6 22.7 -300.6 24.4 58 58 A Y B -o 45 0D 0 -14,-2.6 -12,-2.6 -2,-0.3 -11,-0.3 -0.793 18.7-160.9 -88.3 130.7 24.1 -298.2 21.8 59 59 A T > - 0 0 32 -2,-0.5 3,-2.0 -14,-0.2 4,-0.3 -0.841 6.4-173.3-116.4 97.4 26.5 -295.6 23.1 60 60 A P G > S+ 0 0 7 0, 0.0 3,-1.9 0, 0.0 6,-0.3 0.830 83.2 62.1 -52.5 -37.1 26.7 -292.8 20.6 61 61 A S G 3 S+ 0 0 102 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.628 99.9 55.5 -72.1 -11.1 29.5 -291.1 22.5 62 62 A K G < S+ 0 0 139 -3,-2.0 2,-0.5 -36,-0.0 -1,-0.3 0.477 91.5 85.7 -96.6 -3.9 31.7 -294.1 22.0 63 63 A S X - 0 0 10 -3,-1.9 3,-0.8 -4,-0.3 -39,-0.1 -0.879 61.6-158.6-100.4 123.9 31.3 -294.1 18.2 64 64 A T T 3 S+ 0 0 116 -39,-2.9 -1,-0.1 -2,-0.5 -3,-0.0 0.685 94.5 49.3 -71.0 -15.4 33.8 -291.8 16.3 65 65 A T T 3 S+ 0 0 53 -40,-0.3 -1,-0.2 27,-0.1 37,-0.1 0.502 82.9 112.8-102.7 -1.9 31.4 -291.7 13.3 66 66 A A < - 0 0 23 -3,-0.8 2,-0.4 -6,-0.3 25,-0.2 -0.458 43.6-172.3 -71.6 143.0 28.1 -290.8 15.1 67 67 A K E -L 90 0C 146 23,-2.2 23,-2.4 -2,-0.1 2,-0.2 -0.995 25.2-119.4-137.6 130.7 26.6 -287.4 14.4 68 68 A L E -L 89 0C 105 -2,-0.4 2,-1.1 21,-0.2 21,-0.3 -0.430 19.9-136.9 -66.3 134.5 23.7 -285.8 16.2 69 69 A L E > - 0 0 53 19,-3.2 3,-1.7 -2,-0.2 19,-0.4 -0.779 32.0-129.5 -94.7 101.5 20.8 -285.0 13.8 70 70 A S E 3 S- 0 0 102 -2,-1.1 3,-0.1 1,-0.3 19,-0.0 -0.200 76.7 -4.0 -61.2 133.9 20.0 -281.6 15.1 71 71 A G E 3 S+ 0 0 71 1,-0.2 2,-0.3 66,-0.0 -1,-0.3 0.310 97.1 131.0 72.0 -6.6 16.4 -280.8 16.0 72 72 A A E < + 0 0 8 -3,-1.7 16,-0.6 16,-0.2 2,-0.3 -0.580 28.5 172.4 -87.0 142.3 15.1 -284.2 14.8 73 73 A T E -LM 87 136C 76 63,-2.5 63,-2.7 -2,-0.3 2,-0.3 -0.922 12.7-157.3-136.5 163.6 12.8 -286.4 17.0 74 74 A W E -L 86 0C 8 12,-1.9 12,-2.1 -2,-0.3 2,-0.3 -0.981 9.3-179.3-142.9 155.7 10.8 -289.6 16.6 75 75 A S E +L 85 0C 85 59,-0.4 2,-0.4 -2,-0.3 10,-0.2 -0.926 13.8 175.6-151.4 122.7 7.8 -291.3 18.2 76 76 A I E -L 84 0C 5 8,-3.1 8,-1.9 -2,-0.3 2,-0.3 -0.979 13.4-174.0-137.3 150.1 6.4 -294.7 17.2 77 77 A S E -L 83 0C 58 -2,-0.4 6,-0.3 6,-0.2 2,-0.2 -0.974 17.6-143.1-134.8 153.6 3.8 -297.1 18.3 78 78 A Y > - 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