==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 27-FEB-02 1GVX . 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 . 333 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13580.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 67.9 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 . 104 31.2 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 . 37 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 5.4 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 1 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 4 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 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 61 0, 0.0 151,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 163.9 28.6 32.6 -2.6 2 2 A T - 0 0 60 149,-0.2 2,-0.3 95,-0.1 169,-0.2 -0.939 360.0-155.4-141.7 163.8 26.5 30.0 -0.6 3 3 A G E -A 170 0A 2 167,-1.9 167,-2.7 -2,-0.3 2,-0.3 -0.989 4.1-171.1-139.2 155.3 25.8 29.0 3.0 4 4 A S E +A 169 0A 66 92,-2.0 2,-0.3 -2,-0.3 165,-0.2 -0.945 11.7 174.5-146.5 121.0 24.6 25.7 4.7 5 5 A A E -A 168 0A 10 163,-2.4 163,-2.4 -2,-0.3 2,-0.4 -0.959 29.2-119.4-131.3 145.4 23.6 25.4 8.5 6 6 A T E -A 167 0A 81 -2,-0.3 2,-0.4 161,-0.2 161,-0.3 -0.696 22.9-156.7 -84.1 133.9 22.1 22.6 10.7 7 7 A T E -A 166 0A 0 159,-1.8 159,-2.5 -2,-0.4 154,-0.2 -0.931 10.5-166.6-113.9 135.0 18.6 23.2 12.3 8 8 A T E -F 18 0B 64 10,-2.4 10,-2.5 -2,-0.4 2,-0.1 -0.926 25.3-110.6-124.8 136.5 17.7 21.2 15.5 9 9 A P E -F 17 0B 24 0, 0.0 8,-0.3 0, 0.0 3,-0.0 -0.486 22.7-140.5 -60.8 140.8 14.3 20.7 17.3 10 10 A I S S+ 0 0 30 6,-2.5 2,-0.2 -2,-0.1 7,-0.1 0.687 76.7 1.4 -74.1 -21.9 14.2 22.5 20.7 11 11 A D S > S- 0 0 61 5,-0.4 3,-1.3 0, 0.0 5,-0.1 -0.884 88.7 -80.6-156.1 179.2 12.4 19.6 22.6 12 12 A S T 3 S+ 0 0 99 -2,-0.2 -2,-0.0 1,-0.2 0, 0.0 0.552 120.8 56.1 -70.9 -11.2 10.9 16.1 22.2 13 13 A L T 3 S- 0 0 48 3,-0.0 -1,-0.2 267,-0.0 -3,-0.0 0.352 106.1-118.9-103.4 1.0 7.6 17.4 20.6 14 14 A D < + 0 0 1 -3,-1.3 -2,-0.1 2,-0.1 3,-0.1 0.897 56.4 158.0 56.7 40.8 9.2 19.4 17.6 15 15 A D - 0 0 23 1,-0.2 317,-0.7 316,-0.1 2,-0.3 0.849 66.6 -17.1 -63.3 -34.4 7.6 22.6 19.1 16 16 A A - 0 0 2 -5,-0.1 -6,-2.5 315,-0.1 -5,-0.4 -0.954 64.4-122.7-162.8 165.6 10.2 24.8 17.3 17 17 A Y E -F 9 0B 5 -2,-0.3 17,-0.4 -8,-0.3 2,-0.3 -0.968 17.8-155.6-124.0 140.0 13.6 24.6 15.5 18 18 A I E -F 8 0B 23 -10,-2.5 -10,-2.4 -2,-0.4 15,-0.2 -0.888 6.6-171.2-117.9 147.6 16.9 26.5 16.3 19 19 A T E -G 32 0C 0 13,-2.2 13,-2.4 -2,-0.3 -12,-0.2 -0.997 29.7-109.8-136.0 133.3 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 -0.443 33.2-172.1 -68.9 143.5 23.3 28.9 14.9 21 21 A V E -G 30 0C 0 9,-2.5 9,-2.5 74,-0.1 2,-0.5 -1.000 15.7-143.1-135.8 129.4 24.0 32.5 13.8 22 22 A Q E -GH 29 94C 58 72,-2.5 72,-2.4 -2,-0.4 2,-0.4 -0.845 22.4-175.2 -94.7 122.8 27.4 34.4 14.1 23 23 A I E > -GH 28 93C 0 5,-2.5 5,-2.2 -2,-0.5 70,-0.2 -0.971 40.8 -10.2-122.4 128.5 26.9 38.2 15.0 24 24 A G T 5S- 0 0 9 68,-2.8 39,-0.1 -2,-0.4 67,-0.1 -0.152 89.1 -39.9 89.7 179.4 29.8 40.8 15.2 25 25 A T T 5S+ 0 0 56 1,-0.2 39,-2.6 2,-0.1 40,-0.3 -0.977 132.0 27.1-132.5 116.3 33.6 40.9 15.3 26 26 A P T 5S- 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.671 121.5-102.4 -62.2 157.6 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 -0.303 29.2-157.5 -58.8 137.1 31.9 36.5 16.2 28 28 A Q E < -G 23 0C 35 -5,-2.2 -5,-2.5 -2,-0.0 2,-0.6 -0.970 17.3-142.9-108.4 118.7 29.2 36.0 19.0 29 29 A T E +G 22 0C 75 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.756 25.1 172.6 -92.5 120.8 27.2 32.7 18.3 30 30 A L E -G 21 0C 0 -9,-2.5 -9,-2.5 -2,-0.6 2,-0.7 -0.918 32.6-125.9-119.1 148.7 23.5 32.8 19.2 31 31 A N E -G 20 0C 63 -2,-0.3 91,-2.6 -11,-0.2 92,-0.4 -0.878 37.0-173.6 -96.1 110.0 20.8 30.0 18.5 32 32 A L E -G 19 0C 0 -13,-2.4 -13,-2.2 -2,-0.7 2,-0.7 -0.775 28.4-121.7-107.0 150.8 17.9 31.8 16.6 33 33 A D E -i 124 0C 10 90,-2.4 92,-2.1 -2,-0.3 2,-0.5 -0.820 27.7-139.8 -88.8 109.7 14.4 30.5 15.4 34 34 A F E -i 125 0C 1 -2,-0.7 2,-0.6 -17,-0.4 92,-0.2 -0.636 24.5-169.1 -74.4 118.5 14.2 31.0 11.6 35 35 A D E > -i 126 0C 8 90,-2.3 92,-2.4 -2,-0.5 3,-1.4 -0.889 25.7-175.9-123.9 100.9 10.6 32.3 10.9 36 36 A T T 3 S+ 0 0 0 -2,-0.6 158,-0.5 1,-0.2 93,-0.1 0.534 85.9 67.0 -72.1 -1.0 9.2 32.5 7.3 37 37 A G T 3 S+ 0 0 1 91,-0.1 2,-0.3 156,-0.1 -1,-0.2 0.291 105.2 35.8 -97.2 8.2 6.1 34.2 8.9 38 38 A S < - 0 0 0 -3,-1.4 90,-2.7 87,-0.1 89,-0.8 -0.934 63.1-142.0-151.9 177.1 7.8 37.4 10.0 39 39 A S + 0 0 2 93,-0.3 2,-0.4 -2,-0.3 94,-0.1 0.118 61.7 101.4-138.6 22.5 10.6 39.9 8.8 40 40 A D - 0 0 0 93,-0.1 86,-0.9 92,-0.1 2,-0.7 -0.930 51.9-153.5-113.3 136.1 12.6 41.0 12.0 41 41 A L E +J 125 0C 6 -2,-0.4 65,-2.8 63,-0.3 2,-0.3 -0.942 36.2 164.9-100.1 102.2 16.1 39.7 13.1 42 42 A W E -Jk 124 106C 0 82,-1.6 82,-1.6 -2,-0.7 2,-0.3 -0.945 14.8-169.6-126.6 149.4 15.9 40.4 16.9 43 43 A V E -Jk 123 107C 0 63,-2.3 65,-2.4 -2,-0.3 80,-0.2 -0.965 32.3-104.9-136.8 148.1 18.1 39.1 19.8 44 44 A F + 0 0 0 78,-2.5 14,-2.3 -2,-0.3 2,-0.3 -0.498 57.7 177.6 -55.1 143.4 18.4 38.9 23.6 45 45 A S B > -o 58 0D 2 63,-0.4 3,-1.4 12,-0.3 14,-0.2 -0.891 50.9 -92.1-148.6 169.8 21.1 41.5 24.5 46 46 A S T 3 S+ 0 0 61 12,-2.0 13,-0.1 -2,-0.3 4,-0.1 0.639 124.1 59.4 -59.1 -16.1 23.2 43.3 27.2 47 47 A E T 3 S+ 0 0 60 11,-0.3 -1,-0.2 61,-0.1 2,-0.2 0.559 79.1 110.1 -86.0 -16.1 20.3 45.9 26.9 48 48 A T S < S- 0 0 11 -3,-1.4 62,-0.2 1,-0.1 61,-0.2 -0.449 87.3 -94.4 -69.4 134.7 17.5 43.5 27.9 49 49 A T > - 0 0 61 60,-2.4 3,-2.2 -2,-0.2 4,-0.4 -0.207 37.0-131.1 -45.1 125.6 15.9 44.1 31.4 50 50 A A G > S+ 0 0 87 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.834 103.9 56.3 -62.4 -37.4 17.9 41.7 33.7 51 51 A S G 3 S+ 0 0 106 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.635 105.5 54.3 -65.1 -16.6 14.8 40.2 35.4 52 52 A E G < 0 0 55 -3,-2.2 -1,-0.2 65,-0.0 -2,-0.2 0.403 360.0 360.0 -96.2 -3.3 13.5 39.2 31.9 53 53 A V < 0 0 69 -3,-1.4 63,-0.1 -4,-0.4 64,-0.0 -0.867 360.0 360.0 -98.9 360.0 16.7 37.3 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 55 0, 0.0 2,-0.4 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 154.3 19.6 32.6 27.0 56 57 A T - 0 0 75 63,-0.2 2,-0.3 -25,-0.1 -12,-0.3 -0.761 360.0-146.4 -82.8 132.4 22.9 33.6 25.3 57 58 A I - 0 0 63 -2,-0.4 2,-0.4 -14,-0.1 -12,-0.3 -0.764 9.6-128.7-108.3 150.3 23.1 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 -0.833 17.9-162.5 -87.8 129.9 24.5 39.8 22.1 59 60 A T > - 0 0 27 -2,-0.4 3,-1.7 -14,-0.2 4,-0.2 -0.919 3.6-168.5-113.6 100.0 26.8 42.6 23.5 60 61 A P G > S+ 0 0 8 0, 0.0 3,-1.9 0, 0.0 6,-0.3 0.844 83.7 64.2 -61.4 -32.4 27.2 45.3 20.8 61 62 A S G 3 S+ 0 0 111 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.610 98.5 55.5 -68.6 -10.0 30.0 47.1 22.8 62 63 A K G < S+ 0 0 151 -3,-1.7 2,-0.5 -36,-0.0 -1,-0.3 0.443 92.3 85.7 -96.4 -1.5 32.2 44.0 22.4 63 64 A S X - 0 0 11 -3,-1.9 3,-1.0 -4,-0.2 -39,-0.1 -0.899 61.3-158.8-105.3 121.2 31.9 44.0 18.5 64 65 A T T 3 S+ 0 0 120 -39,-2.6 -1,-0.1 -2,-0.5 -3,-0.0 0.706 94.8 50.5 -69.3 -19.2 34.4 46.2 16.5 65 66 A T T 3 S+ 0 0 54 -40,-0.3 -1,-0.2 27,-0.1 2,-0.2 0.466 82.3 115.3 -97.3 -4.3 31.9 46.2 13.5 66 67 A A < - 0 0 26 -3,-1.0 2,-0.4 -6,-0.3 25,-0.2 -0.494 40.5-175.7 -74.8 137.7 28.7 47.3 15.4 67 68 A K E -L 90 0C 145 23,-2.1 23,-2.3 -2,-0.2 2,-0.3 -0.999 25.9-124.5-130.0 128.3 27.1 50.7 14.5 68 69 A L E -L 89 0C 106 -2,-0.4 2,-1.0 21,-0.2 21,-0.2 -0.618 18.8-136.2 -69.3 129.0 24.1 52.3 16.2 69 70 A L E > - 0 0 56 19,-2.7 3,-1.8 -2,-0.3 19,-0.4 -0.774 33.6-128.3 -85.1 99.3 21.2 53.2 13.7 70 71 A S E 3 S+ 0 0 105 -2,-1.0 19,-0.0 1,-0.2 -1,-0.0 -0.216 79.6 3.5 -63.5 133.7 20.4 56.6 15.1 71 72 A G E 3 S+ 0 0 73 1,-0.2 2,-0.3 66,-0.0 -1,-0.2 0.391 95.6 132.6 81.1 -5.3 16.7 57.4 15.9 72 73 A A E < + 0 0 9 -3,-1.8 16,-0.6 16,-0.2 2,-0.3 -0.633 26.0 169.7 -89.8 138.3 15.5 53.8 15.0 73 74 A T E -LM 87 136C 83 63,-2.3 63,-2.5 -2,-0.3 2,-0.3 -0.895 12.1-159.4-135.9 165.4 13.1 51.7 17.2 74 75 A W E +L 86 0C 8 12,-1.7 12,-1.8 -2,-0.3 2,-0.3 -0.978 10.3 177.7-145.6 157.9 11.1 48.4 16.8 75 76 A S E +L 85 0C 83 -2,-0.3 2,-0.3 59,-0.3 10,-0.2 -0.872 12.0 176.0-163.4 125.2 8.0 46.6 18.3 76 77 A I E -L 84 0C 4 8,-2.3 8,-1.7 -2,-0.3 2,-0.3 -0.966 13.1-169.5-137.3 150.0 6.4 43.3 17.3 77 78 A S E -L 83 0C 49 -2,-0.3 259,-2.3 6,-0.2 6,-0.2 -0.977 14.9-147.5-136.0 153.7 3.7 40.8 18.4 78 79 A Y > - 0 0 11 4,-2.2 3,-2.3 -2,-0.3 -40,-0.0 -0.599 33.9 -94.1-116.9 172.6 3.0 37.3 17.1 79 80 A G T 3 S+ 0 0 29 254,-1.5 142,-0.0 1,-0.3 253,-0.0 0.732 122.3 55.7 -62.4 -23.1 -0.2 35.1 16.6 80 81 A D T 3 S- 0 0 60 253,-0.3 -1,-0.3 2,-0.0 0, 0.0 0.253 121.6-104.5 -87.8 3.1 0.2 33.4 20.0 81 82 A G S < S+ 0 0 62 -3,-2.3 -2,-0.1 1,-0.3 2,-0.0 0.335 75.9 137.8 86.5 -2.9 0.2 36.9 21.8 82 83 A S + 0 0 11 30,-0.1 -4,-2.2 -5,-0.1 2,-0.3 -0.271 27.6 175.0 -72.9 159.3 4.0 37.0 22.5 83 84 A S E +L 77 0C 51 -6,-0.2 29,-2.4 2,-0.0 2,-0.3 -0.988 19.0 179.6-158.3 167.0 5.9 40.3 22.0 84 85 A S E -LN 76 111C 6 -8,-1.7 -8,-2.3 -2,-0.3 2,-0.3 -0.964 6.0-176.6-165.4 164.5 9.3 42.3 22.2 85 86 A S E +LN 75 110C 26 25,-1.7 24,-2.4 -2,-0.3 25,-1.5 -0.981 18.8 116.3-160.7 165.2 10.7 45.8 21.5 86 87 A G E -LN 74 108C 7 -12,-1.8 -12,-1.7 -2,-0.3 22,-0.2 -0.948 52.4 -49.7 168.5-150.0 14.0 47.9 21.5 87 88 A D E -LN 73 107C 24 20,-1.4 20,-1.9 -2,-0.3 2,-0.4 -0.491 47.6-112.2-116.8-177.3 16.6 49.8 19.5 88 89 A V E + N 0 106C 0 -16,-0.6 -19,-2.7 -19,-0.4 2,-0.3 -0.984 23.4 177.9-136.5 130.0 18.7 48.9 16.3 89 90 A Y E -LN 68 105C 38 16,-2.4 16,-3.0 -2,-0.4 2,-0.4 -0.806 22.4-137.9-111.7 157.4 22.4 48.3 15.3 90 91 A T E +LN 67 104C 26 -23,-2.3 -23,-2.1 -2,-0.3 2,-0.3 -0.956 40.2 148.5-105.7 144.6 23.9 47.3 12.0 91 92 A D E - 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