==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-OCT-10 3PCZ . COMPND 2 MOLECULE: ENDOTHIAPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPHONECTRIA PARASITICA; . AUTHOR H.KOESTER,A.HEINE,G.KLEBE . 330 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13094.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 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 . 39 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 4.8 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 1 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 2 2 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 4 4 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 57 0, 0.0 152,-2.2 0, 0.0 153,-0.3 0.000 360.0 360.0 360.0 163.3 22.6 -13.1 11.4 2 2 A T - 0 0 59 150,-0.2 2,-0.3 96,-0.1 170,-0.2 -0.931 360.0-159.7-146.0 163.1 19.8 -12.7 8.9 3 3 A G E -A 171 0A 2 168,-2.0 168,-2.7 -2,-0.3 2,-0.3 -0.976 3.6-171.8-141.5 155.5 16.0 -13.2 8.8 4 4 A S E +A 170 0A 61 93,-2.0 2,-0.3 -2,-0.3 166,-0.2 -0.925 10.2 172.6-150.0 122.9 13.5 -13.8 6.0 5 5 A A E -A 169 0A 8 164,-2.7 164,-2.7 -2,-0.3 2,-0.3 -0.982 29.4-121.7-135.6 145.4 9.7 -13.8 6.4 6 6 A T E -A 168 0A 76 -2,-0.3 2,-0.4 162,-0.2 162,-0.3 -0.652 22.4-155.5 -83.4 139.2 6.8 -13.9 3.9 7 7 A T E -A 167 0A 0 160,-2.1 160,-3.0 -2,-0.3 12,-0.2 -0.958 10.0-163.2-119.7 139.4 4.2 -11.1 4.1 8 8 A T E -F 18 0B 61 10,-2.3 10,-2.6 -2,-0.4 153,-0.0 -0.960 24.2-109.6-129.5 132.0 0.7 -11.7 2.8 9 9 A P E -F 17 0B 23 0, 0.0 8,-0.3 0, 0.0 3,-0.0 -0.353 22.0-141.3 -58.1 142.1 -2.2 -9.3 1.9 10 10 A I S S+ 0 0 32 6,-2.4 2,-0.3 1,-0.0 7,-0.1 0.635 77.7 1.4 -79.7 -14.3 -5.0 -9.4 4.4 11 11 A D S > S- 0 0 60 5,-0.4 3,-1.5 110,-0.0 5,-0.1 -0.914 90.3 -78.4-162.8-179.5 -7.7 -9.1 1.8 12 12 A S T 3 S+ 0 0 100 1,-0.3 -2,-0.0 -2,-0.3 0, 0.0 0.528 121.9 53.5 -74.9 -4.2 -8.3 -8.9 -2.0 13 13 A L T 3 S- 0 0 54 3,-0.1 -1,-0.3 267,-0.1 268,-0.0 0.336 106.7-117.9-107.6 3.5 -7.5 -5.2 -2.1 14 14 A D < + 0 0 0 -3,-1.5 -2,-0.1 2,-0.1 3,-0.1 0.905 53.7 161.8 56.4 43.0 -4.0 -5.4 -0.5 15 15 A D - 0 0 58 1,-0.2 2,-0.3 292,-0.0 292,-0.1 0.871 69.1 -21.2 -61.4 -35.2 -5.4 -3.1 2.3 16 16 A A - 0 0 10 -5,-0.1 -6,-2.4 207,-0.1 -5,-0.4 -0.935 65.9-121.3-159.5 172.9 -2.5 -4.2 4.5 17 17 A Y E -F 9 0B 3 -2,-0.3 2,-0.4 -8,-0.3 17,-0.3 -0.961 18.3-152.9-125.1 142.8 0.0 -7.0 4.7 18 18 A I E -F 8 0B 26 -10,-2.6 -10,-2.3 -2,-0.4 15,-0.2 -0.920 6.3-168.3-120.2 142.3 0.6 -9.4 7.7 19 19 A T E -G 32 0C 0 13,-2.8 13,-2.6 -2,-0.4 2,-0.2 -0.987 28.2-113.9-126.5 130.9 3.8 -11.2 8.6 20 20 A P E -G 31 0C 49 0, 0.0 77,-0.4 0, 0.0 2,-0.4 -0.513 34.2-172.6 -72.4 139.5 4.1 -13.9 11.2 21 21 A V E -G 30 0C 0 9,-2.6 9,-2.6 -2,-0.2 2,-0.5 -0.996 17.0-140.1-134.5 130.0 6.1 -13.1 14.3 22 22 A Q E -GH 29 95C 56 73,-2.7 73,-3.0 -2,-0.4 2,-0.4 -0.833 23.0-178.5 -94.9 127.3 7.1 -15.4 17.1 23 23 A I E > -GH 28 94C 0 5,-2.8 5,-1.9 -2,-0.5 71,-0.2 -0.988 41.1 -8.0-127.2 130.5 6.9 -13.9 20.6 24 24 A G T 5S- 0 0 9 69,-2.8 4,-0.1 -2,-0.4 40,-0.1 -0.055 87.6 -42.4 85.6 176.6 7.9 -15.6 23.8 25 25 A T T 5S+ 0 0 56 2,-0.1 40,-2.7 1,-0.1 41,-0.3 -0.993 130.3 27.7-128.2 116.1 8.9 -19.0 25.1 26 26 A P T 5S- 0 0 97 0, 0.0 40,-0.1 0, 0.0 -1,-0.1 0.691 121.7 -99.3 -64.0 162.6 7.3 -21.3 24.0 27 27 A A T 5 - 0 0 63 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.230 32.6-162.7 -61.5 140.6 6.7 -19.3 20.8 28 28 A Q E < -G 23 0C 33 -5,-1.9 -5,-2.8 -4,-0.1 2,-0.6 -0.998 16.2-147.0-114.0 119.7 3.4 -17.5 20.3 29 29 A T E +G 22 0C 71 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.847 21.1 175.3 -98.1 123.5 2.9 -16.6 16.7 30 30 A L E -G 21 0C 0 -9,-2.6 -9,-2.6 -2,-0.6 2,-0.8 -0.916 31.3-125.4-120.7 147.6 1.0 -13.5 15.9 31 31 A N E -G 20 0C 58 -2,-0.3 92,-2.6 -11,-0.2 93,-0.5 -0.843 37.3-173.0 -95.6 110.2 0.4 -11.9 12.5 32 32 A L E -G 19 0C 0 -13,-2.6 -13,-2.8 -2,-0.8 2,-0.7 -0.750 27.6-124.3-110.3 152.4 1.7 -8.4 12.6 33 33 A D E -i 125 0C 14 91,-2.2 93,-2.2 -2,-0.3 2,-0.5 -0.874 27.6-139.0 -92.4 110.4 1.5 -5.5 10.2 34 34 A F E -i 126 0C 1 -2,-0.7 2,-0.6 -17,-0.3 93,-0.2 -0.637 22.6-169.4 -75.2 123.3 5.0 -4.2 9.5 35 35 A D E > -i 127 0C 9 91,-2.5 93,-2.6 -2,-0.5 3,-1.6 -0.904 23.0-175.5-124.3 96.8 4.9 -0.5 9.5 36 36 A T T 3 S+ 0 0 1 -2,-0.6 159,-0.5 1,-0.3 94,-0.2 0.452 86.8 64.3 -73.5 4.0 8.0 1.5 8.3 37 37 A G T 3 S+ 0 0 13 92,-0.1 2,-0.3 157,-0.1 -1,-0.3 0.281 105.3 39.2-104.1 8.2 6.0 4.7 9.2 38 38 A S < - 0 0 8 -3,-1.6 91,-2.7 88,-0.1 90,-0.9 -0.927 63.2-144.6-148.6 176.4 5.9 4.0 13.0 39 39 A S + 0 0 2 94,-0.3 2,-0.4 -2,-0.3 95,-0.1 0.090 60.3 101.4-137.9 22.2 8.1 2.6 15.7 40 40 A D - 0 0 0 94,-0.1 87,-0.9 -5,-0.1 2,-0.7 -0.924 51.4-153.9-111.3 136.3 6.0 0.6 18.2 41 41 A L E +J 126 0C 6 -2,-0.4 66,-2.6 64,-0.3 2,-0.3 -0.959 34.1 164.3-101.5 109.1 5.7 -3.2 18.3 42 42 A W E -Jk 125 107C 0 83,-1.8 83,-1.6 -2,-0.7 2,-0.3 -0.946 15.2-168.8-132.0 148.5 2.2 -3.7 19.9 43 43 A V E -Jk 124 108C 0 64,-2.4 66,-2.7 -2,-0.3 81,-0.2 -0.966 32.0-106.9-136.3 148.1 -0.0 -6.7 20.1 44 44 A F + 0 0 0 79,-2.7 15,-2.4 -2,-0.3 2,-0.3 -0.518 57.7 170.5 -60.6 144.0 -3.5 -7.8 21.1 45 45 A S B > -o 59 0D 1 64,-0.4 3,-1.8 13,-0.3 15,-0.2 -0.881 53.3 -82.8-152.8 173.0 -3.0 -9.6 24.4 46 46 A S T 3 S+ 0 0 61 13,-2.2 14,-0.1 -2,-0.3 4,-0.1 0.606 124.6 59.5 -61.8 -13.3 -4.6 -11.2 27.4 47 47 A E T 3 S+ 0 0 53 12,-0.3 -1,-0.3 62,-0.2 2,-0.2 0.480 78.3 113.2 -92.8 -8.7 -4.8 -7.7 28.8 48 48 A T S < S- 0 0 10 -3,-1.8 63,-0.2 1,-0.1 62,-0.2 -0.537 86.3 -95.9 -72.3 131.5 -7.0 -6.3 26.0 49 49 A T > - 0 0 60 61,-2.3 3,-2.7 -2,-0.2 4,-0.3 -0.196 36.4-131.3 -44.4 119.8 -10.5 -5.3 27.0 50 50 A A G > S+ 0 0 86 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.872 104.3 57.9 -53.8 -41.0 -12.4 -8.5 26.2 51 51 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.609 103.3 56.5 -66.1 -7.1 -15.2 -6.6 24.4 52 52 A E G < S+ 0 0 50 -3,-2.7 2,-0.5 65,-0.0 -1,-0.3 0.323 90.4 83.2-104.9 3.4 -12.5 -5.1 22.0 53 53 A V < + 0 0 41 -3,-1.7 2,-0.1 -4,-0.3 64,-0.1 -0.949 47.3 164.2-109.0 126.9 -11.1 -8.5 20.9 54 54 A D S S- 0 0 111 -2,-0.5 -3,-0.0 63,-0.2 66,-0.0 -0.597 74.1 -29.8-145.5 79.2 -13.0 -10.2 18.0 55 55 A G S S+ 0 0 61 1,-0.3 -2,-0.1 -2,-0.1 2,-0.0 0.224 95.2 130.6 99.6 -13.3 -11.1 -13.0 16.3 56 56 A Q - 0 0 14 61,-0.1 2,-0.4 66,-0.1 -1,-0.3 -0.338 61.6-116.5 -70.5 154.3 -7.5 -11.8 16.8 57 57 A T - 0 0 70 63,-0.2 2,-0.3 -26,-0.1 -13,-0.3 -0.772 37.1-148.7 -81.0 134.8 -4.8 -14.0 18.1 58 58 A I - 0 0 58 -2,-0.4 2,-0.4 -15,-0.1 -13,-0.3 -0.786 10.8-126.5-111.7 150.7 -3.5 -12.6 21.4 59 59 A Y B -o 45 0D 0 -15,-2.4 -13,-2.2 -2,-0.3 -12,-0.3 -0.807 20.0-163.4 -86.8 131.6 -0.2 -12.6 23.2 60 60 A T > - 0 0 20 -2,-0.4 3,-1.8 -15,-0.2 4,-0.2 -0.878 6.0-172.3-120.3 93.8 -0.4 -14.0 26.8 61 61 A P G > S+ 0 0 7 0, 0.0 3,-1.8 0, 0.0 6,-0.3 0.800 81.0 68.0 -62.5 -25.3 2.8 -13.0 28.6 62 62 A S G 3 S+ 0 0 114 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.688 99.1 53.1 -67.8 -14.5 1.9 -15.2 31.6 63 63 A K G < S+ 0 0 149 -3,-1.8 2,-0.5 -37,-0.0 -1,-0.3 0.436 92.9 87.7 -97.2 -2.0 2.5 -18.2 29.4 64 64 A S X - 0 0 10 -3,-1.8 3,-0.9 -4,-0.2 -40,-0.1 -0.884 61.0-159.3-103.7 121.3 6.0 -17.0 28.3 65 65 A T T 3 S+ 0 0 118 -40,-2.7 -1,-0.1 -2,-0.5 -3,-0.0 0.658 95.6 49.7 -72.9 -11.5 8.9 -18.1 30.5 66 66 A T T 3 S+ 0 0 55 -41,-0.3 -1,-0.2 -40,-0.1 2,-0.2 0.432 83.6 112.1-106.8 -4.9 10.9 -15.2 29.0 67 67 A A < - 0 0 29 -3,-0.9 2,-0.4 -6,-0.3 25,-0.2 -0.502 41.4-176.9 -73.0 137.9 8.4 -12.4 29.5 68 68 A K E -L 91 0C 47 23,-2.3 23,-2.7 -2,-0.2 2,-0.2 -0.994 29.0-119.2-133.9 128.4 9.2 -9.6 32.0 69 69 A L E -L 90 0C 90 -2,-0.4 2,-1.5 21,-0.2 21,-0.3 -0.470 18.7-139.3 -62.4 129.8 6.9 -6.7 32.9 70 70 A L E > - 0 0 49 19,-2.8 3,-2.3 -2,-0.2 19,-0.3 -0.699 35.9-132.3 -91.7 84.4 8.7 -3.4 32.0 71 71 A S E 3 S+ 0 0 101 -2,-1.5 3,-0.1 1,-0.3 19,-0.0 -0.124 75.3 3.8 -56.8 126.2 7.4 -1.9 35.2 72 72 A G E 3 S+ 0 0 69 1,-0.3 2,-0.3 17,-0.1 -1,-0.3 0.228 94.5 130.5 91.5 -14.0 5.8 1.5 34.9 73 73 A A E < + 0 0 6 -3,-2.3 16,-0.7 16,-0.2 2,-0.3 -0.547 29.1 172.8 -79.2 134.6 6.1 1.7 31.1 74 74 A T E -LM 88 137C 75 63,-2.8 63,-2.7 -2,-0.3 2,-0.3 -0.919 11.2-160.8-134.9 166.4 3.1 2.7 29.1 75 75 A W E -L 87 0C 7 12,-2.0 12,-2.1 -2,-0.3 2,-0.3 -0.973 9.2-179.7-147.6 157.2 2.3 3.5 25.5 76 76 A S E +L 86 0C 82 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.904 12.2 169.3-159.6 127.0 -0.3 5.2 23.4 77 77 A I E -L 85 0C 19 8,-2.6 8,-2.1 -2,-0.3 2,-0.3 -0.982 16.2-161.0-145.0 151.7 -0.4 5.6 19.6 78 78 A S E -L 84 0C 85 -2,-0.3 6,-0.3 6,-0.2 2,-0.2 -0.933 16.5-144.1-129.2 157.7 -2.7 6.8 16.8 79 79 A Y > - 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