==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-MAY-01 1J71 . COMPND 2 MOLECULE: ASPARTIC PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA TROPICALIS; . AUTHOR J.SYMERSKY,M.MONOD,S.I.FOUNDLING . 338 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 33.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 1 0.3 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 . 40 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 0 0 1 0 0 0 1 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 0 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 PARALLEL BRIDGES PER LADDER . 3 3 3 2 2 4 1 1 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 0 1 0 0 0 0 0 0 1 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 91 0, 0.0 151,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-170.7 3.6 11.1 2.6 2 2 A D - 0 0 38 149,-0.1 171,-0.2 331,-0.1 331,-0.1 -0.960 360.0-141.6-137.3 157.0 7.2 10.7 3.8 3 3 A V E -A 172 0A 4 169,-2.6 169,-2.2 -2,-0.3 2,-0.4 -0.859 11.9-159.9-124.1 96.1 10.6 11.8 2.4 4 4 A P E -A 171 0A 50 0, 0.0 2,-0.5 0, 0.0 167,-0.2 -0.617 14.5-170.8 -75.3 126.6 13.5 9.4 2.8 5 5 A T E -A 170 0A 7 165,-2.9 165,-2.4 -2,-0.4 2,-0.2 -0.977 19.9-125.6-125.3 126.4 16.8 11.3 2.5 6 6 A T E -A 169 0A 75 -2,-0.5 2,-0.4 163,-0.2 11,-0.4 -0.454 20.2-152.5 -71.1 134.9 20.2 9.6 2.2 7 7 A L E -A 168 0A 0 161,-2.0 161,-2.6 -2,-0.2 2,-0.5 -0.899 6.0-145.0-107.9 136.3 22.8 10.7 4.8 8 8 A I E -AB 167 15A 59 7,-3.2 7,-2.1 -2,-0.4 2,-1.0 -0.894 14.8-129.9-104.7 127.2 26.5 10.5 3.9 9 9 A N E + B 0 14A 38 157,-3.0 5,-0.2 -2,-0.5 -2,-0.0 -0.647 30.3 173.4 -76.8 104.0 28.9 9.6 6.7 10 10 A E - 0 0 59 3,-2.2 -1,-0.2 -2,-1.0 4,-0.2 0.537 49.9-110.7 -88.5 -7.6 31.6 12.3 6.5 11 11 A G S S+ 0 0 44 2,-0.6 -1,-0.1 1,-0.1 3,-0.0 -0.730 107.5 35.7 116.0 -81.6 33.4 11.1 9.6 12 12 A P S S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 289,-0.2 0.616 131.3 9.7 -81.4 -12.9 32.8 13.7 12.3 13 13 A S S S- 0 0 15 -5,-0.1 -3,-2.2 288,-0.0 -2,-0.6 -0.955 71.6-113.2-156.1 173.0 29.3 14.4 11.0 14 14 A Y E -B 9 0A 3 205,-0.3 17,-2.5 17,-0.3 2,-0.3 -0.952 33.5-176.6-118.1 134.7 26.5 13.3 8.6 15 15 A A E -BC 8 30A 0 -7,-2.1 -7,-3.2 -2,-0.4 2,-0.3 -0.787 15.5-148.0-128.4 169.7 25.3 15.3 5.6 16 16 A A E - C 0 29A 2 13,-2.6 13,-2.3 -2,-0.3 2,-0.5 -0.960 24.2-116.8-134.8 151.7 22.8 15.3 2.8 17 17 A D E + C 0 28A 96 -11,-0.4 85,-0.4 -2,-0.3 2,-0.3 -0.794 40.8 170.7 -90.7 126.2 22.9 16.6 -0.8 18 18 A I E - C 0 27A 3 9,-3.2 9,-2.8 -2,-0.5 2,-0.4 -0.815 24.8-137.8-128.0 169.4 20.5 19.4 -1.5 19 19 A V E -DC 100 26A 33 81,-2.3 81,-2.8 -2,-0.3 2,-0.4 -0.991 16.9-165.2-129.7 139.2 19.8 21.8 -4.4 20 20 A V E > +DC 99 25A 1 5,-2.1 5,-2.6 -2,-0.4 79,-0.2 -0.967 44.0 12.3-128.3 142.6 19.1 25.5 -4.0 21 21 A G T > 5S- 0 0 1 77,-2.5 3,-1.3 -2,-0.4 49,-0.1 -0.105 94.2 -63.5 89.7 172.1 17.7 28.1 -6.4 22 22 A S T 3 5S+ 0 0 56 1,-0.3 -1,-0.2 2,-0.1 48,-0.1 0.790 133.7 51.6 -67.2 -28.4 16.1 28.0 -9.8 23 23 A N T 3 5S- 0 0 72 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.181 112.1-117.7 -96.9 18.1 19.2 26.5 -11.3 24 24 A Q T < 5 - 0 0 108 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.900 32.9-162.0 50.8 55.7 19.5 23.7 -8.8 25 25 A Q E < -C 20 0A 26 -5,-2.6 -5,-2.1 1,-0.1 2,-0.2 -0.564 18.1-128.4 -72.4 119.2 22.9 24.7 -7.2 26 26 A K E +C 19 0A 164 -2,-0.5 38,-0.4 -7,-0.2 2,-0.3 -0.480 33.2 171.1 -75.7 133.3 24.2 21.5 -5.4 27 27 A Q E -C 18 0A 5 -9,-2.8 -9,-3.2 -2,-0.2 2,-0.6 -0.972 26.4-147.5-137.7 149.8 25.2 21.7 -1.8 28 28 A T E +C 17 0A 18 34,-2.2 94,-0.4 -2,-0.3 2,-0.3 -0.983 30.9 178.3-118.5 114.6 26.2 19.0 0.7 29 29 A V E -C 16 0A 1 -13,-2.3 -13,-2.6 -2,-0.6 94,-0.3 -0.891 32.2-106.0-121.9 151.2 25.1 20.2 4.2 30 30 A V E -Ce 15 123A 8 92,-2.3 94,-3.5 -2,-0.3 2,-0.8 -0.532 28.6-130.9 -74.1 134.7 25.3 18.7 7.7 31 31 A I E - e 0 124A 5 -17,-2.5 2,-0.5 -2,-0.2 -17,-0.3 -0.809 33.9-173.7 -88.2 113.0 22.0 17.4 9.0 32 32 A D E > + e 0 125A 8 92,-2.2 94,-2.3 -2,-0.8 3,-0.8 -0.921 30.8 177.8-121.9 113.6 21.9 19.0 12.5 33 33 A T T 3 S+ 0 0 4 -2,-0.5 162,-0.4 1,-0.2 95,-0.2 0.516 83.8 69.7 -83.1 -5.9 19.2 18.3 15.2 34 34 A G T 3 S+ 0 0 2 93,-0.1 303,-0.5 302,-0.1 2,-0.3 0.437 104.6 33.7 -91.3 -2.1 21.2 20.6 17.5 35 35 A S < - 0 0 0 -3,-0.8 92,-2.2 301,-0.2 91,-0.5 -0.883 63.8-146.1-142.1 174.6 20.4 23.8 15.6 36 36 A S + 0 0 0 95,-0.5 2,-0.4 -2,-0.3 96,-0.2 0.329 63.4 88.4-132.4 9.1 17.4 25.1 13.6 37 37 A D - 0 0 0 94,-0.2 88,-1.9 103,-0.1 2,-0.5 -0.897 58.6-144.4-113.4 142.0 18.7 27.3 10.7 38 38 A L E +F 124 0A 3 -2,-0.4 74,-2.3 72,-0.3 2,-0.3 -0.882 29.4 166.9-100.6 130.1 19.6 26.2 7.2 39 39 A W E -Fg 123 112A 0 84,-2.2 84,-1.2 -2,-0.5 2,-0.3 -0.997 17.6-159.3-144.7 148.1 22.5 28.1 5.7 40 40 A V E - g 0 113A 0 72,-2.4 74,-3.1 -2,-0.3 2,-0.5 -0.843 30.1 -99.3-123.6 161.3 24.8 27.7 2.7 41 41 A V E - g 0 114A 3 -2,-0.3 24,-2.9 22,-0.3 74,-0.2 -0.699 35.9-128.1 -85.1 123.3 28.2 29.0 1.7 42 42 A D E > -n 65 0B 17 72,-2.9 3,-2.2 -2,-0.5 24,-0.2 -0.386 20.2-119.1 -67.3 145.9 28.2 32.0 -0.7 43 43 A T E 3 S+ 0 0 46 22,-2.2 -1,-0.1 1,-0.3 23,-0.1 0.840 116.9 40.6 -54.0 -35.0 30.4 31.5 -3.7 44 44 A D E 3 S+ 0 0 125 21,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.076 88.7 140.5-103.1 23.5 32.4 34.6 -2.6 45 45 A A E < - 0 0 4 -3,-2.2 2,-0.6 69,-0.2 71,-0.2 -0.215 53.0-124.3 -65.7 156.1 32.5 33.7 1.1 46 46 A E E - g 0 116A 124 69,-3.1 71,-2.0 13,-0.0 2,-0.8 -0.911 19.0-149.5-103.5 114.6 35.5 34.2 3.3 47 47 A a E - g 0 117A 14 -2,-0.6 2,-0.6 9,-0.5 71,-0.2 -0.774 13.1-144.5 -87.4 114.4 36.5 31.0 5.0 48 48 A Q - 0 0 84 69,-2.9 2,-0.3 -2,-0.8 9,-0.0 -0.698 10.1-137.3 -84.3 117.6 38.1 31.9 8.4 49 49 A V + 0 0 77 -2,-0.6 3,-0.1 1,-0.2 69,-0.0 -0.548 27.5 171.5 -73.7 131.4 41.0 29.6 9.3 50 50 A T + 0 0 87 1,-0.3 2,-0.4 -2,-0.3 -1,-0.2 0.703 64.9 31.1-111.6 -32.1 41.0 28.6 13.0 51 51 A Y S > S- 0 0 150 0, 0.0 3,-0.9 0, 0.0 -1,-0.3 -0.986 89.0-103.0-136.0 128.9 43.7 25.9 13.2 52 52 A S T 3 S+ 0 0 120 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.108 103.3 54.9 -44.7 132.9 46.9 25.5 11.2 53 53 A G T 3 S+ 0 0 78 1,-0.5 2,-0.3 0, 0.0 -1,-0.2 0.244 79.2 117.4 120.7 -8.8 46.5 22.8 8.5 54 54 A Q < - 0 0 36 -3,-0.9 -1,-0.5 2,-0.0 2,-0.4 -0.679 64.9-124.0 -91.5 144.4 43.4 24.3 6.9 55 55 A T > - 0 0 79 -2,-0.3 3,-2.9 1,-0.1 4,-0.2 -0.731 28.7-113.9 -87.8 135.6 43.4 25.4 3.2 56 56 A N T 3 S+ 0 0 117 -2,-0.4 -9,-0.5 1,-0.3 3,-0.2 0.627 116.7 37.6 -41.7 -24.5 42.2 29.1 2.8 57 57 A N T > S+ 0 0 68 1,-0.1 3,-2.1 -11,-0.1 -1,-0.3 -0.064 74.7 133.0-121.3 31.9 39.1 28.0 1.0 58 58 A F G X + 0 0 16 -3,-2.9 3,-0.8 1,-0.3 -1,-0.1 0.736 66.7 61.3 -54.5 -26.7 38.3 24.9 3.0 59 59 A a G 3 S+ 0 0 2 1,-0.2 -1,-0.3 -4,-0.2 3,-0.2 0.429 95.1 61.0 -86.1 3.8 34.7 25.9 3.4 60 60 A K G < S+ 0 0 60 -3,-2.1 3,-0.5 1,-0.1 -1,-0.2 0.028 74.0 95.7-115.5 25.6 33.9 25.8 -0.4 61 61 A Q S < S+ 0 0 141 -3,-0.8 -1,-0.1 59,-0.4 -2,-0.1 0.546 84.5 46.1 -93.4 -7.8 34.7 22.1 -1.0 62 62 A E S S- 0 0 90 1,-0.5 -34,-2.2 -3,-0.2 -1,-0.2 -0.191 124.7 -61.8-126.9 41.8 31.2 20.8 -0.7 63 63 A G - 0 0 26 -3,-0.5 -1,-0.5 -36,-0.2 2,-0.3 0.057 45.5-139.7 98.7 152.0 29.3 23.4 -2.8 64 64 A T - 0 0 38 -38,-0.4 2,-0.4 -3,-0.1 -22,-0.2 -0.964 12.9-127.9-143.9 159.8 28.5 27.1 -2.8 65 65 A F B -n 42 0B 0 -24,-2.9 -22,-2.2 -2,-0.3 -21,-0.3 -0.926 10.5-165.8-115.6 134.3 25.5 29.3 -3.6 66 66 A D > - 0 0 50 -2,-0.4 3,-1.6 -24,-0.2 4,-0.4 -0.902 2.9-167.0-120.4 98.8 25.4 32.2 -6.0 67 67 A P G > S+ 0 0 13 0, 0.0 3,-1.0 0, 0.0 6,-0.3 0.792 83.2 65.0 -52.8 -33.9 22.3 34.2 -5.3 68 68 A S G 3 S+ 0 0 104 1,-0.2 -2,-0.0 3,-0.0 5,-0.0 0.697 98.5 52.1 -68.3 -20.1 22.7 36.2 -8.6 69 69 A S G < S+ 0 0 51 -3,-1.6 2,-0.6 3,-0.0 -1,-0.2 0.525 91.8 85.2 -94.2 -6.2 22.3 33.1 -10.8 70 70 A S X - 0 0 8 -3,-1.0 3,-0.9 -4,-0.4 -49,-0.1 -0.861 62.0-160.2 -97.8 120.7 19.0 32.1 -9.2 71 71 A S T 3 S+ 0 0 112 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.0 0.692 92.8 49.3 -72.1 -17.8 16.0 33.8 -10.8 72 72 A S T 3 S+ 0 0 46 26,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.398 78.6 125.0-101.3 1.5 13.8 33.0 -7.7 73 73 A A < - 0 0 29 -3,-0.9 2,-0.5 -6,-0.3 24,-0.2 -0.443 42.4-164.7 -65.7 127.8 16.3 34.2 -5.1 74 74 A Q E -H 96 0A 92 22,-2.4 22,-1.4 -2,-0.2 2,-0.6 -0.954 11.0-144.9-121.1 113.8 14.7 36.8 -2.8 75 75 A N E -H 95 0A 67 -2,-0.5 20,-0.2 20,-0.2 19,-0.0 -0.662 9.8-169.3 -79.0 119.7 16.9 38.9 -0.6 76 76 A L E - 0 0 31 18,-2.3 19,-0.1 -2,-0.6 -1,-0.1 0.530 29.3-133.8 -86.4 -6.7 15.2 39.6 2.7 77 77 A N E + 0 0 138 17,-0.5 2,-0.4 1,-0.2 18,-0.1 0.847 62.9 129.6 55.8 37.1 17.7 42.2 3.8 78 78 A Q E - 0 0 89 16,-0.4 16,-3.0 2,-0.0 -1,-0.2 -0.987 57.2-124.7-122.8 129.4 17.9 40.6 7.3 79 79 A D E -H 93 0A 146 -2,-0.4 2,-0.4 14,-0.2 14,-0.3 -0.400 19.0-154.2 -75.1 149.6 21.3 39.8 8.8 80 80 A F E +H 92 0A 3 12,-2.8 12,-2.8 33,-0.1 2,-0.3 -0.990 17.9 167.5-126.5 132.6 22.1 36.3 10.0 81 81 A S E +H 91 0A 76 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.983 4.7 167.9-145.9 131.4 24.6 35.4 12.7 82 82 A I E -H 90 0A 6 8,-2.2 8,-2.1 -2,-0.3 2,-0.4 -0.999 15.8-164.7-147.1 146.5 25.2 32.1 14.5 83 83 A E E -H 89 0A 78 255,-0.4 255,-2.7 -2,-0.3 6,-0.2 -0.999 14.8-148.6-132.3 134.6 27.7 30.5 16.8 84 84 A Y B > -O 337 0C 15 4,-2.7 3,-2.2 -2,-0.4 253,-0.3 -0.539 32.2 -99.6 -99.6 167.9 27.9 26.8 17.6 85 85 A G T 3 S+ 0 0 32 251,-2.5 252,-0.1 1,-0.3 -1,-0.1 0.706 121.2 59.0 -56.9 -24.7 29.1 25.0 20.7 86 86 A D T 3 S- 0 0 115 250,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.301 120.1-110.6 -88.4 10.6 32.5 24.3 19.3 87 87 A L S < S+ 0 0 127 -3,-2.2 -2,-0.2 1,-0.3 2,-0.1 0.520 75.7 133.0 74.2 9.4 32.9 28.0 19.0 88 88 A T - 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