==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-OCT-09 3KF5 . COMPND 2 MOLECULE: INVERTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHWANNIOMYCES OCCIDENTALIS; . AUTHOR J.SANZ-APARICIO,A.POLO . 1020 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 606 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 383 37.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.7 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 . 106 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 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 RESIDUES PER ALPHA HELIX . 8 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 0 PARALLEL BRIDGES PER LADDER . 9 11 6 0 8 8 8 6 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 4 2 4 2 0 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 24 A S 0 0 109 0, 0.0 295,-0.0 0, 0.0 890,-0.0 0.000 360.0 360.0 360.0 78.9 18.1 33.4 41.0 2 25 A I + 0 0 78 297,-0.1 4,-0.2 2,-0.1 298,-0.1 0.349 360.0 136.7-139.3 -7.3 14.4 32.5 40.7 3 26 A D > + 0 0 86 2,-0.1 3,-1.1 296,-0.1 2,-0.1 0.688 4.3 129.5 -24.8-107.2 14.6 28.6 41.0 4 27 A L T 3 S- 0 0 140 1,-0.2 -2,-0.1 3,-0.0 -1,-0.1 -0.356 95.4 -67.2 56.4-157.9 12.4 26.3 43.1 5 28 A S T 3 S+ 0 0 118 -2,-0.1 2,-0.4 2,-0.1 -1,-0.2 -0.035 89.8 145.8-105.4 34.5 11.4 23.6 40.7 6 29 A V < - 0 0 76 -3,-1.1 2,-0.6 -4,-0.2 -4,-0.1 -0.561 38.3-151.8 -67.2 123.7 9.3 26.2 38.7 7 30 A D - 0 0 90 -2,-0.4 3,-0.5 1,-0.1 -2,-0.1 -0.906 14.7-173.2-108.3 114.1 9.5 25.2 35.0 8 31 A T >> + 0 0 4 292,-1.9 4,-2.2 -2,-0.6 3,-2.1 0.489 54.3 108.5 -86.6 -3.0 9.2 28.1 32.6 9 32 A S H 3> + 0 0 21 291,-0.6 4,-1.2 1,-0.3 -1,-0.2 0.785 65.1 69.5 -45.4 -42.3 9.0 25.9 29.4 10 33 A E H 34 S+ 0 0 153 -3,-0.5 -1,-0.3 1,-0.2 356,-0.1 0.775 123.0 10.4 -49.3 -34.8 5.3 26.6 28.8 11 34 A Y H <4 S+ 0 0 26 -3,-2.1 -1,-0.2 469,-0.0 -2,-0.2 0.527 137.6 39.4-123.5 -13.9 6.0 30.3 27.9 12 35 A N H < S+ 0 0 2 -4,-2.2 -3,-0.2 288,-0.1 448,-0.2 0.756 84.0 97.1-107.7 -37.0 9.8 30.5 27.6 13 36 A R S < S- 0 0 40 -4,-1.2 353,-0.1 -5,-0.3 6,-0.0 -0.472 71.2-126.9 -71.7 118.8 11.1 27.3 25.9 14 37 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.207 12.5-152.4 -56.7 152.5 11.7 27.6 22.1 15 38 A L S S+ 0 0 38 3,-0.1 4,-0.1 54,-0.0 -2,-0.0 0.783 87.9 21.6 -99.0 -34.3 9.9 25.0 20.0 16 39 A I S S+ 0 0 1 2,-0.1 2,-0.4 53,-0.1 495,-0.0 0.384 105.6 84.3-121.2 -1.3 12.2 24.7 16.9 17 40 A H S S- 0 0 6 291,-0.1 2,-0.1 53,-0.0 291,-0.1 -0.860 92.5-103.4 -91.5 137.3 15.5 26.0 18.3 18 41 A F + 0 0 8 -2,-0.4 288,-2.0 289,-0.3 -2,-0.1 -0.409 45.4 173.3 -69.3 141.9 17.4 23.3 20.1 19 42 A T - 0 0 19 286,-0.2 2,-0.2 -2,-0.1 286,-0.1 -0.992 31.8-116.7-145.1 135.7 17.4 23.4 23.9 20 43 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.544 24.4-124.1 -75.0 150.5 18.8 20.9 26.4 21 44 A E S S- 0 0 132 1,-0.2 2,-0.3 -2,-0.2 0, 0.0 0.962 90.5 -1.6 -51.0 -58.8 16.2 19.2 28.7 22 45 A K S S+ 0 0 122 2,-0.1 280,-0.3 280,-0.1 -1,-0.2 -0.953 107.7 19.9-134.5 150.3 18.0 20.4 31.8 23 46 A G E S-a 302 0A 4 278,-2.9 280,-1.9 -2,-0.3 2,-0.3 -0.397 84.2 -35.0 98.0-165.5 21.2 22.4 32.6 24 47 A W E -aB 303 47A 0 23,-3.1 23,-2.3 26,-0.7 2,-0.3 -0.791 43.8-176.2-108.3 140.9 23.5 24.8 30.8 25 48 A M E + B 0 46A 2 278,-1.2 21,-0.2 -2,-0.3 2,-0.1 -0.975 12.4 151.4-129.8 143.6 24.6 25.1 27.2 26 49 A N E + 0 0 6 19,-1.8 262,-0.1 1,-0.4 244,-0.0 -0.180 52.5 30.5-130.7-119.2 27.1 27.3 25.3 27 50 A D E S- 0 0 6 17,-0.1 18,-2.3 -2,-0.1 -1,-0.4 -0.021 73.7-121.0 -47.2 133.1 29.3 26.8 22.2 28 51 A P E - B 0 44A 4 0, 0.0 2,-0.3 0, 0.0 16,-0.3 -0.558 38.5-161.3 -69.9 145.1 27.9 24.4 19.5 29 52 A N E + B 0 43A 0 14,-3.1 14,-1.8 -2,-0.2 61,-0.2 -0.910 46.7 0.2-132.9 155.6 30.4 21.6 18.9 30 53 A G E - 0 0 0 59,-2.0 2,-0.4 -2,-0.3 60,-0.2 0.716 68.8-170.8 43.0 42.3 31.4 18.9 16.4 31 54 A L E + 0 0 0 243,-0.2 245,-1.7 12,-0.1 60,-0.4 -0.481 19.0 148.5 -67.8 118.8 28.7 19.7 13.8 32 55 A F E -cB 276 41A 0 9,-0.9 9,-2.8 -2,-0.4 2,-0.4 -0.979 42.0-127.7-145.4 161.2 28.5 17.1 11.1 33 56 A Y E - B 0 40A 42 243,-1.4 2,-0.6 -2,-0.3 7,-0.2 -0.897 17.5-143.7-103.3 139.5 26.1 15.4 8.7 34 57 A D E >> - B 0 39A 3 5,-2.8 5,-1.9 -2,-0.4 4,-0.6 -0.930 11.9-167.1-102.3 112.8 25.9 11.6 8.6 35 58 A K T 45S+ 0 0 61 -2,-0.6 3,-0.4 74,-0.6 -1,-0.2 0.920 84.4 41.1 -68.6 -47.7 25.2 10.6 4.9 36 59 A T T 45S+ 0 0 72 73,-0.4 -1,-0.2 1,-0.2 74,-0.1 0.858 121.3 42.6 -72.1 -34.3 24.3 6.9 5.4 37 60 A A T 45S- 0 0 45 2,-0.1 -1,-0.2 97,-0.0 -2,-0.2 0.474 101.3-134.9 -86.1 -3.7 22.2 7.6 8.5 38 61 A K T <5 + 0 0 132 -4,-0.6 2,-0.4 -3,-0.4 -3,-0.2 0.923 59.1 138.1 47.5 54.1 20.6 10.7 6.9 39 62 A L E < -B 34 0A 33 -5,-1.9 -5,-2.8 27,-0.0 2,-0.3 -0.985 52.5-142.3-142.9 128.9 21.2 12.6 10.2 40 63 A W E -BD 33 64A 37 24,-3.4 24,-1.9 -2,-0.4 2,-0.5 -0.698 23.4-148.9 -84.5 137.0 22.4 16.0 11.4 41 64 A H E -BD 32 63A 0 -9,-2.8 -9,-0.9 -2,-0.3 2,-0.5 -0.923 13.4-174.0-114.3 132.7 24.5 16.0 14.6 42 65 A L E + D 0 62A 0 20,-3.2 20,-3.3 -2,-0.5 2,-0.3 -0.989 6.9 172.9-123.4 123.1 24.7 18.7 17.2 43 66 A Y E +BD 29 61A 0 -14,-1.8 -14,-3.1 -2,-0.5 2,-0.3 -0.773 11.3 177.4-115.7 169.7 27.1 18.6 20.1 44 67 A F E -BD 28 60A 0 16,-0.9 16,-3.1 -16,-0.3 2,-0.4 -0.973 41.8 -81.3-169.9 151.9 27.7 21.4 22.6 45 68 A Q E - D 0 59A 4 -18,-2.3 -19,-1.8 -2,-0.3 2,-0.4 -0.486 61.2-174.1 -55.4 116.3 29.5 22.8 25.7 46 69 A Y E +BD 25 58A 17 12,-2.9 12,-3.2 -2,-0.4 -21,-0.2 -0.982 32.3 178.2-134.1 126.0 27.3 21.2 28.4 47 70 A N E +B 24 0A 5 -23,-2.3 -23,-3.1 -2,-0.4 3,-0.4 -0.961 7.3 178.6-119.0 110.2 27.0 21.4 32.1 48 71 A P S S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.708 71.8 65.3 -80.7 -21.3 24.1 19.2 33.3 49 72 A N S S+ 0 0 127 7,-0.2 2,-0.3 -26,-0.1 -26,-0.1 0.547 107.5 22.0 -87.1 -13.5 24.6 19.9 37.0 50 73 A A S S- 0 0 47 -3,-0.4 -26,-0.7 2,-0.2 -3,-0.2 -0.931 72.1-117.2-145.2 170.0 23.8 23.6 37.1 51 74 A T S S+ 0 0 29 -2,-0.3 2,-0.3 -28,-0.2 248,-0.1 -0.096 97.6 51.7-100.8 33.1 21.9 26.2 35.2 52 75 A A S S- 0 0 29 -5,-0.1 -28,-0.3 -28,-0.1 -2,-0.2 -0.906 109.7 -51.2-152.9 174.9 25.2 28.2 34.6 53 76 A W - 0 0 92 -2,-0.3 2,-0.4 1,-0.1 -2,-0.1 -0.359 65.5-149.8 -63.5 130.6 28.7 27.5 33.2 54 77 A G - 0 0 5 -2,-0.1 -1,-0.1 1,-0.1 -8,-0.1 -0.868 22.5-133.8-126.6 137.0 30.1 24.5 35.0 55 78 A Q S S+ 0 0 137 -2,-0.4 2,-1.0 1,-0.2 -1,-0.1 0.847 100.9 53.2 -52.0 -56.9 33.4 23.2 36.1 56 79 A P S S- 0 0 19 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.767 87.7-171.9 -81.7 106.0 33.1 19.5 35.0 57 80 A L - 0 0 0 -2,-1.0 29,-3.0 -10,-0.1 -10,-0.2 -0.862 9.4-175.8-117.6 133.0 32.1 20.3 31.4 58 81 A Y E -D 46 0A 54 -12,-3.2 -12,-2.9 -2,-0.4 2,-0.7 -0.608 33.5-105.5-120.7 168.3 30.9 17.9 28.7 59 82 A W E -DE 45 77A 0 18,-2.1 17,-2.9 -14,-0.2 18,-0.8 -0.912 38.9-155.1 -92.9 110.8 30.0 17.6 25.0 60 83 A G E -D 44 0A 2 -16,-3.1 -16,-0.9 -2,-0.7 2,-0.3 -0.278 10.8-143.4 -72.6 170.4 26.2 17.3 24.9 61 84 A H E +D 43 0A 2 12,-0.5 12,-3.3 -18,-0.2 2,-0.3 -0.935 25.5 161.5-151.5 127.1 24.6 15.5 22.0 62 85 A A E -DF 42 72A 0 -20,-3.3 -20,-3.2 -2,-0.3 2,-0.3 -0.948 16.3-156.0-134.1 154.6 21.5 15.8 19.8 63 86 A T E +DF 41 71A 3 8,-1.6 8,-2.4 -2,-0.3 2,-0.3 -0.922 10.2 179.6-127.2 157.8 20.4 14.6 16.4 64 87 A S E -D 40 0A 2 -24,-1.9 -24,-3.4 -2,-0.3 6,-0.1 -0.984 25.9-157.1-151.5 153.2 17.9 15.7 13.8 65 88 A N S S+ 0 0 112 4,-0.4 5,-0.1 -2,-0.3 -1,-0.1 0.480 101.4 22.2-106.3 -6.7 16.7 14.7 10.3 66 89 A D S S- 0 0 36 3,-0.4 268,-0.1 -26,-0.1 4,-0.1 0.396 102.7-112.6-139.4 -4.3 15.4 18.1 9.3 67 90 A L S S+ 0 0 10 2,-0.3 242,-0.4 -27,-0.1 267,-0.2 0.533 106.1 66.4 75.5 12.2 17.3 20.7 11.6 68 91 A V S S+ 0 0 4 1,-0.2 2,-0.5 240,-0.1 -1,-0.1 0.456 89.4 62.7-130.2 -12.4 14.1 21.7 13.6 69 92 A H S S- 0 0 65 443,-0.1 -4,-0.4 -51,-0.0 -3,-0.4 -0.972 70.5-168.6-118.8 120.0 13.3 18.5 15.5 70 93 A W - 0 0 45 -2,-0.5 2,-0.5 -6,-0.1 -6,-0.2 -0.877 19.1-157.0-120.3 138.9 15.9 17.3 17.9 71 94 A D E -F 63 0A 98 -8,-2.4 -8,-1.6 -2,-0.4 2,-0.5 -0.945 20.6-140.3-106.5 127.5 16.5 14.1 20.0 72 95 A E E -F 62 0A 64 -2,-0.5 -10,-0.2 -10,-0.2 2,-0.1 -0.755 25.1-176.0 -89.9 125.1 18.7 14.5 23.1 73 96 A H - 0 0 49 -12,-3.3 -12,-0.5 -2,-0.5 3,-0.1 -0.416 33.7 -69.1-109.1-175.1 21.2 11.7 23.7 74 97 A E S S- 0 0 132 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 -0.384 70.9 -70.0 -74.8 155.2 23.7 10.8 26.4 75 98 A I - 0 0 65 1,-0.1 -15,-0.2 -15,-0.1 -1,-0.2 -0.091 41.7-156.4 -38.1 134.7 26.9 12.8 26.9 76 99 A A S S+ 0 0 10 -17,-2.9 62,-0.6 1,-0.3 2,-0.4 0.885 72.2 10.9 -88.4 -46.0 29.3 12.3 24.1 77 100 A I B -E 59 0A 7 -18,-0.8 -18,-2.1 60,-0.1 -1,-0.3 -1.000 65.1-173.6-137.4 138.6 32.6 13.2 25.7 78 101 A G - 0 0 23 -2,-0.4 2,-0.2 -20,-0.2 -20,-0.1 -0.856 26.6-106.8-124.6 161.5 33.5 13.7 29.4 79 102 A P - 0 0 26 0, 0.0 6,-0.1 0, 0.0 7,-0.1 -0.495 24.2-119.3 -85.5 159.6 36.7 14.9 31.2 80 103 A E S S+ 0 0 165 -2,-0.2 2,-0.3 1,-0.1 5,-0.1 0.792 95.5 21.4 -65.0 -32.1 39.0 12.7 33.3 81 104 A H S > S- 0 0 124 3,-0.2 3,-1.6 1,-0.0 -1,-0.1 -0.972 73.7-120.4-136.9 151.9 38.4 14.8 36.5 82 105 A D T 3 S+ 0 0 125 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.604 101.5 91.6 -56.7 -11.4 35.7 17.2 37.9 83 106 A N T 3 S- 0 0 105 -27,-0.1 -1,-0.3 1,-0.1 2,-0.3 0.768 104.0 -31.0 -62.9 -33.6 38.8 19.4 37.9 84 107 A E < - 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