==== 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 3KF3 . COMPND 2 MOLECULE: INVERTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHWANNIOMYCES OCCIDENTALIS; . AUTHOR J.SANZ-APARICIO,A.POLO . 1018 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 659 64.7 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 . 402 39.5 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 . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.3 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 . 112 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 5.6 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 . 6 8 8 0 7 5 14 2 6 3 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 2 6 4 0 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 27 A L 0 0 191 0, 0.0 296,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -30.0 -7.5 -18.1 18.9 2 28 A S + 0 0 111 1,-0.0 2,-0.5 296,-0.0 0, 0.0 0.737 360.0 71.1 -81.8 -26.8 -11.1 -16.8 19.5 3 29 A V + 0 0 90 2,-0.0 2,-0.4 295,-0.0 -1,-0.0 -0.824 56.7 179.2-100.9 125.2 -10.2 -13.1 19.6 4 30 A D + 0 0 98 -2,-0.5 3,-0.3 1,-0.1 292,-0.0 -0.943 11.3 176.2-128.3 113.7 -9.1 -11.3 16.4 5 31 A T >> + 0 0 8 292,-2.5 4,-2.5 -2,-0.4 3,-1.7 0.436 51.1 108.8 -90.6 -0.5 -8.3 -7.6 16.7 6 32 A S H 3> + 0 0 21 291,-0.5 4,-2.1 1,-0.3 -1,-0.2 0.798 65.9 64.0 -47.4 -47.4 -7.2 -7.3 13.0 7 33 A E H 34 S+ 0 0 153 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.760 125.2 15.0 -53.9 -30.9 -10.2 -5.2 11.8 8 34 A Y H <4 S+ 0 0 32 -3,-1.7 -1,-0.2 469,-0.0 -2,-0.2 0.613 137.7 35.2-115.9 -16.6 -9.2 -2.3 14.1 9 35 A N H < S+ 0 0 2 -4,-2.5 -3,-0.2 288,-0.1 -2,-0.2 0.555 86.6 94.9-116.3 -19.9 -5.6 -3.2 15.1 10 36 A R S < S- 0 0 42 -4,-2.1 447,-0.1 -5,-0.4 6,-0.0 -0.738 71.2-124.6 -91.3 119.9 -3.8 -4.8 12.2 11 37 A P - 0 0 9 0, 0.0 446,-0.1 0, 0.0 5,-0.1 -0.216 10.2-150.7 -57.7 151.4 -1.7 -2.6 9.9 12 38 A L S S+ 0 0 32 351,-0.1 4,-0.1 1,-0.1 352,-0.0 0.815 90.6 21.3 -91.8 -37.6 -2.4 -2.7 6.2 13 39 A I S S+ 0 0 2 53,-0.1 2,-0.5 2,-0.1 -1,-0.1 0.275 104.9 84.5-122.6 8.4 1.0 -1.9 4.7 14 40 A H S S- 0 0 7 291,-0.1 291,-0.1 442,-0.1 290,-0.1 -0.951 89.6-107.3-103.1 133.8 3.4 -2.8 7.5 15 41 A F + 0 0 9 -2,-0.5 288,-1.5 289,-0.3 -2,-0.1 -0.361 43.7 170.6 -65.1 136.9 4.3 -6.5 7.6 16 42 A T - 0 0 16 286,-0.2 286,-0.1 -5,-0.1 2,-0.1 -0.988 36.5-113.7-140.1 136.5 2.8 -8.6 10.3 17 43 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.454 28.1-122.9 -63.9 142.8 2.8 -12.4 10.6 18 44 A E S S+ 0 0 138 1,-0.2 2,-0.3 -2,-0.1 0, 0.0 0.896 91.4 4.8 -52.1 -43.8 -0.7 -13.8 10.2 19 45 A K S S+ 0 0 114 2,-0.1 280,-0.3 278,-0.0 -1,-0.2 -0.984 107.7 15.7-142.0 151.7 -0.3 -15.5 13.6 20 46 A G E S-a 299 0A 4 278,-3.0 280,-1.9 -2,-0.3 2,-0.4 -0.426 87.2 -30.8 92.2-159.9 2.2 -15.6 16.5 21 47 A W E -aB 300 44A 0 23,-2.7 23,-2.2 26,-0.7 2,-0.4 -0.814 44.8-176.1-110.7 137.2 5.1 -13.5 17.6 22 48 A M E + B 0 43A 0 278,-1.5 21,-0.2 -2,-0.4 2,-0.1 -0.993 12.4 152.3-127.6 137.6 7.6 -11.4 15.5 23 49 A N E + 0 0 4 19,-2.0 262,-0.1 -2,-0.4 244,-0.0 -0.097 52.2 25.4-122.8-122.4 10.7 -9.5 16.5 24 50 A D E S- 0 0 8 17,-0.2 18,-2.6 1,-0.1 -1,-0.3 -0.014 72.1-122.3 -47.7 134.7 14.0 -8.5 14.7 25 51 A P E - B 0 41A 1 0, 0.0 16,-0.3 0, 0.0 2,-0.3 -0.589 38.7-170.2 -72.6 143.2 13.9 -8.4 10.9 26 52 A N E + B 0 40A 0 14,-3.3 14,-2.1 -2,-0.2 61,-0.3 -0.901 47.4 14.5-134.5 157.9 16.5 -10.8 9.4 27 53 A G E - 0 0 0 59,-1.8 60,-0.2 -2,-0.3 2,-0.1 0.723 69.7-173.1 55.9 31.4 18.2 -11.7 6.1 28 54 A L E + 0 0 0 58,-0.3 245,-2.1 243,-0.2 60,-0.4 -0.373 19.9 140.7 -62.5 124.0 17.0 -8.6 4.2 29 55 A F E -cB 273 38A 0 9,-1.2 9,-2.9 243,-0.3 2,-0.5 -0.980 46.3-125.9-159.9 157.1 17.8 -8.8 0.5 30 56 A Y E - B 0 37A 51 243,-2.1 2,-0.8 -2,-0.3 7,-0.2 -0.911 18.4-143.0-102.5 130.1 16.7 -8.1 -3.0 31 57 A D E >> - B 0 36A 2 5,-3.2 4,-1.5 -2,-0.5 5,-1.5 -0.850 12.3-166.6 -90.2 106.5 16.6 -10.9 -5.6 32 58 A K T 45S+ 0 0 60 -2,-0.8 -1,-0.2 74,-0.4 75,-0.1 0.776 85.5 44.6 -66.4 -29.5 17.6 -9.1 -8.8 33 59 A T T 45S+ 0 0 50 73,-0.2 -1,-0.2 1,-0.1 74,-0.1 0.919 120.9 35.9 -83.4 -47.3 16.5 -12.0 -11.0 34 60 A A T 45S- 0 0 51 72,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.639 102.6-132.1 -76.4 -13.9 13.2 -12.8 -9.4 35 61 A K T <5 + 0 0 133 -4,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.950 58.2 139.9 58.9 52.7 12.6 -9.0 -8.8 36 62 A L E < -B 31 0A 32 -5,-1.5 -5,-3.2 27,-0.0 2,-0.4 -0.989 51.5-141.6-134.9 133.3 11.6 -9.7 -5.2 37 63 A W E -BD 30 61A 33 24,-3.2 24,-2.0 -2,-0.4 2,-0.4 -0.799 25.8-151.4 -84.8 130.8 12.3 -8.0 -1.8 38 64 A H E -BD 29 60A 0 -9,-2.9 -9,-1.2 -2,-0.4 2,-0.4 -0.909 13.9-174.4-110.2 134.6 12.8 -10.6 1.0 39 65 A L E + D 0 59A 0 20,-3.2 20,-2.9 -2,-0.4 2,-0.3 -0.994 4.9 177.5-123.5 122.4 12.0 -10.1 4.6 40 66 A Y E -BD 26 58A 0 -14,-2.1 -14,-3.3 -2,-0.4 2,-0.3 -0.785 11.2-176.3-112.9 167.7 12.9 -12.7 7.2 41 67 A F E -BD 25 57A 0 16,-1.2 16,-3.2 -16,-0.3 2,-0.3 -0.990 38.3 -88.9-164.4 147.9 12.2 -12.3 10.9 42 68 A Q E - D 0 56A 4 -18,-2.6 -19,-2.0 -2,-0.3 2,-0.4 -0.494 59.8-173.8 -59.6 125.1 12.6 -13.7 14.4 43 69 A Y E -BD 22 55A 15 12,-2.5 12,-2.9 -2,-0.3 -21,-0.2 -0.990 34.3-178.2-141.4 127.6 9.5 -15.8 14.7 44 70 A N E > -B 21 0A 6 -23,-2.2 -23,-2.7 -2,-0.4 3,-0.8 -0.924 7.6-177.0-119.0 102.6 7.6 -17.8 17.2 45 71 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.622 75.4 64.4 -70.0 -13.5 4.5 -19.4 15.6 46 72 A N T 3 S+ 0 0 128 7,-0.2 2,-0.3 3,-0.1 -26,-0.1 0.541 107.8 17.0 -96.5 -11.3 3.3 -20.9 18.9 47 73 A A < - 0 0 43 -3,-0.8 -26,-0.7 2,-0.2 -3,-0.2 -0.975 69.8-115.2-151.5 163.4 2.6 -17.9 21.0 48 74 A T S S+ 0 0 33 -2,-0.3 2,-0.3 -28,-0.2 248,-0.1 -0.153 100.4 60.9 -89.8 36.7 2.0 -14.2 20.9 49 75 A A S S- 0 0 29 -5,-0.2 -28,-0.2 -28,-0.1 -2,-0.2 -0.972 100.4 -76.9-153.6 161.7 5.3 -13.8 22.8 50 76 A W + 0 0 98 -2,-0.3 2,-0.3 -28,-0.1 -2,-0.1 -0.347 63.4 145.6 -61.1 138.9 9.0 -14.7 22.4 51 77 A G - 0 0 14 -4,-0.1 -5,-0.1 -30,-0.1 -4,-0.1 -0.967 46.3 -78.7-171.5 157.5 9.8 -18.2 23.0 52 78 A Q S S+ 0 0 62 -2,-0.3 30,-0.1 1,-0.1 28,-0.1 -0.513 99.4 68.6 -80.1 155.5 11.9 -21.3 22.1 53 79 A P S S- 0 0 18 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 0.525 83.3-177.8 -20.2 93.5 11.3 -23.2 19.1 54 80 A L B +g 82 0B 0 27,-1.4 29,-2.2 -10,-0.1 2,-0.2 -0.767 4.1 175.7 -96.2 135.0 12.5 -19.9 17.5 55 81 A Y E -D 43 0A 52 -12,-2.9 -12,-2.5 -2,-0.4 2,-0.7 -0.735 38.1-104.8-125.4 166.8 12.6 -19.6 13.7 56 82 A W E -DE 42 74A 0 18,-2.5 17,-2.1 -2,-0.2 18,-1.1 -0.910 38.3-156.2 -88.7 112.8 13.2 -17.3 10.7 57 83 A G E -D 41 0A 2 -16,-3.2 -16,-1.2 -2,-0.7 2,-0.3 -0.370 11.5-144.3 -74.4 169.6 9.8 -16.4 9.3 58 84 A H E +D 40 0A 2 12,-0.4 12,-3.4 -18,-0.2 2,-0.3 -0.988 25.2 161.5-149.3 132.3 9.7 -15.4 5.7 59 85 A A E -DF 39 69A 0 -20,-2.9 -20,-3.2 -2,-0.3 2,-0.3 -0.991 15.5-156.4-144.9 149.1 7.8 -12.9 3.5 60 86 A T E -DF 38 68A 3 8,-2.2 8,-3.2 -2,-0.3 2,-0.3 -0.898 7.4-176.4-125.2 161.0 8.3 -11.3 0.1 61 87 A S E -D 37 0A 0 -24,-2.0 -24,-3.2 -2,-0.3 6,-0.1 -0.992 24.6-155.0-149.9 147.2 7.2 -8.2 -1.8 62 88 A N S S+ 0 0 109 4,-0.5 5,-0.1 -2,-0.3 -1,-0.1 0.669 103.4 22.9 -88.6 -18.7 7.5 -6.7 -5.2 63 89 A D S S- 0 0 19 3,-0.4 271,-0.1 -26,-0.1 -1,-0.1 0.255 103.5-111.5-136.5 4.6 7.0 -3.2 -4.0 64 90 A L S S+ 0 0 6 2,-0.3 242,-0.5 1,-0.1 266,-0.1 0.557 107.1 62.9 67.8 12.9 7.9 -3.1 -0.2 65 91 A V S S+ 0 0 2 1,-0.3 2,-0.6 240,-0.1 -1,-0.1 0.556 88.6 63.0-129.6 -30.9 4.3 -2.5 0.9 66 92 A H S S- 0 0 54 -51,-0.0 -4,-0.5 2,-0.0 2,-0.4 -0.908 73.7-165.4-100.4 113.9 2.3 -5.6 -0.2 67 93 A W - 0 0 41 -2,-0.6 2,-0.6 -6,-0.1 -6,-0.2 -0.848 17.4-157.6-111.2 135.2 3.7 -8.7 1.5 68 94 A D E -F 60 0A 102 -8,-3.2 -8,-2.2 -2,-0.4 2,-0.3 -0.937 20.2-141.7-107.5 113.1 3.2 -12.4 0.8 69 95 A E E -F 59 0A 65 -2,-0.6 -10,-0.3 -10,-0.2 2,-0.1 -0.579 23.6-169.1 -77.5 132.9 3.9 -14.6 3.9 70 96 A H - 0 0 54 -12,-3.4 -12,-0.4 -2,-0.3 3,-0.1 -0.444 31.2 -69.4-111.1-179.0 5.7 -17.8 3.2 71 97 A E S S- 0 0 170 1,-0.1 -1,-0.2 -2,-0.1 0, 0.0 -0.385 71.9 -76.8 -63.6 152.4 6.5 -21.1 5.0 72 98 A I - 0 0 67 1,-0.1 -15,-0.2 -15,-0.1 -1,-0.1 -0.278 43.2-157.4 -49.2 133.8 9.1 -20.8 7.7 73 99 A A + 0 0 11 -17,-2.1 62,-0.6 1,-0.3 2,-0.4 0.861 68.1 16.3 -87.9 -43.4 12.6 -20.5 6.2 74 100 A I B -E 56 0A 6 -18,-1.1 -18,-2.5 60,-0.1 -1,-0.3 -0.998 64.1-178.4-138.9 134.2 15.0 -21.7 8.9 75 101 A G - 0 0 23 -2,-0.4 -20,-0.1 -20,-0.2 7,-0.1 -0.887 28.6-102.0-129.0 161.5 14.4 -23.7 12.2 76 102 A P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 7,-0.1 -0.300 24.5-124.3 -74.9 162.6 16.5 -25.0 15.1 77 103 A E S S+ 0 0 146 1,-0.1 2,-0.3 5,-0.1 -2,-0.0 0.825 93.7 25.9 -72.3 -34.9 17.6 -28.6 15.6 78 104 A H S > S- 0 0 104 1,-0.0 3,-1.9 0, 0.0 -1,-0.1 -0.920 78.2-117.4-131.3 155.8 15.9 -28.8 19.0 79 105 A D T 3 S+ 0 0 131 -2,-0.3 -25,-0.1 1,-0.3 -1,-0.0 0.648 114.3 68.7 -56.4 -16.4 13.0 -27.2 20.9 80 106 A N T 3 S+ 0 0 103 -28,-0.1 -1,-0.3 -27,-0.1 2,-0.2 0.377 100.6 51.6 -83.2 -3.8 15.8 -26.1 23.2 81 107 A E < - 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