==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-APR-12 4EQV . COMPND 2 MOLECULE: INVERTASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.A.SAINZ-POLO,J.SANZ-APARICIO . 4072 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 137935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 2598 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1540 37.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 38 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 8 0.2 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 . 521 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 173 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 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 4 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 0 RESIDUES PER ALPHA HELIX . 12 8 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 . 18 43 19 17 18 34 66 2 15 4 4 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 12 16 12 0 8 0 0 0 4 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 4 A E 0 0 211 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.8 -109.5 84.8 -37.2 2 5 A T - 0 0 90 1,-0.1 2,-0.2 294,-0.1 3,-0.0 -0.171 360.0-134.8 -77.4 166.2 -106.0 84.0 -38.6 3 6 A S - 0 0 23 294,-1.9 2,-0.4 1,-0.1 -1,-0.1 -0.461 42.0 -72.8-105.1 179.3 -104.6 83.7 -42.1 4 7 A D - 0 0 53 -2,-0.2 -1,-0.1 455,-0.1 477,-0.0 -0.689 52.6-150.5 -77.9 128.3 -102.3 81.1 -43.7 5 8 A R - 0 0 75 -2,-0.4 454,-0.1 454,-0.1 6,-0.0 -0.889 18.3-108.9-112.4 126.2 -98.8 81.6 -42.3 6 9 A P - 0 0 7 0, 0.0 5,-0.1 0, 0.0 453,-0.1 -0.204 24.1-153.8 -51.5 134.0 -95.6 80.8 -44.2 7 10 A L S S+ 0 0 74 1,-0.1 451,-0.1 501,-0.1 502,-0.1 0.806 87.5 26.0 -84.3 -34.4 -93.9 77.7 -42.7 8 11 A V S S+ 0 0 4 53,-0.1 2,-0.4 500,-0.1 -1,-0.1 0.212 106.9 80.2-119.4 12.9 -90.2 78.3 -43.7 9 12 A H S S- 0 0 7 296,-0.1 2,-0.3 449,-0.1 296,-0.1 -0.956 85.9-109.3-114.2 140.7 -90.2 82.1 -43.9 10 13 A F + 0 0 10 -2,-0.4 293,-2.3 294,-0.4 -3,-0.1 -0.524 41.5 167.6 -73.8 130.4 -89.9 84.2 -40.8 11 14 A T - 0 0 14 -2,-0.3 291,-0.1 291,-0.2 2,-0.1 -0.959 38.0-107.2-128.8 151.6 -93.0 86.2 -39.7 12 15 A P - 0 0 2 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.448 29.1-117.8 -70.5 155.0 -93.6 88.0 -36.4 13 16 A N S S- 0 0 100 1,-0.2 2,-0.3 -2,-0.1 286,-0.0 0.938 91.0 -12.9 -55.4 -52.1 -96.1 86.4 -34.1 14 17 A K S S+ 0 0 116 2,-0.1 285,-0.3 283,-0.0 2,-0.2 -0.964 109.0 28.2-144.9 160.6 -98.3 89.5 -34.2 15 18 A G E S-a 299 0A 4 283,-2.8 285,-1.5 -2,-0.3 2,-0.4 -0.578 88.9 -32.4 95.0-151.3 -98.0 93.1 -35.5 16 19 A W E -aB 300 39A 0 23,-2.1 23,-2.8 26,-0.4 2,-0.3 -0.935 45.8-175.8-124.9 137.2 -96.0 94.7 -38.2 17 20 A M E + B 0 38A 0 283,-1.1 21,-0.2 -2,-0.4 2,-0.1 -0.942 12.8 148.9-126.8 143.6 -92.5 93.9 -39.6 18 21 A N E + 0 0 3 19,-1.8 267,-0.1 -2,-0.3 19,-0.1 -0.382 51.1 28.5-135.3-127.2 -90.2 95.5 -42.2 19 22 A D E S- 0 0 9 17,-0.2 18,-2.5 -2,-0.1 -1,-0.3 0.097 72.2-120.2 -43.7 132.1 -86.4 95.9 -42.8 20 23 A P E - B 0 36A 2 0, 0.0 16,-0.3 0, 0.0 2,-0.2 -0.556 39.5-165.3 -69.6 140.4 -84.2 93.1 -41.4 21 24 A N E + B 0 35A 0 14,-3.5 14,-1.6 -2,-0.2 61,-0.2 -0.758 45.5 7.1-127.4 168.0 -81.7 94.5 -38.8 22 25 A G E - 0 0 0 59,-2.0 2,-0.3 -2,-0.2 60,-0.2 0.667 68.4-169.9 32.2 46.3 -78.5 93.7 -36.9 23 26 A L E + 0 0 0 245,-0.2 247,-1.3 -3,-0.1 60,-0.4 -0.486 23.8 134.1 -69.8 122.8 -77.7 90.4 -38.7 24 27 A W E - B 0 33A 0 9,-1.0 9,-2.3 -2,-0.3 2,-0.4 -0.940 43.9-121.3-157.3 173.6 -74.9 88.5 -37.0 25 28 A Y E - B 0 32A 15 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.986 11.5-137.7-135.1 129.0 -74.0 85.0 -35.8 26 29 A D E >> - B 0 31A 1 5,-3.1 5,-1.3 -2,-0.4 4,-1.3 -0.717 17.7-170.2 -85.7 106.5 -73.0 83.6 -32.4 27 30 A E T 45S+ 0 0 110 -2,-0.9 -1,-0.2 74,-0.5 3,-0.1 0.908 82.4 41.9 -65.4 -46.0 -70.1 81.2 -32.9 28 31 A K T 45S+ 0 0 117 1,-0.2 -1,-0.2 73,-0.1 74,-0.1 0.729 122.7 39.3 -77.9 -21.4 -69.9 79.7 -29.4 29 32 A D T 45S- 0 0 78 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.2 0.541 100.5-132.6-101.7 -10.6 -73.7 79.3 -29.0 30 33 A A T <5 + 0 0 46 -4,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.871 57.2 142.5 55.9 44.7 -74.3 78.3 -32.7 31 34 A K E < -B 26 0A 26 -5,-1.3 -5,-3.1 27,-0.1 2,-0.4 -0.962 45.6-146.5-122.5 126.8 -77.2 80.8 -33.0 32 35 A W E -BC 25 56A 1 24,-4.1 24,-2.0 -2,-0.4 2,-0.5 -0.719 20.8-145.0 -82.8 137.7 -78.2 83.0 -35.9 33 36 A H E -BC 24 55A 0 -9,-2.3 -9,-1.0 -2,-0.4 2,-0.5 -0.928 16.2-175.2-114.1 124.9 -79.6 86.3 -34.9 34 37 A L E + C 0 54A 0 20,-2.9 20,-3.1 -2,-0.5 2,-0.3 -0.976 4.2 178.2-117.4 120.9 -82.4 88.1 -36.8 35 38 A Y E -BC 21 53A 0 -14,-1.6 -14,-3.5 -2,-0.5 2,-0.3 -0.815 10.7-179.8-110.5 158.4 -83.5 91.6 -35.7 36 39 A F E -BC 20 52A 3 16,-1.4 16,-3.2 -16,-0.3 2,-0.2 -0.995 39.2 -90.2-159.0 151.3 -86.2 93.5 -37.6 37 40 A Q E - C 0 51A 3 -18,-2.5 -19,-1.8 -2,-0.3 2,-0.4 -0.489 58.6-176.2 -58.9 125.0 -88.2 96.7 -37.8 38 41 A Y E -BC 17 50A 28 12,-2.4 12,-3.1 -2,-0.2 -21,-0.2 -0.984 34.2-174.7-144.2 127.1 -91.2 95.9 -35.6 39 42 A N E -B 16 0A 8 -23,-2.8 -23,-2.1 -2,-0.4 10,-0.1 -0.889 9.8-180.0-117.0 99.6 -94.4 97.5 -34.5 40 43 A P S S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.710 72.8 58.4 -73.1 -21.3 -96.0 95.2 -31.9 41 44 A N S S+ 0 0 129 7,-0.2 -26,-0.1 5,-0.1 2,-0.1 0.998 109.0 23.5 -74.8 -74.7 -99.1 97.5 -31.4 42 45 A D S S- 0 0 77 2,-0.2 -26,-0.4 1,-0.1 -3,-0.1 -0.242 75.7-119.3 -85.8 177.4 -100.8 97.9 -34.8 43 46 A T S S+ 0 0 28 -28,-0.2 2,-0.3 2,-0.1 -26,-0.1 0.071 95.3 56.6-106.0 18.8 -100.7 95.6 -37.8 44 47 A V S S- 0 0 3 -28,-0.1 -2,-0.2 -5,-0.1 -28,-0.2 -0.863 103.3 -68.3-134.1 173.9 -99.2 98.4 -40.0 45 48 A W + 0 0 58 -2,-0.3 2,-0.3 -28,-0.1 -2,-0.1 -0.314 66.9 136.9 -63.5 145.1 -96.1 100.7 -39.7 46 49 A G - 0 0 17 -4,-0.1 -5,-0.1 -30,-0.1 -30,-0.1 -0.903 44.2 -65.3 177.0 156.0 -96.1 103.2 -36.9 47 50 A T S S+ 0 0 64 -2,-0.3 2,-0.2 2,-0.1 30,-0.1 -0.831 100.8 59.4 -98.8 137.8 -94.1 104.9 -34.1 48 51 A P S S- 0 0 23 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 0.315 80.5-173.8 -69.6 142.0 -92.9 103.8 -31.6 49 52 A L - 0 0 0 27,-0.4 29,-2.6 -2,-0.2 -10,-0.2 -0.960 2.3-168.5-117.5 131.4 -90.9 101.5 -33.8 50 53 A F E -C 38 0A 38 -12,-3.1 -12,-2.4 -2,-0.4 2,-0.8 -0.582 29.3-109.0-115.4 169.7 -88.8 98.7 -32.2 51 54 A W E -CD 37 69A 0 18,-2.3 17,-2.9 -14,-0.2 18,-0.9 -0.916 37.5-156.5 -97.2 105.8 -86.1 96.1 -33.0 52 55 A G E -C 36 0A 3 -16,-3.2 -16,-1.4 -2,-0.8 2,-0.4 -0.368 8.3-146.1 -73.8 162.9 -87.8 92.8 -32.9 53 56 A H E +CD 35 65A 2 12,-0.7 12,-2.0 -18,-0.2 2,-0.3 -0.990 22.9 165.8-143.3 129.1 -85.6 89.7 -32.2 54 57 A A E -CD 34 64A 0 -20,-3.1 -20,-2.9 -2,-0.4 2,-0.3 -0.998 16.6-153.2-142.3 140.5 -85.7 86.1 -33.3 55 58 A T E +CD 33 63A 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.3 -0.833 14.5 170.9-115.6 150.8 -83.1 83.4 -33.2 56 59 A S E -C 32 0A 0 -24,-2.0 -24,-4.1 -2,-0.3 6,-0.1 -0.967 27.5-158.0-146.3 162.0 -82.4 80.3 -35.2 57 60 A D S S+ 0 0 86 4,-0.5 5,-0.1 -2,-0.3 -24,-0.0 0.274 100.4 29.8-122.4 7.4 -79.7 77.6 -35.6 58 61 A D S S- 0 0 19 3,-0.4 275,-0.4 -26,-0.1 4,-0.1 0.327 98.9-122.7-140.4 -0.6 -80.6 76.5 -39.2 59 62 A L S S+ 0 0 5 2,-0.3 247,-0.4 1,-0.1 272,-0.1 0.475 101.8 72.5 69.0 4.8 -82.0 79.7 -40.7 60 63 A T S S+ 0 0 3 1,-0.3 2,-0.4 245,-0.1 -1,-0.1 0.651 91.9 50.1-116.4 -29.5 -85.2 78.0 -41.5 61 64 A N S S- 0 0 75 -51,-0.0 -4,-0.5 2,-0.0 -3,-0.4 -0.960 73.5-161.5-119.0 129.3 -86.8 77.5 -38.0 62 65 A W - 0 0 50 -2,-0.4 2,-0.4 -6,-0.1 -6,-0.2 -0.739 16.0-152.6-116.8 152.8 -87.1 80.5 -35.6 63 66 A E E -D 55 0A 85 -8,-2.6 -8,-2.3 -2,-0.3 2,-0.1 -0.993 27.6-123.7-119.1 130.4 -87.7 81.2 -31.9 64 67 A D E -D 54 0A 95 -2,-0.4 -10,-0.2 -10,-0.2 -12,-0.0 -0.395 29.9-171.1 -68.0 145.3 -89.3 84.5 -30.8 65 68 A Q E -D 53 0A 47 -12,-2.0 -12,-0.7 -2,-0.1 3,-0.1 -0.961 30.7 -84.9-135.3 155.4 -87.4 86.7 -28.4 66 69 A P E - 0 0 93 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.202 65.7 -72.8 -56.3 148.1 -88.2 89.9 -26.4 67 70 A I E - 0 0 71 1,-0.1 -15,-0.2 -15,-0.1 3,-0.1 -0.146 45.2-159.4 -41.5 128.4 -87.9 93.3 -28.1 68 71 A A E + 0 0 8 -17,-2.9 62,-0.5 1,-0.2 2,-0.3 0.865 66.7 18.4 -88.0 -42.0 -84.2 94.1 -28.5 69 72 A I E -D 51 0A 9 -18,-0.9 -18,-2.3 9,-0.1 -1,-0.2 -0.994 61.7-175.1-136.4 141.2 -84.1 97.9 -28.9 70 73 A A - 0 0 49 -2,-0.3 2,-0.2 -20,-0.2 -20,-0.1 -0.975 26.4-117.4-132.7 146.1 -86.6 100.7 -28.1 71 74 A P - 0 0 15 0, 0.0 7,-0.1 0, 0.0 39,-0.0 -0.610 20.3-130.4 -77.5 144.4 -86.7 104.4 -28.7 72 75 A K S S+ 0 0 165 -2,-0.2 2,-0.3 5,-0.1 3,-0.0 0.863 90.4 53.8 -56.2 -36.0 -86.8 106.7 -25.6 73 76 A R - 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