==== 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 18-JUL-05 2AC1 . COMPND 2 MOLECULE: INVERTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR M.VERHAEST,K.LE ROY,C.DE RANTER,A.VAN LAERE,W.VAN DEN ENDE,A . 537 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 195 36.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 58 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 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 RESIDUES PER ALPHA HELIX . 1 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 . 4 4 2 4 3 7 3 4 1 0 0 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 3 2 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 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 5 A N 0 0 190 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -64.1 103.7 113.6 -3.2 2 6 A Q > + 0 0 64 1,-0.1 3,-1.3 3,-0.1 304,-0.0 -0.544 360.0 160.5-128.9 65.9 100.4 112.0 -2.1 3 7 A P T 3 S+ 0 0 41 0, 0.0 503,-0.3 0, 0.0 -1,-0.1 0.717 75.0 48.9 -58.7 -24.8 100.5 112.2 1.7 4 8 A Y T 3 S+ 0 0 30 -3,-0.1 478,-0.3 478,-0.1 2,-0.2 0.479 79.9 108.9-100.1 -2.0 96.8 111.8 2.1 5 9 A R S < S- 0 0 57 -3,-1.3 2,-0.1 476,-0.1 -3,-0.1 -0.538 72.2-117.4 -73.6 140.3 96.2 108.8 -0.2 6 10 A T - 0 0 18 -2,-0.2 475,-0.1 1,-0.1 -1,-0.1 -0.464 11.4-150.5 -80.2 151.5 95.3 105.7 1.9 7 11 A G S S+ 0 0 12 -2,-0.1 527,-2.6 1,-0.1 -1,-0.1 0.691 93.3 13.7 -93.4 -20.3 97.4 102.6 2.0 8 12 A F S S+ 0 0 2 525,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.254 100.7 97.5-140.8 15.9 94.6 100.1 2.7 9 13 A H S S- 0 0 2 525,-0.1 2,-0.3 471,-0.1 304,-0.1 -0.793 79.8-101.7-104.1 149.3 91.3 101.8 2.0 10 14 A F + 0 0 5 302,-0.4 302,-2.3 -2,-0.3 -2,-0.1 -0.553 60.5 133.7 -74.2 134.6 89.5 101.4 -1.2 11 15 A Q - 0 0 8 -2,-0.3 300,-0.1 300,-0.2 299,-0.1 -0.897 54.5 -98.9-172.3 147.2 89.8 104.3 -3.6 12 16 A P - 0 0 4 0, 0.0 3,-0.1 0, 0.0 525,-0.1 -0.235 40.4-103.6 -69.0 166.1 90.5 104.6 -7.4 13 17 A P S S- 0 0 87 0, 0.0 2,-0.3 0, 0.0 524,-0.0 0.733 98.7 -18.9 -62.8 -20.1 94.0 105.5 -8.6 14 18 A K S S+ 0 0 118 295,-0.1 294,-0.3 2,-0.1 293,-0.1 -0.975 97.0 47.2-170.5 176.1 92.5 109.0 -9.2 15 19 A N E S-a 308 0A 15 292,-3.2 294,-1.6 -2,-0.3 26,-0.3 0.133 83.3 -33.8 70.0 177.7 89.5 111.2 -9.7 16 20 A W E +a 309 0A 36 24,-3.1 21,-2.2 21,-0.4 2,-0.4 -0.484 52.2 177.3 -76.9 135.6 86.1 111.5 -7.9 17 21 A M E +B 36 0B 0 292,-2.5 19,-0.2 -2,-0.2 2,-0.1 -0.997 7.9 155.0-135.8 137.9 84.3 108.7 -6.3 18 22 A N E + 0 0 12 17,-2.4 276,-0.1 -2,-0.4 17,-0.1 -0.216 47.9 28.8-130.6-130.1 81.1 108.6 -4.3 19 23 A D E S- 0 0 17 15,-0.1 16,-2.4 -2,-0.1 -1,-0.3 0.139 70.2-122.9 -35.8 135.7 78.4 106.0 -3.5 20 24 A P E -B 34 0B 1 0, 0.0 2,-0.3 0, 0.0 14,-0.3 -0.635 37.1-153.0 -79.4 143.9 79.4 102.3 -3.4 21 25 A N E -B 33 0B 0 12,-4.1 12,-2.0 -2,-0.3 60,-0.2 -0.937 49.8 -11.3-128.2 149.3 77.2 100.4 -5.9 22 26 A G E - 0 0 0 58,-2.1 59,-0.2 -2,-0.3 -1,-0.1 0.755 68.1-166.8 38.0 46.1 75.9 96.9 -6.4 23 27 A P E + 0 0 3 0, 0.0 59,-0.4 0, 0.0 2,-0.3 -0.362 26.5 142.5 -59.7 137.7 78.1 95.2 -3.8 24 28 A M E -B 31 0B 4 7,-1.8 7,-3.3 256,-0.1 2,-0.4 -0.978 47.3-124.5-165.6 174.4 77.8 91.5 -4.3 25 29 A I E +B 30 0B 15 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -1.000 28.8 168.5-132.9 130.3 79.5 88.0 -4.3 26 30 A Y E > -B 29 0B 33 3,-2.3 3,-1.9 -2,-0.4 -2,-0.0 -0.971 68.2 -9.4-147.9 129.1 79.5 85.7 -7.3 27 31 A K T 3 S- 0 0 130 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.877 128.9 -54.5 51.2 42.3 81.4 82.5 -7.9 28 32 A G T 3 S+ 0 0 52 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.574 115.1 117.0 71.9 10.1 83.5 83.2 -4.8 29 33 A I E < -B 26 0B 12 -3,-1.9 -3,-2.3 87,-0.1 2,-0.3 -0.947 59.0-138.9-118.0 124.6 84.5 86.6 -6.0 30 34 A Y E -BC 25 53B 9 23,-3.0 23,-2.5 -2,-0.5 2,-0.4 -0.585 19.6-156.5 -78.4 137.6 83.5 89.8 -4.2 31 35 A H E -BC 24 52B 1 -7,-3.3 -7,-1.8 -2,-0.3 2,-0.4 -0.949 12.4-175.3-120.6 137.8 82.4 92.7 -6.4 32 36 A L E - C 0 51B 0 19,-2.6 19,-2.0 -2,-0.4 2,-0.3 -0.996 3.2-179.2-131.0 124.9 82.4 96.4 -5.7 33 37 A F E -BC 21 50B 0 -12,-2.0 -12,-4.1 -2,-0.4 2,-0.3 -0.830 11.0-177.5-114.8 157.9 81.0 99.0 -8.1 34 38 A Y E -BC 20 49B 9 15,-1.4 15,-2.9 -2,-0.3 2,-0.4 -0.980 36.5 -96.5-161.7 146.8 81.1 102.8 -7.4 35 39 A Q E + C 0 48B 4 -16,-2.4 -17,-2.4 -2,-0.3 2,-0.3 -0.478 55.1 174.9 -63.1 118.9 80.0 106.2 -8.7 36 40 A W E -BC 17 47B 39 11,-2.6 11,-2.0 -2,-0.4 -19,-0.2 -0.970 34.0-141.4-134.9 147.2 83.1 107.4 -10.5 37 41 A N > - 0 0 4 -21,-2.2 3,-1.1 -2,-0.3 -21,-0.4 -0.919 12.6-157.8-106.9 107.2 84.0 110.5 -12.6 38 42 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.649 88.4 26.5 -58.8 -17.2 86.4 109.3 -15.4 39 43 A K T 3 S+ 0 0 162 5,-0.2 2,-0.3 3,-0.1 6,-0.1 0.101 113.0 48.0-141.2 35.1 87.7 112.8 -15.9 40 44 A G < - 0 0 16 -3,-1.1 -24,-3.1 4,-0.1 -3,-0.3 -0.990 59.1-132.9-168.4 158.3 87.5 114.9 -12.8 41 45 A A S S+ 0 0 10 -26,-0.3 2,-0.3 -2,-0.3 -24,-0.1 0.193 93.8 65.0 -97.6 11.1 88.1 115.2 -9.0 42 46 A V S S- 0 0 63 -26,-0.1 -26,-0.3 261,-0.1 -3,-0.1 -0.847 105.2 -73.4-125.8 165.5 84.6 116.6 -8.5 43 47 A W S S+ 0 0 128 -2,-0.3 2,-0.2 -26,-0.1 -2,-0.1 -0.344 81.0 99.9 -60.3 138.6 81.2 115.0 -9.1 44 48 A G + 0 0 11 -4,-0.1 -5,-0.2 -28,-0.1 3,-0.2 -0.793 58.3 37.0 157.8 160.4 80.4 114.6 -12.7 45 49 A N S S- 0 0 95 -2,-0.2 -9,-0.1 1,-0.2 31,-0.1 0.789 81.3-162.1 45.5 31.6 80.2 112.3 -15.8 46 50 A I + 0 0 5 -9,-0.1 31,-1.3 29,-0.1 2,-0.3 -0.111 21.1 160.6 -52.7 129.5 79.2 109.7 -13.2 47 51 A V E -C 36 0B 10 -11,-2.0 -11,-2.6 -3,-0.2 2,-0.8 -0.868 47.0 -94.5-138.5 173.2 79.5 106.0 -14.2 48 52 A W E -CD 35 66B 0 18,-3.1 17,-1.6 -2,-0.3 18,-1.1 -0.843 40.5-162.8 -96.0 105.6 79.8 102.7 -12.4 49 53 A A E -C 34 0B 4 -15,-2.9 -15,-1.4 -2,-0.8 2,-0.4 -0.440 12.4-140.7 -81.2 164.6 83.4 101.8 -12.0 50 54 A H E +CD 33 62B 2 12,-0.7 12,-1.0 -17,-0.2 2,-0.3 -0.983 26.4 163.0-139.3 140.3 84.3 98.2 -11.2 51 55 A S E -CD 32 61B 0 -19,-2.0 -19,-2.6 -2,-0.4 2,-0.3 -0.989 16.6-152.9-148.5 151.0 86.7 96.2 -9.0 52 56 A T E +CD 31 60B 0 8,-2.0 8,-2.8 -2,-0.3 2,-0.3 -0.924 13.3 174.7-128.7 155.3 86.8 92.6 -7.8 53 57 A S E -C 30 0B 1 -23,-2.5 -23,-3.0 -2,-0.3 6,-0.1 -0.979 31.3-152.2-153.0 160.9 88.4 90.9 -4.8 54 58 A T S S+ 0 0 104 4,-0.5 5,-0.1 -2,-0.3 -1,-0.1 0.446 103.7 28.0-113.9 -4.5 88.6 87.6 -3.0 55 59 A D S S- 0 0 18 3,-0.4 279,-0.1 -25,-0.1 4,-0.1 0.322 100.2-117.4-135.5 3.6 89.1 89.0 0.5 56 60 A L S S+ 0 0 2 2,-0.3 3,-0.1 1,-0.1 276,-0.1 0.562 104.8 70.3 66.2 10.1 87.4 92.4 0.5 57 61 A I S S+ 0 0 5 1,-0.3 2,-0.5 257,-0.1 -1,-0.1 0.692 88.2 52.8-120.2 -43.8 90.7 94.1 1.1 58 62 A N S S- 0 0 57 476,-0.1 -4,-0.5 478,-0.1 -3,-0.4 -0.901 74.0-163.4-100.8 123.5 92.8 93.7 -2.1 59 63 A W B -e 536 0C 3 476,-1.5 478,-0.7 -2,-0.5 -6,-0.2 -0.910 12.1-152.0-118.5 139.0 91.1 94.9 -5.2 60 64 A D E -D 52 0B 79 -8,-2.8 -8,-2.0 -2,-0.4 476,-0.0 -0.880 26.1-116.9-108.2 133.1 91.7 94.4 -8.9 61 65 A P E +D 51 0B 69 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.140 32.2 174.2 -64.4 157.9 90.7 96.9 -11.6 62 66 A H E -D 50 0B 41 -12,-1.0 -12,-0.7 -11,-0.0 3,-0.1 -0.969 38.8 -85.1-158.8 156.2 88.1 96.4 -14.4 63 67 A P E - 0 0 83 0, 0.0 -12,-0.0 0, 0.0 0, 0.0 -0.309 64.2 -76.7 -67.0 152.7 86.6 98.7 -17.0 64 68 A P E - 0 0 49 0, 0.0 -15,-0.2 0, 0.0 3,-0.1 -0.247 43.6-157.8 -48.9 128.0 83.5 100.7 -16.1 65 69 A A E S+ 0 0 9 -17,-1.6 56,-0.4 1,-0.2 2,-0.4 0.831 74.4 27.0 -81.9 -35.7 80.6 98.3 -16.1 66 70 A I E S+D 48 0B 2 -18,-1.1 -18,-3.1 11,-0.1 -1,-0.2 -0.994 70.9 148.0-133.6 128.2 77.7 100.7 -16.6 67 71 A F - 0 0 99 -2,-0.4 -20,-0.1 -20,-0.2 -21,-0.1 -0.983 55.6 -67.3-154.5 153.0 78.0 104.1 -18.3 68 72 A P + 0 0 47 0, 0.0 6,-0.2 0, 0.0 9,-0.1 -0.140 69.2 128.8 -46.4 125.0 75.7 106.3 -20.4 69 73 A S + 0 0 76 1,-0.3 5,-0.1 0, 0.0 3,-0.0 0.298 60.9 44.5-159.8 -2.2 74.9 104.7 -23.8 70 74 A A S > S- 0 0 17 1,-0.1 3,-1.6 0, 0.0 -1,-0.3 -0.940 86.8 -99.3-145.6 167.0 71.1 104.8 -24.2 71 75 A P G > S+ 0 0 89 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.853 117.0 61.3 -57.2 -36.6 68.2 107.2 -23.8 72 76 A F G 3 S+ 0 0 25 1,-0.2 32,-0.2 26,-0.2 24,-0.1 0.581 125.3 16.2 -71.0 -8.3 67.2 105.7 -20.4 73 77 A D G X S+ 0 0 0 -3,-1.6 3,-1.5 23,-0.2 -1,-0.2 0.087 85.0 125.4-148.0 27.1 70.6 106.6 -18.9 74 78 A I T < S+ 0 0 82 -3,-0.8 24,-0.2 -4,-0.3 -2,-0.1 0.835 80.2 42.0 -59.7 -34.9 71.9 109.2 -21.4 75 79 A N T 3 S- 0 0 82 22,-2.6 -1,-0.3 -4,-0.3 2,-0.2 0.254 128.7 -32.1 -98.4 12.7 72.5 111.8 -18.7 76 80 A G < - 0 0 4 -3,-1.5 21,-1.6 21,-0.4 2,-0.6 -0.535 40.6-124.0 146.7 147.2 74.0 109.6 -16.1 77 81 A C E -F 96 0D 0 -31,-1.3 19,-0.2 19,-0.2 3,-0.1 -0.854 41.8-175.9-117.8 92.5 74.2 106.2 -14.4 78 82 A W E - 0 0 49 17,-2.6 17,-0.3 -2,-0.6 -2,-0.0 -0.092 33.6 -49.5 -79.9-177.6 73.4 106.8 -10.7 79 83 A S E + 0 0 4 15,-0.2 16,-1.6 1,-0.1 66,-0.6 0.060 60.9 143.2 -56.0 157.5 73.5 104.4 -7.8 80 84 A G E -F 94 0D 1 14,-0.2 -58,-2.1 65,-0.2 2,-0.3 -0.952 34.7-104.7-172.8-172.6 71.8 101.0 -7.5 81 85 A S E -F 93 0D 0 12,-1.6 12,-2.3 66,-0.3 2,-0.4 -0.899 18.3-122.5-135.4 160.5 72.1 97.5 -6.1 82 86 A A E -F 92 0D 6 -59,-0.4 2,-0.4 -2,-0.3 10,-0.2 -0.847 21.5-165.3-105.1 137.9 72.8 93.9 -7.2 83 87 A T E -F 91 0D 3 8,-3.1 8,-2.9 -2,-0.4 2,-0.8 -0.973 14.9-141.3-122.7 136.7 70.3 91.1 -6.7 84 88 A I E -F 90 0D 68 -2,-0.4 5,-0.1 6,-0.2 4,-0.1 -0.874 24.3-142.6 -98.0 110.7 71.2 87.4 -7.0 85 89 A L > - 0 0 25 4,-3.2 3,-2.3 -2,-0.8 4,-0.0 -0.265 26.8-101.5 -69.3 159.5 68.2 85.6 -8.6 86 90 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.826 122.4 59.2 -49.2 -39.0 67.2 82.1 -7.5 87 91 A N T 3 S- 0 0 119 2,-0.1 -2,-0.1 1,-0.1 -3,-0.0 0.294 124.6-104.7 -75.5 10.4 68.9 80.5 -10.5 88 92 A G S < S+ 0 0 32 -3,-2.3 -1,-0.1 1,-0.2 0, 0.0 0.463 77.5 138.3 81.3 0.6 72.1 82.1 -9.3 89 93 A K - 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