==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 08-NOV-05 2D62 . COMPND 2 MOLECULE: MULTIPLE SUGAR-BINDING TRANSPORT ATP-BINDING . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR N.K.LOKANATH,E.MIZOHATA,E.YAMAGUCHI-SIHTA,L.CHEN,Z.J.LIU, . 375 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 22.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 . 1 0.3 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 . 30 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 2 1 0 2 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 2 2 3 1 3 2 1 1 0 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 . 0 0 0 2 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 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 X 0 0 216 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -80.9 -10.5 25.9 26.7 2 2 A I + 0 0 97 3,-0.0 3,-0.1 28,-0.0 2,-0.0 -0.569 360.0 149.3-169.8 98.7 -6.8 26.0 27.5 3 3 A G S S- 0 0 70 1,-0.2 2,-0.6 -2,-0.1 27,-0.0 0.311 70.5 -25.1 -99.9-129.3 -4.0 23.9 26.1 4 4 A X - 0 0 95 62,-0.0 27,-0.4 2,-0.0 -1,-0.2 -0.796 68.3-130.7 -91.1 122.6 -0.4 25.1 25.7 5 5 A A - 0 0 17 -2,-0.6 61,-0.5 1,-0.2 62,-0.4 -0.455 2.2-143.8 -69.9 139.9 -0.2 28.9 25.4 6 6 A E S S+ 0 0 6 23,-1.8 60,-1.4 1,-0.3 2,-0.4 0.853 91.6 17.2 -72.4 -32.3 1.9 30.1 22.5 7 7 A V E S-AB 29 65A 0 22,-1.7 22,-3.4 58,-0.2 2,-0.4 -0.999 73.7-176.0-139.5 135.4 3.0 33.0 24.6 8 8 A K E -AB 28 64A 65 56,-2.5 56,-2.9 -2,-0.4 2,-0.4 -0.976 8.8-168.1-141.0 125.6 2.7 33.3 28.4 9 9 A L E -AB 27 63A 0 18,-2.9 18,-1.7 -2,-0.4 2,-0.5 -0.904 9.9-165.1-109.1 137.4 3.6 36.2 30.7 10 10 A I E - B 0 62A 41 52,-2.9 52,-2.2 -2,-0.4 16,-0.2 -0.962 66.1 -29.5-131.4 115.8 3.7 35.5 34.5 11 11 A N E S- 0 0 75 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 0.878 84.3-175.9 47.6 47.2 3.7 38.3 37.1 12 12 A I E +A 25 0A 0 13,-2.8 13,-3.1 49,-0.2 2,-0.3 -0.586 9.4 177.9 -81.0 131.3 5.5 40.6 34.7 13 13 A W E - B 0 60A 33 47,-2.6 46,-3.0 -2,-0.3 47,-1.3 -0.947 11.4-170.6-129.3 150.7 6.6 44.0 35.8 14 14 A K E -A 22 0A 31 8,-2.4 7,-2.2 -2,-0.3 8,-1.6 -0.925 7.6-176.0-145.4 118.2 8.4 46.8 34.1 15 15 A R E -A 20 0A 112 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.904 14.9-169.1-117.0 143.5 9.7 49.9 35.8 16 16 A F E > S-A 19 0A 98 3,-3.1 3,-1.7 -2,-0.4 2,-0.3 -0.896 72.3 -54.8-127.9 94.4 11.4 53.0 34.4 17 17 A G T 3 S- 0 0 74 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.549 121.1 -20.2 70.6-129.9 12.8 54.9 37.4 18 18 A D T 3 S+ 0 0 154 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.202 120.0 100.1 -95.9 15.5 9.9 55.5 39.8 19 19 A V E < -A 16 0A 82 -3,-1.7 -3,-3.1 0, 0.0 2,-0.8 -0.904 62.2-153.2-106.4 119.3 7.4 55.0 36.9 20 20 A T E +A 15 0A 51 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.818 17.5 174.5 -92.3 109.4 5.8 51.5 36.8 21 21 A A E S+ 0 0 16 -7,-2.2 2,-0.4 -2,-0.8 -1,-0.2 0.858 72.6 22.4 -82.0 -39.3 4.8 50.9 33.1 22 22 A V E S-A 14 0A 0 -8,-1.6 -8,-2.4 25,-0.1 2,-0.5 -0.999 73.9-159.9-132.2 132.3 3.6 47.4 33.5 23 23 A K E - 0 0 90 196,-3.2 198,-0.3 -2,-0.4 -10,-0.2 -0.939 60.8 -37.8-125.1 119.3 2.4 45.9 36.8 24 24 A D E S- 0 0 81 -2,-0.5 2,-0.5 -13,-0.2 -13,-0.2 0.857 77.7-175.3 39.9 53.9 2.1 42.3 37.8 25 25 A L E +A 12 0A 2 -13,-3.1 -13,-2.8 -15,-0.1 2,-0.4 -0.661 15.1 176.7 -86.2 123.8 0.9 41.2 34.3 26 26 A S E + 0 0 55 -2,-0.5 2,-0.3 -16,-0.2 -16,-0.2 -0.996 15.6 152.7-124.6 126.1 -0.1 37.6 33.7 27 27 A L E -A 9 0A 12 -18,-1.7 -18,-2.9 -2,-0.4 2,-0.5 -0.970 29.8-153.9-158.0 138.8 -1.4 36.7 30.3 28 28 A E E -A 8 0A 65 -2,-0.3 2,-0.5 -20,-0.2 -20,-0.2 -0.960 11.1-158.1-116.3 127.9 -1.7 33.7 28.0 29 29 A I E -A 7 0A 1 -22,-3.4 -23,-1.8 -2,-0.5 -22,-1.7 -0.911 20.6-126.4-106.6 131.5 -1.9 34.2 24.2 30 30 A K > - 0 0 99 -2,-0.5 3,-1.7 -25,-0.2 2,-0.2 -0.478 27.8 -98.4 -80.6 146.3 -3.3 31.3 22.2 31 31 A D T 3 S+ 0 0 111 -27,-0.4 -1,-0.1 1,-0.3 3,-0.1 -0.411 106.8 6.8 -62.5 124.5 -1.6 29.6 19.3 32 32 A G T 3 S+ 0 0 24 1,-0.3 -1,-0.3 -2,-0.2 2,-0.1 0.361 98.8 126.9 86.1 -5.4 -2.9 31.1 16.0 33 33 A E < - 0 0 14 -3,-1.7 163,-2.7 160,-0.0 2,-0.8 -0.439 61.8-127.9 -86.8 161.0 -5.1 33.8 17.5 34 34 A F E -e 196 0B 0 161,-0.2 177,-2.7 -2,-0.1 178,-1.4 -0.907 34.1-170.8-104.9 99.7 -5.1 37.5 16.7 35 35 A L E -ef 197 212B 0 161,-3.2 163,-3.0 -2,-0.8 2,-0.5 -0.851 6.6-156.8-100.6 122.8 -4.7 39.1 20.1 36 36 A V E -ef 198 213B 0 176,-2.4 178,-3.6 -2,-0.6 2,-0.8 -0.832 8.4-151.1-101.7 130.4 -5.2 42.8 20.5 37 37 A L E -ef 199 214B 1 161,-2.9 163,-2.0 -2,-0.5 2,-0.4 -0.891 27.8-175.4 -97.1 107.9 -3.6 44.8 23.4 38 38 A L E +ef 200 215B 0 176,-2.4 178,-2.6 -2,-0.8 163,-0.2 -0.902 19.2 116.7-112.5 135.6 -6.1 47.7 23.7 39 39 A G - 0 0 0 161,-1.0 178,-0.2 -2,-0.4 3,-0.1 -0.954 58.7 -76.3 179.2 163.3 -5.7 50.6 26.0 40 40 A P S > S- 0 0 41 0, 0.0 3,-1.6 0, 0.0 5,-0.3 -0.218 70.2 -68.5 -69.5 164.5 -5.3 54.4 26.3 41 41 A S T 3 S+ 0 0 114 1,-0.3 160,-0.0 2,-0.1 0, 0.0 -0.264 122.9 20.6 -54.2 133.5 -2.0 56.1 25.7 42 42 A G T 3 S+ 0 0 71 -3,-0.1 -1,-0.3 175,-0.1 175,-0.1 0.604 82.0 124.4 82.7 13.8 0.5 55.3 28.4 43 43 A C S < S- 0 0 2 -3,-1.6 176,-1.6 175,-0.2 174,-0.2 0.542 83.9-106.0 -83.7 -5.9 -1.2 52.1 29.6 44 44 A G S > S+ 0 0 9 -4,-0.1 4,-2.1 174,-0.1 5,-0.1 0.471 82.7 124.9 98.3 3.2 1.8 49.9 29.1 45 45 A K H > S+ 0 0 17 -5,-0.3 4,-2.2 1,-0.2 5,-0.1 0.881 75.7 47.3 -64.9 -39.2 0.8 48.1 26.0 46 46 A T H > S+ 0 0 55 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 112.2 49.9 -68.6 -40.1 3.8 49.0 23.9 47 47 A T H > S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.900 110.4 51.7 -63.8 -39.9 6.2 48.1 26.7 48 48 A T H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.932 110.4 47.7 -62.0 -46.4 4.4 44.8 27.0 49 49 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.894 110.6 51.6 -62.7 -41.1 4.9 44.2 23.3 50 50 A R H X>S+ 0 0 90 -4,-2.5 5,-2.2 1,-0.2 4,-1.6 0.836 107.9 52.1 -67.4 -31.1 8.5 45.1 23.4 51 51 A X H <5S+ 0 0 0 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.881 109.4 49.1 -71.4 -37.2 9.2 42.7 26.3 52 52 A I H <5S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.866 111.2 51.2 -67.9 -34.8 7.6 39.9 24.3 53 53 A A H <5S- 0 0 3 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.834 113.4-121.2 -70.2 -33.3 9.7 40.8 21.4 54 54 A G T <5S+ 0 0 4 -4,-1.6 -3,-0.2 2,-0.3 -4,-0.1 0.571 83.0 116.2 99.8 12.1 12.8 40.7 23.5 55 55 A L S S-BC 7 68A 7 3,-2.2 3,-1.2 -2,-0.3 -58,-0.2 -0.963 87.0 -20.8-131.2 109.3 7.1 31.1 24.1 66 66 A E T 3 S- 0 0 61 -60,-1.4 -60,-0.1 -61,-0.5 -59,-0.1 0.914 128.5 -51.2 54.5 47.6 5.8 27.6 23.6 67 67 A D T 3 S+ 0 0 109 -62,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.615 112.7 120.8 68.0 13.2 6.9 26.5 27.1 68 68 A N E < -C 65 0A 109 -3,-1.2 -3,-2.2 16,-0.1 2,-0.4 -0.944 66.6-125.1-109.4 125.0 10.4 27.8 26.6 69 69 A L E +C 64 0A 52 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.547 36.8 165.9 -69.7 120.6 11.6 30.5 29.0 70 70 A V E + 0 0 7 -7,-2.8 9,-2.3 -2,-0.4 2,-0.3 0.539 63.4 30.7-112.2 -10.4 12.7 33.5 27.0 71 71 A A E +CD 63 78A 0 -8,-1.4 -8,-1.9 7,-0.2 -1,-0.3 -0.926 50.1 133.0-157.4 129.5 12.8 36.1 29.9 72 72 A D E > > - D 0 77A 10 5,-2.7 5,-2.2 -2,-0.3 3,-1.4 -0.582 27.4-162.9-169.5 96.5 13.4 36.2 33.6 73 73 A P G > 5S+ 0 0 36 0, 0.0 3,-0.7 0, 0.0 -13,-0.1 0.792 91.1 57.3 -56.5 -31.3 15.8 38.9 34.8 74 74 A E G 3 5S+ 0 0 139 -13,-0.2 -14,-0.0 1,-0.2 -15,-0.0 0.713 110.3 44.1 -75.0 -19.4 16.4 37.2 38.2 75 75 A K G < 5S- 0 0 156 -3,-1.4 -1,-0.2 2,-0.2 3,-0.1 0.333 114.2-113.4-104.2 3.6 17.6 34.0 36.5 76 76 A G T < 5 + 0 0 69 -3,-0.7 2,-0.6 -4,-0.4 -2,-0.1 0.833 69.4 143.3 67.7 30.3 19.8 35.9 34.0 77 77 A V E < +D 72 0A 38 -5,-2.2 -5,-2.7 2,-0.0 -1,-0.2 -0.917 6.6 145.1-109.3 114.5 17.6 34.7 31.1 78 78 A F E -D 71 0A 81 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.622 29.8-161.3-148.1 79.0 17.1 37.3 28.3 79 79 A V - 0 0 36 -9,-2.3 5,-0.1 -2,-0.1 -9,-0.0 -0.444 24.6-116.2 -66.5 127.1 16.8 35.5 24.9 80 80 A P >> - 0 0 70 0, 0.0 4,-0.9 0, 0.0 3,-0.9 -0.274 27.8-106.1 -63.8 152.5 17.4 37.8 22.0 81 81 A P H >>>S+ 0 0 43 0, 0.0 4,-1.1 0, 0.0 3,-1.1 0.865 117.9 55.6 -43.6 -49.2 14.6 38.4 19.5 82 82 A K H 345S+ 0 0 165 1,-0.3 3,-0.4 2,-0.2 -28,-0.0 0.874 107.6 48.2 -56.9 -40.6 16.1 36.2 16.8 83 83 A E H <45S+ 0 0 135 -3,-0.9 -1,-0.3 1,-0.2 -4,-0.1 0.628 106.5 57.9 -76.9 -12.5 16.3 33.2 19.1 84 84 A R H <<5S- 0 0 6 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.710 99.8-136.6 -86.5 -22.1 12.7 33.6 20.3 85 85 A D T <5 + 0 0 60 -4,-1.1 77,-3.7 -3,-0.4 78,-0.9 0.899 61.3 126.1 65.2 42.9 11.4 33.4 16.7 86 86 A V E < -g 163 0B 6 -5,-1.0 2,-0.5 75,-0.2 -1,-0.3 -0.997 46.7-150.2-129.5 133.2 9.0 36.3 17.1 87 87 A A E -g 164 0B 1 76,-2.6 78,-2.7 -2,-0.4 2,-0.7 -0.924 11.0-146.7-117.8 129.1 9.1 39.2 14.7 88 88 A X E +g 165 0B 34 -2,-0.5 2,-0.2 76,-0.2 78,-0.2 -0.791 41.7 168.6 -85.6 115.9 8.2 42.8 15.3 89 89 A V + 0 0 7 76,-2.9 78,-0.5 -2,-0.7 67,-0.1 -0.742 35.7 39.7-129.2 176.4 6.8 43.9 11.9 90 90 A F + 0 0 14 -2,-0.2 -1,-0.2 62,-0.2 77,-0.1 0.821 68.4 173.0 56.5 38.6 4.9 46.7 10.0 91 91 A Q - 0 0 91 -3,-0.2 2,-1.6 1,-0.1 -1,-0.1 -0.244 47.5 -84.2 -69.5 165.9 6.7 49.5 11.8 92 92 A S S S+ 0 0 129 76,-0.0 2,-0.3 78,-0.0 -1,-0.1 -0.547 81.2 121.0 -78.0 86.4 6.1 53.1 10.6 93 93 A Y - 0 0 93 -2,-1.6 3,-0.1 59,-0.0 -3,-0.0 -0.991 60.5-107.4-148.7 139.0 8.6 53.5 7.7 94 94 A A - 0 0 83 -2,-0.3 2,-0.0 1,-0.1 0, 0.0 -0.107 43.4 -92.0 -60.6 158.8 8.1 54.4 4.0 95 95 A L - 0 0 20 1,-0.1 -1,-0.1 2,-0.1 6,-0.1 -0.349 53.9 -91.1 -66.2 154.2 8.5 51.8 1.2 96 96 A Y > - 0 0 69 1,-0.2 3,-1.8 4,-0.1 -1,-0.1 -0.606 38.9-154.8 -73.1 107.4 12.0 51.8 -0.2 97 97 A P T 3 S+ 0 0 68 0, 0.0 44,-0.3 0, 0.0 -1,-0.2 0.762 89.2 47.3 -53.6 -32.8 11.7 54.3 -3.1 98 98 A H T 3 S+ 0 0 157 41,-0.1 2,-0.3 42,-0.1 -2,-0.1 0.157 101.0 80.7-100.7 20.2 14.5 52.9 -5.1 99 99 A X S < S- 0 0 42 -3,-1.8 2,-0.0 1,-0.0 38,-0.0 -0.921 79.2-119.5-122.3 148.2 13.4 49.3 -4.9 100 100 A T > - 0 0 24 -2,-0.3 4,-2.2 39,-0.2 39,-0.2 -0.252 35.4-101.8 -76.4 173.3 10.6 47.6 -6.8 101 101 A V H > S+ 0 0 1 37,-1.7 4,-2.1 34,-0.5 5,-0.2 0.918 124.7 54.8 -61.2 -43.0 7.6 46.1 -5.1 102 102 A Y H > S+ 0 0 40 34,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.942 112.3 40.6 -54.6 -54.0 9.2 42.7 -5.5 103 103 A D H > S+ 0 0 54 33,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.788 109.1 60.1 -68.5 -29.7 12.5 43.8 -3.8 104 104 A N H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.918 113.8 38.2 -62.3 -42.4 10.6 45.8 -1.1 105 105 A I H < S+ 0 0 0 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.829 117.5 50.0 -77.4 -34.3 8.9 42.5 -0.1 106 106 A A H >X S+ 0 0 1 -4,-2.2 4,-2.4 -5,-0.2 3,-1.2 0.794 89.4 84.0 -75.3 -29.1 12.0 40.4 -0.6 107 107 A F H 3X S+ 0 0 58 -4,-2.4 4,-2.3 1,-0.3 5,-0.2 0.832 83.6 55.4 -45.1 -49.5 14.3 42.6 1.5 108 108 A P H 34 S+ 0 0 13 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.874 115.8 39.7 -56.1 -35.3 13.5 41.2 4.9 109 109 A L H X4>S+ 0 0 4 -3,-1.2 5,-1.8 -4,-0.3 3,-1.1 0.848 110.1 57.5 -81.2 -36.7 14.3 37.7 3.7 110 110 A K H ><5S+ 0 0 115 -4,-2.4 3,-1.2 1,-0.3 -3,-0.2 0.898 105.9 51.8 -60.5 -38.9 17.4 38.7 1.7 111 111 A L T 3<5S+ 0 0 110 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.603 107.5 55.1 -72.4 -11.6 18.8 40.2 4.8 112 112 A R T < 5S- 0 0 120 -3,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.145 116.6-106.0-111.2 20.8 18.2 36.9 6.6 113 113 A K T < 5 + 0 0 183 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.773 59.3 161.5 65.2 31.2 20.1 34.6 4.3 114 114 A V < - 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