==== 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 SUGAR BINDING PROTEIN 31-JUL-07 2QSK . COMPND 2 MOLECULE: SCYTOVIRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SCYTONEMA VARIUM; . AUTHOR T.MOULAEI,I.BOTOS,N.E.ZIOLKOWSKA,Z.DAUTER,A.WLODAWER . 95 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 46.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 6 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 18.9 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+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 8 0, 0.0 23,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0-149.0 26.1 0.0 -8.1 2 2 A S - 0 0 87 1,-0.1 27,-0.2 22,-0.0 25,-0.1 0.712 360.0 -39.7 -74.3 -27.1 26.9 -3.6 -7.2 3 3 A G S > S- 0 0 12 25,-0.6 3,-2.2 27,-0.1 27,-0.1 -0.976 79.0 -56.1 175.4-178.4 24.2 -4.3 -4.6 4 4 A P T 3 S+ 0 0 60 0, 0.0 24,-0.1 0, 0.0 44,-0.1 0.648 121.1 62.0 -65.9 -17.6 22.2 -3.0 -1.7 5 5 A T T 3 S+ 0 0 46 23,-0.1 88,-1.0 2,-0.1 2,-0.5 0.470 82.3 95.6 -85.8 -1.9 25.2 -2.2 0.5 6 6 A Y < - 0 0 12 -3,-2.2 22,-1.7 86,-0.2 2,-0.5 -0.794 63.8-160.8 -85.3 126.3 26.5 0.4 -2.1 7 7 A a + 0 0 30 -2,-0.5 2,-0.3 86,-0.4 20,-0.1 -0.943 20.7 155.5-116.5 127.2 25.3 3.9 -1.1 8 8 A W - 0 0 107 -2,-0.5 2,-0.9 17,-0.0 19,-0.1 -0.984 38.1-133.5-150.0 134.5 25.1 6.8 -3.5 9 9 A N > - 0 0 80 -2,-0.3 3,-1.0 1,-0.1 -2,-0.0 -0.793 18.8-172.7 -90.1 102.4 23.0 10.0 -3.5 10 10 A E G > + 0 0 13 -2,-0.9 8,-2.0 1,-0.2 3,-1.5 0.600 68.9 83.8 -70.8 -13.3 21.6 10.2 -7.0 11 11 A A G 3 S+ 0 0 52 1,-0.3 -1,-0.2 6,-0.2 8,-0.0 0.810 93.2 45.2 -61.2 -31.4 20.1 13.7 -6.4 12 12 A N G < S+ 0 0 123 -3,-1.0 -1,-0.3 5,-0.1 -2,-0.1 0.183 83.9 137.9 -99.8 16.2 23.4 15.4 -7.2 13 13 A N X - 0 0 10 -3,-1.5 3,-2.1 1,-0.1 7,-0.1 -0.193 65.1 -91.2 -67.9 153.3 24.4 13.5 -10.3 14 14 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.389 114.8 20.4 -59.3 134.2 25.9 15.2 -13.3 15 15 A G T 3 S- 0 0 77 -3,-0.1 5,-0.1 -2,-0.1 -2,-0.1 0.290 131.7 -55.4 87.3 -10.1 23.1 16.2 -15.7 16 16 A G S X S- 0 0 23 -3,-2.1 3,-2.0 3,-0.2 -3,-0.1 -0.546 85.4 -28.6 129.8 169.9 20.5 16.1 -13.1 17 17 A P T 3 S+ 0 0 82 0, 0.0 -6,-0.2 0, 0.0 3,-0.1 -0.258 126.0 4.8 -55.1 134.9 18.9 13.9 -10.4 18 18 A N T 3 S+ 0 0 68 -8,-2.0 20,-2.7 1,-0.2 2,-0.3 0.562 96.4 133.9 69.3 11.7 19.0 10.2 -11.3 19 19 A R B < +A 37 0A 81 -3,-2.0 2,-0.3 -9,-0.4 18,-0.3 -0.646 28.9 167.5 -91.9 153.1 21.1 10.7 -14.4 20 20 A b - 0 0 16 16,-2.0 3,-0.1 -2,-0.3 11,-0.0 -0.997 44.2-167.8-157.8 156.0 24.2 8.6 -15.1 21 21 A S S S+ 0 0 101 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.426 87.9 29.5-115.8 -12.3 26.9 7.4 -17.4 22 22 A N S > S- 0 0 70 14,-0.1 3,-1.8 1,-0.1 -1,-0.2 -0.970 80.8-111.2-145.7 159.5 28.0 4.5 -15.2 23 23 A N G > S+ 0 0 83 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.748 109.3 70.6 -61.2 -26.0 26.6 2.1 -12.6 24 24 A K G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -23,-0.1 7,-0.0 0.633 90.6 62.2 -66.6 -15.1 28.6 3.7 -9.8 25 25 A Q G < S+ 0 0 26 -3,-1.8 2,-0.4 2,-0.1 -1,-0.3 0.297 92.3 81.9 -92.9 10.4 26.3 6.8 -10.1 26 26 A c S < S- 0 0 0 -3,-1.7 2,-0.1 4,-0.2 -17,-0.1 -0.933 84.2-112.8-120.9 138.5 23.3 4.7 -9.1 27 27 A D > - 0 0 25 -2,-0.4 3,-2.4 -19,-0.1 -20,-0.2 -0.380 69.4 -32.7 -70.3 143.9 22.3 3.8 -5.5 28 28 A G T 3 S- 0 0 0 -22,-1.7 -25,-0.6 1,-0.3 14,-0.2 -0.215 129.2 -9.6 57.4-132.2 22.4 0.3 -4.2 29 29 A A T 3 S+ 0 0 47 13,-2.2 -1,-0.3 12,-0.4 12,-0.2 0.325 103.5 120.8 -83.5 5.6 21.6 -2.4 -6.8 30 30 A R < - 0 0 51 -3,-2.4 2,-0.3 10,-0.2 -4,-0.2 -0.367 44.7-161.3 -71.3 155.0 20.5 0.2 -9.5 31 31 A T E -B 39 0B 55 8,-2.3 8,-2.4 6,-0.1 2,-0.4 -0.869 25.1 -92.0-134.2 164.8 22.3 0.4 -12.8 32 32 A b E -B 38 0B 29 -2,-0.3 6,-0.2 6,-0.2 -9,-0.1 -0.654 39.6-141.8 -87.8 127.9 22.6 2.9 -15.6 33 33 A S > - 0 0 17 4,-2.7 3,-2.0 -2,-0.4 -13,-0.1 -0.332 27.4-104.4 -80.2 166.8 20.2 2.6 -18.5 34 34 A S T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.736 122.4 54.5 -62.5 -23.0 20.8 3.1 -22.2 35 35 A S T 3 S- 0 0 76 2,-0.2 -1,-0.3 -16,-0.0 3,-0.1 0.336 122.9-103.3 -96.0 10.1 19.1 6.5 -21.9 36 36 A G S < S+ 0 0 16 -3,-2.0 -16,-2.0 1,-0.3 2,-0.4 0.800 81.7 119.8 78.1 31.0 21.3 7.7 -19.1 37 37 A F B -A 19 0A 90 -18,-0.3 -4,-2.7 -16,-0.1 -1,-0.3 -0.963 67.3-110.8-120.1 145.7 18.9 7.2 -16.1 38 38 A c E -B 32 0B 11 -20,-2.7 2,-0.3 -2,-0.4 -6,-0.2 -0.449 42.4-172.8 -68.5 145.5 19.4 5.0 -13.1 39 39 A Q E +B 31 0B 105 -8,-2.4 -8,-2.3 -2,-0.1 2,-0.2 -0.979 31.5 38.3-144.8 154.6 17.0 2.0 -13.1 40 40 A G S S- 0 0 52 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.563 89.0 -52.1 104.6-168.5 16.0 -0.8 -10.8 41 41 A T - 0 0 75 -2,-0.2 -12,-0.4 -12,-0.2 3,-0.1 -0.918 36.3-152.4-110.3 126.9 15.5 -1.0 -7.1 42 42 A S - 0 0 12 -2,-0.5 -13,-2.2 1,-0.3 2,-0.3 0.941 68.9 -39.6 -63.7 -47.8 18.3 0.2 -4.8 43 43 A R - 0 0 12 -15,-0.2 -1,-0.3 -14,-0.1 3,-0.0 -0.950 62.3 -95.0-171.9 161.6 17.4 -2.2 -1.9 44 44 A K S S+ 0 0 171 -2,-0.3 2,-0.1 1,-0.2 4,-0.1 -0.980 108.7 26.9-138.1 119.4 14.5 -3.6 0.0 45 45 A P S S- 0 0 90 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.643 95.9-138.9 -73.3 158.8 13.6 -2.1 2.5 46 46 A D S S+ 0 0 94 -2,-0.1 2,-0.2 2,-0.1 8,-0.1 -0.991 93.9 37.0-127.8 121.5 14.8 1.4 1.7 47 47 A P S S- 0 0 93 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 0.565 104.3-137.8 -65.3 158.1 16.0 2.9 3.9 48 48 A G - 0 0 7 5,-0.8 3,-0.1 -2,-0.2 -2,-0.1 -0.321 23.0 -92.6 -76.7 169.4 17.7 -0.3 5.2 49 49 A P - 0 0 87 0, 0.0 4,-0.3 0, 0.0 5,-0.2 -0.355 68.0 -65.7 -68.7 164.2 17.9 -1.2 8.9 50 50 A K S S+ 0 0 69 3,-0.1 27,-0.2 2,-0.1 25,-0.1 -0.309 105.2 67.4 -51.4 137.6 21.1 -0.1 10.6 51 51 A G S > S- 0 0 13 25,-1.0 3,-2.2 3,-0.1 27,-0.1 -0.895 107.9 -31.0 134.5-170.6 23.9 -2.0 9.1 52 52 A P T 3 S+ 0 0 59 0, 0.0 41,-0.2 0, 0.0 -2,-0.1 0.597 132.1 53.0 -62.0 -13.9 25.6 -2.1 5.7 53 53 A T T 3 S+ 0 0 32 -4,-0.3 -5,-0.8 23,-0.1 2,-0.6 0.415 82.5 105.3 -98.1 2.9 22.5 -1.2 3.7 54 54 A Y < - 0 0 20 -3,-2.2 22,-1.9 36,-0.2 2,-0.5 -0.727 56.8-160.6 -85.8 119.6 21.8 1.9 5.8 55 55 A a + 0 0 38 -2,-0.6 2,-0.3 20,-0.2 20,-0.1 -0.896 21.1 156.2-106.5 123.5 22.7 5.1 3.8 56 56 A W - 0 0 104 -2,-0.5 2,-1.0 17,-0.0 19,-0.1 -0.971 37.2-138.1-149.0 130.6 23.2 8.4 5.7 57 57 A D > - 0 0 80 -2,-0.3 3,-1.3 1,-0.2 4,-0.1 -0.754 18.1-174.4 -90.1 98.8 25.2 11.5 4.7 58 58 A E G > S+ 0 0 12 -2,-1.0 8,-1.9 1,-0.3 3,-1.6 0.657 72.4 78.0 -68.9 -17.3 27.0 12.5 7.9 59 59 A A G 3 S+ 0 0 59 1,-0.3 -1,-0.3 6,-0.2 -2,-0.0 0.775 95.1 49.9 -63.2 -24.9 28.3 15.7 6.4 60 60 A K G < S+ 0 0 152 -3,-1.3 -1,-0.3 4,-0.1 -2,-0.2 0.297 79.0 139.7 -96.3 8.4 24.9 17.3 6.9 61 61 A N X - 0 0 10 -3,-1.6 3,-2.1 3,-0.1 7,-0.1 -0.198 58.2-126.9 -64.1 146.0 24.4 16.3 10.5 62 62 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.727 109.7 51.7 -68.6 -24.2 22.8 19.0 12.7 63 63 A G T 3 S- 0 0 59 4,-0.4 5,-0.1 1,-0.4 -2,-0.1 0.447 129.4 -82.0 -84.5 -2.5 25.5 18.9 15.3 64 64 A G S X S- 0 0 23 -3,-2.1 3,-2.2 3,-0.2 -1,-0.4 -0.423 74.7 -29.9 119.3 166.1 28.2 19.3 12.5 65 65 A P T 3 S- 0 0 83 0, 0.0 -6,-0.2 0, 0.0 3,-0.1 -0.251 132.1 -2.7 -55.4 128.5 29.9 16.9 10.1 66 66 A N T 3 S+ 0 0 70 -8,-1.9 20,-2.3 1,-0.2 2,-0.3 0.615 102.4 129.7 66.9 15.8 30.2 13.4 11.6 67 67 A R B < +C 85 0C 84 -3,-2.2 -4,-0.4 -9,-0.4 2,-0.3 -0.775 32.2 173.4 -99.7 148.9 28.6 14.5 14.9 68 68 A d - 0 0 15 16,-2.1 3,-0.1 -2,-0.3 11,-0.0 -0.990 42.2-168.0-153.2 153.9 25.7 12.6 16.4 69 69 A S S S+ 0 0 105 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.417 90.8 24.9-114.1 -11.1 23.3 12.2 19.3 70 70 A N S > S- 0 0 76 14,-0.1 3,-1.6 9,-0.0 -1,-0.3 -0.981 80.9-113.1-148.8 161.1 22.0 8.8 18.0 71 71 A S G > S+ 0 0 42 -2,-0.3 3,-1.5 1,-0.3 -1,-0.0 0.668 107.5 72.6 -73.5 -14.3 23.3 6.1 15.8 72 72 A K G 3 S+ 0 0 136 1,-0.3 -1,-0.3 -22,-0.1 4,-0.1 0.607 90.2 62.7 -74.6 -5.9 20.6 6.7 13.1 73 73 A Q G < S+ 0 0 27 -3,-1.6 2,-0.4 2,-0.1 -1,-0.3 0.253 93.6 83.3 -94.1 11.9 22.7 9.9 12.3 74 74 A e S < S- 0 0 0 -3,-1.5 2,-0.1 4,-0.2 -17,-0.1 -0.921 85.5-109.4-121.8 141.5 25.6 7.6 11.4 75 75 A D S > S- 0 0 36 -2,-0.4 3,-2.4 -19,-0.1 -20,-0.2 -0.379 70.8 -34.2 -70.0 142.5 26.2 5.9 8.0 76 76 A G T 3 S- 0 0 0 -22,-1.9 -25,-1.0 1,-0.3 15,-0.2 -0.216 128.3 -11.0 57.9-130.7 25.9 2.2 7.6 77 77 A A T 3 S+ 0 0 47 13,-1.9 -1,-0.3 12,-0.3 13,-0.2 0.437 102.7 123.5 -83.1 -0.7 26.9 0.1 10.6 78 78 A R < - 0 0 53 -3,-2.4 2,-0.3 -27,-0.1 -4,-0.2 -0.213 43.6-161.3 -64.8 154.4 28.5 3.2 12.3 79 79 A T E -D 87 0D 62 8,-2.1 8,-2.1 6,-0.1 2,-0.6 -0.818 25.2 -91.4-132.6 169.0 27.3 4.1 15.8 80 80 A d E -D 86 0D 32 -2,-0.3 6,-0.2 6,-0.2 -9,-0.1 -0.724 38.3-139.7 -91.6 121.2 27.4 7.1 18.0 81 81 A S > - 0 0 16 4,-2.9 3,-2.1 -2,-0.6 -13,-0.1 -0.279 28.4-105.1 -68.2 163.3 30.4 7.4 20.4 82 82 A S T 3 S+ 0 0 142 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.807 123.9 55.5 -55.8 -31.7 30.1 8.6 24.0 83 83 A S T 3 S- 0 0 75 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.375 123.4-104.0 -87.5 4.9 31.7 11.9 22.8 84 84 A G S < S+ 0 0 13 -3,-2.1 -16,-2.1 1,-0.3 2,-0.4 0.804 78.9 124.3 79.4 33.0 29.1 12.4 20.1 85 85 A F B -C 67 0C 95 -18,-0.3 -4,-2.9 -16,-0.1 -1,-0.3 -0.957 65.4-112.2-119.5 143.4 31.0 11.3 16.9 86 86 A e E -D 80 0D 10 -20,-2.3 2,-0.3 -2,-0.4 -6,-0.2 -0.468 46.8-173.7 -67.1 142.9 30.0 8.7 14.4 87 87 A Q E +D 79 0D 97 -8,-2.1 -8,-2.1 -2,-0.1 2,-0.2 -0.982 27.2 30.1-150.0 153.4 32.4 5.7 14.7 88 88 A G S S- 0 0 57 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.1 -0.482 91.6 -44.5 95.1-171.6 33.4 2.4 13.1 89 89 A T - 0 0 109 -2,-0.2 -12,-0.3 1,-0.1 -2,-0.1 -0.777 37.7-143.8 -93.6 141.2 33.2 1.2 9.6 90 90 A A - 0 0 16 -2,-0.4 -13,-1.9 -13,-0.2 -36,-0.2 0.823 29.9-139.4 -70.4 -31.2 30.0 1.9 7.6 91 91 A G + 0 0 34 1,-0.2 2,-0.1 -15,-0.2 -15,-0.1 0.627 45.7 151.6 83.8 14.0 30.4 -1.5 5.9 92 92 A H - 0 0 49 1,-0.1 -1,-0.2 -41,-0.1 -86,-0.2 -0.428 51.2-104.3 -78.9 151.5 29.4 -0.2 2.4 93 93 A A - 0 0 29 -88,-1.0 -86,-0.4 -41,-0.2 -1,-0.1 -0.452 22.2-132.1 -65.2 146.1 30.6 -1.7 -0.9 94 94 A A 0 0 91 -2,-0.1 -1,-0.1 -88,-0.1 -2,-0.0 0.730 360.0 360.0 -73.3 -23.7 33.2 0.4 -2.7 95 95 A A 0 0 51 -72,-0.0 -1,-0.1 -94,-0.0 -71,-0.1 -0.933 360.0 360.0-149.9 360.0 31.3 0.0 -6.0