==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 01-AUG-07 2QT4 . 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) . 5375.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 45 47.4 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 . 7 7.4 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 9 0, 0.0 23,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0-149.6 25.7 -0.2 -8.1 2 2 A S - 0 0 90 1,-0.1 27,-0.2 22,-0.0 25,-0.1 0.697 360.0 -40.4 -74.0 -26.3 26.5 -3.8 -7.2 3 3 A G S > S- 0 0 10 25,-0.6 3,-2.2 27,-0.1 27,-0.2 -0.978 78.6 -56.3 174.1-177.5 23.8 -4.4 -4.7 4 4 A P T 3 S+ 0 0 57 0, 0.0 44,-0.1 0, 0.0 24,-0.1 0.639 120.3 63.3 -66.9 -15.5 21.8 -3.1 -1.8 5 5 A T T 3 S+ 0 0 48 23,-0.1 88,-1.2 2,-0.1 2,-0.5 0.436 82.3 96.1 -87.5 -1.6 24.8 -2.3 0.5 6 6 A Y < - 0 0 11 -3,-2.2 22,-1.7 86,-0.2 2,-0.5 -0.808 62.9-161.4 -83.0 128.1 26.0 0.3 -2.1 7 7 A a + 0 0 29 -2,-0.5 2,-0.3 86,-0.4 20,-0.1 -0.932 20.3 155.1-118.2 129.0 24.8 3.8 -1.2 8 8 A W - 0 0 103 -2,-0.5 2,-1.0 17,-0.0 19,-0.2 -0.980 38.2-132.8-152.0 132.8 24.7 6.7 -3.6 9 9 A N > - 0 0 88 -2,-0.3 3,-0.9 1,-0.1 -2,-0.0 -0.765 18.6-172.4 -87.0 103.0 22.6 9.8 -3.6 10 10 A E G > + 0 0 15 -2,-1.0 8,-1.9 1,-0.2 3,-1.5 0.626 69.8 82.9 -70.3 -13.7 21.2 10.1 -7.2 11 11 A A G 3 S+ 0 0 52 1,-0.3 -1,-0.2 6,-0.2 8,-0.1 0.824 94.4 43.4 -61.8 -33.7 19.8 13.6 -6.6 12 12 A N G < S+ 0 0 129 -3,-0.9 -1,-0.3 5,-0.1 -2,-0.1 0.165 84.3 137.9 -98.6 13.1 23.1 15.3 -7.3 13 13 A N X - 0 0 10 -3,-1.5 3,-1.9 3,-0.1 7,-0.1 -0.207 65.4 -87.9 -59.9 157.5 24.2 13.3 -10.3 14 14 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.342 116.3 18.2 -58.5 129.2 25.8 14.9 -13.4 15 15 A G T 3 S- 0 0 76 -3,-0.1 5,-0.1 -2,-0.1 -2,-0.1 0.311 131.4 -58.0 85.4 -11.3 23.1 16.1 -15.8 16 16 A G S X S- 0 0 21 -3,-1.9 3,-2.1 3,-0.2 -3,-0.1 -0.597 84.2 -24.1 133.4 171.2 20.4 15.9 -13.1 17 17 A P T 3 S+ 0 0 84 0, 0.0 -6,-0.2 0, 0.0 3,-0.1 -0.287 125.7 2.5 -54.0 133.1 18.6 13.8 -10.6 18 18 A N T 3 S+ 0 0 67 -8,-1.9 20,-2.7 1,-0.2 2,-0.2 0.505 96.9 135.3 71.4 7.5 18.7 10.1 -11.4 19 19 A R B < +A 37 0A 80 -3,-2.1 2,-0.3 -9,-0.4 18,-0.3 -0.615 28.2 169.8 -90.0 148.2 20.9 10.6 -14.5 20 20 A b - 0 0 17 16,-2.2 3,-0.1 -2,-0.2 11,-0.0 -0.995 43.7-170.6-154.2 155.2 23.9 8.4 -15.2 21 21 A S S S+ 0 0 103 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.372 88.7 29.3-116.6 -11.3 26.6 7.2 -17.5 22 22 A N S > S- 0 0 71 14,-0.1 3,-1.9 1,-0.1 -1,-0.2 -0.987 80.7-111.2-148.6 158.8 27.6 4.3 -15.2 23 23 A N G > S+ 0 0 80 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.729 108.9 70.0 -60.2 -24.4 26.1 1.9 -12.6 24 24 A K G 3 S+ 0 0 93 1,-0.3 -1,-0.3 -23,-0.1 4,-0.1 0.635 90.2 62.1 -72.0 -11.3 28.1 3.5 -9.8 25 25 A Q G < S+ 0 0 24 -3,-1.9 2,-0.4 2,-0.1 -1,-0.3 0.292 92.1 82.5 -95.2 13.4 25.9 6.6 -10.1 26 26 A c S < S- 0 0 0 -3,-1.6 -17,-0.1 4,-0.2 6,-0.1 -0.944 85.0-112.2-120.7 137.6 22.9 4.6 -9.1 27 27 A D S > S- 0 0 25 -2,-0.4 3,-2.3 -19,-0.2 -20,-0.2 -0.308 70.4 -31.6 -68.9 143.3 21.8 3.7 -5.6 28 28 A G T 3 S- 0 0 0 -22,-1.7 -25,-0.6 1,-0.3 14,-0.2 -0.231 128.9 -11.0 57.4-132.7 22.0 0.2 -4.3 29 29 A A T 3 S+ 0 0 44 13,-2.1 -1,-0.3 12,-0.4 12,-0.2 0.270 103.0 122.3 -84.0 7.4 21.3 -2.5 -6.9 30 30 A R < - 0 0 48 -3,-2.3 2,-0.3 10,-0.2 -4,-0.2 -0.352 44.8-159.3 -72.0 155.5 20.1 0.0 -9.5 31 31 A T E -B 39 0B 56 8,-2.3 8,-2.4 -6,-0.1 2,-0.4 -0.879 23.4 -94.5-134.1 165.7 21.9 0.2 -12.8 32 32 A b E -B 38 0B 29 -2,-0.3 6,-0.2 6,-0.2 -9,-0.1 -0.669 38.1-142.1 -89.2 129.9 22.2 2.7 -15.6 33 33 A S > - 0 0 18 4,-2.9 3,-1.9 -2,-0.4 -13,-0.1 -0.303 27.6-105.5 -84.4 166.0 19.8 2.5 -18.6 34 34 A S T 3 S+ 0 0 138 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.703 121.6 57.3 -64.4 -17.5 20.5 3.0 -22.2 35 35 A S T 3 S- 0 0 73 2,-0.2 -1,-0.3 -16,-0.0 3,-0.1 0.345 122.0-104.6 -97.2 11.7 18.7 6.3 -21.9 36 36 A G S < S+ 0 0 17 -3,-1.9 -16,-2.2 1,-0.3 2,-0.4 0.763 82.1 117.9 75.9 28.1 21.0 7.6 -19.1 37 37 A F B -A 19 0A 88 -18,-0.3 -4,-2.9 -16,-0.1 -1,-0.3 -0.944 67.6-111.8-120.0 145.8 18.7 7.1 -16.2 38 38 A c E -B 32 0B 11 -20,-2.7 2,-0.3 -2,-0.4 -6,-0.2 -0.441 42.2-175.3 -67.1 148.8 19.1 4.9 -13.2 39 39 A Q E +B 31 0B 103 -8,-2.4 -8,-2.3 -2,-0.1 2,-0.2 -0.975 29.1 40.3-149.1 158.3 16.7 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 -0.522 88.7 -49.0 102.3-170.5 15.6 -0.9 -10.9 41 41 A T - 0 0 81 -12,-0.2 -12,-0.4 -2,-0.2 3,-0.1 -0.912 37.2-155.9-106.2 123.6 15.1 -1.3 -7.2 42 42 A S - 0 0 13 -2,-0.5 -13,-2.1 1,-0.3 2,-0.3 0.928 68.7 -40.8 -65.0 -46.0 17.9 -0.1 -4.9 43 43 A R - 0 0 13 -15,-0.2 -1,-0.3 -14,-0.1 3,-0.1 -0.945 62.8 -94.7-172.7 162.7 17.1 -2.4 -2.0 44 44 A K S S+ 0 0 178 -2,-0.3 2,-0.1 1,-0.3 4,-0.1 -0.977 108.3 29.0-139.4 120.1 14.1 -3.7 -0.1 45 45 A P S S- 0 0 87 0, 0.0 -1,-0.3 0, 0.0 8,-0.0 0.617 95.5-139.0 -75.9 161.0 13.2 -2.2 2.3 46 46 A D S S+ 0 0 94 -2,-0.1 2,-0.2 2,-0.1 8,-0.1 -0.993 92.7 36.2-130.5 123.1 14.4 1.3 1.5 47 47 A P S S- 0 0 89 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 0.606 104.2-135.8 -64.6 157.2 15.6 2.8 3.6 48 48 A G - 0 0 8 5,-0.9 3,-0.1 -2,-0.2 -2,-0.1 -0.311 22.2 -94.1 -72.4 165.9 17.3 -0.3 5.0 49 49 A P - 0 0 85 0, 0.0 4,-0.4 0, 0.0 5,-0.2 -0.366 67.6 -65.2 -67.9 164.1 17.5 -1.2 8.7 50 50 A K S S+ 0 0 80 3,-0.1 27,-0.2 2,-0.1 25,-0.1 -0.288 106.4 67.8 -54.2 135.8 20.6 -0.0 10.5 51 51 A G S > S- 0 0 12 25,-1.0 3,-2.1 3,-0.1 27,-0.1 -0.898 108.2 -32.7 135.0-171.6 23.4 -2.0 9.0 52 52 A P T 3 S+ 0 0 59 0, 0.0 41,-0.2 0, 0.0 -2,-0.1 0.565 131.1 53.7 -62.3 -16.4 25.1 -2.1 5.6 53 53 A T T 3 S+ 0 0 33 -4,-0.4 -5,-0.9 23,-0.1 2,-0.6 0.389 82.8 104.4 -98.2 6.3 22.0 -1.2 3.6 54 54 A Y < - 0 0 29 -3,-2.1 22,-1.9 36,-0.2 2,-0.5 -0.764 56.4-161.5 -89.0 119.2 21.3 2.0 5.6 55 55 A a + 0 0 40 -2,-0.6 2,-0.3 20,-0.2 20,-0.1 -0.903 20.5 156.2-107.8 121.1 22.2 5.1 3.6 56 56 A W - 0 0 103 -2,-0.5 2,-1.0 -49,-0.0 19,-0.2 -0.977 36.9-137.2-146.5 130.2 22.7 8.4 5.4 57 57 A D > - 0 0 82 -2,-0.3 3,-1.3 1,-0.2 -2,-0.0 -0.746 16.0-172.0 -89.1 102.9 24.7 11.5 4.5 58 58 A E G > S+ 0 0 11 -2,-1.0 8,-2.0 1,-0.3 3,-1.5 0.606 71.9 82.1 -70.7 -12.3 26.4 12.5 7.7 59 59 A A G 3 S+ 0 0 44 1,-0.3 -1,-0.3 6,-0.2 -2,-0.0 0.792 93.3 48.2 -62.0 -27.6 27.7 15.8 6.1 60 60 A K G < S+ 0 0 165 -3,-1.3 -1,-0.3 4,-0.1 -2,-0.2 0.285 85.2 133.5 -98.5 10.9 24.3 17.4 6.7 61 61 A N X - 0 0 10 -3,-1.5 3,-1.6 1,-0.1 2,-0.1 -0.203 65.4 -95.4 -65.6 152.6 23.9 16.4 10.4 62 62 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.390 114.1 24.4 -53.7 128.4 22.8 18.7 13.3 63 63 A G T 3 S- 0 0 77 -2,-0.1 5,-0.1 -3,-0.1 -2,-0.1 0.216 131.8 -64.9 89.5 -16.0 25.9 20.1 15.0 64 64 A G S X S- 0 0 22 -3,-1.6 3,-2.0 3,-0.2 -3,-0.1 -0.539 84.3 -22.0 127.7 169.5 28.0 19.6 11.9 65 65 A P T 3 S+ 0 0 81 0, 0.0 -6,-0.2 0, 0.0 3,-0.1 -0.187 126.5 2.3 -54.3 133.2 29.4 16.9 9.7 66 66 A N T 3 S+ 0 0 72 -8,-2.0 20,-2.4 1,-0.2 2,-0.3 0.581 98.3 128.8 71.0 9.4 29.6 13.5 11.3 67 67 A R B < +C 85 0C 85 -3,-2.0 2,-0.3 -9,-0.4 -1,-0.2 -0.690 31.8 171.3 -94.2 154.6 28.0 14.6 14.6 68 68 A d - 0 0 13 16,-2.2 3,-0.1 -2,-0.3 11,-0.0 -0.996 43.1-166.3-157.7 152.5 25.1 12.8 16.2 69 69 A S S S+ 0 0 105 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.394 92.4 25.1-112.4 -10.3 22.9 12.4 19.2 70 70 A N S > S- 0 0 55 14,-0.1 3,-1.5 9,-0.0 -1,-0.3 -0.979 80.6-114.0-148.1 159.3 21.5 9.0 17.9 71 71 A S G > S+ 0 0 41 -2,-0.3 3,-1.6 1,-0.3 -1,-0.0 0.651 106.7 74.1 -70.8 -15.1 22.7 6.2 15.6 72 72 A K G 3 S+ 0 0 140 1,-0.3 -1,-0.3 -22,-0.1 4,-0.1 0.669 90.6 61.7 -69.3 -13.8 20.1 6.9 12.9 73 73 A Q G < S+ 0 0 25 -3,-1.5 2,-0.4 2,-0.1 -1,-0.3 0.261 93.9 83.5 -90.3 9.7 22.2 10.0 12.1 74 74 A e S < S- 0 0 0 -3,-1.6 -17,-0.1 4,-0.2 6,-0.1 -0.923 84.5-109.7-121.6 142.9 25.1 7.7 11.2 75 75 A D S > S- 0 0 37 -2,-0.4 3,-2.2 -19,-0.2 -20,-0.2 -0.314 71.3 -32.9 -72.5 140.4 25.7 6.0 7.8 76 76 A G T 3 S- 0 0 0 -22,-1.9 -25,-1.0 1,-0.3 15,-0.2 -0.219 128.3 -11.6 62.3-137.8 25.4 2.2 7.5 77 77 A A T 3 S+ 0 0 45 13,-1.9 -1,-0.3 12,-0.3 13,-0.2 0.460 102.5 126.0 -75.2 -1.5 26.3 0.2 10.5 78 78 A R < - 0 0 50 -3,-2.2 2,-0.3 -27,-0.1 -4,-0.2 -0.175 42.5-161.2 -63.0 149.7 27.9 3.3 12.2 79 79 A T E -D 87 0D 62 8,-1.9 8,-2.2 6,-0.1 2,-0.6 -0.791 24.7 -95.1-127.4 169.3 26.7 4.2 15.7 80 80 A d E -D 86 0D 29 -2,-0.3 6,-0.2 6,-0.2 -9,-0.1 -0.751 36.3-139.2 -90.9 120.8 26.8 7.3 17.8 81 81 A S > - 0 0 15 4,-2.9 3,-2.1 -2,-0.6 -13,-0.1 -0.308 28.8-106.0 -66.5 162.3 29.7 7.5 20.3 82 82 A S T 3 S+ 0 0 138 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.771 123.8 58.0 -57.8 -26.3 29.2 8.9 23.9 83 83 A S T 3 S- 0 0 74 2,-0.1 -1,-0.3 -16,-0.0 -15,-0.1 0.351 123.8-104.4 -87.3 4.6 31.0 12.0 22.6 84 84 A G S < S+ 0 0 13 -3,-2.1 -16,-2.2 1,-0.3 2,-0.4 0.795 78.7 125.3 77.0 35.3 28.4 12.5 19.8 85 85 A F B -C 67 0C 95 -18,-0.2 -4,-2.9 -16,-0.1 -1,-0.3 -0.967 64.0-115.5-119.7 140.2 30.4 11.4 16.8 86 86 A e E -D 80 0D 10 -20,-2.4 2,-0.3 -2,-0.4 -6,-0.2 -0.471 45.9-175.5 -68.3 142.5 29.4 8.7 14.3 87 87 A Q E +D 79 0D 97 -8,-2.2 -8,-1.9 -2,-0.1 2,-0.2 -0.982 26.7 31.2-148.0 158.1 31.8 5.8 14.6 88 88 A G S S- 0 0 57 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.1 -0.445 91.8 -44.5 89.8-175.4 32.8 2.5 13.1 89 89 A T - 0 0 114 -2,-0.2 -12,-0.3 1,-0.1 -2,-0.1 -0.727 37.0-143.0 -87.3 144.4 32.6 1.3 9.5 90 90 A A - 0 0 16 -2,-0.3 -13,-1.9 -13,-0.2 -36,-0.2 0.818 31.6-138.3 -71.5 -29.7 29.4 2.0 7.5 91 91 A G + 0 0 33 1,-0.2 2,-0.1 -15,-0.2 -15,-0.1 0.646 46.5 152.0 82.1 15.5 29.9 -1.4 5.9 92 92 A H - 0 0 47 1,-0.1 -86,-0.2 -41,-0.1 -1,-0.2 -0.452 50.9-105.0 -80.1 152.3 28.9 -0.3 2.4 93 93 A A - 0 0 29 -88,-1.2 -86,-0.4 -41,-0.2 -1,-0.1 -0.444 22.2-134.0 -63.8 146.9 30.1 -1.8 -0.8 94 94 A A 0 0 88 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.664 360.0 360.0 -78.2 -16.7 32.7 0.3 -2.6 95 95 A A 0 0 49 -72,-0.0 -1,-0.1 -94,-0.0 -71,-0.1 -0.940 360.0 360.0-155.7 360.0 30.9 -0.1 -5.9