==== 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 18-OCT-06 2ISM . COMPND 2 MOLECULE: PUTATIVE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.JEYAKANTHAN,S.P.KANAUJIA,C.VASUKI RANJANI,K.SEKAR,A.EBIHAR . 660 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26635.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 418 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 240 36.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 66 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 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 PARALLEL BRIDGES PER LADDER . 3 4 5 11 9 2 3 1 0 2 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 8 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 20 A G 0 0 97 0, 0.0 2,-0.1 0, 0.0 285,-0.1 0.000 360.0 360.0 360.0 146.9 14.8 46.5 48.3 2 21 A L - 0 0 28 284,-0.4 2,-0.4 326,-0.0 325,-0.0 -0.442 360.0-143.0 -82.3 157.0 15.3 50.2 48.9 3 22 A R - 0 0 182 -2,-0.1 325,-3.1 284,-0.0 2,-0.2 -0.985 15.8-149.9-123.8 131.5 14.1 52.1 52.0 4 23 A V E +A 327 0A 53 -2,-0.4 2,-0.3 323,-0.2 323,-0.2 -0.670 17.1 175.6-106.0 155.6 12.8 55.6 51.8 5 24 A E E -A 326 0A 102 321,-1.2 321,-2.9 -2,-0.2 2,-0.3 -0.967 33.3-113.3-152.5 140.0 12.7 58.6 54.1 6 25 A E E -A 325 0A 96 -2,-0.3 319,-0.2 319,-0.2 3,-0.1 -0.596 23.2-175.3 -80.4 136.5 11.4 62.1 53.5 7 26 A V E - 0 0 22 317,-3.3 2,-0.3 1,-0.4 318,-0.2 0.869 68.0 -23.6 -93.8 -49.7 13.9 64.9 53.4 8 27 A V E -A 324 0A 16 316,-1.1 316,-2.7 312,-0.0 -1,-0.4 -0.976 61.1-171.8-161.0 153.1 11.6 67.9 53.0 9 28 A G + 0 0 17 -2,-0.3 312,-0.2 314,-0.3 313,-0.1 -0.620 52.9 79.8-133.9-165.5 8.1 68.6 51.7 10 29 A G + 0 0 42 310,-1.6 311,-0.2 311,-0.8 312,-0.2 0.648 67.7 141.8 73.6 15.6 5.7 71.4 51.0 11 30 A L - 0 0 0 311,-0.8 2,-0.7 310,-0.4 -1,-0.2 -0.463 51.7-130.2 -88.3 161.0 7.5 72.1 47.6 12 31 A E S S- 0 0 67 1,-0.2 18,-0.4 -2,-0.1 3,-0.2 -0.875 77.9 -36.3-116.5 99.5 5.9 73.0 44.3 13 32 A V - 0 0 2 -2,-0.7 17,-2.1 1,-0.2 2,-1.0 0.969 67.2-151.1 53.5 65.1 7.1 70.8 41.5 14 33 A P E +D 29 0B 0 0, 0.0 281,-0.3 0, 0.0 15,-0.3 -0.550 20.0 179.2 -68.1 103.1 10.7 70.3 42.6 15 34 A W E + 0 0 0 13,-2.6 2,-0.3 -2,-1.0 14,-0.1 0.791 55.4 5.8 -80.3 -31.9 12.2 69.8 39.1 16 35 A A E -D 28 0B 1 12,-0.8 12,-2.5 44,-0.1 2,-0.4 -0.995 58.4-143.4-154.6 155.3 15.9 69.4 39.8 17 36 A L E -D 27 0B 1 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.936 7.5-169.2-122.9 144.4 18.3 69.0 42.7 18 37 A A E -D 26 0B 7 8,-2.1 8,-3.3 -2,-0.4 2,-0.6 -0.998 16.9-142.3-133.0 126.2 21.9 70.3 43.0 19 38 A F E -D 25 0B 35 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.812 13.2-140.4 -95.7 117.8 24.1 69.1 45.9 20 39 A L > - 0 0 6 4,-1.3 3,-2.0 -2,-0.6 -2,-0.0 -0.574 13.5-131.2 -76.1 133.0 26.4 71.8 47.4 21 40 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.783 107.2 59.3 -53.8 -29.4 29.9 70.5 48.3 22 41 A D T 3 S- 0 0 94 1,-0.0 -2,-0.0 0, 0.0 -3,-0.0 0.698 130.0 -90.9 -74.3 -19.8 29.6 72.1 51.7 23 42 A G S < S+ 0 0 63 -3,-2.0 16,-0.1 1,-0.2 -3,-0.0 0.100 87.3 117.5 133.4 -24.2 26.5 70.0 52.5 24 43 A G - 0 0 2 -5,-0.1 -4,-1.3 14,-0.1 2,-0.3 0.127 50.3-139.1 -64.6-175.5 23.5 72.1 51.3 25 44 A M E -DE 19 37B 14 12,-0.6 12,-2.7 -6,-0.2 2,-0.4 -0.944 3.3-150.0-152.4 125.0 21.0 71.3 48.6 26 45 A L E -DE 18 36B 0 -8,-3.3 -8,-2.1 -2,-0.3 2,-0.5 -0.810 13.4-164.1 -97.5 138.6 19.5 73.5 46.0 27 46 A I E -DE 17 35B 0 8,-2.6 8,-3.3 -2,-0.4 2,-0.6 -0.977 10.2-146.9-127.8 120.9 16.0 72.7 44.8 28 47 A A E -DE 16 34B 0 -12,-2.5 -13,-2.6 -2,-0.5 -12,-0.8 -0.764 12.0-162.2 -88.3 120.2 14.5 74.2 41.6 29 48 A E E >> -DE 14 33B 0 4,-3.1 3,-2.8 -2,-0.6 4,-1.2 -0.905 21.4-131.4-102.0 125.1 10.7 74.7 41.9 30 49 A R T 34 S+ 0 0 28 -17,-2.1 28,-2.7 -2,-0.5 -17,-0.1 0.778 101.0 70.5 -46.9 -36.5 9.0 75.1 38.5 31 50 A P T 34 S- 0 0 24 0, 0.0 -1,-0.3 0, 0.0 19,-0.3 0.653 127.6 -87.8 -60.0 -10.7 7.1 78.2 39.6 32 51 A G T <4 S+ 0 0 1 -3,-2.8 16,-3.2 1,-0.3 2,-0.4 0.642 87.6 121.1 116.5 17.8 10.4 80.0 39.5 33 52 A R E < -EF 29 47B 51 -4,-1.2 -4,-3.1 14,-0.2 2,-0.6 -0.941 44.4-155.4-116.9 134.6 12.0 79.6 43.0 34 53 A I E -EF 28 46B 0 12,-3.1 11,-2.4 -2,-0.4 12,-1.9 -0.938 23.7-159.1-103.8 120.1 15.4 78.0 43.7 35 54 A R E -EF 27 44B 57 -8,-3.3 -8,-2.6 -2,-0.6 2,-0.5 -0.670 10.6-145.8-100.4 156.1 15.3 76.8 47.3 36 55 A L E -EF 26 43B 11 7,-3.1 7,-2.2 -2,-0.3 2,-0.6 -0.988 9.8-170.3-120.3 124.0 18.1 76.1 49.7 37 56 A F E +EF 25 42B 36 -12,-2.7 -12,-0.6 -2,-0.5 2,-0.4 -0.946 23.7 155.2-116.2 107.2 17.7 73.2 52.1 38 57 A R E > - F 0 41B 104 3,-2.0 3,-2.6 -2,-0.6 -14,-0.1 -0.998 61.6 -5.5-137.4 140.8 20.5 73.3 54.6 39 58 A E T 3 S- 0 0 131 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.887 130.1 -53.1 42.6 50.6 20.9 72.1 58.2 40 59 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.462 114.0 114.9 70.8 3.7 17.2 71.1 58.2 41 60 A R E < -F 38 0B 146 -3,-2.6 -3,-2.0 -33,-0.0 2,-0.5 -0.884 53.3-147.5-113.8 139.3 16.0 74.5 57.1 42 61 A L E +F 37 0B 54 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.864 30.5 153.2-102.9 129.6 14.2 75.5 53.9 43 62 A S E -F 36 0B 44 -7,-2.2 -7,-3.1 -2,-0.5 2,-0.7 -0.939 47.4 -93.1-147.7 168.3 14.7 79.0 52.4 44 63 A T E +F 35 0B 45 -2,-0.3 -9,-0.3 -9,-0.2 3,-0.1 -0.790 29.8 179.4 -92.8 117.5 14.7 80.8 49.1 45 64 A Y E S- 0 0 0 -11,-2.4 53,-2.0 -2,-0.7 2,-0.3 0.838 71.9 -13.9 -80.6 -38.7 18.1 81.0 47.4 46 65 A A E -F 34 0B 3 -12,-1.9 -12,-3.1 51,-0.2 2,-0.5 -0.976 53.7-144.9-163.6 151.2 16.8 82.9 44.4 47 66 A E E -F 33 0B 145 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.981 23.2-168.2-125.5 117.7 13.5 83.9 42.8 48 67 A L - 0 0 15 -16,-3.2 2,-0.4 -2,-0.5 10,-0.1 -0.841 26.1-117.0-110.7 145.0 13.5 84.0 39.0 49 68 A S + 0 0 77 -2,-0.4 2,-0.3 8,-0.0 -17,-0.1 -0.644 49.6 165.1 -75.1 125.5 11.0 85.5 36.6 50 69 A V - 0 0 19 -2,-0.4 2,-1.0 -19,-0.3 29,-0.3 -0.957 46.5-115.0-142.5 162.2 9.6 82.6 34.5 51 70 A Y - 0 0 31 27,-2.8 2,-1.1 -2,-0.3 27,-0.1 -0.829 36.7-174.8 -96.7 95.8 6.8 81.7 32.2 52 71 A H + 0 0 115 -2,-1.0 2,-0.3 -21,-0.2 5,-0.2 -0.644 33.3 116.6-101.2 81.1 5.1 79.0 34.2 53 72 A R S > S- 0 0 163 -2,-1.1 3,-2.4 61,-0.1 2,-0.1 -0.955 75.8 -9.4-135.8 152.4 2.3 77.6 32.0 54 73 A G T 3 S- 0 0 39 -2,-0.3 61,-0.2 1,-0.3 60,-0.2 -0.395 132.6 -27.2 60.2-126.6 1.9 74.0 30.7 55 74 A E T 3 S+ 0 0 17 59,-1.8 -1,-0.3 58,-0.2 60,-0.2 0.254 117.3 102.2-104.2 11.3 5.2 72.2 31.4 56 75 A S < + 0 0 0 -3,-2.4 2,-0.4 58,-0.2 -6,-0.1 -0.339 35.7 77.9 -95.2 172.8 7.3 75.3 31.4 57 76 A G S S- 0 0 0 -5,-0.2 21,-2.0 -2,-0.1 2,-0.9 -0.997 93.4 -2.0 134.4-138.5 8.9 77.6 34.0 58 77 A L E S+G 77 0C 0 -28,-2.7 -43,-0.3 -2,-0.4 -26,-0.2 -0.794 76.8 152.8 -92.9 105.0 12.1 77.0 36.0 59 78 A L E + 0 0 0 17,-2.1 2,-0.3 -2,-0.9 -1,-0.1 0.946 38.7 32.5-101.1 -55.2 13.4 73.5 35.1 60 79 A G E - 0 0 0 16,-0.5 16,-2.2 60,-0.1 2,-0.3 -0.777 55.4-170.1-109.5 155.7 16.9 72.1 35.1 61 80 A L E +G 75 0C 5 60,-0.4 2,-0.3 -2,-0.3 14,-0.2 -0.993 10.6 163.4-148.1 137.3 19.6 73.1 37.6 62 81 A A E -G 74 0C 11 12,-2.4 12,-3.3 -2,-0.3 2,-0.1 -0.936 30.2-126.8-160.7 133.3 23.3 72.4 37.8 63 82 A L E -G 73 0C 28 -2,-0.3 10,-0.2 10,-0.2 60,-0.2 -0.465 43.2 -93.3 -78.1 150.2 26.4 73.7 39.6 64 83 A H > - 0 0 6 8,-2.3 3,-1.8 6,-0.2 -1,-0.1 -0.265 38.8-113.4 -56.7 147.7 29.4 74.8 37.6 65 84 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.816 117.7 40.5 -55.7 -31.4 31.9 71.9 37.4 66 85 A R T >> S- 0 0 140 4,-0.1 4,-1.7 2,-0.1 3,-0.5 -0.049 97.7-174.6-110.1 31.8 34.4 73.8 39.6 67 86 A F T <4 + 0 0 21 -3,-1.8 -4,-0.0 1,-0.3 6,-0.0 -0.401 57.9 15.9 -65.9 143.5 31.9 75.3 42.1 68 87 A P T 34 S+ 0 0 48 0, 0.0 -1,-0.3 0, 0.0 25,-0.1 -0.991 123.2 55.5 -93.2 -4.5 32.3 77.2 44.3 69 88 A Q T <4 S+ 0 0 156 -3,-0.5 -2,-0.2 1,-0.3 -3,-0.0 0.870 119.2 41.3 -52.6 -36.9 35.7 78.5 43.2 70 89 A E S < S- 0 0 63 -4,-1.7 2,-1.4 2,-0.1 -1,-0.3 -0.916 99.8-153.4-108.6 91.9 33.8 79.2 40.0 71 90 A P + 0 0 27 0, 0.0 22,-0.5 0, 0.0 2,-0.3 -0.578 44.3 127.4 -72.5 89.7 30.7 80.5 41.9 72 91 A Y E - H 0 92C 28 -2,-1.4 -8,-2.3 20,-0.2 2,-0.4 -0.984 41.3-166.0-154.1 138.1 28.1 79.8 39.4 73 92 A V E -GH 63 91C 0 18,-2.2 18,-2.9 -2,-0.3 2,-0.3 -0.994 17.7-147.7-124.6 126.2 24.7 77.9 39.3 74 93 A Y E -GH 62 90C 0 -12,-3.3 -12,-2.4 -2,-0.4 2,-0.3 -0.752 18.0-179.4 -95.8 141.8 23.2 77.1 35.9 75 94 A A E -GH 61 89C 0 14,-2.5 14,-2.9 -2,-0.3 2,-0.5 -1.000 21.7-142.6-143.1 142.0 19.4 77.0 35.4 76 95 A Y E + H 0 88C 0 -16,-2.2 -17,-2.1 -2,-0.3 -16,-0.5 -0.886 34.8 165.2-102.0 130.9 17.1 76.3 32.5 77 96 A R E -GH 58 87C 28 10,-2.7 10,-2.0 -2,-0.5 2,-0.5 -0.999 39.2-127.7-150.5 153.0 14.0 78.4 32.3 78 97 A T E - 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