==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR-BINDING PROTEIN 18-OCT-04 1W9T . COMPND 2 MOLECULE: BH0236 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR A.B.BORASTON,A.L.VAN BUEREN . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 44.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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-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 . 22 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 5.2 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 . 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 . 4 2 2 2 0 4 4 2 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 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 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 7 A D 0 0 151 0, 0.0 2,-0.4 0, 0.0 45,-0.0 0.000 360.0 360.0 360.0 6.0 7.0 -16.6 -0.9 2 8 A L - 0 0 98 46,-0.1 2,-0.3 47,-0.0 46,-0.2 -0.770 360.0-133.8 -89.8 147.5 3.3 -15.9 -0.4 3 9 A K B -a 48 0A 45 44,-2.6 46,-2.5 -2,-0.4 6,-0.1 -0.771 7.9-131.9 -98.1 147.9 2.3 -12.8 1.5 4 10 A N > - 0 0 86 -2,-0.3 3,-1.3 44,-0.2 46,-0.1 -0.858 13.9-168.3 -99.1 107.6 -0.3 -12.7 4.2 5 11 A P T 3 S+ 0 0 0 0, 0.0 127,-3.2 0, 0.0 4,-0.1 0.640 83.1 66.2 -71.2 -12.4 -2.7 -9.8 3.7 6 12 A Y T 3 S+ 0 0 39 125,-0.2 2,-0.3 2,-0.1 128,-0.1 0.335 100.0 54.3 -97.4 6.3 -4.2 -10.3 7.1 7 13 A E S < S- 0 0 128 -3,-1.3 125,-0.3 123,-0.1 123,-0.1 -0.894 110.0 -73.1-124.1 161.5 -1.0 -9.3 8.9 8 14 A R - 0 0 147 -2,-0.3 2,-0.5 123,-0.1 123,-0.2 -0.262 40.4-155.8 -59.6 138.8 0.9 -6.0 8.2 9 15 A I E -G 130 0B 13 121,-3.0 121,-1.9 -4,-0.1 2,-0.3 -0.986 20.3-127.6-111.7 122.0 2.7 -5.8 5.0 10 16 A Q E > -G 129 0B 66 -2,-0.5 3,-1.7 119,-0.2 119,-0.3 -0.577 10.4-138.4 -74.9 131.3 5.6 -3.3 5.2 11 17 A A T 3 S+ 0 0 0 117,-2.3 3,-0.2 -2,-0.3 118,-0.2 0.772 100.1 59.1 -63.1 -31.9 5.3 -0.9 2.3 12 18 A E T 3 S+ 0 0 53 116,-0.5 2,-0.8 20,-0.3 -1,-0.3 0.606 87.3 78.8 -72.4 -14.2 9.1 -0.9 1.6 13 19 A A < + 0 0 54 -3,-1.7 -1,-0.2 2,-0.0 2,-0.1 -0.249 68.3 143.8 -88.4 45.5 8.9 -4.7 1.0 14 20 A Y - 0 0 69 -2,-0.8 31,-0.2 -3,-0.2 3,-0.1 -0.468 50.0-145.2 -84.6 161.6 7.6 -4.2 -2.5 15 21 A D S S- 0 0 70 29,-3.2 2,-0.3 1,-0.4 30,-0.2 0.654 83.5 -2.1 -99.2 -21.2 8.4 -6.4 -5.5 16 22 A A E -B 44 0A 33 28,-1.2 28,-2.7 2,-0.0 -1,-0.4 -0.964 69.4-178.6-157.9 162.3 8.3 -3.5 -8.1 17 23 A M E -B 43 0A 39 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.966 18.7-144.0-153.8 168.6 7.5 0.1 -8.0 18 24 A S E S-B 42 0A 2 24,-2.6 24,-1.9 -2,-0.3 195,-0.0 -0.932 78.9 -6.0-138.5 121.4 7.2 3.3 -10.0 19 25 A G S S+ 0 0 6 -2,-0.3 2,-0.2 1,-0.2 22,-0.1 0.332 98.5 107.1 94.7 -6.8 8.2 6.7 -8.8 20 26 A I - 0 0 8 22,-0.3 2,-0.3 17,-0.1 -1,-0.2 -0.537 43.1-160.6-116.9 174.0 9.1 6.2 -5.2 21 27 A Q E -H 35 0B 88 14,-1.8 14,-2.6 -2,-0.2 2,-0.3 -0.919 19.2-126.3-143.6 158.8 12.0 6.0 -2.7 22 28 A T E +H 34 0B 66 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.786 25.9 170.5-111.1 157.4 12.5 4.6 0.8 23 29 A E E -H 33 0B 56 10,-2.2 10,-2.9 -2,-0.3 2,-0.2 -0.970 42.3 -84.5-154.7 162.0 13.7 6.2 4.0 24 30 A G E -H 32 0B 45 -2,-0.3 2,-0.3 8,-0.2 8,-0.3 -0.531 48.6-132.3 -70.4 137.9 14.0 5.3 7.7 25 31 A T - 0 0 10 6,-2.5 6,-0.1 -2,-0.2 69,-0.1 -0.712 16.2-155.1 -96.5 147.4 10.8 6.1 9.6 26 32 A D + 0 0 132 -2,-0.3 -1,-0.1 4,-0.1 3,-0.1 0.222 60.9 120.9 -94.8 8.0 10.3 7.9 12.9 27 33 A D S > S- 0 0 10 1,-0.1 3,-2.1 2,-0.1 -2,-0.1 -0.389 82.8 -85.2 -65.8 154.1 7.0 6.0 13.5 28 34 A D T 3 S+ 0 0 130 1,-0.3 -1,-0.1 68,-0.0 -2,-0.0 -0.319 121.3 37.2 -62.4 138.6 6.9 4.0 16.6 29 35 A G T 3 S- 0 0 84 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.283 102.5-134.4 98.1 -12.2 8.5 0.6 15.9 30 36 A G < + 0 0 34 -3,-2.1 2,-0.3 1,-0.1 -4,-0.1 -0.183 56.2 118.7 59.4-149.6 11.1 2.2 13.7 31 37 A G - 0 0 48 -6,-0.1 -6,-2.5 -5,-0.0 2,-0.3 -0.672 65.0 -55.6 86.9-148.2 11.8 0.5 10.3 32 38 A D E -H 24 0B 69 -8,-0.3 2,-0.3 -2,-0.3 -20,-0.3 -0.861 34.9-158.1-132.5 162.8 11.2 2.2 7.0 33 39 A N E -H 23 0B 0 -10,-2.9 -10,-2.2 -2,-0.3 2,-0.3 -0.937 22.9-120.1-132.3 159.2 8.6 3.9 4.9 34 40 A I E +HI 22 127B 0 93,-2.4 93,-1.8 -2,-0.3 2,-0.2 -0.679 45.4 153.7 -87.7 153.2 8.1 4.6 1.2 35 41 A G E +H 21 0B 0 -14,-2.6 -14,-1.8 -2,-0.3 3,-0.1 -0.829 35.5 84.4-160.7-164.2 7.9 8.3 0.2 36 42 A W + 0 0 83 -2,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.947 67.6 175.4 50.9 49.0 8.5 10.8 -2.5 37 43 A I + 0 0 0 88,-0.6 87,-3.1 -3,-0.1 88,-0.3 -0.773 8.7 176.7 -93.9 126.2 5.0 9.8 -3.7 38 44 A N > - 0 0 3 -2,-0.5 3,-2.5 85,-0.2 78,-0.2 -0.870 43.4 -70.2-125.5 163.0 3.4 11.6 -6.6 39 45 A D T 3 S+ 0 0 42 80,-0.5 177,-0.5 83,-0.3 78,-0.3 -0.313 121.3 19.3 -52.4 120.4 0.2 11.3 -8.6 40 46 A G T 3 S+ 0 0 20 76,-3.5 -1,-0.3 1,-0.4 77,-0.1 0.315 92.9 128.4 100.3 -9.0 0.3 8.1 -10.7 41 47 A D < + 0 0 0 -3,-2.5 75,-2.7 75,-0.3 -1,-0.4 -0.296 34.2 180.0 -72.4 162.7 3.1 6.3 -8.7 42 48 A W E -BC 18 115A 31 -24,-1.9 -24,-2.6 73,-0.2 2,-0.3 -0.995 25.5-145.0-158.6 165.3 2.6 2.8 -7.5 43 49 A V E -BC 17 114A 0 71,-1.9 71,-2.4 -2,-0.3 2,-0.4 -0.981 17.3-148.5-134.8 144.6 4.0 -0.2 -5.6 44 50 A K E -BC 16 113A 33 -28,-2.7 -29,-3.2 -2,-0.3 -28,-1.2 -0.961 8.1-169.1-118.7 133.6 3.5 -3.8 -6.3 45 51 A Y E - C 0 112A 0 67,-2.9 67,-2.7 -2,-0.4 3,-0.5 -0.983 21.6-147.8-122.9 108.2 3.3 -6.7 -3.8 46 52 A E E + 0 0 65 -2,-0.5 65,-0.2 65,-0.2 -43,-0.2 -0.481 67.2 15.1 -78.4 150.8 3.4 -10.1 -5.6 47 53 A R E + 0 0 107 1,-0.2 -44,-2.6 -2,-0.2 2,-0.7 0.824 69.2 172.1 59.6 45.5 1.7 -13.3 -4.4 48 54 A V E -aC 3 110A 0 62,-2.9 62,-2.3 -3,-0.5 2,-0.6 -0.723 19.0-154.1 -84.2 113.7 -0.7 -11.9 -1.8 49 55 A H E - C 0 109A 75 -46,-2.5 2,-0.7 -2,-0.7 60,-0.2 -0.814 10.8-165.0-101.9 119.0 -2.9 -14.7 -0.8 50 56 A F E - C 0 108A 0 58,-3.1 58,-1.8 -2,-0.6 4,-0.1 -0.859 7.0-176.1 -99.3 112.2 -6.4 -14.1 0.5 51 57 A E S S+ 0 0 137 -2,-0.7 2,-0.3 56,-0.2 -1,-0.1 0.687 76.8 15.3 -76.5 -24.7 -7.9 -17.2 2.3 52 58 A R S S- 0 0 144 54,-0.1 56,-0.1 56,-0.1 -1,-0.1 -0.924 102.8 -68.8-143.7 170.1 -11.1 -15.3 2.8 53 59 A D - 0 0 90 -2,-0.3 2,-0.4 54,-0.1 53,-0.2 -0.361 43.4-142.0 -67.8 138.5 -12.9 -12.2 1.5 54 60 A A E +J 105 0B 4 51,-2.3 51,-1.9 80,-0.2 80,-0.3 -0.828 19.3 179.3 -97.0 140.8 -11.3 -8.8 2.5 55 61 A S E + 0 0 54 78,-2.7 48,-1.6 -2,-0.4 2,-0.3 0.513 63.3 10.4-117.9 -12.5 -13.7 -5.9 3.3 56 62 A S E -JK 102 133B 28 77,-1.4 77,-2.3 46,-0.3 2,-0.4 -0.982 56.9-140.1-158.9 166.7 -11.3 -3.1 4.2 57 63 A I E -JK 101 132B 0 44,-2.4 44,-2.0 -2,-0.3 2,-0.4 -0.972 10.3-154.4-129.5 144.9 -7.7 -2.0 4.3 58 64 A E E -JK 100 131B 35 73,-3.2 73,-2.3 -2,-0.4 2,-0.4 -0.974 15.1-169.1-122.4 132.2 -5.9 -0.1 7.0 59 65 A V E -JK 99 130B 0 40,-2.9 40,-2.8 -2,-0.4 2,-0.7 -0.995 21.2-138.8-131.1 135.2 -2.9 2.0 6.0 60 66 A R E +JK 98 129B 40 69,-2.7 68,-2.6 -2,-0.4 69,-0.6 -0.817 42.9 165.8 -94.9 115.1 -0.3 3.7 8.2 61 67 A V E -JK 97 127B 0 36,-3.1 36,-2.3 -2,-0.7 2,-0.3 -0.821 26.4-171.0-134.1 155.9 0.3 7.1 6.5 62 68 A A E + K 0 126B 0 64,-1.7 64,-2.9 -2,-0.3 2,-0.3 -0.983 10.1 175.0-143.1 151.2 1.9 10.5 7.0 63 69 A S E -J 92 0B 0 29,-0.6 27,-2.5 32,-0.5 29,-1.2 -0.919 28.4-168.5-157.5 139.7 1.7 13.7 4.9 64 70 A D S S+ 0 0 85 -2,-0.3 29,-0.1 27,-0.2 25,-0.1 0.267 83.3 57.1 -98.7 3.6 2.9 17.3 5.2 65 71 A T S S- 0 0 23 59,-0.3 26,-0.2 23,-0.1 25,-0.2 -0.553 112.9 -74.1-119.5-174.1 0.7 18.3 2.2 66 72 A P S S- 0 0 86 0, 0.0 23,-0.4 0, 0.0 2,-0.2 0.653 70.7-144.6 -60.9 -12.3 -3.0 18.0 1.3 67 73 A G - 0 0 2 56,-0.3 52,-0.4 21,-0.2 2,-0.3 -0.572 14.2-148.1 90.3-150.4 -2.6 14.3 0.8 68 74 A G E -D 87 0A 12 19,-2.4 19,-3.1 -2,-0.2 2,-0.3 -0.888 24.0 -66.7 174.0-143.1 -4.4 12.3 -1.7 69 75 A R E -DE 86 117A 74 48,-2.6 48,-2.4 -2,-0.3 2,-0.5 -0.962 21.5-137.0-143.5 158.6 -5.7 8.8 -2.2 70 76 A I E -DE 85 116A 0 15,-2.5 15,-2.1 -2,-0.3 2,-0.4 -0.983 17.8-157.1-116.3 121.0 -4.6 5.2 -2.5 71 77 A E E -DE 84 115A 16 44,-3.3 44,-2.5 -2,-0.5 2,-0.6 -0.821 8.8-144.6 -94.9 138.2 -6.3 3.0 -5.1 72 78 A I E +DE 83 114A 0 11,-2.8 10,-3.4 -2,-0.4 11,-0.8 -0.911 32.7 156.7-105.3 120.0 -6.2 -0.7 -4.6 73 79 A R E -DE 81 113A 50 40,-2.2 40,-3.2 -2,-0.6 2,-0.3 -0.852 24.5-145.7-136.9 160.9 -5.9 -2.7 -7.8 74 80 A T E + E 0 112A 26 6,-0.5 2,-1.2 -2,-0.3 38,-0.2 -0.943 68.7 22.0-130.4 161.6 -4.6 -6.1 -8.8 75 81 A G S S- 0 0 53 36,-2.2 37,-0.1 -2,-0.3 -1,-0.0 -0.272 124.9 -1.2 86.5 -48.3 -2.9 -7.7 -11.7 76 82 A S S > S- 0 0 38 -2,-1.2 3,-1.6 35,-0.1 37,-0.2 -0.939 85.8 -89.1-160.3 170.8 -1.4 -4.5 -13.1 77 83 A P T 3 S+ 0 0 39 0, 0.0 -2,-0.1 0, 0.0 -34,-0.0 0.691 129.2 47.2 -62.9 -18.4 -1.4 -0.8 -12.2 78 84 A T T 3 S+ 0 0 118 -5,-0.0 3,-0.1 2,-0.0 -3,-0.1 0.411 86.6 127.1-100.8 3.6 -4.6 -0.5 -14.4 79 85 A G S < S- 0 0 15 -3,-1.6 -4,-0.1 1,-0.2 3,-0.1 -0.048 75.5 -64.4 -64.3 160.9 -6.4 -3.5 -13.0 80 86 A T - 0 0 111 -6,-0.1 -6,-0.5 1,-0.1 2,-0.3 -0.161 56.4-111.3 -48.4 131.6 -9.9 -3.2 -11.7 81 87 A L E +D 73 0A 68 1,-0.2 -8,-0.2 -8,-0.2 -1,-0.1 -0.488 33.6 179.6 -65.7 121.1 -10.3 -0.9 -8.6 82 88 A L E - 0 0 42 -10,-3.4 22,-1.7 1,-0.4 2,-0.3 0.567 63.7 -39.1 -97.2 -13.9 -11.1 -3.0 -5.5 83 89 A G E -DF 72 103A 10 -11,-0.8 -11,-2.8 20,-0.2 -1,-0.4 -0.928 54.2-134.4 168.6 167.9 -11.2 -0.1 -3.1 84 90 A D E -D 71 0A 66 18,-0.8 2,-0.4 -2,-0.3 -13,-0.2 -0.971 5.1-147.6-142.4 167.1 -9.6 3.2 -2.2 85 91 A V E -D 70 0A 1 -15,-2.1 -15,-2.5 -2,-0.3 2,-0.5 -1.000 15.2-134.9-136.1 132.6 -8.4 5.1 0.8 86 92 A Q E -D 69 0A 123 14,-0.4 -17,-0.2 -2,-0.4 14,-0.1 -0.776 17.1-162.1 -90.4 132.5 -8.3 8.8 1.5 87 93 A V E -D 68 0A 2 -19,-3.1 -19,-2.4 -2,-0.5 2,-0.1 -0.958 10.6-167.6-116.8 117.1 -5.1 10.2 3.0 88 94 A P - 0 0 56 0, 0.0 2,-0.2 0, 0.0 -21,-0.2 -0.344 38.5 -74.5 -89.8 174.7 -5.3 13.6 4.6 89 95 A N - 0 0 83 -23,-0.4 -25,-0.2 1,-0.1 36,-0.1 -0.546 42.9-171.2 -61.8 134.5 -2.7 16.0 5.8 90 96 A T - 0 0 12 -27,-2.5 -26,-0.2 -2,-0.2 -1,-0.1 0.382 49.7 -95.9-113.6 -2.8 -1.3 14.6 9.0 91 97 A G S S+ 0 0 48 -28,-0.9 2,-0.2 -26,-0.2 -27,-0.2 0.349 91.8 0.4 104.3 -2.7 0.8 17.5 10.2 92 98 A G E > S-J 63 0B 10 -29,-1.2 3,-1.4 3,-0.3 -29,-0.6 -0.880 80.7 -85.6 164.0 166.4 4.2 16.4 8.8 93 99 A W E 3 S+ 0 0 84 1,-0.3 -1,-0.1 -2,-0.2 -29,-0.1 0.696 128.3 33.2 -68.4 -17.2 6.1 13.8 6.9 94 100 A Q E 3 S+ 0 0 40 -68,-0.1 2,-0.9 -69,-0.1 -1,-0.3 0.027 85.9 109.4-126.8 28.7 6.7 11.7 10.0 95 101 A Q E < - 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