==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE-BINDING MODULE 18-OCT-04 1W9S . 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) . 12129.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 66.4 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 . 121 45.1 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 5 3 0 2 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 0 153 0, 0.0 2,-0.3 0, 0.0 45,-0.0 0.000 360.0 360.0 360.0 20.1 7.1 -16.6 -0.6 2 8 A L - 0 0 96 46,-0.1 2,-0.4 47,-0.0 46,-0.2 -0.686 360.0-131.0 -86.0 155.5 3.3 -15.9 -0.4 3 9 A K B -a 48 0A 44 44,-2.7 46,-2.3 -2,-0.3 6,-0.1 -0.851 8.1-133.5-105.8 145.8 2.4 -12.8 1.5 4 10 A N > - 0 0 85 -2,-0.4 3,-1.3 44,-0.2 46,-0.1 -0.872 12.7-168.2 -99.7 110.1 -0.3 -12.7 4.1 5 11 A P T 3 S+ 0 0 0 0, 0.0 127,-3.4 0, 0.0 4,-0.1 0.603 83.1 67.0 -73.8 -12.5 -2.7 -9.8 3.7 6 12 A Y T 3 S+ 0 0 40 125,-0.2 2,-0.3 2,-0.1 128,-0.1 0.373 100.2 52.3 -94.5 4.4 -4.2 -10.3 7.1 7 13 A E S < S- 0 0 131 -3,-1.3 125,-0.3 123,-0.1 123,-0.1 -0.885 111.3 -72.4-124.5 160.0 -1.0 -9.4 8.9 8 14 A R - 0 0 139 -2,-0.3 2,-0.5 123,-0.1 123,-0.2 -0.243 40.7-157.1 -55.0 137.0 0.9 -6.1 8.3 9 15 A I E -G 130 0B 13 121,-3.0 121,-2.2 -4,-0.1 2,-0.3 -0.979 21.7-127.1-111.2 125.4 2.8 -5.9 5.0 10 16 A Q E > -G 129 0B 65 -2,-0.5 3,-1.7 119,-0.2 119,-0.3 -0.576 10.7-136.8 -76.4 131.5 5.6 -3.4 5.2 11 17 A A T 3 S+ 0 0 0 117,-2.4 3,-0.3 -2,-0.3 118,-0.2 0.801 101.4 58.7 -64.7 -28.7 5.3 -0.9 2.3 12 18 A E T 3 S+ 0 0 54 116,-0.5 2,-0.7 20,-0.3 -1,-0.3 0.611 86.3 80.4 -73.4 -11.2 9.1 -1.0 1.6 13 19 A A < + 0 0 53 -3,-1.7 -1,-0.2 2,-0.0 2,-0.1 -0.236 68.4 144.3 -88.9 42.0 8.9 -4.8 1.0 14 20 A Y - 0 0 68 -2,-0.7 31,-0.2 -3,-0.3 3,-0.1 -0.437 49.2-148.1 -81.1 158.2 7.6 -4.2 -2.6 15 21 A D S S+ 0 0 71 29,-3.3 2,-0.3 1,-0.4 30,-0.2 0.634 82.9 0.2 -99.6 -23.8 8.4 -6.4 -5.6 16 22 A A E -B 44 0A 34 28,-1.2 28,-3.0 2,-0.0 -1,-0.4 -0.959 68.6-179.1-154.4 160.7 8.2 -3.5 -8.1 17 23 A M E -B 43 0A 41 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.954 18.7-145.0-151.3 168.5 7.5 0.2 -8.0 18 24 A S E S-B 42 0A 2 24,-2.5 24,-1.8 -2,-0.3 195,-0.0 -0.922 79.1 -8.6-140.0 117.8 7.2 3.3 -10.0 19 25 A G S S+ 0 0 5 -2,-0.3 2,-0.2 1,-0.2 22,-0.1 0.343 98.8 107.6 94.4 -1.0 8.2 6.7 -8.8 20 26 A I - 0 0 7 22,-0.3 2,-0.3 17,-0.1 -1,-0.2 -0.512 43.5-159.4-115.7 172.7 9.0 6.2 -5.1 21 27 A Q E -H 35 0B 91 14,-1.9 14,-2.7 -2,-0.2 2,-0.3 -0.956 17.8-126.5-142.8 160.5 11.9 6.0 -2.7 22 28 A T E +H 34 0B 65 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.778 26.5 169.1-109.2 156.3 12.4 4.5 0.8 23 29 A E E -H 33 0B 58 10,-2.2 10,-2.6 -2,-0.3 2,-0.2 -0.967 42.5 -84.2-152.3 163.3 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 47.3-133.5 -71.0 140.5 13.9 5.3 7.7 25 31 A T - 0 0 11 6,-2.4 6,-0.1 -2,-0.2 69,-0.1 -0.737 16.2-153.7 -99.3 147.5 10.8 6.0 9.6 26 32 A D + 0 0 135 -2,-0.3 3,-0.1 4,-0.1 -1,-0.1 0.307 62.9 117.5 -88.9 4.2 10.3 7.8 13.0 27 33 A D S > S- 0 0 12 1,-0.2 3,-1.8 3,-0.1 -2,-0.1 -0.243 83.5 -79.6 -71.5 163.7 7.0 5.8 13.5 28 34 A D T 3 S+ 0 0 127 1,-0.3 -1,-0.2 0, 0.0 -2,-0.0 -0.287 120.4 33.9 -68.6 142.8 7.0 3.5 16.5 29 35 A G T 3 S- 0 0 87 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.347 102.2-130.8 97.8 -12.0 8.7 0.2 15.8 30 36 A G < + 0 0 34 -3,-1.8 2,-0.3 1,-0.1 -4,-0.1 -0.239 58.7 116.7 58.9-146.5 11.2 1.9 13.6 31 37 A G - 0 0 47 -6,-0.1 -6,-2.4 -5,-0.0 2,-0.3 -0.637 65.1 -54.4 82.2-148.0 11.9 0.4 10.2 32 38 A D E -H 24 0B 67 -8,-0.3 2,-0.3 -2,-0.3 -20,-0.3 -0.865 33.1-156.9-133.8 158.7 11.2 2.2 7.0 33 39 A N E -H 23 0B 0 -10,-2.6 -10,-2.2 -2,-0.3 2,-0.3 -0.915 23.3-120.6-127.5 160.2 8.6 3.9 4.9 34 40 A I E +HI 22 127B 0 93,-2.4 93,-2.0 -2,-0.3 2,-0.2 -0.731 44.8 153.0 -89.3 151.9 8.1 4.6 1.3 35 41 A G E +H 21 0B 0 -14,-2.7 -14,-1.9 -2,-0.3 3,-0.1 -0.803 35.2 84.4-158.0-161.5 7.9 8.3 0.3 36 42 A W + 0 0 82 -2,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.929 67.2 174.0 49.2 48.4 8.5 10.8 -2.6 37 43 A I + 0 0 0 88,-0.7 87,-3.1 -3,-0.1 88,-0.3 -0.751 9.4 179.0 -94.1 129.8 5.0 9.7 -3.7 38 44 A N > - 0 0 4 -2,-0.5 3,-2.5 85,-0.2 78,-0.2 -0.833 43.0 -70.7-127.8 161.5 3.4 11.5 -6.7 39 45 A D T 3 S+ 0 0 42 80,-0.5 177,-0.5 83,-0.3 78,-0.3 -0.325 121.6 18.1 -51.4 121.4 0.1 11.3 -8.6 40 46 A G T 3 S+ 0 0 20 76,-3.5 -1,-0.3 1,-0.3 77,-0.1 0.327 92.8 127.1 96.9 -9.2 0.3 8.0 -10.7 41 47 A D < + 0 0 0 -3,-2.5 75,-2.6 75,-0.3 -1,-0.3 -0.335 35.4 179.3 -73.6 165.6 3.1 6.3 -8.8 42 48 A W E -BC 18 115A 33 -24,-1.8 -24,-2.5 73,-0.2 2,-0.3 -0.991 25.2-141.9-160.5 164.5 2.5 2.9 -7.5 43 49 A V E -BC 17 114A 0 71,-2.1 71,-2.3 -2,-0.3 2,-0.4 -0.983 17.2-146.9-132.2 145.1 4.0 -0.1 -5.6 44 50 A K E -BC 16 113A 35 -28,-3.0 -29,-3.3 -2,-0.3 -28,-1.2 -0.946 8.4-169.0-117.7 132.7 3.4 -3.9 -6.3 45 51 A Y E - C 0 112A 0 67,-2.6 67,-2.8 -2,-0.4 3,-0.5 -0.977 20.9-148.7-118.1 111.2 3.3 -6.7 -3.8 46 52 A E E + 0 0 64 -2,-0.5 65,-0.2 65,-0.2 -43,-0.1 -0.431 67.1 15.1 -79.8 152.1 3.4 -10.1 -5.6 47 53 A R E + 0 0 100 1,-0.2 -44,-2.7 -45,-0.1 2,-0.7 0.826 69.5 171.2 58.0 45.5 1.7 -13.4 -4.4 48 54 A V E -aC 3 110A 0 62,-2.8 62,-2.6 -3,-0.5 2,-0.6 -0.745 18.8-155.1 -88.4 116.7 -0.6 -11.9 -1.9 49 55 A H E - C 0 109A 73 -46,-2.3 2,-0.6 -2,-0.7 60,-0.2 -0.834 11.3-166.4-106.6 116.2 -2.9 -14.8 -0.8 50 56 A F E - C 0 108A 0 58,-3.0 58,-1.6 -2,-0.6 3,-0.1 -0.881 6.5-176.0 -98.2 116.6 -6.4 -14.1 0.5 51 57 A E S S+ 0 0 138 -2,-0.6 2,-0.3 56,-0.2 -1,-0.1 0.632 77.2 18.7 -82.5 -17.3 -7.9 -17.3 2.2 52 58 A R S S- 0 0 143 54,-0.1 56,-0.1 56,-0.1 -1,-0.1 -0.955 103.0 -72.5-148.9 159.4 -11.2 -15.4 2.8 53 59 A D - 0 0 90 -2,-0.3 2,-0.4 54,-0.1 53,-0.2 -0.343 42.9-141.3 -61.0 136.9 -12.9 -12.2 1.4 54 60 A A E +J 105 0B 4 51,-2.2 51,-1.8 80,-0.2 80,-0.3 -0.821 19.8 179.5 -95.1 142.9 -11.4 -8.9 2.5 55 61 A S E + 0 0 53 78,-2.8 48,-1.4 -2,-0.4 2,-0.3 0.512 63.4 14.3-119.6 -13.3 -13.7 -6.0 3.3 56 62 A S E -JK 102 133B 30 77,-1.4 77,-2.3 46,-0.3 2,-0.4 -0.980 56.7-142.0-155.6 163.8 -11.4 -3.2 4.3 57 63 A I E -JK 101 132B 0 44,-2.5 44,-2.2 -2,-0.3 2,-0.4 -0.977 9.7-156.1-125.1 145.4 -7.8 -2.1 4.2 58 64 A E E -JK 100 131B 34 73,-3.0 73,-2.5 -2,-0.4 2,-0.4 -0.974 15.1-170.7-121.4 129.9 -5.9 -0.2 7.0 59 65 A V E -JK 99 130B 0 40,-2.8 40,-2.5 -2,-0.4 2,-0.7 -0.995 21.1-137.7-130.7 134.7 -2.9 1.9 6.0 60 66 A R E +JK 98 129B 41 69,-2.7 68,-2.5 -2,-0.4 69,-0.5 -0.822 42.3 166.5 -92.4 118.6 -0.3 3.7 8.1 61 67 A V E -JK 97 127B 0 36,-3.1 36,-2.3 -2,-0.7 2,-0.3 -0.838 27.4-170.7-137.1 161.0 0.3 7.1 6.5 62 68 A A E +JK 96 126B 0 64,-1.9 64,-2.8 -2,-0.3 2,-0.3 -0.985 10.1 176.0-145.8 151.6 1.9 10.5 7.0 63 69 A S E -J 92 0B 0 29,-0.8 27,-2.6 32,-0.5 29,-1.2 -0.912 27.3-169.1-161.0 137.2 1.7 13.7 4.9 64 70 A D S S+ 0 0 88 -2,-0.3 29,-0.1 27,-0.2 25,-0.1 0.230 83.4 54.8 -97.0 4.1 2.9 17.2 5.2 65 71 A T S S- 0 0 23 59,-0.3 26,-0.2 23,-0.1 25,-0.1 -0.549 113.4 -71.8-122.2-173.0 0.8 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 0.677 70.3-143.5 -62.7 -10.5 -3.0 18.0 1.4 67 73 A G - 0 0 2 56,-0.3 52,-0.4 21,-0.2 2,-0.3 -0.598 14.9-150.3 90.7-152.8 -2.6 14.3 0.9 68 74 A G E -D 87 0A 13 19,-2.2 19,-3.1 -2,-0.2 2,-0.3 -0.866 23.9 -68.3 173.4-144.5 -4.5 12.2 -1.7 69 75 A R E -DE 86 117A 72 48,-2.6 48,-2.5 -2,-0.3 2,-0.5 -0.963 21.1-136.3-142.6 161.9 -5.7 8.8 -2.1 70 76 A I E -DE 85 116A 0 15,-2.4 15,-2.1 -2,-0.3 2,-0.4 -0.989 17.5-155.9-119.6 122.6 -4.6 5.2 -2.5 71 77 A E E -DE 84 115A 16 44,-3.1 44,-2.4 -2,-0.5 2,-0.6 -0.845 10.0-142.8 -95.1 135.6 -6.3 3.0 -5.1 72 78 A I E +DE 83 114A 0 11,-2.9 10,-3.3 -2,-0.4 11,-0.7 -0.896 33.2 159.2-102.1 116.6 -6.2 -0.8 -4.5 73 79 A R E -DE 81 113A 50 40,-2.4 40,-3.2 -2,-0.6 2,-0.3 -0.853 23.2-148.1-131.5 157.3 -5.9 -2.7 -7.8 74 80 A T E + E 0 112A 27 6,-0.5 2,-1.2 -2,-0.3 38,-0.2 -0.944 68.6 20.5-128.2 158.3 -4.7 -6.2 -8.8 75 81 A G S S- 0 0 54 36,-2.1 37,-0.1 -2,-0.3 -2,-0.0 -0.266 125.4 -1.7 90.0 -47.9 -2.9 -7.7 -11.8 76 82 A S S > S- 0 0 38 -2,-1.2 3,-1.8 35,-0.1 37,-0.2 -0.949 85.6 -88.7-160.2 170.9 -1.5 -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 0.669 128.8 47.0 -62.3 -17.9 -1.5 -0.8 -12.3 78 84 A T T 3 S+ 0 0 120 -4,-0.0 3,-0.1 -5,-0.0 -3,-0.1 0.322 86.2 128.0-102.9 3.5 -4.6 -0.5 -14.4 79 85 A G S < S- 0 0 16 -3,-1.8 -4,-0.1 1,-0.2 3,-0.1 -0.109 75.3 -64.9 -59.9 159.1 -6.5 -3.5 -13.0 80 86 A T - 0 0 111 1,-0.1 -6,-0.5 -6,-0.1 2,-0.3 -0.124 56.9-110.8 -48.3 133.4 -10.0 -3.2 -11.7 81 87 A L E -D 73 0A 69 1,-0.1 -8,-0.2 -3,-0.1 -1,-0.1 -0.479 33.1-178.6 -67.8 121.8 -10.3 -0.9 -8.7 82 88 A L E - 0 0 43 -10,-3.3 22,-1.8 1,-0.4 2,-0.3 0.528 63.0 -42.3 -98.4 -14.1 -11.2 -3.0 -5.6 83 89 A G E -DF 72 103A 12 -11,-0.7 -11,-2.9 20,-0.2 -1,-0.4 -0.904 54.6-131.5 168.7 173.4 -11.4 -0.1 -3.2 84 90 A D E -D 71 0A 65 18,-0.9 2,-0.4 -2,-0.3 -13,-0.2 -0.974 4.4-146.7-144.6 167.7 -9.7 3.1 -2.2 85 91 A V E -D 70 0A 1 -15,-2.1 -15,-2.4 -2,-0.3 2,-0.4 -0.999 15.5-135.3-136.6 131.0 -8.4 5.0 0.9 86 92 A Q E -D 69 0A 125 14,-0.4 -17,-0.2 -2,-0.4 14,-0.1 -0.764 17.1-161.3 -88.9 136.3 -8.4 8.8 1.5 87 93 A V E -D 68 0A 4 -19,-3.1 -19,-2.2 -2,-0.4 2,-0.1 -0.972 10.4-165.7-120.4 118.1 -5.1 10.1 3.0 88 94 A P - 0 0 52 0, 0.0 -21,-0.2 0, 0.0 2,-0.1 -0.385 37.2 -78.0 -90.2 170.3 -5.3 13.6 4.7 89 95 A N - 0 0 81 -23,-0.4 -25,-0.2 1,-0.1 36,-0.0 -0.510 41.7-171.9 -57.6 134.8 -2.7 16.0 5.8 90 96 A T - 0 0 11 -27,-2.6 -26,-0.2 -2,-0.1 -1,-0.1 0.323 49.6 -97.8-115.4 -0.1 -1.3 14.6 9.1 91 97 A G S S+ 0 0 50 -28,-0.9 2,-0.2 -26,-0.2 -27,-0.2 0.424 91.6 7.3 98.0 2.2 0.8 17.6 10.1 92 98 A G E > S-J 63 0B 10 -29,-1.2 3,-1.4 3,-0.3 -29,-0.8 -0.858 80.2 -91.2 164.9 165.5 4.2 16.3 8.8 93 99 A W E 3 S+ 0 0 82 1,-0.3 -1,-0.1 -2,-0.2 -29,-0.1 0.670 126.9 34.5 -71.2 -16.4 6.1 13.7 6.9 94 100 A Q E 3 S+ 0 0 40 -69,-0.1 2,-0.8 -68,-0.1 -1,-0.3 0.030 86.5 109.2-128.6 29.4 6.7 11.7 10.1 95 101 A Q E < - 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