==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE-BINDING PROTEIN 06-SEP-12 4B9P . COMPND 2 MOLECULE: TYPE 3A CELLULOSE-BINDING DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR O.YANIV,L.J.W.SHIMON,E.A.BAYER,R.LAMED,F.FROLOW . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 65.7 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 . 61 36.7 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 . 2 1.2 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-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 . 19 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 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 . 1 3 1 0 3 0 2 1 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 1 1 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 T 0 0 182 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.4 -8.7 12.2 -47.6 2 2 A D + 0 0 155 1,-0.1 2,-0.5 2,-0.1 0, 0.0 0.123 360.0 80.5-111.1 16.2 -9.6 8.5 -47.9 3 3 A L S S- 0 0 97 2,-0.0 2,-0.3 30,-0.0 -1,-0.1 -0.953 73.4-148.2-120.4 111.9 -7.7 7.1 -45.0 4 4 A L - 0 0 113 -2,-0.5 30,-2.7 1,-0.0 31,-0.8 -0.557 6.9-146.3 -82.1 133.4 -9.7 7.7 -41.8 5 5 A T + 0 0 47 -2,-0.3 2,-0.3 28,-0.2 26,-0.0 -0.909 38.3 155.7 -92.7 122.2 -8.1 8.3 -38.4 6 6 A K - 0 0 115 -2,-0.6 27,-1.9 29,-0.2 26,-1.3 -0.996 20.0-177.1-152.0 142.0 -10.5 6.7 -35.8 7 7 A I E -A 31 0A 5 154,-0.4 2,-0.4 -2,-0.3 24,-0.2 -0.919 14.2-149.9-133.1 163.0 -10.3 5.3 -32.3 8 8 A E E -A 30 0A 60 22,-2.2 22,-3.0 -2,-0.3 2,-0.5 -0.992 12.6-154.0-128.6 141.0 -12.6 3.7 -29.8 9 9 A L E -A 29 0A 0 -2,-0.4 140,-2.3 20,-0.2 2,-0.3 -0.971 11.6-176.6-119.3 122.0 -12.0 4.1 -26.0 10 10 A Q E +AB 28 148A 40 18,-2.9 18,-2.9 -2,-0.5 2,-0.3 -0.877 15.0 156.0-111.0 149.2 -13.3 1.4 -23.6 11 11 A A E +AB 27 147A 2 136,-2.5 136,-1.7 -2,-0.3 2,-0.3 -0.989 18.2 179.7-159.5 163.6 -13.0 1.7 -19.9 12 12 A Y E -A 26 0A 21 14,-1.9 14,-2.9 -2,-0.3 2,-0.6 -0.955 33.1-110.0-158.5 166.8 -14.3 0.7 -16.5 13 13 A N E -A 25 0A 3 130,-0.5 3,-0.1 127,-0.4 -2,-0.0 -0.888 16.6-159.7 -98.9 124.8 -13.6 1.4 -12.8 14 14 A H S S+ 0 0 81 10,-2.7 2,-0.5 -2,-0.6 -1,-0.1 0.728 87.6 44.5 -78.3 -22.1 -12.1 -1.6 -11.0 15 15 A I + 0 0 42 9,-0.2 9,-0.4 1,-0.1 -1,-0.2 -0.997 64.7 171.2-118.6 123.2 -13.2 -0.2 -7.7 16 16 A R + 0 0 86 -2,-0.5 -1,-0.1 125,-0.1 4,-0.1 0.227 28.9 129.0-118.7 10.8 -16.8 1.2 -7.7 17 17 A T - 0 0 81 1,-0.1 116,-0.2 2,-0.1 -2,-0.1 -0.355 69.3-117.0 -64.4 149.5 -17.4 1.9 -4.1 18 18 A S S S+ 0 0 68 114,-0.1 115,-2.5 115,-0.1 116,-0.6 0.806 104.5 35.5 -60.2 -35.1 -18.8 5.4 -3.4 19 19 A E E S+F 132 0B 105 113,-0.2 2,-0.3 114,-0.1 113,-0.2 -0.958 75.8 169.6-114.7 141.0 -15.6 6.2 -1.3 20 20 A T E -F 131 0B 8 111,-1.9 111,-3.1 -2,-0.4 3,-0.1 -0.996 38.9-144.7-145.6 152.6 -12.2 4.8 -2.3 21 21 A K S S+ 0 0 78 -2,-0.3 2,-0.3 109,-0.2 92,-0.3 0.429 94.5 35.0 -95.5 4.2 -8.6 5.4 -1.2 22 22 A E S S- 0 0 11 90,-0.1 2,-0.4 109,-0.1 90,-0.2 -0.944 73.8-135.2-153.1 132.7 -7.6 4.8 -4.9 23 23 A L B -C 111 0A 0 88,-2.9 88,-2.0 -2,-0.3 -7,-0.1 -0.724 22.2-170.6 -75.9 133.2 -9.1 5.6 -8.2 24 24 A Q + 0 0 23 -2,-0.4 -10,-2.7 -9,-0.4 2,-0.3 -0.495 11.4 169.7-128.6 65.2 -8.7 2.5 -10.4 25 25 A P E -A 13 0A 2 0, 0.0 84,-1.6 0, 0.0 2,-0.4 -0.569 16.1-160.6 -71.8 134.7 -9.7 3.4 -14.0 26 26 A R E -AD 12 108A 45 -14,-2.9 -14,-1.9 -2,-0.3 2,-0.4 -0.986 13.3-170.7-116.6 133.1 -8.9 0.7 -16.5 27 27 A I E -AD 11 107A 1 80,-2.3 80,-2.8 -2,-0.4 2,-0.4 -0.954 19.4-168.1-133.3 142.2 -8.7 1.9 -20.1 28 28 A K E -AD 10 106A 53 -18,-2.9 -18,-2.9 -2,-0.4 2,-0.6 -0.986 10.1-163.5-129.6 116.6 -8.4 0.2 -23.6 29 29 A L E -AD 9 105A 4 76,-2.9 76,-2.4 -2,-0.4 2,-0.4 -0.922 11.9-168.7-103.5 122.4 -7.6 2.5 -26.5 30 30 A I E -AD 8 104A 25 -22,-3.0 -22,-2.2 -2,-0.6 2,-0.9 -0.926 21.9-137.7-118.4 132.6 -8.3 0.8 -29.9 31 31 A N E +A 7 0A 1 72,-2.6 71,-2.9 -2,-0.4 -24,-0.2 -0.775 32.1 164.0 -86.4 109.1 -7.3 2.0 -33.3 32 32 A T + 0 0 60 -26,-1.3 -25,-0.2 -2,-0.9 -1,-0.2 0.470 51.7 76.7-106.5 -2.4 -10.4 1.4 -35.4 33 33 A G S S- 0 0 3 -27,-1.9 -28,-0.2 2,-0.2 69,-0.1 0.121 88.8-109.5 -86.0-158.1 -9.5 3.6 -38.4 34 34 A N S S+ 0 0 114 -30,-2.7 -29,-0.2 67,-0.1 -3,-0.0 0.248 86.6 87.4-125.9 20.0 -7.0 2.8 -41.1 35 35 A T S S- 0 0 19 -31,-0.8 -29,-0.2 -29,-0.1 -2,-0.2 -0.913 79.0-115.8-113.0 142.7 -4.2 5.2 -40.3 36 36 A P - 0 0 80 0, 0.0 2,-0.5 0, 0.0 64,-0.2 -0.451 28.4-145.8 -68.5 148.6 -1.3 4.4 -37.9 37 37 A I E -G 99 0C 7 62,-2.2 62,-3.3 -2,-0.1 2,-0.6 -0.974 9.8-131.6-121.1 126.0 -1.3 6.6 -34.8 38 38 A T E > -G 98 0C 74 -2,-0.5 3,-1.7 60,-0.2 60,-0.2 -0.680 17.7-148.2 -75.9 118.6 1.9 7.7 -33.1 39 39 A L G > S+ 0 0 4 58,-2.2 3,-2.3 -2,-0.6 53,-0.3 0.839 91.8 64.6 -63.5 -35.3 1.4 6.9 -29.4 40 40 A S G 3 S+ 0 0 22 57,-0.4 -1,-0.3 1,-0.3 52,-0.2 0.748 99.4 57.0 -59.7 -22.6 3.5 9.8 -28.1 41 41 A E G < S+ 0 0 90 -3,-1.7 116,-2.8 50,-0.1 117,-0.5 0.479 91.5 92.2 -81.8 -3.1 0.9 12.2 -29.7 42 42 A V E < -H 156 0D 2 -3,-2.3 50,-0.4 114,-0.2 2,-0.4 -0.780 49.8-178.3-102.5 134.0 -2.0 10.7 -27.8 43 43 A K E -H 155 0D 67 112,-2.2 112,-2.8 -2,-0.4 2,-0.4 -0.988 7.5-162.9-126.6 141.1 -3.3 12.0 -24.4 44 44 A I E -HI 154 90D 1 46,-2.5 46,-2.9 -2,-0.4 2,-0.5 -0.984 7.8-156.5-122.8 132.9 -6.2 10.4 -22.5 45 45 A R E -HI 153 89D 58 108,-2.5 108,-1.7 -2,-0.4 2,-0.6 -0.956 12.4-169.7-122.1 129.2 -8.0 12.3 -19.7 46 46 A Y E -HI 152 88D 3 42,-2.1 42,-2.4 -2,-0.5 2,-0.3 -0.961 23.1-151.0-108.9 114.0 -10.0 10.9 -16.8 47 47 A Y E + I 0 87D 5 -2,-0.6 91,-2.5 104,-0.5 2,-0.3 -0.670 29.2 141.8 -95.1 140.3 -11.8 13.8 -15.1 48 48 A Y E - I 0 86D 0 38,-2.4 37,-2.1 -2,-0.3 38,-2.1 -0.938 50.7-100.3-159.3 173.3 -12.7 13.8 -11.4 49 49 A T - 0 0 21 83,-0.3 83,-0.3 -2,-0.3 3,-0.1 -0.965 22.5-151.4-108.0 123.2 -13.0 16.0 -8.3 50 50 A K > - 0 0 66 -2,-0.5 3,-2.1 1,-0.2 -1,-0.1 0.639 24.3-171.1 -69.2 -13.6 -10.0 15.6 -6.0 51 51 A D T 3 - 0 0 57 1,-0.3 -1,-0.2 84,-0.1 80,-0.1 -0.367 64.4 -33.6 57.0-131.5 -12.2 16.4 -3.0 52 52 A Q T 3 S+ 0 0 123 78,-0.4 -1,-0.3 75,-0.3 2,-0.1 0.231 99.7 131.0-104.5 16.4 -9.8 16.8 0.0 53 53 A V < - 0 0 6 -3,-2.1 2,-0.2 76,-0.1 76,-0.2 -0.442 34.8-172.4 -73.6 138.8 -7.2 14.2 -1.1 54 54 A I + 0 0 65 74,-2.1 3,-0.2 1,-0.1 60,-0.1 -0.742 57.9 40.9-122.8 174.4 -3.6 15.3 -1.0 55 55 A N S S- 0 0 63 -2,-0.2 59,-2.2 1,-0.2 2,-0.3 0.827 76.7-174.3 56.8 34.1 -0.2 13.8 -2.2 56 56 A E E +E 113 0A 33 57,-0.2 2,-0.3 -3,-0.2 57,-0.2 -0.441 7.7 170.9 -69.9 128.6 -2.0 12.6 -5.3 57 57 A I E -E 112 0A 73 55,-2.5 55,-1.8 -2,-0.3 2,-0.4 -0.895 25.4-134.3-130.8 160.4 0.2 10.4 -7.5 58 58 A Y E +E 111 0A 35 -2,-0.3 2,-0.4 14,-0.2 53,-0.2 -0.929 21.3 178.7-111.1 138.7 -0.3 8.3 -10.6 59 59 A T E -E 110 0A 46 51,-2.3 51,-2.4 -2,-0.4 2,-0.7 -1.000 22.6-143.6-136.5 143.9 1.0 4.8 -11.1 60 60 A C E -E 109 0A 15 -2,-0.4 49,-0.2 49,-0.2 3,-0.1 -0.919 13.9-174.6-100.0 111.8 0.6 2.4 -14.0 61 61 A D E - 0 0 76 47,-1.7 2,-0.3 -2,-0.7 48,-0.2 0.798 66.7 -13.5 -73.8 -31.3 0.4 -1.1 -12.6 62 62 A W E -E 108 0A 121 46,-1.3 46,-2.9 4,-0.1 2,-0.3 -0.958 53.4-179.4-168.0 146.3 0.4 -2.8 -16.0 63 63 A S E > -E 107 0A 2 -2,-0.3 3,-1.5 44,-0.2 4,-0.2 -0.973 38.6-122.0-144.2 153.6 -0.0 -2.2 -19.7 64 64 A N T 3 S+ 0 0 57 42,-1.2 43,-0.1 -2,-0.3 41,-0.0 0.699 121.8 46.0 -66.3 -15.0 0.1 -4.7 -22.6 65 65 A I T 3 S- 0 0 36 41,-0.4 -1,-0.3 1,-0.1 42,-0.1 0.375 129.2-100.2-101.9 7.2 3.0 -2.5 -23.9 66 66 A T X - 0 0 78 -3,-1.5 3,-1.9 1,-0.1 4,-0.2 0.412 27.5 -96.3 77.2 145.8 4.6 -2.5 -20.5 67 67 A S G > S+ 0 0 56 1,-0.3 3,-1.8 -4,-0.2 -1,-0.1 0.730 114.4 73.0 -66.5 -22.2 4.3 0.3 -17.9 68 68 A S G 3 S+ 0 0 93 1,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.663 95.6 53.7 -68.4 -13.3 7.6 1.9 -18.9 69 69 A K G < S+ 0 0 80 -3,-1.9 24,-2.1 23,-0.1 2,-0.4 0.435 97.6 83.6 -93.2 -3.5 6.0 3.2 -22.1 70 70 A I E < -J 92 0D 16 -3,-1.8 2,-0.3 22,-0.2 22,-0.3 -0.815 57.2-167.1-104.4 141.0 3.1 4.9 -20.2 71 71 A T E -J 91 0D 47 20,-2.6 20,-2.5 -2,-0.4 2,-0.3 -0.923 5.9-176.8-118.6 150.2 3.2 8.3 -18.6 72 72 A G E -J 90 0D 24 -2,-0.3 2,-0.4 18,-0.2 -14,-0.2 -0.979 2.6-179.0-146.8 142.2 0.6 9.7 -16.2 73 73 A T E -J 89 0D 76 16,-1.9 16,-3.0 -2,-0.3 2,-0.6 -0.986 24.4-133.9-137.3 143.0 0.2 13.0 -14.6 74 74 A V E -J 88 0D 25 -2,-0.4 2,-0.5 14,-0.2 14,-0.2 -0.889 30.3-167.6 -94.8 125.4 -2.3 14.4 -12.1 75 75 A V E -J 87 0D 37 12,-3.1 12,-2.3 -2,-0.6 2,-0.4 -0.947 17.0-142.8-121.0 131.1 -3.5 17.9 -13.3 76 76 A Q E -J 86 0D 111 -2,-0.5 2,-0.5 10,-0.2 10,-0.3 -0.726 29.4-121.4 -84.0 135.0 -5.4 20.5 -11.4 77 77 A M E - 0 0 35 8,-3.0 7,-0.0 -2,-0.4 -1,-0.0 -0.696 13.0-158.7 -83.4 124.3 -7.9 22.3 -13.6 78 78 A S E S+ 0 0 113 -2,-0.5 -1,-0.2 1,-0.3 8,-0.0 0.829 95.7 38.2 -63.8 -29.6 -7.5 26.0 -13.9 79 79 A N E S- 0 0 116 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.0 -0.672 88.9-161.4-125.3 76.6 -11.2 26.2 -15.0 80 80 A P E - 0 0 77 0, 0.0 5,-0.2 0, 0.0 -31,-0.0 -0.157 4.1-162.4 -64.4 158.2 -13.1 23.6 -13.0 81 81 A K E > -J 84 0D 88 3,-3.0 3,-2.5 1,-0.0 -4,-0.1 -0.815 42.8 -68.9-129.8 161.6 -16.5 22.3 -14.0 82 82 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.0 0, 0.0 54,-0.0 -0.407 125.5 5.5 -53.7 126.9 -19.2 20.4 -12.1 83 83 A N T 3 S+ 0 0 77 53,-0.1 54,-2.9 -2,-0.1 55,-0.3 0.540 122.9 80.5 72.8 13.0 -17.7 17.0 -11.3 84 84 A A E < + J 0 81D 0 -3,-2.5 -3,-3.0 52,-0.2 -35,-0.3 -0.737 28.9 131.9-152.9 98.5 -14.3 17.9 -12.8 85 85 A D E S+ 0 0 34 -37,-2.1 -8,-3.0 -2,-0.3 2,-0.3 0.401 80.5 25.2-117.0 1.2 -11.7 19.9 -11.0 86 86 A S E -IJ 48 76D 0 -38,-2.1 -38,-2.4 -10,-0.3 2,-0.3 -0.950 63.0-160.9-149.7 162.3 -8.8 17.6 -11.9 87 87 A Y E -IJ 47 75D 35 -12,-2.3 -12,-3.1 -2,-0.3 2,-0.6 -0.992 20.5-130.9-146.7 150.9 -7.8 15.0 -14.5 88 88 A V E -IJ 46 74D 1 -42,-2.4 -42,-2.1 -2,-0.3 2,-0.6 -0.890 26.7-156.3 -87.8 122.6 -5.4 12.2 -14.8 89 89 A E E -IJ 45 73D 34 -16,-3.0 -16,-1.9 -2,-0.6 2,-0.4 -0.930 7.4-165.7-105.7 117.4 -3.7 12.7 -18.1 90 90 A I E +IJ 44 72D 2 -46,-2.9 -46,-2.5 -2,-0.6 -18,-0.2 -0.830 18.7 158.0-102.1 132.5 -2.2 9.4 -19.5 91 91 A G E - 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