==== 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 04-SEP-12 4B9C . 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 . 150 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 38.0 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 . 1 0.7 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 . 12 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 10.0 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+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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 2 2 1 1 2 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 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 G 0 0 94 0, 0.0 30,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 79.3 12.3 5.1 20.2 2 2 A S + 0 0 94 31,-0.1 2,-0.3 2,-0.0 31,-0.0 -0.172 360.0 76.4-150.7 39.6 9.8 7.0 22.3 3 3 A H - 0 0 105 2,-0.0 29,-2.4 0, 0.0 30,-0.5 -0.985 54.0-135.9-155.8 148.0 7.8 9.8 20.7 4 4 A M + 0 0 82 -2,-0.3 2,-0.3 27,-0.2 30,-0.1 -0.744 28.3 173.1 -95.7 150.1 4.9 10.5 18.4 5 5 A G - 0 0 8 -2,-0.3 25,-1.6 28,-0.3 26,-1.1 -0.988 12.9-169.9-155.8 147.8 5.1 13.2 15.7 6 6 A L E -A 29 0A 4 -2,-0.3 2,-0.3 139,-0.3 23,-0.2 -0.962 2.3-167.2-135.0 154.3 3.1 14.5 12.8 7 7 A K E -A 28 0A 49 21,-1.4 21,-2.4 -2,-0.3 2,-0.4 -0.992 11.6-148.3-140.7 136.7 3.7 16.9 9.9 8 8 A I E -A 27 0A 0 -2,-0.3 125,-2.8 125,-0.2 2,-0.4 -0.879 12.2-177.2-106.4 137.2 1.2 18.5 7.6 9 9 A Q E +AB 26 132A 18 17,-2.5 17,-2.6 -2,-0.4 2,-0.3 -0.990 19.1 149.1-125.0 141.4 1.7 19.4 3.9 10 10 A Y - 0 0 0 121,-0.9 2,-0.3 -2,-0.4 121,-0.2 -0.981 19.1-177.0-162.9 155.9 -1.0 21.1 1.9 11 11 A Y - 0 0 60 13,-0.4 2,-0.4 -2,-0.3 13,-0.1 -0.966 15.7-141.9-152.7 157.3 -1.6 23.5 -0.9 12 12 A S B -f 126 0B 1 113,-2.7 115,-1.7 -2,-0.3 117,-0.1 -0.988 9.3-168.3-123.9 133.5 -4.6 25.1 -2.6 13 13 A R + 0 0 192 -2,-0.4 -1,-0.1 113,-0.2 115,-0.1 0.337 56.4 116.1 -94.8 3.4 -5.0 25.7 -6.3 14 14 A K S S- 0 0 61 1,-0.1 4,-0.1 8,-0.1 -2,-0.1 -0.492 72.6-111.2 -69.6 142.9 -8.1 27.9 -5.6 15 15 A P - 0 0 85 0, 0.0 -1,-0.1 0, 0.0 103,-0.1 -0.230 36.9 -98.5 -66.7 166.5 -7.9 31.6 -6.6 16 16 A H S S+ 0 0 49 1,-0.1 102,-2.9 101,-0.1 2,-0.5 0.799 117.8 51.9 -68.6 -27.1 -7.9 34.0 -3.7 17 17 A D E S+G 117 0C 60 100,-0.2 2,-0.3 101,-0.1 100,-0.2 -0.953 80.8 153.4-103.8 122.7 -11.6 34.7 -4.1 18 18 A S E -G 116 0C 9 98,-1.8 98,-3.1 -2,-0.5 -4,-0.0 -0.998 52.0-140.5-153.5 141.1 -13.4 31.4 -4.2 19 19 A A S S+ 0 0 43 -2,-0.3 91,-0.6 96,-0.3 2,-0.4 0.858 97.2 44.4 -68.6 -35.6 -16.8 29.9 -3.4 20 20 A G E S-C 109 0A 3 89,-0.1 2,-0.6 96,-0.1 89,-0.2 -0.897 72.2-147.5-112.9 139.0 -15.1 26.8 -1.9 21 21 A I E -C 108 0A 0 87,-2.8 87,-2.1 -2,-0.4 2,-0.6 -0.935 19.7-141.8-101.0 122.3 -12.1 26.6 0.4 22 22 A D E +C 107 0A 33 -2,-0.6 85,-0.2 85,-0.2 -8,-0.1 -0.748 26.3 171.4 -85.4 119.7 -10.1 23.5 -0.2 23 23 A F + 0 0 0 83,-1.9 84,-0.2 -2,-0.6 -1,-0.1 0.177 26.3 141.4-113.3 17.1 -8.7 22.0 3.0 24 24 A S + 0 0 25 82,-0.7 -13,-0.4 -13,-0.1 2,-0.3 -0.342 26.9 160.8 -53.5 135.0 -7.4 18.8 1.4 25 25 A F E - D 0 104A 3 79,-1.2 79,-2.3 -15,-0.1 2,-0.3 -0.955 34.8-133.8-151.1 167.2 -4.1 17.9 3.0 26 26 A R E -AD 9 103A 50 -17,-2.6 -17,-2.5 -2,-0.3 2,-0.4 -0.927 18.3-162.6-123.3 156.0 -1.6 15.1 3.6 27 27 A M E -AD 8 102A 0 75,-1.9 75,-2.3 -2,-0.3 2,-0.4 -0.998 3.2-153.4-144.5 133.5 0.0 14.2 6.9 28 28 A F E -AD 7 101A 45 -21,-2.4 -21,-1.4 -2,-0.4 2,-0.8 -0.847 20.7-127.0-108.0 143.1 3.1 12.1 7.8 29 29 A N E +A 6 0A 1 71,-2.3 70,-2.9 -2,-0.4 -23,-0.3 -0.806 33.5 172.9 -82.9 111.0 3.9 10.2 10.9 30 30 A T + 0 0 67 -25,-1.6 -24,-0.2 -2,-0.8 -1,-0.1 0.418 50.9 77.0-103.6 -2.4 7.3 11.6 11.7 31 31 A G S S- 0 0 8 -26,-1.1 -27,-0.2 2,-0.2 68,-0.2 -0.048 88.5-108.8 -90.0-160.1 7.8 9.9 15.1 32 32 A N S S+ 0 0 67 -29,-2.4 2,-0.4 66,-0.1 -28,-0.2 0.127 90.0 74.7-122.1 21.1 8.7 6.4 15.9 33 33 A E S S- 0 0 77 -30,-0.5 -28,-0.3 -28,-0.1 -2,-0.2 -0.990 85.0-105.9-133.7 140.8 5.4 5.1 17.3 34 34 A A - 0 0 58 -2,-0.4 2,-0.5 63,-0.1 63,-0.2 -0.339 36.5-139.6 -63.8 147.3 2.2 4.2 15.4 35 35 A I E -H 96 0D 3 61,-2.6 61,-2.3 -4,-0.1 2,-0.7 -0.942 5.5-142.0-119.4 129.0 -0.6 6.7 15.8 36 36 A D E > -H 95 0D 65 -2,-0.5 3,-2.3 59,-0.2 59,-0.2 -0.812 13.8-148.6 -82.3 113.7 -4.3 6.1 16.3 37 37 A L G > S+ 0 0 1 57,-2.1 3,-1.9 -2,-0.7 54,-0.5 0.709 91.2 76.6 -61.9 -18.6 -6.0 8.8 14.2 38 38 A K G 3 S+ 0 0 128 56,-0.5 -1,-0.3 1,-0.3 53,-0.2 0.790 96.4 49.2 -58.8 -24.4 -8.9 8.7 16.7 39 39 A D G < S+ 0 0 77 -3,-2.3 102,-2.9 51,-0.1 103,-0.5 0.381 99.7 89.7 -93.2 2.1 -6.6 10.7 19.0 40 40 A V E < +I 140 0E 4 -3,-1.9 51,-0.5 100,-0.2 2,-0.3 -0.805 46.6 176.7-109.3 140.4 -5.7 13.2 16.3 41 41 A K E -IJ 139 90E 23 98,-1.8 98,-2.3 -2,-0.4 2,-0.3 -0.960 9.2-161.4-133.2 158.8 -7.2 16.5 15.3 42 42 A V E -IJ 138 89E 0 47,-1.9 47,-3.1 -2,-0.3 2,-0.4 -0.988 7.3-150.4-136.4 143.8 -6.2 19.1 12.7 43 43 A R E -IJ 137 88E 37 94,-2.2 94,-1.4 -2,-0.3 2,-0.5 -0.965 8.4-165.4-123.5 138.3 -7.1 22.8 12.4 44 44 A Y E -IJ 136 87E 0 43,-2.4 43,-2.4 -2,-0.4 2,-0.3 -0.981 22.2-153.2-115.2 118.3 -7.5 25.1 9.4 45 45 A Y E + J 0 86E 4 90,-0.6 78,-2.5 -2,-0.5 2,-0.3 -0.704 24.3 148.8-101.3 143.1 -7.7 28.7 10.4 46 46 A F E - J 0 85E 0 39,-2.5 38,-2.1 -2,-0.3 39,-1.9 -0.912 40.7-106.0-155.9 178.2 -9.4 31.5 8.6 47 47 A K + 0 0 55 -2,-0.3 2,-0.3 70,-0.2 70,-0.2 -0.986 42.4 149.0-121.2 127.8 -11.2 34.8 8.8 48 48 A E - 0 0 21 -2,-0.5 -2,-0.1 2,-0.1 4,-0.1 -0.970 39.0-151.2-155.2 142.9 -14.9 35.2 8.2 49 49 A D S S+ 0 0 146 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.641 72.9 96.6 -85.4 -18.4 -17.7 37.4 9.5 50 50 A V S S- 0 0 24 1,-0.1 -2,-0.1 2,-0.1 2,-0.1 -0.282 84.3-101.7 -71.5 160.0 -20.4 34.8 9.0 51 51 A S > - 0 0 48 1,-0.1 3,-2.2 2,-0.0 -1,-0.1 -0.438 28.7-112.5 -79.0 159.2 -21.5 32.6 11.9 52 52 A I G > S+ 0 0 39 1,-0.3 3,-1.0 2,-0.2 22,-0.2 0.813 119.1 59.1 -61.8 -26.7 -20.2 29.1 12.1 53 53 A D G 3 S+ 0 0 137 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.416 93.7 67.7 -83.1 5.2 -23.7 27.8 11.5 54 54 A E G < S+ 0 0 97 -3,-2.2 57,-2.7 57,-0.0 58,-0.4 0.216 94.0 68.5-107.1 13.5 -23.7 29.7 8.1 55 55 A M E < -E 110 0A 13 -3,-1.0 2,-0.3 55,-0.3 55,-0.2 -0.905 61.6-160.5-128.3 158.0 -21.1 27.4 6.5 56 56 A N E -E 109 0A 66 53,-2.2 53,-2.6 -2,-0.3 2,-0.3 -0.968 5.5-160.8-137.8 153.9 -21.0 23.8 5.4 57 57 A W E -E 108 0A 73 -2,-0.3 2,-0.3 51,-0.2 51,-0.2 -0.886 4.3-167.6-131.9 162.0 -18.2 21.3 4.8 58 58 A A E -E 107 0A 31 49,-2.0 49,-2.0 -2,-0.3 2,-0.5 -0.986 11.5-151.8-150.2 143.5 -17.7 18.0 3.0 59 59 A V E +E 106 0A 16 -2,-0.3 47,-0.3 47,-0.2 3,-0.1 -0.976 13.2 178.7-113.6 127.8 -14.9 15.4 2.9 60 60 A Y E + 0 0 107 45,-2.0 2,-0.3 -2,-0.5 7,-0.2 0.710 63.4 20.0-102.2 -25.5 -14.6 13.4 -0.4 61 61 A F E -E 105 0A 102 44,-1.1 44,-2.2 6,-0.1 2,-0.4 -0.995 48.5-177.5-151.7 139.5 -11.7 11.1 0.2 62 62 A Y E > -E 104 0A 5 3,-0.5 3,-1.1 -2,-0.3 42,-0.2 -0.975 18.0-152.1-138.2 120.1 -9.8 9.6 3.2 63 63 A S T 3 S+ 0 0 46 40,-2.6 41,-0.1 -2,-0.4 3,-0.1 0.670 93.5 50.2 -70.2 -15.0 -6.9 7.3 2.4 64 64 A L T 3 S- 0 0 56 39,-0.3 2,-0.3 29,-0.1 -1,-0.2 0.403 125.2 -37.6-106.3 1.0 -7.2 5.3 5.6 65 65 A G S < S- 0 0 37 -3,-1.1 -3,-0.5 29,-0.1 2,-0.1 -0.964 94.3 -17.6 174.6-156.3 -10.9 4.5 5.4 66 66 A S > - 0 0 47 -2,-0.3 3,-2.0 1,-0.1 4,-0.2 -0.458 54.0-123.6 -72.4 148.4 -14.3 5.8 4.4 67 67 A E G > S+ 0 0 79 1,-0.3 3,-1.7 -7,-0.2 -6,-0.1 0.778 110.4 70.9 -62.0 -24.0 -14.8 9.5 4.0 68 68 A K G 3 S+ 0 0 157 1,-0.3 -1,-0.3 -8,-0.1 -8,-0.0 0.709 85.7 67.4 -64.7 -19.1 -17.6 9.1 6.6 69 69 A D G < S+ 0 0 44 -3,-2.0 23,-2.8 22,-0.1 2,-0.6 0.529 84.8 81.9 -79.5 -7.2 -14.8 8.5 9.2 70 70 A V E < -K 91 0E 1 -3,-1.7 2,-0.4 21,-0.2 21,-0.2 -0.904 64.2-173.7-101.6 117.1 -13.6 12.1 8.9 71 71 A Q E -K 90 0E 84 19,-2.4 19,-3.1 -2,-0.6 2,-0.3 -0.939 1.6-172.9-115.7 134.5 -15.7 14.5 10.9 72 72 A C E -K 89 0E 11 -2,-0.4 2,-0.3 17,-0.2 17,-0.2 -0.840 6.1-178.6-123.0 158.7 -15.3 18.3 10.9 73 73 A R E -K 88 0E 153 15,-1.6 15,-2.9 -2,-0.3 2,-0.3 -0.970 24.1-125.2-154.6 141.0 -16.8 21.2 12.8 74 74 A F E -K 87 0E 14 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.695 29.3-175.8 -87.5 142.0 -16.5 24.9 12.7 75 75 A Y E -K 86 0E 61 11,-2.6 11,-2.2 -2,-0.3 2,-0.3 -0.959 25.4-118.0-132.6 151.6 -15.4 26.9 15.8 76 76 A E E -K 85 0E 88 -2,-0.3 9,-0.3 9,-0.2 8,-0.0 -0.687 18.0-159.5 -82.6 144.7 -15.0 30.5 16.6 77 77 A L > - 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