==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-FEB-11 2Y8K . COMPND 2 MOLECULE: CARBOHYDRATE BINDING FAMILY 6; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR S.J.FIRBANK,M.A.CORREIA,K.MAZUMDER,J.L.BRAS,Y.ZHU,R.J.LEWIS, . 480 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18543.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 38 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 1 0 0 1 0 0 1 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 2 2 1 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 PARALLEL BRIDGES PER LADDER . 3 5 2 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 1 0 1 0 1 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 35 A A 0 0 152 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.5 -35.6 27.0 4.8 2 36 A S + 0 0 128 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.640 360.0 100.0 -87.1 -20.1 -33.5 30.1 5.6 3 37 A S - 0 0 67 1,-0.1 87,-0.0 2,-0.1 86,-0.0 -0.465 69.5-140.3 -64.7 141.3 -30.4 28.4 6.9 4 38 A P + 0 0 68 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.603 64.9 120.2 -74.9 -12.1 -27.6 28.3 4.3 5 39 A Q - 0 0 54 1,-0.1 2,-0.1 87,-0.1 84,-0.1 -0.312 65.8-122.7 -60.9 128.0 -26.7 24.7 5.4 6 40 A R - 0 0 15 87,-0.3 124,-0.1 83,-0.2 -1,-0.1 -0.415 23.5-114.0 -70.0 143.2 -27.0 22.2 2.6 7 41 A G - 0 0 27 1,-0.2 14,-0.4 -2,-0.1 -1,-0.1 -0.289 51.1 -72.1 -68.0 159.2 -29.3 19.2 3.1 8 42 A R - 0 0 33 12,-0.1 -1,-0.2 1,-0.1 121,-0.2 -0.238 50.0-119.3 -55.4 135.9 -27.7 15.7 3.2 9 43 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 11,-0.2 -0.475 35.8-165.0 -68.8 152.2 -26.4 14.4 -0.1 10 44 A R E -A 19 0A 161 9,-2.5 9,-3.0 10,-0.1 2,-0.1 -0.917 28.8 -88.6-134.7 159.9 -28.0 11.3 -1.3 11 45 A L E -A 18 0A 29 201,-0.5 7,-0.2 -2,-0.3 204,-0.0 -0.491 51.2-118.5 -64.8 138.5 -27.4 8.6 -3.7 12 46 A N > - 0 0 33 5,-2.1 3,-1.5 -2,-0.1 -1,-0.1 -0.248 25.8-102.9 -73.0 167.3 -29.0 9.5 -7.1 13 47 A A T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.874 124.6 53.9 -59.6 -36.3 -31.7 7.5 -8.6 14 48 A A T 3 S- 0 0 77 1,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.558 105.3-133.0 -71.9 -11.7 -29.2 5.9 -11.1 15 49 A R S < S+ 0 0 67 -3,-1.5 -2,-0.1 2,-0.2 3,-0.1 0.877 70.6 121.7 54.5 43.4 -27.0 4.9 -8.1 16 50 A T S S- 0 0 20 1,-0.3 225,-2.5 224,-0.2 2,-0.3 0.720 76.7 -28.0 -98.6 -28.8 -23.9 6.3 -9.7 17 51 A T S S- 0 0 1 223,-0.3 -5,-2.1 253,-0.1 2,-0.5 -0.955 73.0 -69.6-165.9 178.0 -22.9 8.8 -7.0 18 52 A F E -A 11 0A 0 223,-0.3 8,-0.7 -2,-0.3 2,-0.3 -0.803 46.7-170.4 -85.3 128.1 -23.9 11.1 -4.2 19 53 A V E -AB 10 25A 16 -9,-3.0 -9,-2.5 -2,-0.5 5,-0.1 -0.845 17.4-115.0-115.0 157.8 -25.8 14.2 -5.3 20 54 A G > - 0 0 9 4,-2.8 3,-2.2 -2,-0.3 -10,-0.1 -0.031 43.5 -76.4 -81.9-169.8 -26.7 17.3 -3.3 21 55 A D T 3 S+ 0 0 86 -14,-0.4 -1,-0.1 1,-0.3 -13,-0.1 0.187 131.2 49.7 -80.0 12.5 -30.0 18.8 -2.2 22 56 A N T 3 S- 0 0 70 2,-0.2 -1,-0.3 -15,-0.1 -2,-0.0 0.107 120.0-105.8-125.5 17.8 -30.6 20.2 -5.7 23 57 A G S < S+ 0 0 44 -3,-2.2 -2,-0.1 1,-0.2 -11,-0.0 0.405 80.4 126.1 77.4 -2.0 -29.9 16.8 -7.5 24 58 A Q - 0 0 70 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.2 -0.591 64.6 -99.1 -96.4 152.1 -26.5 18.0 -8.8 25 59 A P B -B 19 0A 20 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.169 36.6-110.0 -57.6 155.0 -23.1 16.3 -8.4 26 60 A L + 0 0 0 -8,-0.7 246,-2.4 26,-0.1 2,-0.4 -0.770 40.8 177.3 -82.9 130.7 -20.7 17.5 -5.8 27 61 A R E +c 272 0B 12 -2,-0.4 26,-2.5 244,-0.2 27,-1.3 -0.990 15.7 130.6-138.1 129.5 -17.7 19.3 -7.4 28 62 A G E -c 273 0B 0 244,-1.7 246,-2.5 -2,-0.4 27,-0.2 -0.998 44.9-118.7-169.7 168.4 -14.9 20.9 -5.4 29 63 A P E - 0 0 0 0, 0.0 27,-2.6 0, 0.0 2,-0.3 -0.157 40.9-107.5 -96.7-164.6 -11.2 21.5 -4.6 30 64 A Y E -cd 277 56B 3 246,-2.2 248,-1.9 25,-0.2 2,-0.3 -0.846 24.3-175.9-127.6 166.0 -9.4 20.7 -1.3 31 65 A T E - d 0 57B 4 25,-2.6 27,-2.3 -2,-0.3 2,-0.4 -0.897 15.8-139.4-147.2 174.3 -7.9 22.2 1.8 32 66 A S E + d 0 58B 10 249,-0.3 27,-0.2 -2,-0.3 7,-0.1 -1.000 25.1 178.8-141.6 139.9 -6.1 20.9 4.8 33 67 A T + 0 0 2 25,-2.0 26,-0.2 -2,-0.4 47,-0.1 0.012 58.7 112.7-115.6 19.8 -6.0 21.4 8.6 34 68 A E S S- 0 0 16 24,-0.6 27,-0.4 1,-0.2 25,-0.1 0.853 104.5 -11.1 -65.1 -37.5 -3.3 18.7 9.0 35 69 A W S S+ 0 0 148 2,-0.1 2,-0.3 25,-0.1 -1,-0.2 0.186 127.7 66.7-146.1 14.1 -0.6 21.2 10.0 36 70 A T S S- 0 0 40 1,-0.0 3,-0.1 245,-0.0 44,-0.1 -0.895 83.6 -91.9-131.5 163.8 -2.1 24.6 9.3 37 71 A A - 0 0 67 -2,-0.3 -5,-0.2 1,-0.2 -2,-0.1 -0.283 60.6 -79.0 -60.5 158.7 -4.9 26.8 10.4 38 72 A A - 0 0 9 1,-0.1 -1,-0.2 -5,-0.1 -5,-0.1 -0.377 54.9-101.6 -56.2 133.4 -8.3 26.6 8.7 39 73 A A - 0 0 3 -7,-0.1 -1,-0.1 1,-0.1 -8,-0.0 -0.302 50.8 -95.5 -54.5 142.0 -8.4 28.4 5.4 40 74 A P >> - 0 0 47 0, 0.0 4,-2.4 0, 0.0 3,-0.9 -0.249 24.6-117.3 -68.0 152.6 -10.1 31.8 5.8 41 75 A Y H 3> S+ 0 0 83 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.884 113.7 55.4 -49.3 -47.9 -13.8 32.3 5.0 42 76 A D H 34 S+ 0 0 99 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.807 110.6 45.0 -63.0 -31.0 -13.1 34.8 2.3 43 77 A Q H X4 S+ 0 0 37 -3,-0.9 3,-1.1 2,-0.2 4,-0.4 0.888 111.8 50.5 -78.3 -43.2 -10.8 32.3 0.4 44 78 A I H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 4,-0.4 0.914 103.8 62.0 -59.3 -38.0 -13.2 29.3 0.8 45 79 A A G >< S+ 0 0 28 -4,-2.7 3,-1.3 1,-0.3 4,-0.4 0.774 87.9 71.6 -58.8 -26.8 -15.9 31.6 -0.6 46 80 A R G X S+ 0 0 105 -3,-1.1 3,-1.1 -4,-0.4 4,-0.4 0.760 82.1 72.0 -63.7 -22.8 -14.0 31.9 -3.8 47 81 A V G X >S+ 0 0 2 -3,-1.9 5,-2.0 -4,-0.4 3,-1.2 0.841 88.3 62.7 -62.9 -29.4 -14.8 28.3 -4.7 48 82 A K G X 5S+ 0 0 45 -3,-1.3 3,-0.6 -4,-0.4 260,-0.3 0.777 102.1 48.9 -66.7 -28.0 -18.4 29.3 -5.3 49 83 A E G < 5S+ 0 0 118 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.416 103.6 62.3 -92.6 -0.3 -17.4 31.6 -8.2 50 84 A L G < 5S- 0 0 29 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.074 123.8 -98.4-107.8 19.7 -15.3 28.8 -9.7 51 85 A G T < 5S+ 0 0 2 -3,-0.6 256,-0.3 257,-0.3 2,-0.2 0.592 81.6 132.0 83.4 8.2 -18.3 26.5 -10.3 52 86 A F < + 0 0 0 -5,-2.0 -1,-0.3 254,-0.1 256,-0.2 -0.585 35.4 177.4 -96.8 157.3 -17.8 24.4 -7.1 53 87 A N + 0 0 3 -26,-2.5 41,-2.7 -2,-0.2 2,-0.3 0.233 65.9 52.4-134.2 11.8 -20.2 23.4 -4.3 54 88 A A E - e 0 94B 0 -27,-1.3 2,-0.4 39,-0.3 41,-0.2 -0.964 58.0-149.0-149.8 156.8 -18.0 21.2 -2.2 55 89 A V E - e 0 95B 0 39,-1.9 41,-2.6 -2,-0.3 2,-0.5 -0.999 12.0-143.7-132.3 133.1 -14.7 21.1 -0.3 56 90 A H E -de 30 96B 1 -27,-2.6 -25,-2.6 -2,-0.4 2,-0.6 -0.843 20.9-161.0 -90.7 125.6 -12.4 18.2 0.4 57 91 A L E -de 31 97B 0 39,-3.1 41,-2.6 -2,-0.5 2,-1.1 -0.935 19.2-161.1-112.5 116.7 -10.8 18.4 3.8 58 92 A Y E -de 32 98B 8 -27,-2.3 -25,-2.0 -2,-0.6 -24,-0.6 -0.851 26.1-176.7 -82.8 99.2 -7.7 16.5 4.8 59 93 A A E - 0 0 0 39,-2.6 2,-0.3 -2,-1.1 -1,-0.2 0.910 53.8 -10.8 -75.9 -49.4 -8.5 17.1 8.4 60 94 A E E - e 0 99B 0 38,-0.6 40,-2.8 -3,-0.1 2,-0.4 -0.967 65.7-124.7-144.6 152.4 -5.6 15.5 10.3 61 95 A C E - e 0 100B 10 -27,-0.4 40,-0.2 -2,-0.3 38,-0.0 -0.875 31.0-115.9-103.1 141.1 -2.7 13.3 9.2 62 96 A F - 0 0 5 38,-1.9 42,-0.1 -2,-0.4 11,-0.1 -0.275 17.0-132.5 -69.6 156.9 -2.2 10.0 10.9 63 97 A D > - 0 0 24 9,-0.3 3,-1.5 1,-0.1 49,-0.1 -0.958 3.9-156.7-111.8 116.0 1.0 9.2 13.0 64 98 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 0.761 94.1 59.1 -59.8 -22.4 2.5 5.8 12.2 65 99 A R T > S+ 0 0 201 2,-0.1 3,-2.4 -3,-0.1 6,-0.2 0.594 86.1 154.9 -81.1 -16.6 4.1 5.9 15.7 66 100 A Y T < + 0 0 39 -3,-1.5 46,-0.2 1,-0.3 45,-0.1 -0.353 56.9 20.6 -63.5 138.8 0.8 6.2 17.6 67 101 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.837 98.5 107.0 -99.2 31.6 0.2 5.3 20.4 68 102 A A S X S- 0 0 48 -3,-2.4 3,-2.1 1,-0.2 -3,-0.1 -0.124 87.1 -71.9 -64.2 159.5 3.9 5.4 21.4 69 103 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.249 121.5 18.1 -52.9 134.5 5.2 8.2 23.6 70 104 A G T 3 S+ 0 0 89 1,-0.3 -4,-0.1 -3,-0.1 -2,-0.1 0.291 92.7 135.5 86.0 -7.7 5.5 11.6 21.8 71 105 A S < - 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