==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CA-BINDING PROTEIN 05-MAY-09 3HBZ . COMPND 2 MOLECULE: PUTATIVE GLYCOSIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16174.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 32.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 5 1.5 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 . 27 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 6 6 4 4 1 1 1 1 1 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 . 3 1 1 1 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 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 0 A G 0 0 131 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-174.4 24.1 50.4 -25.7 2 21 A R - 0 0 105 1,-0.1 2,-0.0 2,-0.0 0, 0.0 -0.283 360.0 -96.4 -60.0 140.2 24.7 46.6 -25.1 3 22 A E - 0 0 147 1,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.314 28.1-151.4 -57.0 138.4 23.5 45.3 -21.7 4 23 A E S S+ 0 0 107 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.971 87.8 18.6 -81.5 -59.1 26.2 45.2 -19.1 5 24 A A S S- 0 0 89 2,-0.0 -1,-0.3 3,-0.0 -2,-0.0 -0.830 82.8-145.9-113.4 87.9 24.9 42.3 -17.0 6 25 A P - 0 0 87 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.300 19.5-126.2 -42.2 127.0 22.3 40.2 -19.0 7 26 A N - 0 0 91 1,-0.2 2,-1.2 2,-0.0 -2,-0.0 0.336 27.1-153.1 -71.4 14.0 19.6 39.0 -16.5 8 27 A A + 0 0 38 75,-0.0 -1,-0.2 2,-0.0 75,-0.1 -0.357 68.8 67.6 55.1 -91.0 20.0 35.3 -17.6 9 28 A E S S- 0 0 65 -2,-1.2 2,-0.3 -3,-0.1 68,-0.1 -0.251 80.5-131.2 -65.4 139.0 16.5 34.0 -16.7 10 29 A A - 0 0 1 66,-0.2 2,-0.3 73,-0.1 66,-0.2 -0.714 25.1-150.0 -96.5 142.3 13.5 35.3 -18.7 11 30 A D - 0 0 35 -2,-0.3 42,-1.7 66,-0.0 2,-0.6 -0.710 23.1-119.6-111.3 154.7 10.5 36.5 -16.9 12 31 A I E -A 52 0A 4 -2,-0.3 40,-0.2 40,-0.2 3,-0.1 -0.879 32.2-174.4 -80.4 122.7 6.8 36.8 -17.2 13 32 A L E + 0 0 101 38,-2.4 2,-0.3 -2,-0.6 39,-0.2 0.627 60.1 3.4 -99.9 -19.7 6.4 40.6 -17.0 14 33 A S E -A 51 0A 47 37,-1.1 37,-1.4 -3,-0.1 2,-0.3 -0.982 56.4-156.7-159.8 164.0 2.6 40.8 -16.9 15 34 A C E +A 50 0A 10 -2,-0.3 2,-0.3 35,-0.2 35,-0.2 -0.995 16.3 163.8-144.4 136.8 -0.6 38.8 -16.8 16 35 A R E -A 49 0A 136 33,-2.1 33,-3.0 -2,-0.3 -2,-0.0 -0.956 30.6-136.0-148.3 164.4 -4.1 39.5 -17.9 17 36 A L > - 0 0 8 3,-0.3 3,-2.2 -2,-0.3 5,-0.1 -0.908 27.3-136.6-121.4 97.2 -7.4 37.6 -18.6 18 37 A P T 3 S+ 0 0 52 0, 0.0 29,-0.2 0, 0.0 3,-0.1 -0.274 88.4 9.8 -55.1 133.4 -9.1 39.0 -21.7 19 38 A G T 3 S+ 0 0 92 1,-0.1 2,-0.4 0, 0.0 0, 0.0 0.424 109.3 95.4 74.0 -0.4 -12.8 39.3 -21.2 20 39 A V S < S- 0 0 44 -3,-2.2 2,-0.6 21,-0.0 -3,-0.3 -0.986 72.4-131.2-118.7 133.8 -12.7 38.6 -17.3 21 40 A V - 0 0 129 -2,-0.4 17,-0.6 -3,-0.1 2,-0.2 -0.723 19.9-147.3 -83.7 119.5 -12.5 41.5 -14.8 22 41 A X B -B 37 0B 48 -2,-0.6 15,-0.2 15,-0.1 3,-0.1 -0.612 9.5-138.0 -81.4 147.7 -9.8 40.8 -12.3 23 42 A T S S- 0 0 41 13,-2.4 2,-0.3 -2,-0.2 14,-0.1 0.702 81.4 -5.7 -86.7 -17.0 -10.6 42.2 -8.9 24 43 A T S S- 0 0 31 12,-0.6 12,-0.5 180,-0.1 -1,-0.2 -0.934 97.0 -66.1-163.4 166.0 -7.0 43.5 -8.3 25 44 A S - 0 0 81 -2,-0.3 -9,-0.1 228,-0.2 9,-0.1 -0.356 60.0 -98.1 -64.0 143.4 -3.7 43.4 -10.2 26 45 A P - 0 0 26 0, 0.0 2,-0.7 0, 0.0 9,-0.2 -0.285 33.4-128.5 -58.3 143.2 -2.0 40.1 -10.5 27 46 A I E -C 34 0C 34 7,-2.3 7,-1.8 -3,-0.1 2,-0.5 -0.886 27.9-168.7-101.9 111.5 0.7 39.5 -7.9 28 47 A I E +C 33 0C 63 -2,-0.7 5,-0.2 5,-0.2 2,-0.2 -0.877 11.1 170.1-104.0 126.0 3.9 38.4 -9.6 29 48 A T - 0 0 69 3,-2.9 3,-0.1 -2,-0.5 159,-0.0 -0.497 56.8 -75.9-112.6-167.4 6.9 37.1 -7.7 30 49 A N S S+ 0 0 106 1,-0.2 -18,-0.2 -2,-0.2 3,-0.0 0.830 126.7 6.2 -58.7 -36.9 10.0 35.4 -9.0 31 50 A N S S+ 0 0 71 -20,-0.1 57,-2.2 56,-0.1 2,-0.3 0.124 120.9 63.6-137.6 16.6 8.3 32.1 -9.8 32 51 A S E - d 0 88C 21 55,-0.3 -3,-2.9 -3,-0.1 2,-0.4 -0.995 48.3-163.4-148.1 149.5 4.5 32.6 -9.1 33 52 A I E -Cd 28 89C 0 55,-2.2 57,-2.6 -2,-0.3 2,-0.5 -0.997 6.3-163.3-129.0 131.8 1.5 34.5 -10.2 34 53 A N E -Cd 27 90C 7 -7,-1.8 -7,-2.3 -2,-0.4 2,-0.4 -0.989 10.1-166.8-113.8 120.3 -1.7 34.9 -8.2 35 54 A I E - d 0 91C 0 55,-2.7 57,-3.1 -2,-0.5 2,-0.5 -0.897 7.8-149.7-107.6 132.6 -4.7 36.1 -10.3 36 55 A F E + d 0 92C 18 -12,-0.5 -13,-2.4 -2,-0.4 -12,-0.6 -0.924 19.9 169.8-113.1 125.8 -7.8 37.4 -8.5 37 56 A V B -B 22 0B 3 55,-2.5 -15,-0.1 -2,-0.5 3,-0.1 -0.846 40.8 -84.7-126.8 162.4 -11.3 37.0 -9.9 38 57 A G > - 0 0 13 -17,-0.6 3,-2.4 -2,-0.3 57,-0.1 -0.378 52.9 -94.1 -66.5 141.0 -14.8 37.6 -8.4 39 58 A P T 3 S+ 0 0 67 0, 0.0 55,-0.1 0, 0.0 -1,-0.1 -0.340 116.5 35.4 -50.5 132.1 -16.5 34.8 -6.5 40 59 A G T 3 S+ 0 0 78 53,-0.5 2,-0.1 1,-0.4 -2,-0.1 0.229 82.5 135.3 98.1 -14.3 -18.7 32.9 -9.0 41 60 A T < - 0 0 42 -3,-2.4 2,-0.6 52,-0.2 -1,-0.4 -0.479 63.3-114.7 -63.3 139.8 -16.3 33.4 -12.0 42 61 A D + 0 0 112 1,-0.1 3,-0.2 -2,-0.1 -1,-0.1 -0.700 36.3 176.9 -75.5 118.4 -15.9 30.1 -14.0 43 62 A I > + 0 0 3 -2,-0.6 25,-2.6 1,-0.1 3,-0.6 0.343 54.1 95.2-107.1 9.5 -12.2 29.1 -13.6 44 63 A S T 3 S+ 0 0 55 23,-0.2 -1,-0.1 1,-0.2 25,-0.0 0.565 99.7 21.6 -72.9 -15.2 -12.4 25.8 -15.5 45 64 A S T 3 S+ 0 0 80 -3,-0.2 -1,-0.2 22,-0.1 22,-0.2 -0.141 77.6 152.9-155.4 52.4 -11.2 27.3 -18.7 46 65 A L B < -G 66 0D 10 20,-1.4 20,-2.7 -3,-0.6 -3,-0.1 -0.567 28.4-155.2 -87.2 150.8 -9.3 30.6 -18.2 47 66 A A - 0 0 35 18,-0.2 18,-0.2 -2,-0.2 -31,-0.1 -0.638 11.3-161.3-131.4 70.0 -6.7 31.7 -20.8 48 67 A P - 0 0 0 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.221 5.5-150.9 -52.6 137.4 -4.2 34.0 -19.2 49 68 A E E -A 16 0A 76 -33,-3.0 -33,-2.1 13,-0.2 2,-0.3 -0.947 15.6-164.9-113.9 138.8 -2.1 36.1 -21.6 50 69 A F E -A 15 0A 19 -2,-0.4 2,-0.4 -35,-0.2 -35,-0.2 -0.789 20.9-140.6-119.7 156.2 1.4 37.2 -20.7 51 70 A T E -A 14 0A 71 -37,-1.4 -38,-2.4 -2,-0.3 -37,-1.1 -0.903 33.1-166.0-105.3 152.0 4.1 39.6 -21.7 52 71 A L E -A 12 0A 45 -2,-0.4 -40,-0.2 -40,-0.2 3,-0.1 -0.860 31.3 -77.0-131.6 162.2 7.6 38.2 -21.6 53 72 A T S > S- 0 0 30 -42,-1.7 3,-2.6 -2,-0.3 -43,-0.1 -0.403 72.9 -84.4 -50.0 132.4 11.2 39.2 -21.7 54 73 A P T 3 S+ 0 0 116 0, 0.0 25,-0.3 0, 0.0 -1,-0.1 -0.132 115.0 13.5 -51.1 132.4 12.1 40.0 -25.3 55 74 A G T 3 S+ 0 0 58 1,-0.3 2,-0.1 -3,-0.1 -2,-0.1 0.309 98.6 123.6 85.0 -9.8 13.0 36.8 -27.2 56 75 A A < - 0 0 14 -3,-2.6 2,-0.3 22,-0.1 -1,-0.3 -0.389 45.9-151.6 -76.0 161.4 11.6 34.4 -24.6 57 76 A T E -E 77 0C 88 20,-2.6 20,-2.8 -3,-0.1 2,-0.4 -0.941 3.2-145.5-127.6 159.8 9.0 31.8 -25.2 58 77 A I E -E 76 0C 18 -2,-0.3 18,-0.2 18,-0.2 4,-0.2 -0.962 16.7-122.9-128.8 142.2 6.5 30.2 -22.8 59 78 A D E S+E 75 0C 112 16,-2.3 16,-2.8 -2,-0.4 -2,-0.0 -0.995 101.9 29.4-132.4 120.3 5.1 26.6 -22.7 60 79 A P S S- 0 0 25 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.667 115.7-107.4 -71.4 168.4 2.3 26.2 -23.0 61 80 A P > - 0 0 81 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 -0.184 37.6 -83.2 -70.1 159.2 1.9 29.4 -25.1 62 81 A S T 3 S+ 0 0 52 1,-0.3 -13,-0.2 -4,-0.2 -4,-0.0 -0.273 117.1 29.8 -52.3 136.0 0.3 32.6 -23.9 63 82 A G T 3 S+ 0 0 29 -15,-2.7 2,-0.3 1,-0.3 -1,-0.3 0.555 80.3 149.2 85.9 7.5 -3.5 32.4 -24.2 64 83 A T < - 0 0 45 -3,-1.6 2,-0.3 -16,-0.4 -1,-0.3 -0.631 47.4-126.4 -71.5 131.9 -3.8 28.7 -23.6 65 84 A A + 0 0 57 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.626 40.3 167.4 -77.2 133.7 -7.1 27.8 -21.9 66 85 A R B -G 46 0D 52 -20,-2.7 -20,-1.4 -2,-0.3 2,-0.7 -0.950 41.7-104.1-145.6 166.2 -6.6 25.7 -18.8 67 86 A D > - 0 0 78 -2,-0.3 3,-0.6 -22,-0.2 -23,-0.2 -0.835 28.4-174.1 -94.4 111.1 -8.4 24.5 -15.7 68 87 A F T 3 + 0 0 4 -25,-2.6 23,-0.5 -2,-0.7 -24,-0.2 0.171 55.3 109.5-100.0 17.6 -7.3 26.6 -12.7 69 88 A H T 3 S+ 0 0 103 -26,-0.2 -1,-0.2 1,-0.1 -25,-0.1 0.891 96.5 27.6 -50.4 -36.5 -9.2 24.6 -10.1 70 89 A S S < S- 0 0 75 -3,-0.6 -1,-0.1 51,-0.1 51,-0.1 -0.928 111.0 -88.6-121.0 153.8 -5.5 23.7 -9.2 71 90 A P - 0 0 71 0, 0.0 2,-0.4 0, 0.0 19,-0.2 -0.265 43.1-144.8 -62.4 149.2 -2.5 25.9 -9.9 72 91 A Q E - F 0 89C 43 17,-2.7 17,-3.2 -4,-0.1 2,-0.4 -0.919 5.6-135.2-121.6 140.0 -1.0 25.4 -13.3 73 92 A Q E - F 0 88C 96 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.768 17.4-175.1-100.3 141.6 2.7 25.6 -14.3 74 93 A Y E - F 0 87C 0 13,-2.4 13,-3.0 -2,-0.4 2,-0.5 -0.977 14.4-144.1-126.7 147.0 4.3 27.3 -17.2 75 94 A T E -EF 59 86C 40 -16,-2.8 -16,-2.3 -2,-0.3 2,-0.5 -0.954 7.4-159.1-114.5 127.8 7.9 27.3 -18.3 76 95 A V E -EF 58 85C 0 9,-2.6 9,-2.4 -2,-0.5 2,-0.5 -0.879 8.1-163.3-102.2 128.0 9.6 30.4 -19.8 77 96 A T E -EF 57 84C 22 -20,-2.8 -20,-2.6 -2,-0.5 7,-0.2 -0.971 18.2-124.2-112.5 130.2 12.7 29.7 -21.9 78 97 A A > - 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