==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-AUG-11 3TC9 . COMPND 2 MOLECULE: HYPOTHETICAL HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 843 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37489.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 583 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 355 42.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 76 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.3 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 . 3 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 PARALLEL BRIDGES PER LADDER . 10 8 6 2 33 7 0 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 . 4 0 8 8 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 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 37 A G 0 0 70 0, 0.0 2,-0.3 0, 0.0 54,-0.1 0.000 360.0 360.0 360.0 128.1 107.0 22.9 62.0 2 38 A D - 0 0 152 31,-0.2 31,-0.3 32,-0.1 2,-0.2 -0.694 360.0-103.2 -93.9 147.7 105.4 25.0 64.8 3 39 A F - 0 0 50 -2,-0.3 29,-0.1 29,-0.2 -1,-0.1 -0.519 28.9-153.6 -71.8 133.5 104.8 28.8 64.3 4 40 A D > - 0 0 59 -2,-0.2 3,-1.9 1,-0.1 -1,-0.0 -0.943 4.5-157.8-109.8 110.3 107.3 31.0 66.1 5 41 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.707 91.7 56.6 -59.1 -21.4 105.8 34.4 67.0 6 42 A N T 3 S+ 0 0 150 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.270 97.0 76.7 -94.9 13.2 109.3 36.0 67.2 7 43 A K S < S- 0 0 127 -3,-1.9 -3,-0.1 24,-0.1 0, 0.0 -0.938 85.4-107.2-122.8 144.2 110.3 35.0 63.7 8 44 A P - 0 0 97 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.226 25.2-127.8 -65.2 159.7 109.3 36.6 60.4 9 45 A V - 0 0 9 76,-0.3 2,-0.3 64,-0.1 22,-0.2 -0.908 33.7-175.4-107.9 127.5 106.9 34.9 58.0 10 46 A V E -A 30 0A 49 20,-1.8 20,-2.7 -2,-0.4 2,-0.5 -0.998 24.7-150.6-133.7 140.7 108.3 34.6 54.4 11 47 A I E +A 29 0A 20 -2,-0.3 18,-0.3 76,-0.3 78,-0.2 -0.946 17.9 172.6-107.0 117.3 107.0 33.4 51.0 12 48 A S E - 0 0 78 16,-1.9 2,-0.3 -2,-0.5 17,-0.2 0.787 63.2 -21.1 -95.2 -37.2 109.8 32.1 48.9 13 49 A E E -A 28 0A 119 15,-1.2 15,-3.6 2,-0.0 -1,-0.4 -0.985 50.8-151.9-167.2 163.4 107.7 30.7 46.0 14 50 A F E -A 27 0A 26 -2,-0.3 13,-0.2 13,-0.2 11,-0.0 -0.988 22.1-119.7-141.3 151.0 104.4 29.4 44.8 15 51 A S E S+A 26 0A 60 11,-2.2 11,-3.1 -2,-0.3 2,-0.2 -0.993 79.3 32.2-149.3 148.7 103.1 26.9 42.1 16 52 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 0.633 64.0-156.7 -73.3 159.4 101.5 26.6 39.7 17 53 A K S S+ 0 0 84 -2,-0.2 76,-2.7 75,-0.1 2,-0.3 0.699 78.7 37.1 -71.6 -23.8 102.2 30.2 38.4 18 54 A E E S+d 93 0B 65 74,-0.2 2,-0.3 76,-0.0 76,-0.2 -0.936 72.0 98.0-133.7 152.1 98.9 30.0 36.3 19 55 A G E -d 94 0B 19 74,-2.2 76,-3.0 -2,-0.3 2,-0.2 -0.963 43.1-129.4 164.8-154.2 95.4 28.5 36.8 20 56 A G > + 0 0 10 -2,-0.3 3,-2.0 74,-0.3 42,-0.2 -0.699 59.0 0.3-157.0-149.8 91.9 29.6 37.8 21 57 A L T 3 S+ 0 0 60 74,-0.4 -1,-0.1 1,-0.3 43,-0.1 -0.271 127.5 10.2 -56.7 126.9 89.0 28.8 40.1 22 58 A G T 3 S+ 0 0 45 40,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.456 83.8 154.3 81.1 3.5 89.7 25.7 42.3 23 59 A T < - 0 0 31 -3,-2.0 39,-3.0 39,-0.2 2,-0.8 -0.503 46.4-127.7 -64.5 131.2 93.5 25.5 41.4 24 60 A R E - B 0 61A 144 37,-0.2 2,-0.3 -2,-0.2 37,-0.2 -0.758 31.2-160.5 -81.6 106.7 95.4 23.7 44.2 25 61 A X E - B 0 60A 0 35,-2.7 35,-2.0 -2,-0.8 2,-0.5 -0.730 10.4-151.1 -95.2 144.4 98.2 26.1 45.0 26 62 A L E -AB 15 59A 26 -11,-3.1 -11,-2.2 -2,-0.3 2,-0.5 -0.978 12.1-163.9-114.7 120.5 101.5 25.1 46.8 27 63 A L E -AB 14 58A 0 31,-3.1 31,-1.8 -2,-0.5 2,-0.3 -0.939 1.5-163.0-110.4 121.2 103.1 28.0 48.8 28 64 A Y E +AB 13 57A 102 -15,-3.6 -16,-1.9 -2,-0.5 -15,-1.2 -0.795 36.9 95.0 -99.8 149.8 106.8 27.6 50.0 29 65 A G E -A 11 0A 10 27,-2.4 2,-0.3 -2,-0.3 -18,-0.3 -0.925 61.4 -61.4 171.8-144.1 108.3 29.8 52.6 30 66 A E E S+A 10 0A 108 -20,-2.7 -20,-1.8 -2,-0.3 26,-0.2 -1.000 89.8 8.6-143.2 147.3 109.1 30.0 56.3 31 67 A N + 0 0 23 -2,-0.3 25,-0.2 -22,-0.2 -1,-0.1 0.871 67.2 137.6 56.7 48.8 107.4 30.0 59.7 32 68 A F - 0 0 3 23,-2.6 3,-0.2 1,-0.2 -29,-0.2 0.689 51.8-143.8 -86.3 -24.8 103.8 29.2 58.6 33 69 A G - 0 0 2 22,-0.3 22,-1.9 -31,-0.3 -31,-0.2 -0.211 21.0 -96.4 78.4-177.2 103.2 26.7 61.5 34 70 A S S S+ 0 0 53 20,-0.2 2,-0.8 21,-0.1 19,-0.2 0.278 89.8 103.9-122.4 13.2 101.2 23.6 61.0 35 71 A D > - 0 0 76 -3,-0.2 3,-1.6 1,-0.2 4,-0.1 -0.842 50.8-165.7-104.2 105.3 97.8 24.8 62.3 36 72 A I G > S+ 0 0 79 -2,-0.8 3,-1.4 1,-0.3 14,-0.2 0.788 85.3 63.6 -56.9 -35.5 95.5 25.4 59.3 37 73 A S G 3 S+ 0 0 85 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.685 101.5 50.7 -67.4 -19.5 93.0 27.4 61.5 38 74 A K G < S+ 0 0 67 -3,-1.6 38,-2.9 -6,-0.1 2,-0.4 0.245 93.8 88.1-105.0 14.4 95.6 30.1 62.2 39 75 A I E < -E 75 0C 13 -3,-1.4 2,-0.5 36,-0.2 11,-0.3 -0.948 52.5-172.6-115.8 129.9 96.6 30.7 58.6 40 76 A K E -E 74 0C 76 34,-3.0 34,-2.6 -2,-0.4 2,-0.4 -0.976 2.7-174.6-122.7 117.7 94.8 33.3 56.4 41 77 A V E -EF 73 48C 0 7,-0.7 7,-2.8 -2,-0.5 2,-0.4 -0.937 3.0-169.3-111.8 133.6 95.6 33.5 52.6 42 78 A T E -EF 72 47C 30 30,-2.7 30,-3.0 -2,-0.4 2,-0.5 -0.995 1.0-171.9-121.6 123.5 94.1 36.2 50.4 43 79 A I E > S-EF 71 46C 0 3,-2.8 3,-1.8 -2,-0.4 28,-0.2 -0.991 77.6 -12.5-119.6 120.4 94.5 35.9 46.6 44 80 A G T 3 S- 0 0 7 26,-2.3 24,-0.3 -2,-0.5 23,-0.2 0.825 130.2 -54.7 57.7 36.3 93.3 38.9 44.5 45 81 A G T 3 S+ 0 0 59 25,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.395 117.5 112.4 78.0 3.0 91.5 40.3 47.6 46 82 A Q E < S-F 43 0C 76 -3,-1.8 -3,-2.8 17,-0.1 -1,-0.2 -0.887 74.9-105.3-111.5 140.4 89.6 37.1 48.1 47 83 A D E -F 42 0C 95 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.403 31.5-158.6 -64.7 127.5 89.8 34.5 51.0 48 84 A S E -F 41 0C 2 -7,-2.8 -7,-0.7 -2,-0.2 2,-0.3 -0.953 19.3-123.5-112.4 117.3 91.6 31.3 49.9 49 85 A K - 0 0 159 -2,-0.5 12,-1.5 12,-0.4 2,-0.4 -0.509 19.3-137.9 -68.7 122.5 90.9 28.1 52.0 50 86 A V E +C 60 0A 18 -2,-0.3 10,-0.3 -11,-0.3 3,-0.1 -0.699 25.1 175.8 -81.5 127.2 94.2 26.6 53.4 51 87 A V E + 0 0 67 8,-2.9 2,-0.3 -2,-0.4 9,-0.2 0.518 63.1 18.3-115.7 -11.6 94.0 22.8 53.1 52 88 A G E -C 59 0A 16 7,-1.4 7,-2.3 -16,-0.1 -1,-0.4 -0.974 55.9-174.0-158.8 148.0 97.4 21.8 54.3 53 89 A A E +C 58 0A 17 -2,-0.3 5,-0.2 5,-0.2 -17,-0.1 -0.926 13.3 166.8-150.7 124.4 100.3 23.3 56.4 54 90 A K - 0 0 144 3,-2.9 2,-1.5 -2,-0.3 -20,-0.2 0.041 57.8-106.7-123.9 23.9 103.8 21.8 57.1 55 91 A G S S+ 0 0 8 -22,-1.9 -23,-2.6 2,-0.4 -22,-0.3 -0.341 118.7 42.1 83.8 -56.2 105.7 24.9 58.5 56 92 A K S S+ 0 0 106 -2,-1.5 -27,-2.4 -26,-0.2 2,-0.3 0.462 124.7 30.7 -99.3 -8.3 107.8 25.5 55.4 57 93 A S E -B 28 0A 14 -29,-0.2 -3,-2.9 -24,-0.2 -2,-0.4 -0.959 59.9-173.6-147.1 160.1 104.9 24.8 53.0 58 94 A L E -BC 27 53A 0 -31,-1.8 -31,-3.1 -2,-0.3 2,-0.4 -0.969 15.5-141.1-151.6 153.3 101.1 25.2 52.7 59 95 A Y E +BC 26 52A 71 -7,-2.3 -8,-2.9 -2,-0.3 -7,-1.4 -0.969 26.0 167.5-113.8 135.6 98.4 24.2 50.3 60 96 A C E -BC 25 50A 0 -35,-2.0 -35,-2.7 -2,-0.4 2,-0.5 -0.895 32.0-118.2-141.3 168.6 95.5 26.5 49.5 61 97 A V E -B 24 0A 50 -12,-1.5 -12,-0.4 -2,-0.3 -37,-0.2 -0.964 27.8-120.3-117.0 124.0 92.7 26.6 46.9 62 98 A V - 0 0 1 -39,-3.0 -40,-2.8 -2,-0.5 -39,-0.2 -0.492 36.8-144.7 -62.4 118.5 92.4 29.5 44.4 63 99 A P > - 0 0 25 0, 0.0 3,-1.0 0, 0.0 -40,-0.1 -0.351 23.9 -82.6 -80.2 173.7 88.9 31.0 45.1 64 100 A A T 3 S+ 0 0 36 1,-0.2 -44,-0.0 -43,-0.1 0, 0.0 -0.424 112.8 24.7 -66.9 146.6 86.5 32.6 42.6 65 101 A K T 3 S+ 0 0 114 1,-0.1 2,-0.5 -2,-0.1 3,-0.4 0.442 75.2 132.8 75.4 9.8 87.1 36.4 41.7 66 102 A A X + 0 0 0 -3,-1.0 3,-1.8 1,-0.2 -21,-0.1 0.021 23.9 140.4 -79.9 32.4 90.9 36.2 42.6 67 103 A Y T 3 + 0 0 46 -2,-0.5 27,-0.6 1,-0.3 -1,-0.2 0.737 60.4 56.4 -51.1 -44.0 91.6 38.0 39.2 68 104 A D T 3 S- 0 0 112 -3,-0.4 -1,-0.3 -24,-0.3 3,-0.1 0.719 90.1-149.5 -64.2 -25.6 94.4 40.3 40.4 69 105 A G < + 0 0 0 -3,-1.8 23,-3.0 1,-0.2 2,-0.4 0.506 39.9 152.4 67.7 6.6 96.4 37.2 41.6 70 106 A D - 0 0 32 21,-0.2 -26,-2.3 1,-0.0 2,-0.6 -0.577 35.1-146.7 -70.0 122.0 98.0 39.3 44.4 71 107 A I E +E 43 0C 0 19,-0.4 17,-2.7 -2,-0.4 2,-0.4 -0.853 20.7 175.7-103.6 120.3 98.9 36.8 47.3 72 108 A K E -EG 42 87C 87 -30,-3.0 -30,-2.7 -2,-0.6 2,-0.4 -0.927 8.1-165.9-117.4 142.0 98.8 37.9 50.9 73 109 A L E -EG 41 86C 0 13,-2.2 13,-2.1 -2,-0.4 2,-0.4 -0.998 5.4-177.5-131.2 134.8 99.4 35.7 53.9 74 110 A S E -EG 40 85C 10 -34,-2.6 -34,-3.0 -2,-0.4 2,-0.4 -0.988 18.5-145.3-130.6 139.8 98.6 36.3 57.6 75 111 A I E -EG 39 84C 2 9,-2.3 8,-3.2 -2,-0.4 9,-1.3 -0.871 27.8-157.9 -99.8 132.7 99.2 34.2 60.7 76 112 A L E - G 0 82C 20 -38,-2.9 6,-0.2 -2,-0.4 2,-0.1 -0.699 12.5-128.8-111.2 164.9 96.5 34.6 63.3 77 113 A N > - 0 0 37 4,-1.8 3,-1.7 -2,-0.2 -1,-0.1 -0.339 49.8 -83.0 -95.6-176.8 96.0 34.1 67.1 78 114 A D T 3 S+ 0 0 129 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.792 131.2 55.0 -59.8 -31.3 93.1 32.0 68.7 79 115 A E T 3 S- 0 0 131 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.331 120.5-108.9 -86.4 4.8 90.8 35.0 68.4 80 116 A G S < S+ 0 0 42 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.565 70.6 143.2 79.1 10.6 91.4 35.3 64.6 81 117 A E - 0 0 119 1,-0.1 -4,-1.8 2,-0.0 -1,-0.3 -0.661 57.8-107.2 -85.5 144.1 93.5 38.5 64.9 82 118 A E E +G 76 0C 99 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.483 40.7 168.2 -67.6 126.2 96.5 39.0 62.6 83 119 A I E + 0 0 87 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.524 69.9 15.4-115.5 -12.8 99.9 38.6 64.4 84 120 A A E -G 75 0C 21 -9,-1.3 -9,-2.3 -76,-0.0 -1,-0.4 -0.970 67.0-171.8-157.5 143.0 102.2 38.4 61.4 85 121 A N E +G 74 0C 106 -2,-0.3 -76,-0.3 -11,-0.2 2,-0.3 -0.955 8.1 167.6-141.7 157.6 101.8 39.2 57.7 86 122 A T E -G 73 0C 30 -13,-2.1 -13,-2.2 -2,-0.3 2,-0.3 -0.933 17.2-144.9-154.9 171.4 103.6 38.9 54.4 87 123 A E E -G 72 0C 96 -2,-0.3 -76,-0.3 -15,-0.2 -15,-0.2 -0.988 22.5-114.6-145.7 144.7 103.0 39.2 50.6 88 124 A A - 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