==== 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 HYDROLASE 04-DEC-09 3KYA . COMPND 2 MOLECULE: PUTATIVE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 471 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20961.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 178 37.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 . 47 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 1 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 3 3 3 12 4 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 5 2 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 29 A V 0 0 122 0, 0.0 3,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 148.6 26.8 41.1 69.9 2 30 A E > - 0 0 79 1,-0.2 3,-1.9 4,-0.1 2,-0.2 -0.171 360.0 -62.4 -78.1 175.1 30.6 40.7 70.2 3 31 A T T 3 S+ 0 0 155 1,-0.3 -1,-0.2 -2,-0.0 3,-0.1 -0.449 127.6 15.3 -62.6 123.1 33.3 43.0 68.7 4 32 A G T 3 S+ 0 0 33 1,-0.4 -1,-0.3 -2,-0.2 32,-0.2 0.169 99.1 121.3 96.6 -16.0 33.0 43.0 64.9 5 33 A A S < S- 0 0 41 -3,-1.9 -1,-0.4 31,-0.1 31,-0.2 -0.463 73.5 -94.2 -80.2 153.9 29.5 41.4 64.9 6 34 A F - 0 0 35 29,-0.2 -1,-0.1 -2,-0.1 29,-0.1 -0.452 33.6-158.1 -65.3 133.4 26.5 43.1 63.3 7 35 A D > - 0 0 42 -2,-0.2 3,-2.0 4,-0.1 -1,-0.1 -0.927 4.8-164.6-117.6 102.7 24.4 45.2 65.8 8 36 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.559 86.5 63.6 -66.5 -8.8 20.8 45.7 64.4 9 37 A S T 3 S+ 0 0 91 2,-0.1 74,-0.0 76,-0.0 -2,-0.0 0.466 98.4 68.4 -89.6 -3.9 20.1 48.5 67.0 10 38 A K S < S- 0 0 115 -3,-2.0 -3,-0.1 1,-0.1 0, 0.0 -0.860 90.7-103.0-115.1 150.3 22.8 50.6 65.3 11 39 A P - 0 0 100 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.164 26.9-126.0 -65.3 161.9 22.9 52.3 61.9 12 40 A V - 0 0 6 74,-0.2 2,-0.4 64,-0.1 22,-0.2 -0.907 32.2-165.5-103.8 138.7 24.9 50.8 59.0 13 41 A A E -A 33 0A 32 20,-1.8 20,-2.2 -2,-0.4 2,-0.5 -0.967 21.3-157.1-131.0 145.7 27.2 53.4 57.5 14 42 A I E +A 32 0A 23 -2,-0.4 76,-0.4 18,-0.2 18,-0.3 -0.995 17.4 170.4-115.7 120.8 29.3 53.7 54.3 15 43 A S E - 0 0 93 16,-2.1 2,-0.3 -2,-0.5 17,-0.2 0.686 60.7 -17.3-102.6 -23.6 32.2 56.1 54.6 16 44 A D E -A 31 0A 73 15,-1.3 15,-2.8 2,-0.0 -1,-0.3 -0.974 52.1-156.5-172.0 165.4 34.2 55.5 51.4 17 45 A F E -A 30 0A 3 -2,-0.3 13,-0.2 13,-0.2 11,-0.0 -0.978 20.5-113.2-155.3 156.4 34.8 53.2 48.5 18 46 A T E S+A 29 0A 65 11,-2.3 11,-2.6 -2,-0.3 2,-0.2 -0.982 87.0 29.7-150.9 136.9 37.5 52.4 46.0 19 47 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 0.598 68.8-154.5 -72.1 167.8 37.9 52.8 43.1 20 48 A K S S+ 0 0 89 -2,-0.2 74,-2.7 1,-0.1 2,-0.3 0.653 79.5 27.4 -82.4 -18.8 35.7 55.9 42.6 21 49 A E E S+d 94 0B 98 72,-0.2 2,-0.3 74,-0.0 74,-0.2 -0.965 73.4 121.4-140.6 156.0 35.1 55.0 39.0 22 50 A G E -d 95 0B 2 72,-2.1 74,-2.9 -2,-0.3 2,-0.2 -0.940 43.2 -98.8 165.9 174.9 35.0 51.8 36.9 23 51 A G > - 0 0 6 -2,-0.3 3,-1.8 72,-0.2 42,-0.2 -0.478 56.9 -54.1-110.9 179.0 33.0 49.5 34.7 24 52 A A T 3 S+ 0 0 3 72,-0.5 -1,-0.2 1,-0.2 3,-0.1 -0.226 122.6 25.6 -53.6 144.9 31.0 46.2 35.0 25 53 A Y T 3 S+ 0 0 93 40,-3.0 -1,-0.2 1,-0.3 2,-0.2 0.346 86.7 140.4 77.2 -3.8 32.9 43.3 36.6 26 54 A Q < - 0 0 79 -3,-1.8 39,-3.0 39,-0.2 2,-0.5 -0.491 57.9-120.0 -65.6 138.1 35.2 45.8 38.5 27 55 A K E - B 0 64A 113 37,-0.2 2,-0.4 -2,-0.2 37,-0.2 -0.718 33.4-160.8 -79.9 127.0 36.0 44.6 42.0 28 56 A L E - B 0 63A 0 35,-3.4 35,-2.3 -2,-0.5 2,-0.5 -0.944 10.7-153.9-118.0 133.2 34.8 47.3 44.4 29 57 A L E -AB 18 62A 18 -11,-2.6 -11,-2.3 -2,-0.4 2,-0.5 -0.918 11.9-165.2-106.8 120.6 35.9 47.8 48.1 30 58 A I E -AB 17 61A 0 31,-3.2 31,-2.3 -2,-0.5 2,-0.3 -0.941 3.3-157.3-112.1 122.7 33.3 49.6 50.3 31 59 A Y E +AB 16 60A 99 -15,-2.8 -16,-2.1 -2,-0.5 -15,-1.3 -0.750 37.4 98.7 -97.0 147.2 34.4 51.0 53.7 32 60 A G E -A 14 0A 6 27,-2.4 2,-0.3 -2,-0.3 -18,-0.2 -0.902 57.6 -70.7 176.6-148.1 32.0 51.6 56.6 33 61 A E E S+A 13 0A 127 -20,-2.2 -20,-1.8 -2,-0.3 26,-0.2 -0.995 88.2 20.7-144.9 148.1 30.5 50.3 59.8 34 62 A N + 0 0 26 -2,-0.3 25,-0.1 -22,-0.2 -1,-0.1 0.821 67.4 134.5 70.0 38.8 28.2 47.6 61.1 35 63 A F - 0 0 1 23,-2.2 3,-0.3 1,-0.2 -29,-0.2 0.609 51.7-145.8 -89.1 -15.2 28.5 45.2 58.2 36 64 A G - 0 0 6 22,-0.3 22,-3.5 -32,-0.2 -1,-0.2 -0.225 26.5 -85.2 73.6-172.5 29.0 42.0 60.3 37 65 A T S S+ 0 0 71 20,-0.2 2,-0.5 21,-0.1 19,-0.3 0.240 93.5 91.5-120.0 12.8 31.1 39.1 59.1 38 66 A D > - 0 0 94 -3,-0.3 3,-1.5 1,-0.1 4,-0.1 -0.943 53.4-159.7-120.6 119.7 28.7 37.1 56.9 39 67 A V G > S+ 0 0 60 -2,-0.5 3,-1.8 1,-0.3 -1,-0.1 0.853 95.0 65.8 -54.6 -36.9 28.2 37.3 53.2 40 68 A S G 3 S+ 0 0 79 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.713 100.9 49.2 -62.6 -20.0 24.8 35.6 53.7 41 69 A K G < S+ 0 0 91 -3,-1.5 38,-2.4 -6,-0.1 2,-0.4 0.309 100.3 79.3-103.3 9.1 23.5 38.6 55.7 42 70 A V E < -E 78 0C 1 -3,-1.8 2,-0.4 36,-0.2 36,-0.2 -0.958 49.2-179.4-125.8 134.9 24.5 41.3 53.3 43 71 A K E -E 77 0C 133 34,-2.2 34,-2.4 -2,-0.4 2,-0.4 -0.992 9.4-167.0-129.2 136.5 22.9 42.5 50.0 44 72 A V E -EF 76 51C 4 7,-0.6 7,-2.9 -2,-0.4 2,-0.4 -0.979 6.8-170.9-127.5 136.5 24.3 45.2 47.8 45 73 A K E -EF 75 50C 85 30,-2.8 30,-2.8 -2,-0.4 2,-0.4 -0.981 2.3-169.7-122.5 139.7 22.8 47.2 45.0 46 74 A I E > S-EF 74 49C 0 3,-2.7 3,-2.0 -2,-0.4 28,-0.2 -0.995 78.6 -9.0-128.5 124.9 24.7 49.5 42.7 47 75 A G T 3 S- 0 0 11 26,-2.4 24,-0.3 -2,-0.4 23,-0.3 0.839 130.7 -57.5 58.9 32.3 22.8 51.8 40.3 48 76 A G T 3 S+ 0 0 54 25,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.390 115.4 116.9 78.1 -1.1 19.7 49.8 41.2 49 77 A K E < S-F 46 0C 88 -3,-2.0 -3,-2.7 17,-0.1 -1,-0.2 -0.829 72.4-110.5-103.7 135.8 21.3 46.5 40.1 50 78 A D E -F 45 0C 128 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.383 36.8-149.6 -61.2 134.2 21.9 43.6 42.5 51 79 A A E -F 44 0C 15 -7,-2.9 -7,-0.6 15,-0.1 2,-0.4 -0.882 16.6-112.0-113.2 141.6 25.7 43.1 43.0 52 80 A I - 0 0 116 12,-0.4 12,-2.1 -2,-0.4 2,-0.5 -0.560 31.0-143.4 -68.8 122.2 27.6 40.0 43.7 53 81 A V E +C 63 0A 25 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.813 21.9 177.3 -92.8 126.0 29.0 40.1 47.3 54 82 A I E - 0 0 65 8,-2.6 2,-0.3 -2,-0.5 9,-0.2 0.869 61.4 -6.7 -95.2 -46.6 32.5 38.6 47.7 55 83 A N E -C 62 0A 49 7,-1.3 7,-2.7 -17,-0.1 2,-0.4 -0.986 52.8-159.9-158.7 141.6 33.6 39.1 51.3 56 84 A V E +C 61 0A 0 -2,-0.3 5,-0.2 -19,-0.3 -17,-0.2 -0.995 14.7 167.6-130.8 123.1 32.2 40.9 54.3 57 85 A K - 0 0 86 3,-2.8 2,-2.5 -2,-0.4 -20,-0.2 -0.342 55.4 -95.9-138.8 56.3 34.4 41.9 57.3 58 86 A S S S+ 0 0 28 -22,-3.5 -23,-2.2 1,-0.2 -22,-0.3 -0.318 119.4 31.8 75.7 -64.3 32.7 44.3 59.7 59 87 A T S S+ 0 0 80 -2,-2.5 -27,-2.4 -26,-0.2 2,-0.3 0.341 122.7 39.6-108.6 4.8 34.2 47.6 58.4 60 88 A Y E -B 31 0A 74 -29,-0.2 -3,-2.8 -46,-0.0 2,-0.4 -0.996 55.3-164.8-151.7 152.2 34.5 46.6 54.7 61 89 A V E -BC 30 56A 0 -31,-2.3 -31,-3.2 -2,-0.3 2,-0.4 -0.999 9.8-152.8-134.0 135.3 32.7 44.8 52.0 62 90 A Y E +BC 29 55A 81 -7,-2.7 -8,-2.6 -2,-0.4 -7,-1.3 -0.911 27.9 154.9-105.2 136.8 34.0 43.6 48.6 63 91 A C E -BC 28 53A 0 -35,-2.3 -35,-3.4 -2,-0.4 2,-0.4 -0.916 41.0-104.8-148.6 171.2 31.6 43.2 45.7 64 92 A F E -B 27 0A 68 -12,-2.1 -12,-0.4 -2,-0.3 -37,-0.2 -0.898 35.0-116.4-102.7 136.0 31.6 43.2 41.9 65 93 A V - 0 0 2 -39,-3.0 -40,-3.0 -2,-0.4 -39,-0.2 -0.521 37.6-130.4 -68.0 124.7 30.2 46.2 40.0 66 94 A P > - 0 0 18 0, 0.0 3,-1.1 0, 0.0 2,-0.1 -0.411 21.7 -96.3 -80.1 154.2 27.1 45.0 38.0 67 95 A S T 3 S+ 0 0 56 1,-0.2 30,-0.1 -2,-0.1 -44,-0.0 -0.403 109.1 20.8 -59.7 138.0 26.4 45.6 34.4 68 96 A G T 3 S+ 0 0 7 1,-0.1 2,-1.2 -2,-0.1 3,-0.3 0.729 71.7 146.5 75.6 25.1 24.1 48.6 33.8 69 97 A A X + 0 0 0 -3,-1.1 3,-1.2 1,-0.2 26,-0.2 -0.247 17.1 155.6 -87.3 50.4 24.8 50.3 37.2 70 98 A F T 3 + 0 0 44 -2,-1.2 25,-0.5 1,-0.3 -1,-0.2 0.793 64.0 48.5 -49.4 -47.5 24.4 53.7 35.5 71 99 A S T 3 S- 0 0 48 -24,-0.3 -1,-0.3 -3,-0.3 3,-0.1 0.766 90.7-145.1 -71.6 -24.8 23.4 55.9 38.5 72 100 A G < + 0 0 0 -3,-1.2 21,-3.0 1,-0.3 2,-0.2 0.539 40.6 155.9 73.0 6.1 26.3 54.5 40.7 73 101 A E - 0 0 111 19,-0.2 -26,-2.4 1,-0.1 2,-0.6 -0.507 32.8-148.1 -68.0 128.5 24.1 54.7 43.8 74 102 A I E +E 46 0C 0 17,-0.4 15,-2.6 -2,-0.2 2,-0.4 -0.905 20.0 176.7-105.0 119.3 25.4 52.3 46.4 75 103 A E E -EG 45 88C 77 -30,-2.8 -30,-2.8 -2,-0.6 2,-0.4 -0.981 4.8-173.2-126.1 133.6 22.8 50.7 48.7 76 104 A I E -EG 44 87C 0 11,-2.4 11,-2.2 -2,-0.4 2,-0.4 -0.986 8.1-167.6-129.8 138.6 23.5 48.1 51.4 77 105 A T E -EG 43 86C 33 -34,-2.4 -34,-2.2 -2,-0.4 2,-0.4 -0.999 6.8-168.7-126.6 123.5 21.1 46.1 53.6 78 106 A V E +EG 42 85C 1 7,-2.8 7,-2.7 -2,-0.4 -36,-0.2 -0.942 54.4 10.3-113.4 133.8 22.5 44.1 56.5 79 107 A G S S- 0 0 12 -38,-2.4 2,-0.3 -2,-0.4 5,-0.2 -0.190 77.6 -96.7 90.0 175.8 20.3 41.6 58.3 80 108 A E > - 0 0 119 4,-0.1 3,-1.7 -2,-0.1 4,-0.1 -0.957 67.8 -19.3-137.2 153.3 16.9 40.2 57.5 81 109 A G G > S+ 0 0 67 -2,-0.3 3,-1.9 1,-0.3 0, 0.0 -0.244 130.9 0.9 55.6-131.6 13.3 40.8 58.5 82 110 A E G 3 S+ 0 0 188 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.764 137.9 52.6 -59.1 -27.4 12.9 42.8 61.7 83 111 A N G < S+ 0 0 79 -3,-1.7 -1,-0.3 2,-0.0 2,-0.3 0.340 80.0 121.6 -90.6 5.3 16.7 43.1 62.0 84 112 A A < - 0 0 42 -3,-1.9 2,-0.4 -5,-0.2 -5,-0.2 -0.541 38.9-174.3 -76.4 132.2 17.3 44.4 58.5 85 113 A V E -G 78 0C 30 -7,-2.7 -7,-2.8 -2,-0.3 2,-0.3 -0.997 3.1-166.5-128.7 130.8 19.1 47.8 58.4 86 114 A T E +G 77 0C 76 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.921 9.9 172.8-122.1 144.0 19.7 49.7 55.1 87 115 A T E -G 76 0C 36 -11,-2.2 -11,-2.4 -2,-0.3 2,-0.4 -0.963 18.9-144.7-142.0 159.5 21.9 52.7 54.2 88 116 A T E -G 75 0C 71 -2,-0.3 -13,-0.2 -13,-0.2 -74,-0.2 -0.994 29.2-111.3-127.2 133.3 22.8 54.5 50.9 89 117 A A - 0 0 11 -15,-2.6 -15,-0.2 -2,-0.4 -74,-0.1 -0.330 20.3-134.3 -62.5 143.3 26.3 56.0 50.3 90 118 A S S S+ 0 0 124 -76,-0.4 2,-0.3 -17,-0.1 -1,-0.1 0.804 89.4 50.1 -71.8 -29.2 26.2 59.8 50.1 91 119 A T S S- 0 0 83 -19,-0.0 -17,-0.4 -17,-0.0 2,-0.3 -0.782 85.7-122.7-108.9 153.1 28.3 59.9 46.9 92 120 A T - 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