==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-MAY-03 1PG6 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN SPYM3_0169; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR A.KUZIN,I.LEE,W.EDSTROM,R.XIAO,T.ACTON,B.ROST,G.MONTELIONE,J . 216 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 38.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 21 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 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 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 . 0 0 6 2 3 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 5 A R 0 0 165 0, 0.0 19,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 150.6 55.7 -2.8 67.2 2 6 A X - 0 0 12 22,-0.1 2,-0.5 17,-0.1 17,-0.2 -0.504 360.0-136.3 -81.4 153.1 55.4 1.0 66.5 3 7 A R E -A 18 0A 154 15,-2.4 15,-3.9 -2,-0.2 2,-0.3 -0.955 27.7-176.3-112.2 127.6 54.6 3.4 69.3 4 8 A F E -A 17 0A 60 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.825 20.6-160.7-123.9 162.7 52.1 6.1 68.5 5 9 A T E -A 16 0A 53 11,-1.8 11,-2.3 -2,-0.3 2,-0.5 -0.879 8.9-158.4-144.5 106.1 50.5 9.1 70.1 6 10 A I E -A 15 0A 38 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.754 34.4-110.4 -85.0 126.3 47.3 10.5 68.8 7 11 A D - 0 0 52 7,-2.2 -1,-0.1 -2,-0.5 -2,-0.0 -0.343 30.8-169.1 -57.7 133.1 46.9 14.1 69.9 8 12 A Q S S+ 0 0 187 1,-0.1 -1,-0.1 5,-0.1 -2,-0.0 0.724 80.3 47.7 -97.5 -26.5 44.1 14.4 72.5 9 13 A N S S+ 0 0 161 3,-0.0 2,-0.2 2,-0.0 -1,-0.1 0.827 91.8 89.0 -84.7 -33.5 43.7 18.2 72.7 10 14 A X - 0 0 78 1,-0.2 4,-0.0 4,-0.1 0, 0.0 -0.451 67.3-148.0 -70.9 134.4 43.6 18.9 69.0 11 15 A Q S S+ 0 0 147 1,-0.3 -1,-0.2 -2,-0.2 76,-0.0 0.883 100.5 37.7 -64.3 -41.0 40.2 18.8 67.4 12 16 A F S S- 0 0 110 74,-0.1 -1,-0.3 76,-0.1 76,-0.1 -0.928 101.3-140.7-115.3 99.9 41.8 17.5 64.2 13 17 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 74,-0.1 -0.163 17.0-157.4 -67.8 153.0 44.6 15.2 65.4 14 18 A L - 0 0 52 68,-0.1 -7,-2.2 -9,-0.1 2,-0.5 -0.875 19.9-139.0-118.8 149.5 48.1 14.6 64.2 15 19 A V E -AB 6 81A 0 66,-2.2 66,-2.3 -2,-0.3 2,-0.5 -0.976 8.4-154.7-119.6 121.8 49.6 11.2 65.1 16 20 A E E -AB 5 80A 93 -11,-2.3 -11,-1.8 -2,-0.5 2,-0.4 -0.843 14.8-163.4 -94.7 127.5 53.2 11.1 66.2 17 21 A I E -AB 4 79A 1 62,-3.4 62,-1.9 -2,-0.5 2,-0.5 -0.943 10.3-156.6-119.3 131.6 54.9 7.7 65.5 18 22 A D E -AB 3 78A 43 -15,-3.9 -15,-2.4 -2,-0.4 2,-0.5 -0.919 12.5-165.8-106.8 125.8 58.1 6.3 67.0 19 23 A L E - B 0 77A 4 58,-2.9 58,-3.1 -2,-0.5 3,-0.1 -0.941 9.3-143.7-115.1 130.9 59.8 3.6 65.1 20 24 A E > - 0 0 129 -2,-0.5 3,-2.6 56,-0.2 53,-0.2 -0.328 50.6 -62.4 -81.2 170.5 62.6 1.4 66.5 21 25 A H T 3 S+ 0 0 130 1,-0.3 53,-0.2 53,-0.1 -1,-0.2 -0.294 128.4 11.2 -55.3 132.5 65.5 0.3 64.3 22 26 A G T 3 S+ 0 0 63 51,-2.1 -1,-0.3 1,-0.3 2,-0.1 0.430 99.2 136.9 78.1 -2.2 64.3 -1.9 61.4 23 27 A G < - 0 0 21 -3,-2.6 50,-2.1 52,-0.3 2,-0.3 -0.444 29.3-178.4 -79.3 152.1 60.7 -0.9 62.2 24 28 A S E -D 72 0B 27 48,-0.2 87,-2.1 -2,-0.1 2,-0.3 -0.935 13.1-162.6-144.6 167.5 58.2 0.1 59.5 25 29 A V E -DE 71 110B 0 46,-1.6 46,-2.5 -2,-0.3 2,-0.3 -0.980 19.8-129.4-155.5 139.9 54.6 1.3 58.9 26 30 A Y E -DE 70 109B 35 83,-3.0 83,-2.1 -2,-0.3 2,-0.3 -0.704 36.1-171.8 -86.0 141.1 52.2 1.4 56.1 27 31 A L E -DE 69 108B 1 42,-3.1 42,-2.7 -2,-0.3 81,-0.2 -0.983 32.1 -94.2-142.1 151.6 50.6 4.8 55.6 28 32 A Q E > -D 68 0B 13 79,-2.4 3,-2.6 -2,-0.3 4,-0.3 -0.371 60.9 -96.5 -56.6 127.5 47.9 6.6 53.6 29 33 A Q T 3 S+ 0 0 105 38,-2.9 -1,-0.1 1,-0.3 38,-0.1 -0.238 108.6 10.7 -51.9 131.2 49.6 8.1 50.6 30 34 A G T 3 S+ 0 0 71 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.419 91.5 116.5 80.4 0.1 50.4 11.7 51.2 31 35 A S < + 0 0 3 -3,-2.6 51,-2.3 76,-0.1 -2,-0.1 0.612 41.3 113.9 -78.3 -9.8 49.7 11.6 55.0 32 36 A X E +C 81 0A 41 -4,-0.3 49,-0.2 49,-0.2 3,-0.1 -0.362 33.6 171.6 -62.6 134.3 53.3 12.3 56.0 33 37 A V E - 0 0 72 47,-3.0 2,-0.3 1,-0.5 48,-0.2 0.733 66.8 -29.9-108.0 -43.6 53.8 15.7 57.8 34 38 A Y E -C 80 0A 120 46,-1.1 46,-2.5 2,-0.0 -1,-0.5 -0.974 56.9-172.1-167.3 162.8 57.4 15.3 58.8 35 39 A H E -C 79 0A 75 -2,-0.3 44,-0.3 44,-0.3 2,-0.0 -0.986 32.2 -94.2-160.6 155.5 59.9 12.6 59.7 36 40 A T > - 0 0 52 42,-2.7 3,-2.0 -2,-0.3 41,-0.0 -0.314 43.5-105.7 -71.3 159.1 63.5 12.3 61.1 37 41 A E T 3 S+ 0 0 178 1,-0.3 -1,-0.1 3,-0.0 40,-0.1 0.822 117.5 60.1 -53.8 -37.9 66.4 11.9 58.7 38 42 A N T 3 S+ 0 0 52 38,-0.2 36,-2.3 2,-0.0 2,-0.6 0.361 88.6 90.3 -76.5 8.0 66.8 8.2 59.4 39 43 A V E < -F 73 0B 3 -3,-2.0 2,-0.4 34,-0.2 34,-0.2 -0.926 61.3-165.7-109.0 121.2 63.3 7.5 58.2 40 44 A T E -F 72 0B 84 32,-2.7 32,-2.9 -2,-0.6 2,-0.6 -0.871 12.9-141.2-110.1 139.7 62.9 6.7 54.5 41 45 A L E -F 71 0B 78 -2,-0.4 2,-0.4 30,-0.2 30,-0.2 -0.870 21.6-170.9-100.8 118.6 59.6 6.7 52.6 42 46 A N E +F 70 0B 63 28,-3.3 28,-2.5 -2,-0.6 2,-0.2 -0.873 6.6 176.1-112.5 143.4 59.3 3.9 50.0 43 47 A T > - 0 0 50 -2,-0.4 3,-0.7 26,-0.2 26,-0.1 -0.768 45.7-103.2-132.0 177.1 56.6 3.4 47.3 44 48 A K T 3 S+ 0 0 50 -2,-0.2 25,-0.0 1,-0.2 22,-0.0 0.482 113.3 69.8 -82.7 -1.8 56.0 1.0 44.5 45 49 A L T 3 0 0 116 21,-0.1 -1,-0.2 10,-0.1 7,-0.0 -0.070 360.0 360.0-104.3 31.5 57.2 3.6 42.0 46 50 A N < 0 0 153 -3,-0.7 -4,-0.0 0, 0.0 -2,-0.0 -0.187 360.0 360.0 -69.6 360.0 60.8 3.3 43.2 47 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 48 55 A G 0 0 112 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-150.2 58.0 7.8 32.6 49 56 A L + 0 0 154 3,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.296 360.0 89.4 -63.8 153.2 55.4 5.5 31.3 50 57 A G S S- 0 0 50 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.351 97.6 -2.7 118.7 108.4 56.5 1.9 31.0 51 58 A K S S+ 0 0 159 1,-0.2 4,-0.2 3,-0.1 -2,-0.1 0.652 104.2 93.4 58.4 15.0 56.3 -0.8 33.7 52 59 A L S > S+ 0 0 55 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.477 88.4 54.2 -97.1 -18.8 54.9 1.7 36.1 53 60 A V H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.719 104.4 51.2 -77.1 -28.1 52.0 0.0 34.4 54 61 A G H > S+ 0 0 6 2,-0.2 4,-2.3 3,-0.2 -2,-0.2 0.785 105.4 54.8 -78.5 -29.4 53.8 -3.0 35.7 55 62 A A H > S+ 0 0 5 -4,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.951 115.6 37.4 -66.3 -49.5 53.9 -1.4 39.1 56 63 A I H X S+ 0 0 78 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.887 114.3 59.1 -67.7 -39.8 50.1 -1.0 39.1 57 64 A G H X S+ 0 0 34 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.886 105.4 46.0 -57.7 -44.7 49.8 -4.3 37.4 58 65 A R H X S+ 0 0 152 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.808 110.3 53.9 -70.8 -30.3 51.5 -6.3 40.1 59 66 A S H X>S+ 0 0 6 -4,-1.2 5,-1.5 1,-0.2 4,-1.4 0.866 100.8 59.9 -71.9 -36.1 49.5 -4.6 42.9 60 67 A X H <5S+ 0 0 137 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.819 115.0 35.1 -61.2 -32.5 46.2 -5.4 41.3 61 68 A V H <5S+ 0 0 122 -4,-0.8 -1,-0.2 1,-0.1 -2,-0.2 0.759 116.0 53.6 -92.5 -29.4 46.9 -9.1 41.5 62 69 A S H <5S- 0 0 57 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.623 109.4-122.8 -79.2 -12.8 48.8 -9.0 44.8 63 70 A G T <5 + 0 0 8 -4,-1.4 54,-1.9 1,-0.3 -3,-0.2 0.627 65.5 139.2 80.2 13.3 45.9 -7.2 46.4 64 71 A E < - 0 0 87 -5,-1.5 2,-0.4 -6,-0.2 -1,-0.3 -0.419 50.1-120.5 -86.9 165.3 48.0 -4.3 47.3 65 72 A S > - 0 0 15 -2,-0.1 3,-0.9 1,-0.1 -1,-0.0 -0.886 4.4-152.1-111.7 138.4 47.1 -0.6 47.1 66 73 A X T 3 S+ 0 0 45 -2,-0.4 -22,-0.2 1,-0.2 -1,-0.1 0.587 97.7 63.4 -78.8 -10.3 48.9 2.1 45.0 67 74 A F T 3 S+ 0 0 138 -38,-0.1 -38,-2.9 2,-0.0 2,-0.4 0.112 88.6 81.9-101.4 20.7 47.7 4.6 47.6 68 75 A I E < -D 28 0B 4 -3,-0.9 2,-0.2 -40,-0.2 -40,-0.2 -0.994 57.7-175.5-127.8 125.9 49.6 3.1 50.5 69 76 A T E -D 27 0B 11 -42,-2.7 -42,-3.1 -2,-0.4 2,-0.4 -0.650 16.3-131.3-112.9 172.1 53.2 3.8 51.1 70 77 A Q E -DF 26 42B 42 -28,-2.5 -28,-3.3 -44,-0.2 2,-0.5 -0.991 7.0-153.2-133.2 134.4 55.7 2.5 53.7 71 78 A A E -DF 25 41B 0 -46,-2.5 -46,-1.6 -2,-0.4 2,-0.4 -0.885 13.0-164.5-105.4 131.3 58.1 4.3 56.0 72 79 A X E -DF 24 40B 64 -32,-2.9 -32,-2.7 -2,-0.5 2,-0.4 -0.917 6.7-146.1-116.7 144.2 61.2 2.5 57.2 73 80 A S E - F 0 39B 7 -50,-2.1 -51,-2.1 -2,-0.4 2,-0.8 -0.914 8.1-161.0-115.5 134.9 63.5 3.5 60.1 74 81 A N S S- 0 0 117 -36,-2.3 2,-0.2 -2,-0.4 -53,-0.1 -0.847 79.3 -23.0-110.5 89.5 67.3 3.0 60.3 75 82 A G S S- 0 0 21 -2,-0.8 2,-0.5 -55,-0.1 -52,-0.3 -0.606 123.7 -18.3 100.5-166.9 67.8 3.3 64.1 76 83 A D S S+ 0 0 130 -2,-0.2 2,-0.3 -56,-0.1 -56,-0.2 -0.631 81.4 171.1 -76.1 120.5 65.3 5.1 66.4 77 84 A G E -B 19 0A 3 -58,-3.1 -58,-2.9 -2,-0.5 2,-0.3 -0.853 22.4-152.1-130.4 167.0 63.2 7.3 64.2 78 85 A K E +B 18 0A 124 -2,-0.3 -42,-2.7 -60,-0.2 2,-0.3 -0.964 14.0 168.0-137.3 152.0 60.1 9.5 64.3 79 86 A L E -BC 17 35A 2 -62,-1.9 -62,-3.4 -2,-0.3 2,-0.4 -0.980 20.0-142.5-156.9 158.8 57.4 10.7 61.9 80 87 A A E -BC 16 34A 0 -46,-2.5 -47,-3.0 -2,-0.3 -46,-1.1 -0.991 14.2-162.1-130.2 138.0 54.0 12.4 62.1 81 88 A L E -BC 15 32A 0 -66,-2.3 -66,-2.2 -2,-0.4 -49,-0.2 -0.868 4.2-159.7-119.5 153.7 51.0 11.7 60.0 82 89 A A - 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