==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURE GENOMICS, UNKNOWN FUNCTION 31-DEC-10 3Q6A . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS SAPROPHYTICUS SUBSP. . AUTHOR J.SEETHARAMAN,Y.CHEN,D.WANG,C.CICCOSANTI,S.SAHDEV,R.NAIR,B.R . 1077 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 780 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 306 28.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 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 . 2 0.2 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 . 102 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 8 5 4 3 12 10 6 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 5 0 6 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 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 1 A X 0 0 89 0, 0.0 96,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 140.3 13.8 61.4 107.0 2 2 A D - 0 0 56 93,-0.2 2,-0.8 94,-0.2 93,-0.2 -0.850 360.0-136.8-109.9 144.2 10.6 63.1 105.7 3 3 A I E -A 94 0A 1 91,-2.9 91,-1.9 -2,-0.4 2,-0.5 -0.871 29.8-175.6-100.7 107.6 8.3 65.4 107.6 4 4 A I E +A 93 0A 86 -2,-0.8 2,-0.4 89,-0.2 89,-0.2 -0.908 6.6 177.5-110.7 129.6 4.8 64.3 106.6 5 5 A T E -A 92 0A 4 87,-2.5 87,-2.8 -2,-0.5 2,-0.4 -0.995 8.0-165.8-134.4 136.5 1.6 66.1 107.8 6 6 A K E -A 91 0A 91 -2,-0.4 2,-0.4 85,-0.2 85,-0.2 -0.963 6.3-178.4-123.2 140.9 -2.0 65.5 106.9 7 7 A X E -A 90 0A 17 83,-2.2 83,-2.7 -2,-0.4 2,-0.4 -0.996 22.3-135.5-141.6 133.8 -5.0 67.7 107.5 8 8 A Q E -A 89 0A 59 -2,-0.4 2,-0.4 81,-0.2 81,-0.2 -0.736 21.8-174.4 -86.8 129.9 -8.7 67.3 106.8 9 9 A V E -A 88 0A 0 79,-3.1 79,-2.6 -2,-0.4 2,-2.1 -0.986 23.4-136.8-127.4 118.4 -10.3 70.4 105.3 10 10 A D S S+ 0 0 80 -2,-0.4 77,-0.2 77,-0.2 79,-0.1 -0.167 73.9 82.4 -74.8 49.1 -14.1 70.2 104.8 11 11 A V S S- 0 0 22 -2,-2.1 -2,-0.2 77,-0.1 113,-0.1 -0.915 90.9 -73.7-141.0 163.0 -14.3 71.7 101.3 12 12 A P >> - 0 0 76 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.250 41.3-115.9 -61.0 149.6 -13.9 70.2 97.8 13 13 A R H 3> S+ 0 0 47 74,-0.4 4,-2.6 1,-0.3 5,-0.2 0.817 114.3 57.1 -54.2 -39.1 -10.4 69.3 96.6 14 14 A E H 3> S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.858 105.5 50.3 -63.8 -37.6 -10.5 71.8 93.8 15 15 A T H <> S+ 0 0 67 -3,-0.8 4,-1.4 2,-0.2 -2,-0.2 0.901 111.6 48.5 -68.0 -40.3 -11.2 74.7 96.3 16 16 A V H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.933 111.8 49.4 -65.9 -43.1 -8.3 73.6 98.4 17 17 A F H >X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 3,-0.9 0.943 109.4 51.0 -60.1 -47.2 -6.0 73.4 95.3 18 18 A E H 3X S+ 0 0 54 -4,-2.3 4,-2.1 1,-0.3 7,-0.3 0.809 99.9 65.6 -61.2 -28.3 -7.0 76.9 94.1 19 19 A A H 3< S+ 0 0 0 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.870 109.4 38.4 -63.8 -33.5 -6.3 78.3 97.5 20 20 A F H << S+ 0 0 0 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.923 122.8 36.9 -81.8 -47.7 -2.6 77.4 97.0 21 21 A V H < S+ 0 0 0 -4,-2.1 17,-1.7 16,-0.1 -2,-0.2 0.701 93.5 89.4 -83.1 -20.0 -2.1 78.3 93.3 22 22 A D >X - 0 0 38 -4,-2.1 3,-2.2 -5,-0.2 4,-1.7 -0.702 68.8-146.7 -80.7 116.1 -4.3 81.4 93.0 23 23 A P T 34 S+ 0 0 22 0, 0.0 4,-0.4 0, 0.0 11,-0.2 0.784 97.6 55.7 -51.9 -29.1 -2.2 84.5 93.7 24 24 A E T 34 S+ 0 0 162 1,-0.1 -5,-0.1 9,-0.1 -3,-0.0 0.599 111.7 40.6 -83.5 -9.6 -5.3 86.2 95.2 25 25 A K T X4 S+ 0 0 80 -3,-2.2 3,-2.4 -7,-0.3 4,-0.3 0.727 90.4 78.4-108.0 -30.3 -6.1 83.4 97.7 26 26 A I G >X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.3 3,-2.0 0.809 82.8 70.2 -54.8 -29.8 -2.8 82.2 99.2 27 27 A G G 34 S+ 0 0 40 5,-0.4 -1,-0.3 -4,-0.4 104,-0.2 0.561 81.7 75.5 -65.9 -6.8 -2.6 85.2 101.5 28 28 A G G <4 S- 0 0 12 -3,-2.4 101,-0.4 -9,-0.2 -1,-0.3 0.705 122.2 -2.7 -77.8 -15.1 -5.5 83.8 103.5 29 29 A F T <4 S+ 0 0 0 -3,-2.0 103,-0.5 2,-0.3 -2,-0.2 0.522 131.7 9.6-151.0 -13.8 -3.2 81.3 105.1 30 30 A W S < S+ 0 0 1 -4,-2.6 101,-0.1 1,-0.5 104,-0.1 -0.176 108.0 16.1-139.3-126.0 0.4 81.3 103.9 31 31 A F S S- 0 0 1 1,-0.1 -1,-0.5 102,-0.1 -2,-0.3 -0.215 71.3-120.6 -55.3 147.7 2.4 83.7 101.7 32 32 A S S S- 0 0 46 15,-1.8 -5,-0.4 1,-0.2 2,-0.3 0.820 81.7 -28.8 -60.7 -33.8 0.9 87.1 101.2 33 33 A S E -E 47 0B 40 14,-0.9 14,-2.2 -7,-0.2 2,-0.3 -0.966 56.2-122.4-173.0 167.8 0.7 86.7 97.4 34 34 A S E -E 46 0B 7 -2,-0.3 12,-0.2 -11,-0.2 3,-0.1 -0.942 24.2-124.9-123.3 146.8 2.4 85.0 94.4 35 35 A S S S- 0 0 71 10,-1.9 2,-0.3 -2,-0.3 11,-0.1 0.823 92.0 -14.1 -60.7 -32.4 3.8 86.8 91.3 36 36 A E S S- 0 0 80 9,-0.1 -1,-0.1 -15,-0.0 3,-0.1 -0.961 95.5 -59.6-158.3 172.0 1.6 84.6 89.2 37 37 A R - 0 0 82 -2,-0.3 2,-0.4 1,-0.1 -15,-0.2 -0.340 63.3-103.6 -59.3 135.0 -0.6 81.4 89.3 38 38 A W + 0 0 2 -17,-1.7 2,-0.3 -18,-0.1 -1,-0.1 -0.482 56.5 162.9 -64.2 120.1 1.4 78.4 90.3 39 39 A E > - 0 0 82 -2,-0.4 3,-1.8 -3,-0.1 20,-0.3 -0.990 45.7 -89.8-141.4 146.7 2.0 76.4 87.1 40 40 A Q T 3 S+ 0 0 108 -2,-0.3 20,-0.2 1,-0.3 21,-0.1 -0.302 111.5 21.0 -57.6 130.8 4.5 73.7 86.2 41 41 A G T 3 S+ 0 0 69 18,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.416 97.8 116.2 92.3 -1.1 7.7 75.1 84.8 42 42 A K < - 0 0 75 -3,-1.8 17,-2.8 17,-0.3 2,-0.6 -0.729 61.9-132.7-104.9 151.1 7.4 78.6 86.3 43 43 A T E -F 58 0C 49 -2,-0.3 2,-0.5 15,-0.2 15,-0.2 -0.904 28.6-157.1 -98.9 121.0 9.5 80.5 88.8 44 44 A I E -F 57 0C 0 13,-2.9 13,-1.9 -2,-0.6 2,-0.6 -0.876 9.1-148.3-105.0 131.1 7.2 82.1 91.3 45 45 A T E -F 56 0C 52 -2,-0.5 -10,-1.9 11,-0.2 2,-0.4 -0.869 20.6-159.2 -96.6 118.9 8.1 85.1 93.4 46 46 A L E -E 34 0B 2 9,-3.4 2,-0.3 -2,-0.6 -12,-0.2 -0.815 1.8-150.7-103.5 141.6 6.4 84.8 96.8 47 47 A R E -E 33 0B 82 -14,-2.2 -15,-1.8 -2,-0.4 -14,-0.9 -0.831 13.9-173.9-110.5 147.1 5.8 87.7 99.1 48 48 A Y > > - 0 0 14 5,-2.4 5,-2.0 -2,-0.3 3,-1.4 -0.802 9.4-170.2-138.0 88.9 5.5 87.7 102.9 49 49 A E G > 5S+ 0 0 106 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.817 76.9 69.3 -53.3 -38.8 4.5 91.2 103.8 50 50 A E G 3 5S+ 0 0 132 1,-0.3 -1,-0.3 2,-0.1 82,-0.0 0.820 115.5 27.8 -53.2 -33.3 5.0 90.8 107.5 51 51 A Y G < 5S- 0 0 145 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.300 104.8-126.5-107.8 5.8 8.7 90.6 107.0 52 52 A D T < 5 0 0 120 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.933 360.0 360.0 46.8 45.8 8.6 92.7 103.8 53 53 A A < 0 0 59 -5,-2.0 -5,-2.4 2,-0.0 -1,-0.2 -0.819 360.0 360.0-120.3 360.0 10.4 89.7 102.4 54 ! 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 55 55 A L 0 0 58 0, 0.0 -9,-3.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 159.4 11.5 84.4 98.0 56 56 A N E -F 45 0C 43 -11,-0.2 2,-0.3 167,-0.1 -11,-0.2 -0.903 360.0-179.8-116.3 144.8 11.5 82.4 94.8 57 57 A I E -F 44 0C 4 -13,-1.9 -13,-2.9 -2,-0.4 2,-0.6 -0.992 24.0-134.5-136.2 144.6 10.5 78.8 94.1 58 58 A N E -F 43 0C 36 13,-0.4 2,-0.8 -2,-0.3 13,-0.6 -0.890 21.2-135.9 -99.4 119.0 10.6 76.8 90.9 59 59 A I E +B 70 0A 2 -17,-2.8 -18,-2.9 -2,-0.6 -17,-0.3 -0.668 26.6 178.8 -74.7 112.1 7.3 74.9 90.4 60 60 A E E + 0 0 91 9,-1.9 2,-0.4 -2,-0.8 10,-0.2 0.880 60.4 10.1 -83.2 -43.3 8.5 71.5 89.2 61 61 A R E -B 69 0A 102 8,-1.6 8,-2.3 -21,-0.1 2,-0.4 -0.999 54.0-179.2-143.2 143.6 5.3 69.6 88.9 62 62 A V E -B 68 0A 22 -2,-0.4 2,-0.6 6,-0.2 6,-0.2 -0.976 6.1-175.7-142.2 126.4 1.6 70.3 89.0 63 63 A E E >> -B 67 0A 60 4,-2.6 3,-2.6 -2,-0.4 4,-2.5 -0.976 47.6-106.4-117.5 106.9 -1.2 67.7 88.7 64 64 A D T 34 S- 0 0 118 -2,-0.6 -50,-0.1 1,-0.3 4,-0.1 -0.041 94.3 -8.2 -41.7 128.1 -4.4 69.9 88.7 65 65 A N T 34 S+ 0 0 40 1,-0.1 -1,-0.3 -51,-0.1 -48,-0.1 0.630 135.3 62.5 57.5 21.9 -6.3 69.6 92.0 66 66 A Q T <4 S+ 0 0 85 -3,-2.6 15,-2.3 1,-0.3 2,-0.3 0.648 99.8 10.2-141.4 -41.6 -4.0 66.8 93.0 67 67 A L E < -BC 63 80A 17 -4,-2.5 -4,-2.6 13,-0.2 2,-0.4 -0.996 38.8-176.1-154.5 146.7 -0.3 67.6 93.5 68 68 A I E -BC 62 79A 0 11,-1.9 11,-2.4 -2,-0.3 2,-0.4 -0.991 15.5-175.9-139.8 131.5 2.2 70.5 93.6 69 69 A A E +BC 61 78A 7 -8,-2.3 -9,-1.9 -2,-0.4 -8,-1.6 -0.997 15.0 142.0-135.2 137.3 6.0 69.9 93.9 70 70 A F E -BC 59 77A 0 7,-1.7 7,-2.9 -2,-0.4 2,-0.4 -0.939 40.2-112.9-157.4 171.4 8.9 72.3 94.3 71 71 A T E - 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