==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-DEC-09 3L1W . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR K.TAN,E.RAKOWSKI,R.JEDRZEJCZAK,A.JOACHIMIAK,MIDWEST CENTER . 1512 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1004 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 372 24.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 6 0.4 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 . 113 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 16.7 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+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 12 0 0 0 6 0 0 0 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 5 0 6 6 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 . 18 6 0 6 6 18 6 0 6 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 . 0 6 0 0 6 6 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 1 A X 0 0 32 0, 0.0 248,-2.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 134.3 25.7 50.8 40.2 2 2 A K E +A 248 0A 69 246,-0.2 35,-2.4 33,-0.1 36,-1.0 -0.851 360.0 171.4 -97.5 131.8 29.4 50.4 39.2 3 3 A I E -Ab 247 38A 0 244,-2.6 244,-2.7 -2,-0.5 2,-0.3 -0.924 5.5-177.1-135.0 157.5 31.3 53.6 38.5 4 4 A A E -Ab 246 39A 0 34,-1.4 36,-2.7 -2,-0.3 2,-0.4 -0.977 19.6-147.1-152.1 162.9 35.0 54.3 37.9 5 5 A T E +Ab 245 40A 1 240,-2.6 240,-2.5 -2,-0.3 2,-0.3 -0.992 19.9 179.1-131.4 143.3 37.6 57.0 37.3 6 6 A Y E - b 0 41A 1 34,-2.6 36,-1.7 -2,-0.4 2,-0.8 -0.907 22.8-154.8-151.5 113.5 40.6 56.5 35.0 7 7 A N E - b 0 42A 1 -2,-0.3 235,-0.5 236,-0.3 36,-0.2 -0.845 16.7-169.4 -84.8 112.5 43.4 58.8 34.2 8 8 A V - 0 0 0 34,-2.0 35,-0.1 -2,-0.8 -1,-0.1 0.376 39.0-105.5 -92.9 5.0 44.4 57.4 30.8 9 9 A R - 0 0 57 33,-0.3 3,-0.1 231,-0.1 34,-0.1 0.803 36.2 -94.5 70.8 117.2 47.7 59.4 30.4 10 10 A V - 0 0 22 1,-0.1 2,-0.4 34,-0.1 34,-0.1 -0.202 44.7 -99.5 -59.0 143.8 47.8 62.3 27.9 11 11 A D + 0 0 38 32,-0.1 2,-0.3 8,-0.1 -1,-0.1 -0.557 61.1 157.6 -64.2 118.3 49.1 61.4 24.4 12 12 A T > - 0 0 23 -2,-0.4 3,-1.6 -3,-0.1 4,-0.1 -0.993 51.3-135.3-148.7 141.3 52.7 62.6 24.5 13 13 A E G > S+ 0 0 161 -2,-0.3 3,-1.9 1,-0.3 5,-0.1 0.686 99.0 80.5 -70.1 -14.6 55.9 61.8 22.5 14 14 A Y G 3 S+ 0 0 200 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.805 85.2 60.7 -58.1 -27.7 57.7 61.7 25.8 15 15 A D G X S- 0 0 24 -3,-1.6 3,-2.2 1,-0.2 -1,-0.3 0.534 84.8-177.3 -80.0 -6.4 56.2 58.1 26.2 16 16 A Q G X S+ 0 0 143 -3,-1.9 3,-1.5 1,-0.3 -1,-0.2 -0.195 71.1 13.0 52.9-116.2 58.0 57.0 23.0 17 17 A D G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.387 134.1 51.9 -76.4 7.9 57.1 53.4 22.2 18 18 A W G < S+ 0 0 29 -3,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 -0.015 77.6 129.6-132.6 27.9 54.3 53.7 24.8 19 19 A Q S X> S- 0 0 46 -3,-1.5 3,-1.8 -6,-0.1 4,-0.9 -0.270 80.5 -80.6 -72.3 172.6 52.5 56.8 23.6 20 20 A W H >> S+ 0 0 2 1,-0.3 4,-2.4 2,-0.2 3,-1.0 0.817 126.0 63.7 -48.1 -43.8 48.8 56.7 23.1 21 21 A S H 34 S+ 0 0 35 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.869 109.2 41.9 -51.4 -36.7 48.9 55.0 19.7 22 22 A F H <4 S+ 0 0 67 -3,-1.8 -1,-0.3 1,-0.2 4,-0.2 0.692 121.6 40.3 -82.8 -19.3 50.4 52.0 21.3 23 23 A R H S+ 0 0 56 -4,-0.3 4,-2.7 1,-0.2 5,-0.2 0.939 113.9 46.6 -61.5 -45.0 43.6 49.3 22.3 26 26 A A H > S+ 0 0 13 -4,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.908 114.7 46.8 -64.7 -43.2 44.5 48.1 25.7 27 27 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 212,-0.2 -2,-0.2 0.942 115.9 44.2 -63.2 -47.6 42.9 51.2 27.4 28 28 A C H X S+ 0 0 1 -4,-2.9 4,-2.5 -5,-0.2 29,-0.2 0.875 112.8 51.1 -68.3 -36.7 39.7 50.9 25.4 29 29 A Q H X S+ 0 0 74 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.862 108.0 53.5 -67.9 -34.6 39.5 47.1 25.8 30 30 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 5,-0.3 0.954 110.2 47.1 -62.3 -49.3 39.9 47.5 29.6 31 31 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.929 113.2 48.4 -57.3 -46.7 37.0 50.0 29.6 32 32 A N H < S+ 0 0 45 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.888 112.2 49.4 -63.2 -38.3 34.8 47.7 27.5 33 33 A F H < S+ 0 0 27 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.911 112.0 45.0 -69.1 -45.8 35.5 44.7 29.7 34 34 A H H < S- 0 0 29 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.852 87.6-170.1 -71.4 -32.5 34.8 46.3 33.0 35 35 A D < - 0 0 67 -4,-2.3 -33,-0.1 -5,-0.3 -3,-0.1 0.814 9.4-177.5 57.2 44.3 31.7 47.8 31.5 36 36 A W - 0 0 0 -5,-0.3 -33,-0.2 1,-0.1 3,-0.1 -0.127 40.9-111.3 -65.6 166.7 30.7 50.2 34.3 37 37 A S S S- 0 0 11 -35,-2.4 42,-2.4 1,-0.3 2,-0.3 0.885 98.7 -8.2 -61.9 -40.3 27.6 52.4 34.2 38 38 A L E -bC 3 78A 0 -36,-1.0 -34,-1.4 40,-0.2 2,-0.4 -0.989 61.2-160.0-157.1 155.7 29.9 55.4 33.9 39 39 A C E -bC 4 77A 0 38,-2.6 38,-3.0 -2,-0.3 2,-0.4 -0.979 14.8-141.0-142.6 125.8 33.6 56.3 34.0 40 40 A C E -bC 5 76A 0 -36,-2.7 -34,-2.6 -2,-0.4 2,-0.4 -0.737 25.4-160.6 -81.4 134.5 35.3 59.7 34.5 41 41 A I E -bC 6 75A 0 34,-3.1 34,-2.1 -2,-0.4 2,-0.3 -0.955 6.6-165.5-119.7 134.2 38.3 60.0 32.3 42 42 A Q E +bC 7 74A 0 -36,-1.7 -34,-2.0 -2,-0.4 -33,-0.3 -0.878 60.5 28.0-114.5 155.3 41.3 62.4 32.6 43 43 A E E + 0 0 26 30,-0.6 2,-0.5 -2,-0.3 -1,-0.2 0.945 69.5 150.3 70.2 57.3 44.0 63.4 30.2 44 44 A V E - C 0 73A 1 29,-2.0 29,-2.0 -3,-0.2 -1,-0.2 -0.950 28.8-160.8-124.0 114.9 42.5 63.1 26.8 45 45 A R >> - 0 0 99 -2,-0.5 4,-2.2 27,-0.3 3,-0.7 -0.323 47.9 -88.1 -74.7 169.8 43.5 65.2 23.8 46 46 A P H 3> S+ 0 0 38 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.856 128.9 53.4 -56.0 -38.1 41.0 65.3 20.9 47 47 A N H 3> S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.875 108.9 49.9 -63.0 -36.1 42.5 62.3 19.2 48 48 A Q H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.883 109.2 51.5 -69.6 -38.0 42.1 60.3 22.4 49 49 A V H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.944 109.4 50.6 -61.9 -45.7 38.5 61.4 22.7 50 50 A R H X S+ 0 0 97 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.913 110.8 49.5 -57.2 -43.2 37.9 60.3 19.1 51 51 A D H X S+ 0 0 16 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.886 107.5 53.4 -65.4 -40.3 39.4 56.9 20.0 52 52 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 6,-0.3 0.924 112.4 45.2 -59.9 -44.4 37.3 56.5 23.1 53 53 A K H < S+ 0 0 108 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.884 118.9 42.3 -63.1 -39.4 34.2 57.1 21.0 54 54 A A H < S+ 0 0 19 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.877 124.1 31.5 -77.3 -37.6 35.4 54.8 18.2 55 55 A Y H < S+ 0 0 94 -4,-3.0 2,-0.3 -5,-0.2 -3,-0.2 0.437 108.1 66.0-111.8 -2.7 36.7 51.9 20.3 56 56 A T S < S- 0 0 1 -4,-1.5 1265,-0.1 -5,-0.3 -27,-0.1 -0.787 75.9-128.1-110.2 167.5 34.6 51.8 23.4 57 57 A T S S+ 0 0 32 -2,-0.3 2,-0.2 -29,-0.2 1263,-0.1 0.417 75.0 106.8 -88.2 1.3 30.9 50.9 23.7 58 58 A F S S- 0 0 12 -6,-0.3 2,-0.3 1261,-0.1 21,-0.2 -0.455 73.0-119.0 -92.1 151.3 30.2 54.1 25.7 59 59 A T E -D 78 0A 45 19,-2.7 19,-2.5 -2,-0.2 2,-0.5 -0.646 38.5-142.7 -73.5 142.2 28.5 57.4 25.1 60 60 A C E -D 77 0A 21 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.956 21.1-174.0-123.2 116.0 31.1 60.2 25.6 61 61 A L E +D 76 0A 31 15,-2.6 15,-2.6 -2,-0.5 2,-0.3 -0.892 26.3 169.4 -95.9 133.2 30.6 63.6 27.1 62 62 A S E +D 75 0A 48 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.970 22.5 173.7-146.6 162.7 33.8 65.7 26.8 63 63 A A E -D 74 0A 10 11,-1.8 11,-2.4 -2,-0.3 2,-0.3 -0.958 19.3-141.1-159.0 156.7 35.3 69.2 27.2 64 64 A E E -D 73 0A 21 -2,-0.3 3,-0.3 9,-0.3 9,-0.3 -0.898 17.0-124.4-132.8 163.5 38.8 70.5 26.9 65 65 A R S S+ 0 0 48 7,-2.4 36,-0.2 -2,-0.3 8,-0.1 0.627 99.9 58.3 -87.2 -13.7 40.8 73.1 28.8 66 66 A E S S- 0 0 82 6,-0.2 -1,-0.2 34,-0.1 7,-0.1 0.805 90.7-137.1 -85.0 -28.4 41.9 75.5 26.0 67 67 A G S S+ 0 0 37 -3,-0.3 -2,-0.1 32,-0.1 -1,-0.1 0.025 87.8 89.7 95.6 -27.3 38.4 76.4 24.8 68 68 A D S S- 0 0 101 1,-0.1 -3,-0.1 0, 0.0 -1,-0.0 0.236 103.5-115.6 -84.8 13.4 39.4 76.0 21.1 69 69 A G S S+ 0 0 35 -5,-0.2 -4,-0.1 1,-0.1 4,-0.1 0.559 99.0 92.6 65.8 8.6 38.4 72.4 21.3 70 70 A Q + 0 0 119 2,-0.1 -1,-0.1 -25,-0.1 3,-0.1 0.519 65.3 89.1-108.6 -7.7 42.1 71.5 20.6 71 71 A G S S- 0 0 4 1,-0.2 2,-0.2 -26,-0.1 -8,-0.0 -0.118 88.3 -71.6 -89.1-178.2 43.4 71.1 24.1 72 72 A E + 0 0 28 -27,-0.2 -7,-2.4 -8,-0.1 -27,-0.3 -0.523 65.4 173.7 -69.5 138.2 43.8 68.3 26.7 73 73 A G E -CD 44 64A 5 -29,-2.0 -29,-2.0 -9,-0.3 -30,-0.6 -0.647 30.7-110.5-139.0-171.8 40.4 67.5 28.2 74 74 A L E -CD 42 63A 7 -11,-2.4 -11,-1.8 -2,-0.2 2,-0.3 -0.854 25.0-164.7-122.7 158.0 38.2 65.4 30.4 75 75 A A E -CD 41 62A 0 -34,-2.1 -34,-3.1 -2,-0.3 2,-0.5 -0.985 16.0-152.7-140.3 153.9 35.5 62.9 29.5 76 76 A I E -CD 40 61A 0 -15,-2.6 -15,-2.6 -2,-0.3 2,-0.4 -0.981 18.6-161.8-121.6 116.2 32.6 61.2 31.2 77 77 A L E +CD 39 60A 0 -38,-3.0 -38,-2.6 -2,-0.5 2,-0.3 -0.809 17.7 170.9 -92.7 138.0 31.8 57.9 29.5 78 78 A Y E -CD 38 59A 29 -19,-2.5 -19,-2.7 -2,-0.4 2,-0.7 -0.996 35.6-125.7-148.6 154.7 28.4 56.4 30.2 79 79 A N >> - 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0 0 23 -36,-0.2 9,-0.5 9,-0.2 2,-0.4 -0.971 51.0-115.5-167.3 166.7 41.5 81.2 32.1 102 102 A I - 0 0 87 -2,-0.3 -7,-0.2 7,-0.2 -8,-0.1 -0.967 27.7-118.9-123.6 133.1 44.2 80.2 34.7 103 103 A H > - 0 0 29 -2,-0.4 3,-1.6 -10,-0.4 -9,-0.1 -0.411 31.4-116.2 -62.3 142.6 43.9 80.4 38.5 104 104 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 36,-0.1 0.812 116.7 42.6 -47.0 -35.2 46.6 82.8 39.9 105 105 A E T 3 S+ 0 0 96 34,-0.1 35,-0.2 35,-0.1 2,-0.1 0.563 101.4 90.4 -88.7 -11.7 48.2 79.8 41.7 106 106 A A < - 0 0 20 -3,-1.6 -4,-0.0 34,-0.1 4,-0.0 -0.466 66.7-141.9 -96.2 160.5 48.0 77.3 38.9 107 107 A G S S+ 0 0 51 1,-0.1 -1,-0.1 -2,-0.1 -5,-0.0 0.495 81.3 2.4 -94.9 -5.7 50.4 76.5 36.0 108 108 A C S S- 0 0 21 -5,-0.1 -5,-0.4 -7,-0.0 -1,-0.1 -0.981 91.9 -68.4-168.1 163.3 47.8 76.0 33.3 109 109 A P - 0 0 18 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.403 50.9-173.2 -60.9 140.2 44.1 76.2 32.5 110 110 A R - 0 0 19 -9,-0.5 -17,-2.5 -45,-0.1 2,-0.3 -0.988 2.7-164.7-133.8 145.1 42.1 73.4 34.3 111 111 A I E -G 92 0B 7 -2,-0.4 2,-0.4 -19,-0.3 21,-0.3 -0.860 14.5-142.9-123.6 161.4 38.5 72.5 33.9 112 112 A A E -G 91 0B 0 -21,-2.4 -21,-1.7 -2,-0.3 2,-0.5 -0.978 15.3-158.2-115.1 142.7 35.9 70.5 35.7 113 113 A L E +GH 90 130B 1 17,-1.1 17,-3.1 -2,-0.4 2,-0.3 -0.976 16.5 179.3-118.8 129.0 33.4 68.5 33.7 114 114 A W E -GH 89 129B 23 -25,-2.9 -25,-2.0 -2,-0.5 2,-0.3 -0.895 12.7-168.2-130.6 160.3 30.1 67.6 35.3 115 115 A G E -GH 88 128B 0 13,-2.2 13,-3.0 -2,-0.3 2,-0.6 -0.995 18.5-141.4-144.8 142.6 26.9 65.7 34.5 116 116 A L E +GH 87 127B 12 -29,-3.0 -30,-3.1 -2,-0.3 -29,-1.4 -0.938 37.6 178.7-100.4 122.9 23.5 65.3 36.1 117 117 A F E -GH 85 126B 0 9,-3.1 9,-2.6 -2,-0.6 2,-0.4 -0.768 24.0-152.5-123.0 161.7 22.4 61.7 35.5 118 118 A K E -G 84 0B 71 -34,-1.9 -34,-2.8 -2,-0.3 2,-0.2 -0.990 22.7-124.9-133.6 134.9 19.5 59.4 36.3 119 119 A E E > -G 83 0B 29 5,-0.5 3,-0.5 -2,-0.4 -36,-0.3 -0.498 27.9-118.8 -68.4 143.6 19.7 55.7 36.7 120 120 A T T 3 S+ 0 0 83 -38,-2.2 -1,-0.1 1,-0.2 -37,-0.1 0.874 113.5 40.1 -49.3 -42.9 17.3 53.9 34.4 121 121 A T T 3 S+ 0 0 113 -39,-0.3 -1,-0.2 2,-0.0 2,-0.2 0.704 107.9 71.4 -83.5 -22.8 15.4 52.3 37.4 122 122 A Q < - 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