==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-OCT-04 1XV2 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN, SIMILAR TO ALPHA- . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR N.E.C.DUKE,R.ZHANG,P.QUARTEY,F.COLLART,D.HOLZLE, . 929 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 704 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 355 38.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 81 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 3 12 1 1 3 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 0 0 4 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 4 10 9 7 0 0 8 0 0 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 2 2 0 0 0 0 0 0 2 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 3 A N 0 0 101 0, 0.0 201,-1.9 0, 0.0 200,-1.8 0.000 360.0 360.0 360.0 78.2 28.2 30.4 52.7 2 4 A V E -a 202 0A 58 198,-0.2 2,-0.6 199,-0.2 74,-0.5 -0.950 360.0-153.6-121.1 132.9 24.5 31.0 53.1 3 5 A L E -aB 203 75A 1 199,-2.5 201,-3.1 -2,-0.4 2,-0.5 -0.906 17.6-154.3-102.2 122.9 21.6 29.0 51.9 4 6 A Y E -aB 204 74A 15 70,-2.7 70,-2.9 -2,-0.6 2,-0.4 -0.841 13.1-177.7-102.1 131.8 18.5 31.1 51.4 5 7 A Q E -aB 205 73A 3 199,-2.8 201,-3.3 -2,-0.5 2,-0.6 -0.991 14.3-159.8-132.3 131.0 15.0 29.5 51.5 6 8 A H E S-aB 206 72A 0 66,-2.9 66,-2.1 -2,-0.4 201,-0.2 -0.941 70.7 -19.7-107.9 117.4 11.7 31.2 51.0 7 9 A G S S- 0 0 9 199,-2.8 2,-0.3 -2,-0.6 199,-0.2 -0.192 86.4 -92.7 76.2-177.4 8.8 29.2 52.5 8 10 A T > - 0 0 7 62,-0.2 4,-1.4 1,-0.1 158,-0.2 -0.908 12.3-122.2-135.8 162.8 9.2 25.6 53.4 9 11 A L H > S+ 0 0 2 156,-1.7 4,-2.8 -2,-0.3 156,-0.2 0.899 110.7 53.9 -70.2 -40.6 8.6 22.1 51.8 10 12 A G H > S+ 0 0 0 154,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.874 110.4 45.3 -62.1 -39.9 6.3 21.0 54.6 11 13 A T H 4>S+ 0 0 13 153,-0.2 5,-1.6 2,-0.2 4,-0.3 0.819 112.4 51.7 -73.8 -32.2 4.0 24.0 54.3 12 14 A L H ><5S+ 0 0 9 -4,-1.4 3,-2.3 1,-0.2 122,-0.5 0.962 109.0 50.6 -66.3 -49.3 4.0 23.7 50.5 13 15 A X H 3<5S+ 0 0 2 -4,-2.8 121,-1.0 1,-0.3 122,-0.5 0.799 101.1 65.5 -56.1 -30.7 3.0 20.0 50.9 14 16 A A T 3<5S- 0 0 16 -4,-1.1 -1,-0.3 119,-0.2 206,-0.2 0.612 126.1 -95.8 -69.6 -13.9 0.2 21.2 53.3 15 17 A G T < 5S+ 0 0 11 -3,-2.3 2,-1.5 -4,-0.3 -3,-0.2 0.481 81.7 132.2 113.9 2.0 -1.5 23.0 50.4 16 18 A L < + 0 0 32 -5,-1.6 -1,-0.2 1,-0.2 -2,-0.1 -0.660 18.9 152.4 -89.4 86.5 -0.3 26.6 50.6 17 19 A L + 0 0 0 -2,-1.5 22,-3.1 -3,-0.1 23,-0.6 0.339 20.0 129.7 -98.6 5.8 0.6 27.1 47.0 18 20 A E - 0 0 70 20,-0.2 2,-0.4 21,-0.1 51,-0.1 -0.344 67.2-111.5 -62.1 138.4 0.0 30.8 46.7 19 21 A G + 0 0 7 1,-0.2 -1,-0.1 49,-0.1 3,-0.1 -0.596 45.2 165.9 -71.3 125.3 3.0 32.7 45.1 20 22 A T + 0 0 38 49,-2.3 2,-0.3 -2,-0.4 -1,-0.2 0.445 56.7 41.8-121.8 -4.5 4.5 34.8 47.9 21 23 A A E S-N 69 0B 3 48,-1.3 48,-3.2 -15,-0.1 2,-0.2 -0.980 76.9-119.3-142.1 153.1 7.8 35.8 46.5 22 24 A T E > -N 68 0B 31 -2,-0.3 4,-2.1 46,-0.2 46,-0.2 -0.631 18.8-125.4 -94.2 150.5 9.0 37.0 43.1 23 25 A I H > S+ 0 0 1 44,-2.1 4,-2.4 42,-0.3 5,-0.2 0.933 115.3 51.3 -56.3 -46.4 11.6 35.3 40.8 24 26 A N H > S+ 0 0 82 41,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.869 107.5 52.5 -58.6 -39.6 13.5 38.6 40.8 25 27 A E H 4 S+ 0 0 107 40,-0.3 3,-0.4 1,-0.2 4,-0.4 0.881 109.7 49.2 -65.8 -37.6 13.4 38.8 44.5 26 28 A L H >X S+ 0 0 2 -4,-2.1 3,-2.2 1,-0.2 4,-0.5 0.914 103.9 58.8 -67.3 -42.8 14.8 35.3 44.8 27 29 A L H >< S+ 0 0 42 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.722 92.3 69.9 -59.8 -21.1 17.7 36.1 42.4 28 30 A E T 3< S+ 0 0 160 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.777 104.3 42.3 -67.2 -24.3 18.7 38.8 44.7 29 31 A H T <4 S- 0 0 65 -3,-2.2 2,-0.3 -4,-0.4 47,-0.2 0.480 125.9 -14.2-100.7 -4.9 19.8 36.0 47.1 30 32 A G << - 0 0 5 -3,-0.5 46,-0.3 -4,-0.5 -1,-0.1 -0.994 36.4-134.8-175.5-177.8 21.4 33.7 44.6 31 33 A N S S+ 0 0 54 44,-2.7 18,-2.0 -2,-0.3 2,-0.4 0.316 89.2 53.5-135.7 -2.5 22.3 32.3 41.2 32 34 A L E S+C 75 0A 3 43,-1.6 43,-1.7 15,-0.2 2,-0.3 -0.984 73.7 84.3-141.6 127.7 21.8 28.6 41.7 33 35 A G E -CD 74 46A 0 13,-1.9 13,-3.0 -2,-0.4 2,-0.3 -0.993 54.8 -95.5 172.9-167.3 18.8 26.8 43.1 34 36 A I E +CD 73 45A 2 39,-1.9 39,-2.6 -2,-0.3 2,-0.3 -0.938 38.7 134.2-139.9 159.9 15.3 25.2 42.7 35 37 A A E -CD 72 44A 7 9,-1.7 9,-3.0 -2,-0.3 2,-0.3 -0.931 33.4-124.4-176.1-164.5 11.7 26.2 43.1 36 38 A T E - 0 0 7 35,-0.9 35,-0.4 -2,-0.3 6,-0.2 -0.928 26.5-106.2-155.3 171.2 8.3 26.2 41.6 37 39 A L E >> - D 0 41A 15 4,-1.3 3,-1.9 -2,-0.3 4,-0.9 -0.437 56.1 -53.3-101.9 178.5 5.6 28.7 40.6 38 40 A T G >4 S+ 0 0 48 30,-1.3 3,-0.8 1,-0.3 -1,-0.2 -0.168 131.0 21.9 -48.9 138.9 2.2 29.7 42.0 39 41 A G G 34 S- 0 0 0 -22,-3.1 88,-1.5 1,-0.2 -1,-0.3 0.595 132.3 -78.2 74.0 11.4 0.0 26.7 42.4 40 42 A S G <4 S- 0 0 2 -3,-1.9 2,-0.7 -23,-0.6 -1,-0.2 0.891 75.6-176.7 61.3 41.3 3.2 24.7 42.4 41 43 A D E << -D 37 0A 39 -4,-0.9 -4,-1.3 -3,-0.8 -1,-0.2 -0.610 41.4 -48.6 -76.9 110.4 3.3 25.1 38.7 42 44 A G E S- 0 0 0 82,-2.4 2,-0.4 -2,-0.7 13,-0.2 -0.133 82.2 -51.8 69.9-158.5 6.2 23.2 37.1 43 45 A E E - E 0 54A 6 11,-2.3 11,-2.1 -7,-0.1 2,-0.5 -0.982 40.3-155.3-128.3 123.6 9.8 23.2 38.0 44 46 A V E -DE 35 53A 0 -9,-3.0 -9,-1.7 -2,-0.4 2,-0.5 -0.830 8.7-171.1 -99.8 132.8 12.1 26.2 38.5 45 47 A I E -DE 34 52A 0 7,-2.0 7,-2.3 -2,-0.5 2,-0.8 -0.979 11.3-154.3-124.7 117.6 15.8 25.8 38.0 46 48 A F E +DE 33 51A 0 -13,-3.0 -13,-1.9 -2,-0.5 2,-0.4 -0.832 27.7 167.5 -91.1 112.5 18.1 28.6 39.0 47 49 A L E > - E 0 50A 4 3,-2.4 3,-1.8 -2,-0.8 -15,-0.2 -0.971 61.4 -17.6-135.1 121.1 21.2 28.2 36.8 48 50 A D T 3 S- 0 0 109 -2,-0.4 -16,-0.2 -17,-0.3 -1,-0.1 0.907 125.3 -53.9 54.6 46.2 24.0 30.8 36.3 49 51 A G T 3 S+ 0 0 29 -18,-2.0 2,-0.3 1,-0.2 -1,-0.3 0.445 117.7 112.1 71.8 -2.0 21.8 33.6 37.6 50 52 A K E < -E 47 0A 77 -3,-1.8 -3,-2.4 -19,-0.3 2,-0.6 -0.743 61.5-137.4-103.3 153.3 19.1 32.8 35.1 51 53 A A E -E 46 0A 3 -2,-0.3 12,-2.8 12,-0.3 2,-0.3 -0.942 22.3-174.8-115.6 118.1 15.6 31.4 36.0 52 54 A Y E -EF 45 62A 25 -7,-2.3 -7,-2.0 -2,-0.6 2,-0.4 -0.781 8.6-156.0-110.9 154.4 14.2 28.6 33.9 53 55 A H E -EF 44 61A 9 8,-2.9 8,-2.1 -2,-0.3 2,-0.5 -0.982 8.2-174.5-136.3 126.5 10.8 26.9 34.0 54 56 A A E -EF 43 60A 3 -11,-2.1 -11,-2.3 -2,-0.4 6,-0.2 -0.974 19.9-169.3-116.9 119.8 9.7 23.4 32.8 55 57 A N > - 0 0 15 4,-1.6 3,-1.5 -2,-0.5 127,-0.1 -0.496 40.0 -91.4-107.6 179.0 6.0 22.7 33.1 56 58 A E T 3 S+ 0 0 48 68,-0.4 67,-0.1 1,-0.3 87,-0.1 0.531 119.0 63.3 -61.5 -11.0 3.6 19.7 32.7 57 59 A H T 3 S- 0 0 121 2,-0.1 -1,-0.3 85,-0.0 3,-0.1 0.071 117.1-106.5-105.0 22.5 3.2 20.5 29.0 58 60 A K S < S+ 0 0 145 -3,-1.5 2,-0.2 1,-0.2 -2,-0.1 0.613 75.1 142.7 64.2 12.9 6.9 19.8 28.1 59 61 A E - 0 0 111 -4,-0.1 -4,-1.6 122,-0.0 2,-0.3 -0.525 30.4-170.6 -82.5 152.4 7.4 23.5 27.7 60 62 A F E +F 54 0A 23 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.924 16.7 150.3-147.8 117.9 10.7 25.1 28.8 61 63 A I E -F 53 0A 88 -8,-2.1 -8,-2.9 -2,-0.3 2,-0.5 -0.930 47.4-101.8-145.2 167.8 11.4 28.8 29.1 62 64 A E E -F 52 0A 102 -2,-0.3 -10,-0.3 -10,-0.2 -2,-0.0 -0.818 47.2-119.2 -91.8 127.6 13.4 31.5 30.8 63 65 A L - 0 0 13 -12,-2.8 -12,-0.3 -2,-0.5 -1,-0.0 -0.306 7.2-133.8 -66.7 148.5 11.2 33.3 33.3 64 66 A K - 0 0 170 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 0.880 43.5-114.7 -69.3 -38.9 10.5 37.0 32.9 65 67 A G S S+ 0 0 1 3,-0.0 -41,-2.6 -14,-0.0 -40,-0.3 0.068 98.8 82.0 127.4 -24.6 11.2 37.7 36.6 66 68 A D + 0 0 93 -43,-0.2 -3,-0.0 -44,-0.2 0, 0.0 0.487 62.0 116.1 -90.3 -4.5 7.8 38.9 37.9 67 69 A E - 0 0 48 -45,-0.1 -44,-2.1 1,-0.1 2,-0.3 -0.335 64.2-125.8 -63.5 147.9 6.4 35.4 38.3 68 70 A K E -N 22 0B 110 -46,-0.2 -30,-1.3 -45,-0.1 -46,-0.2 -0.686 18.9-157.5 -99.4 152.4 5.6 34.4 42.0 69 71 A V E -N 21 0B 0 -48,-3.2 -49,-2.3 -2,-0.3 -48,-1.3 -0.974 16.2-162.5-129.8 142.2 6.9 31.4 43.9 70 72 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -62,-0.2 0.654 85.9 16.9 -93.4 -19.6 5.4 29.6 47.0 71 73 A Y S S+ 0 0 9 -35,-0.4 -35,-0.9 -64,-0.1 2,-0.3 -0.924 70.6 159.5-157.1 127.5 8.7 27.8 47.8 72 74 A A E -BC 6 35A 1 -66,-2.1 -66,-2.9 -2,-0.3 2,-0.4 -0.999 21.2-161.2-152.4 148.6 12.3 28.3 46.7 73 75 A S E +BC 5 34A 5 -39,-2.6 -39,-1.9 -2,-0.3 2,-0.3 -1.000 26.1 161.0-130.1 129.6 15.8 27.5 47.7 74 76 A I E -BC 4 33A 0 -70,-2.9 -70,-2.7 -2,-0.4 2,-0.3 -0.979 13.0-180.0-149.2 160.4 18.8 29.5 46.3 75 77 A T E -BC 3 32A 1 -43,-1.7 -44,-2.7 -2,-0.3 -43,-1.6 -0.993 40.9-109.3-158.0 158.1 22.4 30.4 46.9 76 78 A N - 0 0 98 -74,-0.5 2,-0.2 -2,-0.3 -74,-0.1 -0.786 53.7-133.6 -88.8 90.8 25.4 32.3 45.6 77 79 A F + 0 0 34 -2,-1.4 2,-0.4 1,-0.1 -44,-0.0 -0.315 37.4 167.7 -58.2 116.1 27.2 29.2 44.5 78 80 A K - 0 0 134 -2,-0.2 2,-0.1 118,-0.0 -1,-0.1 -0.867 30.8-138.7-130.4 91.9 30.8 29.2 45.6 79 81 A A - 0 0 24 -2,-0.4 119,-0.2 1,-0.2 3,-0.1 -0.307 21.6-177.7 -56.6 124.1 32.2 25.6 45.1 80 82 A S S S+ 0 0 67 117,-2.9 2,-0.3 1,-0.3 118,-0.2 0.537 74.6 25.4 -98.6 -10.2 34.4 24.6 48.0 81 83 A K E -O 197 0C 78 116,-1.4 116,-2.6 2,-0.0 2,-0.3 -0.978 63.8-172.9-154.9 139.4 35.2 21.2 46.4 82 84 A T E +O 196 0C 82 -2,-0.3 114,-0.2 114,-0.2 112,-0.0 -0.973 15.0 152.0-133.5 146.9 35.2 19.9 42.8 83 85 A F E -O 195 0C 30 112,-1.7 112,-3.4 -2,-0.3 2,-0.1 -0.917 33.6-114.8-172.6 145.7 35.7 16.4 41.5 84 86 A P E -O 194 0C 94 0, 0.0 2,-0.3 0, 0.0 110,-0.2 -0.376 21.7-171.5 -86.2 165.0 34.7 14.2 38.5 85 87 A L E -O 193 0C 16 108,-1.9 108,-2.4 -2,-0.1 2,-0.3 -0.979 2.6-170.8-152.6 144.4 32.6 11.1 38.2 86 88 A Q E -O 192 0C 117 -2,-0.3 106,-0.2 106,-0.2 105,-0.2 -0.994 59.6 -1.4-142.9 148.2 31.9 8.6 35.4 87 89 A Q E S+ 0 0 95 104,-1.9 2,-0.3 -2,-0.3 104,-0.2 0.884 87.7 138.8 40.8 63.6 29.6 5.7 34.7 88 90 A L E -O 190 0C 43 102,-1.2 102,-2.0 -3,-0.1 -1,-0.2 -0.976 50.1-119.4-137.9 150.9 27.7 5.7 38.0 89 91 A S E > -O 189 0C 43 -2,-0.3 4,-2.1 100,-0.2 100,-0.2 -0.275 36.7-103.2 -78.7 168.4 24.1 5.3 39.2 90 92 A Q H > S+ 0 0 28 98,-0.9 4,-2.7 1,-0.2 5,-0.2 0.948 122.8 50.3 -58.4 -49.8 22.2 8.0 41.1 91 93 A D H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.892 112.1 47.3 -55.1 -43.9 22.7 6.1 44.4 92 94 A D H > S+ 0 0 82 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.814 111.2 51.6 -69.2 -31.0 26.4 5.8 43.8 93 95 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.906 110.9 47.4 -71.7 -42.2 26.7 9.5 42.8 94 96 A F H X S+ 0 0 34 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.884 107.9 56.2 -65.6 -38.2 24.9 10.5 46.0 95 97 A A H X S+ 0 0 42 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.857 107.6 49.8 -62.0 -34.3 27.2 8.2 48.1 96 98 A Q H X S+ 0 0 69 -4,-1.3 4,-2.2 2,-0.2 3,-0.5 0.935 111.1 47.4 -69.0 -46.7 30.2 10.1 46.6 97 99 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.3 -2,-0.2 0.897 108.7 55.6 -61.2 -39.2 28.7 13.5 47.4 98 100 A K H < S+ 0 0 67 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.803 110.5 47.0 -63.1 -27.7 28.0 12.2 50.9 99 101 A N H < S+ 0 0 110 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.850 116.5 41.5 -81.1 -37.8 31.7 11.3 51.2 100 102 A E H < S+ 0 0 65 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.709 91.9 96.7 -85.5 -22.9 33.0 14.6 49.9 101 103 A X S < S- 0 0 12 -4,-2.5 3,-0.2 -5,-0.2 7,-0.1 -0.273 82.2-119.0 -65.2 157.0 30.6 17.0 51.7 102 104 A L S S- 0 0 70 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.878 86.7 -16.4 -64.4 -39.9 31.9 18.6 54.9 103 105 A S > - 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