==== 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 01-JUL-05 2A5Z . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN SO2946; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR B.NOCEK,L.BIGELOW,J.ABDULLAH,F.COLLART,A.JOACHIMIAK,MIDWEST . 722 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24961.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 476 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 310 42.9 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 68 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 2.5 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 0 0 3 0 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 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 . 9 11 0 2 6 6 16 0 3 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 . 3 3 0 0 0 3 1 2 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 24 A T 0 0 170 0, 0.0 248,-0.1 0, 0.0 246,-0.0 0.000 360.0 360.0 360.0 -14.7 70.2 40.3 39.1 2 25 A T - 0 0 111 245,-0.1 2,-0.1 246,-0.1 0, 0.0 -0.912 360.0-109.7-114.8 137.9 67.5 40.5 41.8 3 26 A P + 0 0 80 0, 0.0 2,-0.2 0, 0.0 244,-0.2 -0.412 57.0 141.4 -62.8 137.4 65.6 37.6 43.4 4 27 A G B -A 246 0A 25 242,-1.6 242,-2.7 1,-0.1 2,-0.0 -0.769 45.8 -41.9-154.1-162.9 62.0 37.5 42.3 5 28 A L - 0 0 105 -2,-0.2 2,-0.5 240,-0.2 485,-0.2 -0.312 55.8-109.3 -73.8 159.3 59.0 35.4 41.3 6 29 A X B -B 489 0B 1 483,-4.0 483,-1.5 -2,-0.0 478,-0.2 -0.835 31.7-125.5 -94.8 127.3 59.2 32.3 39.1 7 30 A S > - 0 0 33 -2,-0.5 4,-2.5 481,-0.2 5,-0.2 -0.325 16.2-120.8 -67.7 148.1 57.7 32.6 35.6 8 31 A P H > S+ 0 0 29 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.774 116.8 49.8 -61.5 -27.7 55.1 30.2 34.3 9 32 A S H > S+ 0 0 74 2,-0.2 4,-2.4 3,-0.2 5,-0.1 0.847 109.1 51.7 -77.0 -37.2 57.4 29.2 31.5 10 33 A E H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.899 111.3 46.8 -62.6 -43.1 60.3 28.7 33.9 11 34 A K H X S+ 0 0 50 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.810 111.1 52.9 -68.5 -29.0 58.0 26.4 36.0 12 35 A L H X S+ 0 0 62 -4,-1.0 4,-0.8 -5,-0.2 -2,-0.2 0.872 108.0 51.0 -72.2 -39.1 57.0 24.6 32.8 13 36 A K H >< S+ 0 0 74 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.900 111.4 47.3 -58.3 -47.8 60.7 24.1 32.0 14 37 A L H >< S+ 0 0 1 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.817 103.4 63.3 -65.5 -32.6 61.3 22.6 35.4 15 38 A S H 3< S+ 0 0 60 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.762 110.4 38.0 -64.9 -27.8 58.2 20.4 35.1 16 39 A T T << S+ 0 0 23 -4,-0.8 245,-0.3 -3,-0.6 2,-0.3 0.123 83.0 136.5-113.2 20.8 59.8 18.5 32.2 17 40 A L < - 0 0 17 -3,-1.2 2,-0.3 1,-0.1 10,-0.1 -0.514 61.7-114.9 -65.5 128.4 63.4 18.4 33.4 18 41 A T - 0 0 28 -2,-0.3 10,-0.2 1,-0.1 -1,-0.1 -0.544 39.1-105.6 -66.9 126.1 65.0 15.0 32.9 19 42 A T + 0 0 14 8,-2.9 3,-0.2 -2,-0.3 497,-0.1 -0.269 45.3 166.5 -58.5 128.3 65.8 13.5 36.2 20 43 A S S S+ 0 0 7 1,-0.4 2,-0.6 478,-0.1 496,-0.4 0.724 77.6 15.5-100.1 -76.9 69.4 13.5 37.3 21 44 A I S S- 0 0 28 480,-0.2 -1,-0.4 477,-0.1 2,-0.2 -0.890 88.4-136.9 -95.8 121.5 69.3 12.6 41.0 22 45 A A + 0 0 1 -2,-0.6 528,-0.1 528,-0.2 4,-0.1 -0.518 38.2 151.8 -78.0 142.5 65.9 11.2 41.9 23 46 A T S S- 0 0 45 2,-0.6 211,-2.3 -2,-0.2 -1,-0.2 0.429 78.6 -11.2-124.6 -73.9 64.1 12.3 45.1 24 47 A S S S+ 0 0 65 209,-0.2 208,-2.4 1,-0.1 2,-0.3 0.688 125.0 16.1-105.1 -26.8 60.3 12.1 44.9 25 48 A D E -C 231 0C 54 206,-0.3 -2,-0.6 209,-0.1 2,-0.4 -0.889 60.4-131.1-143.1 169.1 59.6 11.5 41.2 26 49 A F E +C 230 0C 2 204,-2.8 204,-2.3 -2,-0.3 2,-0.3 -0.989 22.3 174.9-124.8 139.4 61.1 10.5 37.9 27 50 A Y E +C 229 0C 7 -2,-0.4 -8,-2.9 202,-0.2 2,-0.3 -0.989 6.2 158.6-141.2 138.3 60.8 12.3 34.5 28 51 A A E +C 228 0C 0 200,-2.0 200,-3.5 -2,-0.3 2,-0.3 -0.971 6.8 172.4-152.2 144.3 62.3 11.7 31.1 29 52 A S E -C 227 0C 0 -2,-0.3 2,-0.3 198,-0.2 198,-0.2 -0.986 12.5-165.4-148.9 150.1 61.3 12.7 27.6 30 53 A Y E -C 226 0C 2 196,-2.2 196,-1.9 -2,-0.3 231,-0.1 -0.953 5.9-171.3-143.1 127.4 62.8 12.5 24.1 31 54 A D - 0 0 0 229,-0.4 194,-0.1 -2,-0.3 196,-0.0 0.193 41.0-121.2-104.2 8.8 61.5 14.5 21.1 32 55 A F + 0 0 3 1,-0.1 27,-0.2 194,-0.1 4,-0.1 0.878 69.7 129.1 56.1 49.8 63.6 12.8 18.4 33 56 A X + 0 0 1 33,-0.2 292,-0.4 25,-0.1 2,-0.2 0.471 43.9 101.4-106.5 -7.0 65.4 15.8 17.0 34 57 A X S S- 0 0 10 1,-0.1 2,-0.1 290,-0.1 251,-0.1 -0.499 86.1 -97.6 -85.4 147.5 69.0 14.4 17.2 35 58 A H - 0 0 22 249,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.446 39.5-152.3 -54.2 127.4 71.1 12.9 14.4 36 59 A S > + 0 0 22 -2,-0.1 3,-1.5 20,-0.1 2,-0.4 0.447 53.3 117.0-102.3 -0.8 70.4 9.2 14.9 37 60 A I T 3 S- 0 0 127 1,-0.3 3,-0.1 404,-0.0 -2,-0.0 -0.571 100.1 -6.1 -67.2 119.3 73.6 7.5 13.5 38 61 A G T 3 S+ 0 0 56 -2,-0.4 2,-0.9 1,-0.2 -1,-0.3 0.660 95.1 143.9 68.9 18.4 75.0 5.7 16.5 39 62 A L < + 0 0 20 -3,-1.5 -1,-0.2 1,-0.2 3,-0.1 -0.796 12.7 161.5 -93.2 105.4 72.5 7.2 18.9 40 63 A T + 0 0 73 -2,-0.9 7,-2.6 1,-0.2 2,-0.3 0.468 62.1 9.9-107.6 -4.6 71.7 4.5 21.5 41 64 A S E -I 46 0D 32 5,-0.3 2,-0.3 41,-0.0 -1,-0.2 -0.965 51.8-175.8-166.2 157.8 70.2 6.7 24.2 42 65 A A E > S-I 45 0D 8 3,-2.1 3,-2.2 -2,-0.3 -10,-0.0 -0.925 73.5 -5.0-156.4 133.3 68.9 10.2 25.1 43 66 A N T 3 S- 0 0 44 -2,-0.3 -14,-0.2 1,-0.3 -24,-0.1 0.876 130.2 -50.7 53.6 46.3 67.7 11.8 28.3 44 67 A N T 3 S+ 0 0 3 1,-0.2 2,-0.4 -16,-0.1 476,-0.3 0.188 113.8 119.4 77.9 -12.6 67.8 8.4 30.2 45 68 A I E < -I 42 0D 0 -3,-2.2 -3,-2.1 -16,-0.1 2,-0.2 -0.684 63.3-127.1 -94.8 133.2 65.8 6.6 27.5 46 69 A S E -IJ 41 83D 3 37,-3.0 37,-1.9 -2,-0.4 2,-0.5 -0.561 15.5-164.2 -74.8 137.9 67.2 3.6 25.5 47 70 A L E - J 0 82D 4 -7,-2.6 2,-0.6 -2,-0.2 35,-0.2 -0.862 20.2-175.4-126.2 90.9 67.1 4.0 21.7 48 71 A L E - J 0 81D 30 33,-3.2 33,-2.6 -2,-0.5 2,-0.4 -0.828 15.1-173.1-109.5 119.0 67.6 0.5 20.5 49 72 A S E + J 0 80D 62 -2,-0.6 2,-0.3 31,-0.2 31,-0.2 -0.876 13.3 170.9-102.8 137.0 68.0 -0.7 16.9 50 73 A T E > + J 0 79D 39 29,-2.1 3,-1.3 -2,-0.4 29,-0.9 -0.953 54.9 28.8-139.1 162.2 68.2 -4.4 16.1 51 74 A G T 3 S- 0 0 17 -2,-0.3 24,-0.5 1,-0.3 27,-0.2 0.754 124.0 -69.5 63.7 26.8 68.1 -6.6 12.9 52 75 A N T 3 S- 0 0 144 1,-0.1 -1,-0.3 21,-0.1 22,-0.1 0.800 74.7-168.0 58.5 34.3 69.6 -3.7 10.9 53 76 A I < - 0 0 14 -3,-1.3 2,-0.9 26,-0.3 19,-0.2 -0.135 21.2-118.7 -51.1 144.6 66.4 -1.7 11.2 54 77 A S E -P 71 0E 51 17,-2.6 17,-2.3 26,-0.0 2,-0.7 -0.783 23.6-164.4 -99.6 100.0 66.3 1.3 8.8 55 78 A L E -P 70 0E 44 -2,-0.9 15,-0.2 15,-0.2 3,-0.1 -0.745 17.7-149.3 -81.6 115.0 66.1 4.6 10.6 56 79 A Q - 0 0 72 13,-2.2 -20,-0.1 -2,-0.7 3,-0.1 -0.163 34.4 -63.8 -77.7 174.6 65.1 7.2 8.1 57 80 A N - 0 0 76 1,-0.1 -1,-0.2 11,-0.1 2,-0.1 -0.309 56.4-107.6 -60.1 140.2 66.0 10.9 8.1 58 81 A I + 0 0 7 10,-0.1 2,-0.3 -3,-0.1 10,-0.2 -0.438 49.1 168.0 -64.5 139.2 64.7 13.0 10.9 59 82 A L E -R 67 0F 65 8,-1.6 8,-2.5 -27,-0.2 2,-0.3 -0.926 28.9-132.5-142.1 170.3 61.9 15.4 9.9 60 83 A S E - 0 0 46 -2,-0.3 2,-0.3 6,-0.2 5,-0.2 -0.926 15.2-168.8-123.1 157.4 59.3 17.7 11.4 61 84 A E E > -R 64 0F 67 3,-2.1 3,-2.6 -2,-0.3 2,-0.2 -0.906 57.5 -51.5-152.1 109.2 55.6 17.9 10.4 62 85 A G T 3 S- 0 0 69 -2,-0.3 411,-0.1 1,-0.3 -1,-0.0 -0.422 126.0 -16.1 56.6-121.1 53.2 20.6 11.6 63 86 A N T 3 S+ 0 0 70 -2,-0.2 2,-1.4 411,-0.1 -1,-0.3 0.397 112.6 105.0 -93.7 1.4 53.6 20.8 15.4 64 87 A H E < -R 61 0F 7 -3,-2.6 -3,-2.1 411,-0.1 2,-0.6 -0.681 58.9-167.8 -81.8 88.6 55.3 17.3 15.4 65 88 A F E + 0 0 6 -2,-1.4 197,-0.2 -5,-0.2 -5,-0.2 -0.723 60.6 10.0 -87.1 117.2 58.8 18.6 16.0 66 89 A G E S- 0 0 0 -2,-0.6 2,-0.4 1,-0.1 -6,-0.2 0.880 74.3-171.8 77.6 99.6 61.4 15.9 15.5 67 90 A V E -R 59 0F 2 -8,-2.5 -8,-1.6 -3,-0.1 157,-0.2 -0.983 15.6-153.3-130.2 132.1 60.1 12.7 14.0 68 91 A Q B -D 223 0C 4 155,-2.8 155,-1.7 -2,-0.4 2,-0.2 -0.874 12.3-162.0-105.9 99.5 61.8 9.4 13.5 69 92 A P - 0 0 20 0, 0.0 -13,-2.2 0, 0.0 2,-0.4 -0.558 10.2-156.3 -76.8 148.7 60.4 7.4 10.6 70 93 A I E -P 55 0E 1 150,-0.4 150,-3.0 -15,-0.2 2,-0.3 -0.984 9.9-171.3-134.5 134.2 61.3 3.6 10.7 71 94 A V E -PQ 54 219E 21 -17,-2.3 -17,-2.6 -2,-0.4 148,-0.2 -0.969 26.3-105.6-131.7 145.2 61.5 1.1 7.8 72 95 A S - 0 0 3 146,-3.0 145,-1.4 -2,-0.3 2,-0.2 -0.122 29.5-155.1 -65.0 158.2 61.9 -2.7 7.7 73 96 A S - 0 0 10 2,-0.4 145,-0.1 140,-0.2 -20,-0.1 -0.516 38.4 -88.1-118.3-170.6 65.1 -4.5 6.8 74 97 A T S S+ 0 0 108 -2,-0.2 2,-0.5 -22,-0.1 140,-0.1 0.304 101.0 91.2 -86.0 7.6 65.9 -8.0 5.4 75 98 A T S > S- 0 0 58 -24,-0.5 3,-1.4 138,-0.1 -2,-0.4 -0.924 80.1-124.3-107.0 125.0 66.1 -9.4 8.9 76 99 A A T 3 S+ 0 0 41 -2,-0.5 136,-0.2 1,-0.2 138,-0.1 -0.374 93.8 19.0 -64.0 142.7 63.0 -10.9 10.5 77 100 A N T 3 S+ 0 0 43 134,-1.9 -1,-0.2 1,-0.2 135,-0.2 0.447 83.2 162.1 71.8 6.5 62.0 -9.3 13.8 78 101 A A < + 0 0 0 -3,-1.4 133,-2.3 133,-0.4 2,-0.3 -0.241 16.9 173.1 -51.4 139.7 64.1 -6.2 13.2 79 102 A S E -JK 50 210D 0 -29,-0.9 -29,-2.1 131,-0.2 2,-0.4 -0.978 38.7-138.6-152.4 157.0 62.9 -3.4 15.5 80 103 A F E -JK 49 209D 4 129,-2.2 129,-2.1 -2,-0.3 2,-0.5 -0.998 26.5-170.9-116.5 130.0 63.3 0.0 17.0 81 104 A L E -JK 48 208D 0 -33,-2.6 -33,-3.2 -2,-0.4 2,-0.6 -0.982 15.2-174.6-125.0 124.1 62.7 0.4 20.7 82 105 A A E +JK 47 207D 0 125,-2.6 125,-3.2 -2,-0.5 2,-0.3 -0.964 46.5 105.1-109.5 109.6 62.5 3.7 22.7 83 106 A G E -JK 46 206D 0 -37,-1.9 -37,-3.0 -2,-0.6 2,-0.3 -0.955 55.3-114.8-167.3-177.6 62.2 2.6 26.3 84 107 A X E - K 0 205D 3 121,-2.5 121,-2.8 -2,-0.3 2,-0.2 -0.863 42.0 -84.8-133.4 166.7 63.5 2.1 29.8 85 108 A L > - 0 0 7 433,-0.4 3,-0.6 -2,-0.3 4,-0.2 -0.487 26.6-141.9 -74.5 142.8 64.1 -0.8 32.2 86 109 A X G > S+ 0 0 0 112,-0.5 3,-1.8 114,-0.4 113,-0.2 0.767 91.4 75.1 -78.2 -25.2 61.2 -2.1 34.2 87 110 A A G 3 S+ 0 0 17 1,-0.3 -1,-0.2 111,-0.2 458,-0.2 0.791 95.0 50.6 -58.3 -31.3 63.3 -2.7 37.4 88 111 A I G < S+ 0 0 3 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.584 108.0 58.9 -83.0 -8.6 63.4 1.0 38.1 89 112 A F S < S+ 0 0 0 -3,-1.8 -1,-0.2 -4,-0.2 6,-0.1 -0.661 71.4 175.7-121.8 73.5 59.6 1.2 37.7 90 113 A P > - 0 0 43 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.213 51.8 -92.3 -69.1 170.4 58.0 -1.2 40.2 91 114 A K G > S+ 0 0 94 1,-0.3 3,-1.2 2,-0.2 81,-0.2 0.823 126.4 60.2 -54.8 -33.7 54.2 -1.2 40.5 92 115 A E G 3 S+ 0 0 118 1,-0.3 -1,-0.3 2,-0.1 78,-0.1 0.756 90.5 70.5 -65.2 -26.0 54.3 1.4 43.3 93 116 A S G < S- 0 0 4 -3,-1.6 138,-3.0 76,-0.1 -1,-0.3 0.726 90.2-149.5 -65.5 -24.9 56.0 3.8 40.9 94 117 A E < - 0 0 56 -3,-1.2 -3,-0.1 -4,-0.5 -2,-0.1 0.897 22.2-152.9 61.1 42.9 52.7 4.1 39.0 95 118 A L - 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