==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-MAY-10 2KYI . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFITOBACTERIUM HAFNIENSE; . AUTHOR Y.YANG,T.A.RAMELOT,J.R.CORT,H.WANG,C.CICCOSANTI,E.L.FOOTE,M. . 142 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8961.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 82.4 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 . 68 47.9 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.8 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 . 39 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.9 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+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 0 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 . 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 . 0 1 0 0 0 7 1 0 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 . 0 0 0 0 0 0 0 0 1 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 20 A M 0 0 230 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.5 0.7 20.0 -4.0 2 21 A D - 0 0 93 2,-0.1 3,-0.1 1,-0.1 54,-0.0 0.809 360.0-156.7 -81.4 -32.2 -2.4 17.9 -4.4 3 22 A N + 0 0 47 1,-0.3 2,-0.4 53,-0.0 54,-0.2 0.340 48.4 128.9 73.7 -7.4 -1.2 15.4 -1.7 4 23 A R - 0 0 81 52,-0.2 2,-0.4 50,-0.1 52,-0.3 -0.681 41.9-163.3 -78.4 129.6 -3.3 12.7 -3.2 5 24 A Q E -A 55 0A 4 50,-3.0 50,-1.3 -2,-0.4 2,-0.6 -0.882 16.2-128.4-113.4 145.7 -1.4 9.5 -3.8 6 25 A F E -A 54 0A 85 -2,-0.4 76,-1.0 48,-0.2 2,-0.6 -0.854 24.1-172.1 -97.8 118.3 -2.5 6.7 -6.0 7 26 A L E -AB 53 81A 6 46,-3.1 46,-3.3 -2,-0.6 2,-0.4 -0.944 4.7-179.9-114.3 116.3 -2.4 3.3 -4.3 8 27 A S E -AB 52 80A 17 72,-2.3 72,-1.6 -2,-0.6 2,-0.4 -0.960 0.4-179.6-119.9 132.5 -3.1 0.2 -6.5 9 28 A L E -A 51 0A 7 42,-2.8 42,-2.8 -2,-0.4 2,-0.3 -0.995 11.5-155.9-133.3 134.4 -3.1 -3.4 -5.2 10 29 A T E S+A 50 0A 20 68,-0.4 40,-0.2 -2,-0.4 3,-0.1 -0.761 71.6 51.9-103.2 154.9 -3.6 -6.7 -7.0 11 30 A G + 0 0 25 38,-2.1 2,-0.9 -2,-0.3 17,-0.7 0.730 63.0 152.9 93.8 24.2 -4.9 -9.8 -5.4 12 31 A V E +C 27 0A 1 37,-2.6 -1,-0.2 -3,-0.3 15,-0.2 -0.796 15.1 175.3 -90.5 106.6 -7.9 -8.4 -3.7 13 32 A S E + 0 0 73 13,-1.0 2,-0.3 -2,-0.9 -1,-0.2 0.870 63.5 5.0 -81.0 -38.8 -10.4 -11.2 -3.4 14 33 A K E -C 26 0A 102 12,-2.0 12,-3.1 35,-0.1 2,-0.4 -0.986 63.6-129.1-146.8 150.2 -13.1 -9.4 -1.4 15 34 A V E -C 25 0A 56 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.853 16.7-173.6 -99.2 139.6 -13.9 -6.0 -0.1 16 35 A Q E - 0 0 86 8,-3.1 2,-0.3 -2,-0.4 9,-0.2 0.888 67.5 -5.7 -94.5 -58.9 -14.9 -5.7 3.6 17 36 A S E -C 24 0A 57 7,-1.2 7,-2.7 2,-0.1 2,-0.6 -0.999 57.2-152.8-143.8 140.3 -16.0 -2.1 4.0 18 37 A F E +C 23 0A 111 -2,-0.3 5,-0.2 5,-0.2 22,-0.0 -0.923 28.8 149.5-121.4 105.3 -16.0 0.9 1.7 19 38 A D E > -C 22 0A 83 3,-1.1 3,-1.4 -2,-0.6 -2,-0.1 -1.000 51.3-124.9-133.2 136.9 -15.7 4.4 3.1 20 39 A P T 3 S+ 0 0 74 0, 0.0 19,-2.9 0, 0.0 18,-0.7 0.301 115.7 38.8 -65.1 13.0 -14.1 7.5 1.5 21 40 A K T 3 S+ 0 0 90 1,-0.2 15,-2.2 17,-0.2 2,-0.3 0.441 125.9 29.4-129.9 -15.2 -12.0 7.8 4.6 22 41 A E E < -CD 19 35A 95 -3,-1.4 -3,-1.1 13,-0.2 2,-0.5 -0.880 62.7-167.4-155.6 111.6 -11.3 4.1 5.3 23 42 A I E -CD 18 34A 2 11,-2.5 11,-3.3 -2,-0.3 2,-0.6 -0.886 3.9-165.3-105.6 128.0 -11.0 1.2 2.9 24 43 A L E -CD 17 33A 36 -7,-2.7 -8,-3.1 -2,-0.5 -7,-1.2 -0.947 10.1-177.0-115.4 114.3 -11.0 -2.4 4.1 25 44 A L E -CD 15 32A 5 7,-2.1 7,-2.7 -2,-0.6 2,-0.8 -0.919 23.0-139.8-115.1 135.6 -9.9 -5.0 1.7 26 45 A E E +CD 14 31A 60 -12,-3.1 -12,-2.0 -2,-0.4 -13,-1.0 -0.824 43.6 154.3 -92.3 105.3 -9.8 -8.8 2.2 27 46 A T E > -CD 12 30A 0 3,-3.0 3,-0.8 -2,-0.8 -15,-0.2 -0.590 54.6 -68.9-125.7-170.5 -6.6 -10.0 0.6 28 47 A I T 3 S+ 0 0 70 -17,-0.7 3,-0.1 1,-0.3 102,-0.1 0.867 126.5 31.0 -51.2 -56.3 -4.1 -12.8 0.7 29 48 A Q T 3 S- 0 0 54 100,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.538 127.7 -78.5 -88.1 -4.3 -2.3 -12.1 4.0 30 49 A G E < S-D 27 0A 23 -3,-0.8 -3,-3.0 34,-0.1 2,-0.5 -0.997 76.9 -17.7 147.2-151.2 -5.4 -10.6 5.7 31 50 A V E -D 26 0A 49 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.835 52.0-148.2 -98.6 125.7 -7.4 -7.4 5.8 32 51 A L E -D 25 0A 6 -7,-2.7 -7,-2.1 -2,-0.5 2,-0.8 -0.822 8.5-155.3 -95.0 118.2 -5.7 -4.2 4.5 33 52 A S E -DE 24 61A 31 28,-3.1 28,-2.8 -2,-0.6 2,-0.6 -0.840 7.5-167.4 -98.7 106.1 -6.8 -1.1 6.3 34 53 A I E -DE 23 60A 3 -11,-3.3 -11,-2.5 -2,-0.8 2,-0.4 -0.849 9.8-174.7 -95.3 118.7 -6.4 2.0 4.1 35 54 A K E +DE 22 59A 69 24,-2.3 23,-3.1 -2,-0.6 24,-1.4 -0.916 28.2 82.4-116.6 139.6 -6.8 5.2 6.1 36 55 A G E S- E 0 57A 5 -15,-2.2 2,-0.4 -2,-0.4 21,-0.3 -0.965 71.3 -50.7 171.0-149.9 -6.8 8.7 4.8 37 56 A E E S+ E 0 56A 100 19,-2.2 19,-2.9 -2,-0.3 -16,-0.2 -0.984 107.0 3.4-124.7 134.7 -8.8 11.5 3.2 38 57 A K E S- 0 0 91 -18,-0.7 2,-1.5 -2,-0.4 -1,-0.2 0.977 71.1-175.7 57.2 61.3 -11.0 11.2 0.1 39 58 A L E + 0 0 0 -19,-2.9 2,-0.3 -3,-0.2 16,-0.2 -0.588 17.4 159.8 -89.1 73.2 -10.3 7.5 -0.4 40 59 A G E - E 0 54A 18 14,-1.7 14,-3.2 -2,-1.5 2,-0.2 -0.717 40.6-114.3 -96.7 149.7 -12.1 7.0 -3.7 41 60 A I E - E 0 53A 66 -2,-0.3 12,-0.3 12,-0.2 -1,-0.0 -0.512 18.2-130.5 -81.3 152.8 -11.6 4.1 -6.1 42 61 A K S S- 0 0 113 10,-3.0 2,-0.2 -2,-0.2 11,-0.1 0.821 72.9 -39.2 -75.0 -32.6 -10.1 4.8 -9.5 43 62 A H S S- 0 0 88 9,-0.4 2,-1.9 0, 0.0 -2,-0.1 -0.663 106.9 -16.7-162.3-150.2 -12.7 2.9 -11.6 44 63 A L S S+ 0 0 152 -2,-0.2 3,-0.1 2,-0.1 2,-0.1 -0.606 83.4 175.1 -74.3 84.2 -14.7 -0.3 -11.6 45 64 A D + 0 0 16 -2,-1.9 2,-1.5 1,-0.2 6,-0.2 -0.191 46.2 46.7 -91.1-178.9 -12.5 -1.8 -9.0 46 65 A L S > S+ 0 0 59 4,-1.5 3,-1.7 1,-0.3 -1,-0.2 -0.201 89.1 108.7 76.1 -42.5 -12.7 -5.1 -7.0 47 66 A K G > S+ 0 0 156 -2,-1.5 3,-1.4 1,-0.3 -1,-0.3 -0.316 82.2 17.8 -59.9 144.4 -13.4 -6.7 -10.4 48 67 A A G 3 S- 0 0 108 1,-0.3 -1,-0.3 -3,-0.1 -37,-0.2 0.413 126.6 -82.3 69.5 -0.9 -10.4 -8.8 -11.8 49 68 A G G < S+ 0 0 21 -3,-1.7 -37,-2.6 1,-0.3 -38,-2.1 0.734 100.4 118.3 80.2 23.2 -9.1 -8.8 -8.2 50 69 A Q E < -A 10 0A 70 -3,-1.4 -4,-1.5 -40,-0.2 2,-0.4 -0.974 41.4-170.2-126.7 137.0 -7.5 -5.4 -8.5 51 70 A V E -A 9 0A 8 -42,-2.8 -42,-2.8 -2,-0.4 2,-0.5 -0.983 2.6-173.0-131.2 121.9 -8.2 -2.3 -6.5 52 71 A E E -A 8 0A 58 -2,-0.4 -10,-3.0 -44,-0.3 -9,-0.4 -0.964 10.9-177.5-111.2 123.0 -6.9 1.2 -7.3 53 72 A V E -AE 7 41A 5 -46,-3.3 -46,-3.1 -2,-0.5 2,-0.4 -0.938 9.2-161.8-121.5 144.5 -7.6 4.0 -4.8 54 73 A E E +AE 6 40A 17 -14,-3.2 -14,-1.7 -2,-0.4 2,-0.3 -0.943 36.2 91.7-120.5 144.9 -6.8 7.6 -4.9 55 74 A G E S-A 5 0A 0 -50,-1.3 -50,-3.0 -2,-0.4 2,-1.4 -0.915 79.2 -59.8 160.3-179.9 -6.7 10.0 -2.0 56 75 A L E - 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