==== 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 02-MAR-07 2P17 . COMPND 2 MOLECULE: PIRIN-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR J.ZHU,J.T.SWINDELL II,L.CHEN,A.EBIHARA,A.SHINKAI,S.KURAMITSU . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10946.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 49.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 1 0.4 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 . 30 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 1 3 3 5 2 2 3 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 . 1 0 1 1 0 2 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 0 222 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -88.4 19.5 16.9 24.2 2 2 A A - 0 0 18 1,-0.1 2,-0.3 223,-0.1 223,-0.2 -0.217 360.0 -85.9 -66.9 157.0 22.3 17.9 21.8 3 3 A I E -a 225 0A 68 221,-1.8 223,-2.4 1,-0.1 2,-0.5 -0.488 49.0-133.1 -63.6 124.6 24.7 20.7 22.7 4 4 A Q E -a 226 0A 52 -2,-0.3 223,-0.2 221,-0.2 2,-0.1 -0.739 13.0-135.3 -88.3 121.6 23.1 23.9 21.6 5 5 A R - 0 0 0 221,-3.3 198,-2.2 -2,-0.5 223,-0.4 -0.416 16.5-147.3 -70.0 151.2 25.1 26.4 19.7 6 6 A R - 0 0 108 196,-0.3 211,-2.4 197,-0.1 2,-0.7 -0.727 21.7-109.4-110.5 160.4 25.0 30.1 20.6 7 7 A I E -E 216 0B 16 194,-0.3 209,-0.2 -2,-0.3 3,-0.1 -0.867 32.7-176.9 -90.0 113.2 25.3 33.2 18.3 8 8 A R E + 0 0 92 207,-2.4 2,-0.3 -2,-0.7 208,-0.2 0.663 65.3 9.4 -88.6 -17.1 28.7 34.6 19.3 9 9 A R E -E 215 0B 75 206,-0.9 206,-2.6 2,-0.0 2,-0.5 -0.961 57.1-149.6-162.6 143.5 28.5 37.7 17.0 10 10 A V E -E 214 0B 57 -2,-0.3 2,-0.5 204,-0.2 204,-0.2 -0.957 17.6-166.8-120.4 112.1 26.0 39.6 14.8 11 11 A K E -E 213 0B 61 202,-3.2 202,-2.7 -2,-0.5 2,-0.6 -0.849 9.1-153.3-101.4 131.8 27.4 41.4 11.8 12 12 A T E -E 212 0B 74 -2,-0.5 200,-0.2 200,-0.2 2,-0.1 -0.910 24.8-125.5-103.0 118.3 25.4 43.9 9.8 13 13 A V - 0 0 21 198,-2.6 2,-0.6 -2,-0.6 14,-0.1 -0.426 18.6-157.5 -67.4 130.8 26.6 44.2 6.2 14 14 A Q - 0 0 156 12,-0.4 12,-0.5 -2,-0.1 2,-0.2 -0.947 13.1-151.8-110.3 107.8 27.4 47.7 5.1 15 15 A X E -K 25 0C 52 -2,-0.6 2,-0.3 10,-0.2 10,-0.2 -0.517 10.3-165.8 -82.6 148.3 27.2 48.0 1.3 16 16 A T E -K 24 0C 83 8,-2.9 8,-2.6 -2,-0.2 2,-0.7 -0.940 24.5-114.7-129.9 153.2 29.3 50.5 -0.7 17 17 A T E +K 23 0C 88 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.802 29.2 175.9 -91.2 115.0 29.1 51.7 -4.3 18 18 A N E - 0 0 87 4,-2.1 5,-0.2 -2,-0.7 -1,-0.2 0.873 67.5 -25.4 -79.6 -44.0 32.2 50.6 -6.3 19 19 A S E > S-K 22 0C 44 3,-2.2 3,-1.4 0, 0.0 -1,-0.3 -0.924 76.6 -80.0-159.5 174.2 31.0 52.0 -9.6 20 20 A P T 3 S+ 0 0 128 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 0.690 132.7 36.9 -60.3 -16.5 27.8 52.8 -11.5 21 21 A I T 3 S+ 0 0 60 1,-0.2 27,-1.8 27,-0.1 2,-0.4 0.300 115.0 57.7-116.9 7.8 27.4 49.1 -12.3 22 22 A H E < +KL 19 47C 20 -3,-1.4 -3,-2.2 25,-0.2 -4,-2.1 -0.947 45.1 171.4-152.7 120.4 28.7 47.5 -9.0 23 23 A R E -KL 17 46C 96 23,-2.6 23,-2.8 -2,-0.4 2,-0.3 -0.941 19.2-178.8-118.5 148.3 27.8 47.7 -5.3 24 24 A S E -KL 16 45C 15 -8,-2.6 -8,-2.9 -2,-0.3 2,-0.3 -0.983 16.7-162.9-147.9 159.6 29.3 45.3 -2.8 25 25 A G E -KL 15 44C 4 19,-2.5 19,-3.1 -2,-0.3 2,-0.6 -0.998 21.3-129.1-144.1 140.0 29.4 44.4 0.9 26 26 A S E + L 0 43C 49 -12,-0.5 -12,-0.4 -2,-0.3 3,-0.2 -0.797 28.3 167.3 -89.0 120.6 31.8 42.4 3.0 27 27 A V E S+ 0 0 1 15,-2.7 2,-0.5 -2,-0.6 16,-0.2 0.830 84.4 18.3 -95.1 -52.0 30.1 39.6 5.0 28 28 A L E S- L 0 42C 1 14,-1.8 14,-1.9 8,-0.0 -1,-0.5 -0.988 92.4-138.3-115.7 115.2 33.3 37.9 6.1 29 29 A E - 0 0 73 -2,-0.5 3,-0.5 -3,-0.2 14,-0.0 -0.389 21.3-109.3 -70.5 148.8 36.2 40.3 5.6 30 30 A P S S+ 0 0 77 0, 0.0 11,-0.1 0, 0.0 -1,-0.1 -0.287 94.6 45.9 -71.4 164.6 39.4 38.9 4.2 31 31 A G S S+ 0 0 77 9,-0.3 3,-0.1 1,-0.0 10,-0.1 0.633 85.0 95.3 79.3 16.0 42.6 38.5 6.3 32 32 A N >> + 0 0 21 -3,-0.5 4,-1.6 8,-0.4 3,-1.4 -0.249 34.5 141.6-129.1 44.7 40.9 36.8 9.2 33 33 A W H 3> + 0 0 85 1,-0.3 4,-2.2 2,-0.2 6,-0.1 0.814 66.6 65.6 -54.4 -34.2 41.5 33.2 8.3 34 34 A Q H 34 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.797 108.2 37.3 -67.1 -29.1 42.0 32.4 12.0 35 35 A E H <4 S+ 0 0 49 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.812 124.8 37.1 -85.1 -34.3 38.5 33.2 12.9 36 36 A Y H >< S- 0 0 3 -4,-1.6 3,-2.6 3,-0.2 -2,-0.2 0.526 85.1-178.4-104.7 -6.8 36.7 31.8 9.8 37 37 A D T 3< S+ 0 0 8 -4,-2.2 205,-0.2 1,-0.4 3,-0.1 -0.032 72.5 24.4 -36.3 122.9 38.6 28.7 8.9 38 38 A P T 3 S+ 0 0 0 0, 0.0 79,-3.2 0, 0.0 -1,-0.4 -0.962 117.9 72.2 -90.3 5.6 37.9 27.0 6.5 39 39 A F E < - M 0 116C 1 -3,-2.6 77,-0.2 77,-0.2 -3,-0.2 -0.593 51.6-174.3 -86.4 144.7 36.3 30.1 5.0 40 40 A L E - 0 0 27 75,-2.7 -8,-0.4 1,-0.4 2,-0.3 0.700 64.8 -23.9-108.1 -29.3 38.5 32.9 3.7 41 41 A L E - M 0 115C 15 74,-0.9 74,-2.5 -11,-0.1 -1,-0.4 -0.955 43.9-149.6-172.5 160.7 35.8 35.5 2.8 42 42 A L E -LM 28 114C 0 -14,-1.9 -15,-2.7 -2,-0.3 -14,-1.8 -0.925 21.4-172.7-143.0 120.5 32.2 36.1 1.8 43 43 A X E -LM 26 113C 64 70,-2.4 70,-3.1 -2,-0.3 2,-0.5 -0.934 15.6-148.1-119.4 136.4 31.3 39.0 -0.4 44 44 A E E -LM 25 112C 11 -19,-3.1 -19,-2.5 -2,-0.4 2,-0.4 -0.883 23.8-175.5 -99.1 131.4 27.9 40.3 -1.5 45 45 A D E -LM 24 111C 7 66,-2.4 66,-2.7 -2,-0.5 2,-0.5 -0.986 23.4-171.5-131.4 139.2 27.8 41.8 -5.0 46 46 A I E +LM 23 110C 44 -23,-2.8 -23,-2.6 -2,-0.4 2,-0.3 -0.985 36.8 156.3-121.8 117.0 25.1 43.6 -7.0 47 47 A F E -LM 22 109C 4 62,-2.5 62,-2.6 -2,-0.5 -25,-0.2 -0.964 34.7-140.7-149.4 155.8 26.5 44.0 -10.5 48 48 A E > - 0 0 85 -27,-1.8 3,-1.6 -2,-0.3 60,-0.1 -0.638 50.8 -63.8-110.4 169.9 25.7 44.5 -14.2 49 49 A R T 3 S+ 0 0 115 58,-0.5 -1,-0.1 55,-0.3 53,-0.1 -0.261 120.1 27.2 -54.1 132.6 27.3 43.1 -17.4 50 50 A G T 3 S+ 0 0 44 2,-0.1 -1,-0.2 53,-0.1 52,-0.1 0.362 83.6 116.9 96.2 -2.2 30.9 44.1 -17.8 51 51 A T < + 0 0 28 -3,-1.6 2,-0.2 -30,-0.1 -2,-0.1 0.945 69.7 44.5 -61.7 -53.1 31.7 44.6 -14.1 52 52 A F - 0 0 60 49,-0.4 2,-0.2 3,-0.0 -2,-0.1 -0.635 66.7-148.6-101.7 152.6 34.4 41.9 -13.8 53 53 A D - 0 0 108 -2,-0.2 2,-0.3 1,-0.1 48,-0.2 -0.629 42.5 -79.5-104.2 169.6 37.4 40.8 -15.9 54 54 A V + 0 0 75 -2,-0.2 46,-0.2 46,-0.1 -1,-0.1 -0.542 58.0 178.2 -70.6 132.9 38.8 37.3 -16.3 55 55 A H E -Q 99 0D 94 44,-2.1 44,-2.1 -2,-0.3 2,-0.2 -0.997 24.8-121.9-140.9 142.5 41.0 36.5 -13.3 56 56 A P E -Q 98 0D 94 0, 0.0 2,-0.3 0, 0.0 42,-0.2 -0.495 23.9-175.2 -76.5 151.3 43.1 33.5 -12.1 57 57 A H E +Q 97 0D 38 40,-2.5 40,-1.9 -2,-0.2 2,-0.3 -0.976 3.8 176.6-136.7 152.3 42.6 31.7 -8.8 58 58 A R + 0 0 192 -2,-0.3 37,-0.2 38,-0.2 36,-0.1 -0.990 58.7 19.8-150.0 149.3 44.6 28.9 -7.2 59 59 A G S S+ 0 0 8 35,-2.7 59,-1.5 64,-0.7 2,-0.3 0.598 107.0 73.7 75.9 12.6 44.6 26.9 -3.9 60 60 A I E -N 117 0C 16 57,-0.2 33,-2.3 34,-0.2 34,-1.0 -0.853 69.1-128.1-141.9 170.4 41.0 27.8 -3.0 61 61 A E E -NO 116 92C 0 55,-2.5 55,-2.9 -2,-0.3 2,-0.4 -0.956 17.7-152.3-117.5 149.5 37.4 27.0 -3.9 62 62 A T E -NO 115 91C 3 29,-2.7 29,-3.3 -2,-0.3 2,-0.5 -0.965 5.9-165.4-118.9 142.8 34.8 29.6 -4.7 63 63 A V E -NO 114 90C 0 51,-2.6 51,-3.0 -2,-0.4 2,-0.4 -0.982 5.7-164.0-130.6 118.4 31.1 29.1 -4.1 64 64 A T E -NO 113 89C 1 25,-2.1 25,-1.9 -2,-0.5 2,-0.5 -0.876 7.0-170.1-107.3 131.5 28.5 31.4 -5.7 65 65 A Y E -NO 112 88C 3 47,-2.4 47,-2.5 -2,-0.4 2,-0.7 -0.992 16.8-145.1-113.5 125.3 24.9 31.7 -4.6 66 66 A V E -N 111 0C 0 21,-2.5 20,-3.2 -2,-0.5 45,-0.3 -0.818 17.7-179.6 -92.0 115.4 22.7 33.8 -7.0 67 67 A I E S- 0 0 39 43,-2.7 2,-0.3 -2,-0.7 44,-0.2 0.932 70.7 -14.4 -75.5 -48.6 20.0 35.7 -5.0 68 68 A S E S+N 110 0C 53 42,-1.6 42,-2.4 17,-0.1 -1,-0.3 -0.972 101.6 43.1-152.3 161.1 18.5 37.3 -8.1 69 69 A G S S- 0 0 15 -2,-0.3 2,-0.5 40,-0.2 40,-0.2 -0.226 81.7 -72.9 90.7 175.6 19.3 37.9 -11.8 70 70 A E - 0 0 95 34,-0.2 34,-2.6 14,-0.2 2,-0.4 -0.962 45.9-159.8-116.8 119.3 20.8 35.7 -14.5 71 71 A L E -RS 83 103D 2 12,-2.9 12,-2.4 -2,-0.5 2,-0.6 -0.840 9.6-153.2-106.2 134.8 24.5 34.9 -14.3 72 72 A E E -RS 82 102D 57 30,-2.8 30,-2.9 -2,-0.4 2,-0.4 -0.927 19.1-160.1-101.1 122.4 26.8 33.7 -17.0 73 73 A H E -RS 81 101D 0 8,-2.8 8,-2.3 -2,-0.6 2,-0.4 -0.843 11.1-178.6-103.8 138.9 29.8 31.7 -15.7 74 74 A F E +RS 80 100D 60 26,-2.0 26,-2.0 -2,-0.4 2,-0.3 -1.000 6.2 166.1-128.3 139.1 33.1 31.1 -17.5 75 75 A D E > -RS 79 99D 2 4,-1.6 4,-2.3 -2,-0.4 24,-0.2 -0.987 40.5-123.4-142.3 158.5 36.1 29.1 -16.4 76 76 A S T 4 S+ 0 0 69 22,-2.0 23,-0.1 -2,-0.3 4,-0.1 0.438 107.4 49.1 -80.2 0.5 39.1 27.8 -18.2 77 77 A K T 4 S+ 0 0 121 21,-0.3 -1,-0.2 2,-0.2 20,-0.0 0.846 128.6 13.5 -94.7 -55.9 38.5 24.1 -17.2 78 78 A A T 4 S- 0 0 62 1,-0.3 2,-0.3 50,-0.0 -2,-0.2 0.569 92.0-146.0-103.1 -14.3 34.8 23.6 -18.0 79 79 A G E < +R 75 0D 21 -4,-2.3 -4,-1.6 2,-0.0 2,-0.3 -0.660 53.1 8.3 87.1-135.5 34.0 26.6 -20.2 80 80 A H E +R 74 0D 145 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.652 58.5 152.1 -97.0 141.0 30.5 28.3 -20.1 81 81 A S E -R 73 0D 26 -8,-2.3 -8,-2.8 -2,-0.3 2,-0.3 -0.907 27.1-133.5-146.9 173.1 27.6 27.7 -17.8 82 82 A T E -R 72 0D 73 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.945 9.7-164.6-131.7 155.7 24.6 29.7 -16.4 83 83 A L E -R 71 0D 1 -12,-2.4 -12,-2.9 -2,-0.3 3,-0.1 -0.993 6.6-169.0-135.1 142.1 23.0 30.3 -13.1 84 84 A G > - 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