==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-NOV-03 1RI6 . COMPND 2 MOLECULE: PUTATIVE ISOMERASE YBHE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.D.LIMA,R.KNIEWEL,V.SOLORZANO,J.WU,S.K.BURLEY,NEW YORK SGX . 333 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 69.1 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 . 150 45.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 37 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 . 1 1 2 2 2 8 5 1 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 6 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 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 2 A S 0 0 145 0, 0.0 2,-0.1 0, 0.0 331,-0.1 0.000 360.0 360.0 360.0 156.2 -10.8 18.1 71.4 2 3 A L - 0 0 104 331,-0.2 2,-0.4 329,-0.1 331,-0.2 -0.315 360.0-175.2 -61.4 129.5 -7.1 17.3 71.4 3 4 A K E -A 332 0A 68 329,-1.8 329,-3.2 -2,-0.1 2,-0.4 -0.992 3.7-174.0-126.2 134.0 -6.1 13.7 72.1 4 5 A Q E -AB 331 21A 10 17,-0.7 17,-2.5 -2,-0.4 2,-0.4 -0.982 11.8-158.3-132.7 144.4 -2.5 12.6 72.4 5 6 A T E -AB 330 20A 1 325,-2.8 325,-2.7 -2,-0.4 2,-0.5 -0.972 8.9-151.6-122.1 133.0 -0.8 9.2 72.8 6 7 A V E -AB 329 19A 0 13,-3.3 13,-2.9 -2,-0.4 2,-0.5 -0.905 9.2-160.1-106.0 127.9 2.7 8.7 74.2 7 8 A Y E -AB 328 18A 0 321,-3.1 321,-1.7 -2,-0.5 2,-0.4 -0.923 4.8-168.3-111.2 131.0 4.8 5.8 73.1 8 9 A I E -AB 327 17A 0 9,-2.0 9,-2.0 -2,-0.5 2,-0.5 -0.965 10.3-148.5-121.1 129.2 7.7 4.4 75.1 9 10 A A E +AB 326 16A 0 317,-2.2 316,-2.1 -2,-0.4 317,-0.7 -0.842 14.5 179.4 -98.4 124.1 10.3 2.0 73.8 10 11 A S E > > + B 0 15A 0 5,-2.8 5,-2.4 -2,-0.5 3,-0.6 -0.821 1.2 179.4-124.4 88.9 11.8 -0.4 76.3 11 12 A P G > 5S+ 0 0 6 0, 0.0 3,-1.3 0, 0.0 28,-0.2 0.882 74.4 60.1 -55.9 -47.2 14.3 -2.7 74.4 12 13 A E G 3 5S+ 0 0 105 310,-0.8 311,-0.2 1,-0.3 26,-0.1 0.812 117.2 31.2 -57.0 -33.9 15.5 -4.8 77.3 13 14 A S G < 5S- 0 0 36 309,-0.9 -1,-0.3 -3,-0.6 3,-0.1 0.302 108.9-125.3-104.9 7.1 12.0 -6.1 78.1 14 15 A Q T < 5 + 0 0 76 -3,-1.3 21,-2.0 -4,-0.3 2,-0.3 0.914 64.2 133.9 49.7 52.9 11.1 -5.9 74.4 15 16 A Q E < -BC 10 34A 45 -5,-2.4 -5,-2.8 19,-0.2 2,-0.4 -0.913 48.3-155.8-132.6 157.5 8.0 -3.8 75.1 16 17 A I E -BC 9 33A 0 17,-1.7 17,-3.4 -2,-0.3 2,-0.5 -0.988 18.4-151.3-131.0 119.1 6.3 -0.7 73.9 17 18 A H E -BC 8 32A 15 -9,-2.0 -9,-2.0 -2,-0.4 2,-0.6 -0.830 5.3-155.2 -96.9 127.9 4.1 1.1 76.4 18 19 A V E -BC 7 31A 0 13,-3.5 12,-3.4 -2,-0.5 13,-1.6 -0.899 16.6-179.6-106.4 116.0 1.1 3.1 75.0 19 20 A W E -BC 6 29A 16 -13,-2.9 -13,-3.3 -2,-0.6 2,-0.4 -0.893 24.5-137.2-119.0 145.8 -0.2 6.0 77.2 20 21 A N E -BC 5 28A 46 8,-2.3 8,-1.3 -2,-0.4 2,-0.6 -0.839 20.2-153.8 -96.7 134.3 -3.0 8.5 76.7 21 22 A L E -BC 4 27A 5 -17,-2.5 -17,-0.7 -2,-0.4 6,-0.2 -0.943 9.7-163.4-112.9 114.4 -2.0 12.0 77.8 22 23 A N > - 0 0 59 4,-2.2 3,-1.9 -2,-0.6 -19,-0.1 -0.324 39.8 -92.2 -88.8 177.7 -4.8 14.3 78.9 23 24 A H T 3 S+ 0 0 143 1,-0.3 -1,-0.1 2,-0.1 -20,-0.0 0.636 124.0 58.8 -64.9 -14.2 -4.7 18.2 79.2 24 25 A E T 3 S- 0 0 102 2,-0.1 -1,-0.3 280,-0.0 3,-0.1 0.483 117.9-109.5 -92.5 -3.9 -3.6 17.9 82.9 25 26 A G S < S+ 0 0 2 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.515 72.5 140.5 89.3 5.3 -0.5 15.9 82.0 26 27 A A - 0 0 37 289,-0.0 -4,-2.2 1,-0.0 2,-0.3 -0.596 38.2-150.3 -83.3 143.2 -1.8 12.7 83.5 27 28 A L E -C 21 0A 12 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.854 8.7-164.8-114.4 150.3 -1.2 9.4 81.6 28 29 A T E -C 20 0A 77 -8,-1.3 -8,-2.3 -2,-0.3 2,-0.5 -1.000 31.2-112.5-133.2 130.7 -3.3 6.3 81.5 29 30 A L E +C 19 0A 89 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.497 38.4 170.1 -67.4 116.6 -1.9 3.0 80.3 30 31 A T E - 0 0 46 -12,-3.4 2,-0.3 -2,-0.5 -11,-0.2 0.797 61.8 -10.6 -96.0 -37.3 -3.7 2.1 77.1 31 32 A Q E -C 18 0A 54 -13,-1.6 -13,-3.5 40,-0.1 2,-0.5 -0.984 45.0-147.6-164.6 150.8 -1.6 -0.9 75.9 32 33 A V E -C 17 0A 55 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.971 25.1-154.9-124.1 111.5 1.6 -2.8 76.4 33 34 A V E -C 16 0A 12 -17,-3.4 -17,-1.7 -2,-0.5 2,-0.9 -0.756 8.1-147.3 -93.5 130.5 3.1 -4.2 73.2 34 35 A D E -C 15 0A 125 -2,-0.4 -19,-0.2 -19,-0.2 -20,-0.1 -0.847 22.6-156.7 -95.2 105.4 5.3 -7.3 73.3 35 36 A V - 0 0 6 -21,-2.0 2,-2.3 -2,-0.9 4,-0.1 -0.624 22.9-123.0 -85.9 140.7 7.7 -6.7 70.4 36 37 A P S S+ 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.206 91.8 9.4 -76.3 49.8 9.4 -9.7 68.7 37 38 A G S S- 0 0 4 -2,-2.3 2,-1.1 -23,-0.2 -2,-0.2 -0.880 105.2 -55.4 158.6 171.1 12.8 -8.0 69.5 38 39 A Q - 0 0 69 18,-2.9 18,-0.5 -2,-0.3 2,-0.3 -0.638 56.0-154.2 -78.8 99.0 14.5 -5.2 71.3 39 40 A V + 0 0 0 -2,-1.1 16,-0.2 -29,-0.3 -24,-0.2 -0.550 29.5 150.7 -77.6 134.4 12.7 -2.1 70.1 40 41 A Q + 0 0 31 14,-2.2 -1,-0.1 1,-0.4 285,-0.1 0.457 50.5 42.2-127.0 -85.4 14.7 1.2 70.2 41 42 A P + 0 0 0 0, 0.0 13,-2.0 0, 0.0 -1,-0.4 -0.375 62.8 178.3 -71.9 149.3 14.1 4.0 67.7 42 43 A M E +D 53 0B 3 11,-0.2 2,-0.3 46,-0.2 11,-0.2 -0.993 9.4 176.1-147.1 150.1 10.5 4.9 66.8 43 44 A V E -D 52 0B 31 9,-2.0 9,-2.8 -2,-0.3 2,-0.3 -0.973 26.4-125.3-156.4 141.4 8.7 7.5 64.6 44 45 A V E -D 51 0B 26 -2,-0.3 7,-0.2 7,-0.2 46,-0.1 -0.676 34.5-111.0 -87.9 141.1 5.2 8.3 63.6 45 46 A S > - 0 0 4 5,-3.0 3,-1.9 -2,-0.3 -1,-0.1 -0.320 27.9-112.6 -66.4 152.7 4.3 8.4 59.9 46 47 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 0.875 121.4 46.6 -54.9 -38.1 3.4 11.9 58.6 47 48 A D T 3 S- 0 0 84 46,-0.1 -2,-0.1 1,-0.0 46,-0.0 0.420 109.6-128.0 -85.2 1.8 -0.2 10.7 58.0 48 49 A K S < S+ 0 0 81 -3,-1.9 18,-0.1 2,-0.2 3,-0.1 0.592 77.6 116.2 63.7 14.8 -0.2 9.2 61.4 49 50 A R S S+ 0 0 67 1,-0.1 17,-2.7 16,-0.1 2,-0.3 0.757 74.6 32.4 -82.5 -26.0 -1.4 5.8 60.1 50 51 A Y E - E 0 65B 18 15,-0.2 -5,-3.0 23,-0.0 2,-0.5 -0.936 58.3-147.3-136.0 158.3 1.7 3.9 61.2 51 52 A L E -DE 44 64B 0 13,-2.4 13,-2.3 -2,-0.3 2,-0.5 -0.988 21.8-156.5-120.3 116.9 4.5 3.8 63.8 52 53 A Y E +DE 43 63B 1 -9,-2.8 -9,-2.0 -2,-0.5 2,-0.3 -0.833 17.5 175.6 -98.2 132.4 7.8 2.6 62.4 53 54 A V E -DE 42 62B 0 9,-2.3 9,-3.3 -2,-0.5 2,-0.4 -0.951 23.3-132.5-134.9 155.7 10.2 1.1 64.9 54 55 A G E - E 0 61B 1 -13,-2.0 -14,-2.2 -2,-0.3 2,-0.3 -0.856 25.5-175.6-109.3 145.1 13.6 -0.6 64.7 55 56 A V E > - E 0 60B 2 5,-1.8 5,-1.1 -2,-0.4 30,-0.3 -0.900 6.6-127.5-136.8 165.8 14.6 -3.8 66.4 56 57 A R T 5S+ 0 0 68 -18,-0.5 -18,-2.9 -2,-0.3 28,-0.0 -0.905 72.7 40.1-149.8 168.3 17.5 -6.2 67.1 57 58 A P T 5S+ 0 0 109 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.988 127.9 44.7 -71.2 -1.8 19.2 -8.8 67.2 58 59 A E T 5S- 0 0 117 2,-0.1 2,-0.2 22,-0.0 -3,-0.2 -0.855 97.9-132.3-107.7 95.4 17.4 -9.3 63.9 59 60 A F T 5 + 0 0 64 -2,-0.8 22,-2.0 22,-0.1 2,-0.3 -0.265 49.0 138.0 -53.1 110.1 17.8 -5.9 62.2 60 61 A R E < -EF 55 80B 19 -5,-1.1 -5,-1.8 20,-0.3 2,-0.5 -0.984 52.9-126.3-152.2 156.6 14.4 -4.9 60.9 61 62 A V E -EF 54 79B 0 18,-3.0 18,-2.1 -2,-0.3 2,-0.5 -0.928 31.5-156.7-102.7 129.9 12.0 -1.9 60.6 62 63 A L E -EF 53 78B 0 -9,-3.3 -9,-2.3 -2,-0.5 2,-0.6 -0.943 2.5-151.6-112.0 132.8 8.6 -2.9 62.0 63 64 A A E -EF 52 77B 0 14,-2.8 13,-2.6 -2,-0.5 14,-1.7 -0.910 12.1-171.4-106.0 121.6 5.5 -1.1 60.9 64 65 A Y E -EF 51 75B 8 -13,-2.3 -13,-2.4 -2,-0.6 11,-0.2 -0.946 23.4-125.2-113.1 131.4 2.6 -1.0 63.4 65 66 A R E -EF 50 74B 95 9,-2.8 9,-1.3 -2,-0.5 2,-0.6 -0.537 23.1-138.3 -73.5 137.7 -0.8 0.3 62.4 66 67 A I E - F 0 73B 4 -17,-2.7 7,-0.2 -2,-0.2 6,-0.1 -0.885 11.2-131.6-102.4 116.1 -2.0 3.1 64.8 67 68 A A > - 0 0 33 5,-2.7 4,-2.0 -2,-0.6 5,-0.1 -0.500 12.9-143.6 -64.9 121.8 -5.6 3.0 65.8 68 69 A P T 4 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -19,-0.0 0.653 93.0 52.2 -62.9 -14.8 -7.0 6.5 65.2 69 70 A D T 4 S- 0 0 112 3,-0.1 263,-0.1 1,-0.0 -2,-0.0 0.958 132.6 -0.9 -86.2 -63.7 -9.2 6.3 68.3 70 71 A D T 4 S- 0 0 72 2,-0.0 -40,-0.1 -50,-0.0 -3,-0.1 0.323 93.1-115.2-112.1 5.6 -7.0 5.2 71.2 71 72 A G < + 0 0 0 -4,-2.0 -52,-0.1 1,-0.2 -40,-0.1 0.636 54.2 166.5 71.5 14.0 -3.6 4.9 69.4 72 73 A A - 0 0 21 -6,-0.1 -5,-2.7 -5,-0.1 2,-0.4 -0.223 28.5-129.3 -59.8 152.9 -3.4 1.1 70.0 73 74 A L E +F 66 0B 5 -7,-0.2 2,-0.4 -23,-0.0 -7,-0.2 -0.853 24.9 178.9-112.8 143.7 -0.8 -0.7 67.9 74 75 A T E -F 65 0B 86 -9,-1.3 -9,-2.8 -2,-0.4 -41,-0.0 -0.989 37.4-104.8-142.4 130.7 -1.0 -3.8 65.7 75 76 A F E +F 64 0B 101 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.254 44.6 161.1 -53.8 133.2 1.8 -5.4 63.7 76 77 A A E - 0 0 42 -13,-2.6 2,-0.3 1,-0.4 -12,-0.2 0.662 55.9 -16.6-123.1 -43.1 1.4 -4.7 60.0 77 78 A A E -F 63 0B 18 -14,-1.7 -14,-2.8 2,-0.0 -1,-0.4 -0.982 45.7-149.9-160.6 169.7 4.7 -5.4 58.3 78 79 A E E -F 62 0B 93 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.994 7.5-171.6-148.6 145.7 8.5 -5.8 58.6 79 80 A S E -F 61 0B 13 -18,-2.1 -18,-3.0 -2,-0.3 2,-0.1 -0.994 25.7-118.9-142.5 131.0 11.5 -5.1 56.4 80 81 A A E -F 60 0B 69 -2,-0.4 -20,-0.3 -20,-0.2 40,-0.2 -0.388 23.5-159.9 -72.9 145.8 15.1 -6.1 56.9 81 82 A L - 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