==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JAN-04 1S5U . COMPND 2 MOLECULE: PROTEIN YBGC; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.KIM,A.JOACHIMIAK,T.SKARINA,A.SAVCHENKO,A.EDWARDS,MIDWEST . 1042 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 798 76.6 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 . 380 36.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 81 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 14 1 0 0 0 0 0 0 0 0 0 0 8 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 . 13 3 0 0 4 8 1 5 10 8 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 0 0 4 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 4 A T 0 0 167 0, 0.0 2,-0.6 0, 0.0 78,-0.4 0.000 360.0 360.0 360.0 135.1 30.6 21.2 -3.2 2 5 A L - 0 0 62 76,-0.1 2,-0.4 74,-0.0 76,-0.2 -0.899 360.0-158.7-107.3 117.6 27.4 20.2 -1.3 3 6 A F E -A 77 0A 30 74,-2.8 74,-2.7 -2,-0.6 2,-0.4 -0.772 8.3-160.1 -94.5 134.8 27.8 18.0 1.8 4 7 A R E -A 76 0A 132 -2,-0.4 72,-0.2 72,-0.2 70,-0.0 -0.929 10.3-179.1-118.4 140.8 24.7 15.9 2.9 5 8 A W E -A 75 0A 65 70,-2.0 70,-3.0 -2,-0.4 2,-0.2 -0.966 19.1-137.7-142.1 121.8 24.1 14.4 6.3 6 9 A P E -A 74 0A 76 0, 0.0 2,-0.3 0, 0.0 68,-0.2 -0.518 19.6-175.7 -79.4 145.5 21.1 12.4 7.5 7 10 A V E -A 73 0A 6 66,-2.2 66,-3.7 -2,-0.2 2,-0.4 -0.965 14.0-149.7-143.9 122.9 19.4 13.0 10.9 8 11 A R E -A 72 0A 60 -2,-0.3 2,-0.5 64,-0.2 64,-0.2 -0.761 22.5-125.8 -91.6 138.3 16.6 11.0 12.4 9 12 A V - 0 0 0 62,-2.3 61,-2.1 -2,-0.4 2,-0.2 -0.738 31.5-177.2 -88.8 124.6 14.2 12.9 14.8 10 13 A Y >> - 0 0 14 -2,-0.5 3,-2.0 59,-0.2 4,-0.6 -0.657 44.7 -94.7-113.6 170.0 13.8 11.3 18.2 11 14 A Y G >4 S+ 0 0 60 1,-0.3 3,-1.4 -2,-0.2 264,-0.3 0.871 122.0 64.3 -52.6 -38.2 11.7 12.3 21.2 12 15 A E G 34 S+ 0 0 43 1,-0.3 -1,-0.3 405,-0.1 268,-0.1 0.742 102.0 50.4 -57.8 -24.3 14.6 14.2 22.7 13 16 A D G <4 S+ 0 0 8 -3,-2.0 8,-2.7 7,-0.1 -1,-0.3 0.587 101.5 75.6 -90.9 -13.6 14.5 16.6 19.6 14 17 A T B << -L 20 0B 3 -3,-1.4 2,-0.2 -4,-0.6 6,-0.2 -0.492 62.7-152.6 -97.5 166.7 10.7 17.3 19.9 15 18 A D > - 0 0 16 4,-2.1 3,-2.8 259,-0.2 4,-0.2 -0.785 41.5 -83.3-130.5 176.2 8.7 19.5 22.2 16 19 A A T 3 S+ 0 0 32 254,-0.3 258,-0.1 1,-0.3 255,-0.0 0.666 119.4 71.8 -54.9 -19.3 5.2 19.7 23.6 17 20 A G T 3 S- 0 0 33 2,-0.2 -1,-0.3 253,-0.1 3,-0.1 0.632 114.2-114.2 -72.6 -13.0 4.1 21.5 20.5 18 21 A G S < S+ 0 0 25 -3,-2.8 51,-0.4 1,-0.4 2,-0.2 0.556 84.6 83.1 92.1 9.9 4.5 18.2 18.6 19 22 A V S S- 0 0 17 -4,-0.2 -4,-2.1 49,-0.1 -1,-0.4 -0.780 91.8 -64.5-134.9 176.4 7.4 19.3 16.4 20 23 A V B -L 14 0B 6 47,-2.0 -6,-0.3 -6,-0.2 2,-0.2 -0.451 56.3-112.7 -67.2 134.7 11.2 19.6 16.6 21 24 A Y >> - 0 0 14 -8,-2.7 3,-1.9 -2,-0.1 4,-1.0 -0.483 23.8-123.8 -66.7 135.0 12.3 22.3 19.1 22 25 A H H 3> S+ 0 0 22 1,-0.3 4,-0.8 2,-0.2 3,-0.4 0.809 110.3 54.2 -55.2 -31.3 13.9 25.2 17.3 23 26 A A H 3> S+ 0 0 9 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.717 98.0 65.6 -74.9 -19.1 17.2 24.9 19.2 24 27 A S H <> S+ 0 0 18 -3,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.863 95.8 55.6 -69.6 -35.1 17.4 21.3 18.2 25 28 A Y H X S+ 0 0 8 -4,-1.0 4,-2.4 -3,-0.4 -1,-0.2 0.869 101.8 58.3 -63.6 -36.2 17.9 22.3 14.6 26 29 A V H X S+ 0 0 5 -4,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.923 106.9 47.3 -59.1 -42.7 20.8 24.4 15.7 27 30 A A H X S+ 0 0 7 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.912 108.7 54.4 -65.4 -40.7 22.4 21.3 17.1 28 31 A F H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.898 106.4 52.6 -59.5 -40.3 21.7 19.4 13.9 29 32 A Y H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.890 108.5 50.3 -62.1 -39.1 23.5 22.1 11.9 30 33 A E H X S+ 0 0 11 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.923 107.7 52.8 -65.6 -44.1 26.5 21.7 14.2 31 34 A R H X S+ 0 0 16 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.911 108.7 51.7 -56.2 -42.8 26.6 18.0 13.6 32 35 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.886 108.6 48.2 -63.4 -41.8 26.6 18.6 9.9 33 36 A R H X S+ 0 0 18 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.897 112.2 51.6 -66.2 -37.6 29.5 21.0 10.0 34 37 A T H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.910 109.9 48.1 -64.4 -41.7 31.3 18.4 12.1 35 38 A E H X S+ 0 0 12 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.831 106.8 56.7 -70.0 -30.4 30.6 15.6 9.7 36 39 A M H X S+ 0 0 10 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.941 109.6 46.5 -64.1 -44.5 31.8 17.8 6.8 37 40 A L H ><>S+ 0 0 7 -4,-2.0 5,-2.0 1,-0.2 3,-1.1 0.922 110.5 51.8 -61.6 -44.6 35.1 18.2 8.6 38 41 A R H ><5S+ 0 0 44 -4,-2.3 3,-2.2 1,-0.3 -1,-0.2 0.843 100.6 63.1 -61.4 -33.8 35.3 14.4 9.3 39 42 A H H 3<5S+ 0 0 121 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.803 104.1 48.8 -60.7 -28.3 34.7 13.8 5.6 40 43 A H T <<5S- 0 0 39 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.142 127.2-102.4 -97.5 17.2 38.0 15.6 5.1 41 44 A H T < 5S+ 0 0 161 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.741 77.1 137.9 70.1 26.7 39.7 13.5 7.8 42 45 A F < - 0 0 29 -5,-2.0 2,-0.5 -8,-0.1 -1,-0.2 -0.900 35.1-164.3-109.1 132.0 39.7 16.2 10.5 43 46 A S > - 0 0 39 -2,-0.5 4,-2.7 1,-0.1 5,-0.1 -0.963 12.7-156.3-115.7 122.4 38.8 15.5 14.1 44 47 A Q H > S+ 0 0 10 -2,-0.5 4,-2.1 2,-0.2 8,-0.1 0.760 97.5 56.8 -68.0 -24.8 37.9 18.3 16.4 45 48 A Q H > S+ 0 0 60 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.931 111.8 42.8 -69.7 -43.7 38.9 16.3 19.5 46 49 A A H > S+ 0 0 53 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.906 113.1 53.2 -66.4 -43.3 42.3 15.9 17.9 47 50 A L H ><>S+ 0 0 10 -4,-2.7 5,-1.9 1,-0.2 3,-1.7 0.884 99.5 60.4 -61.2 -41.7 42.4 19.5 16.9 48 51 A M H ><5S+ 0 0 35 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.886 100.2 57.6 -54.5 -37.0 41.6 20.8 20.4 49 52 A A H 3<5S+ 0 0 86 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.743 106.5 48.0 -64.5 -23.9 44.9 19.1 21.5 50 53 A E T <<5S- 0 0 133 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.226 124.7-107.7 -98.5 11.3 46.7 21.2 18.9 51 54 A R T < 5S+ 0 0 99 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.878 79.6 129.2 62.6 42.5 44.9 24.3 20.2 52 55 A V < + 0 0 5 -5,-1.9 2,-0.3 60,-0.2 -2,-0.2 -0.990 24.6 150.0-128.9 120.7 42.6 24.6 17.2 53 56 A A E -B 111 0A 7 58,-2.2 58,-3.1 -2,-0.4 2,-0.4 -0.940 35.1-128.6-145.0 166.2 38.9 24.9 17.6 54 57 A F E -B 110 0A 31 -2,-0.3 2,-0.4 56,-0.2 56,-0.2 -0.973 21.6-175.7-123.9 132.4 35.9 26.5 15.8 55 58 A V E -B 109 0A 52 54,-2.4 54,-2.7 -2,-0.4 2,-0.5 -0.953 30.9-112.0-128.0 147.5 33.3 28.7 17.4 56 59 A V E +B 108 0A 14 -2,-0.4 52,-0.2 52,-0.2 3,-0.1 -0.646 31.8 175.2 -77.8 123.6 30.1 30.2 16.1 57 60 A R E S+ 0 0 82 50,-3.1 135,-2.8 -2,-0.5 2,-0.3 0.789 70.3 0.8 -95.9 -38.0 30.5 34.0 15.8 58 61 A K E -BC 107 191A 85 49,-1.3 49,-3.2 133,-0.2 -1,-0.4 -0.982 64.1-179.4-152.9 141.5 27.1 34.8 14.2 59 62 A M E -BC 106 190A 6 131,-2.2 131,-2.5 -2,-0.3 2,-0.4 -0.980 6.9-171.9-148.8 130.1 24.2 32.7 13.1 60 63 A T E -BC 105 189A 38 45,-2.0 45,-1.9 -2,-0.3 2,-0.4 -0.990 9.3-175.6-122.7 129.0 20.9 33.5 11.4 61 64 A V E -BC 104 188A 5 127,-2.7 127,-2.4 -2,-0.4 2,-0.5 -0.992 8.4-163.6-126.9 132.6 18.2 30.8 11.0 62 65 A E E -BC 103 187A 47 41,-2.5 41,-1.9 -2,-0.4 2,-0.4 -0.972 12.1-150.3-116.8 128.8 14.9 31.2 9.2 63 66 A Y E +B 102 0A 25 123,-2.5 39,-0.3 -2,-0.5 38,-0.1 -0.849 27.3 158.1-103.4 132.9 12.2 28.6 9.9 64 67 A Y + 0 0 86 37,-3.3 38,-0.2 -2,-0.4 37,-0.2 0.727 64.7 8.8-118.1 -42.6 9.6 27.7 7.2 65 68 A A S S- 0 0 30 36,-1.9 -1,-0.4 34,-0.1 2,-0.1 -0.988 73.4-110.5-144.2 152.2 8.1 24.2 8.1 66 69 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 36,-0.0 -0.410 13.6-143.6 -86.8 160.4 8.3 21.8 11.0 67 70 A A - 0 0 0 -47,-0.1 -47,-2.0 -2,-0.1 2,-0.3 -0.846 23.9-153.6-112.0 151.3 9.9 18.4 11.3 68 71 A R > - 0 0 124 -2,-0.3 3,-2.3 -49,-0.2 -59,-0.2 -0.796 32.7 -60.2-126.9 171.3 8.2 15.7 13.4 69 72 A L T 3 S+ 0 0 38 -51,-0.4 -59,-0.2 -2,-0.3 -1,-0.1 -0.205 120.7 9.1 -50.1 129.6 8.9 12.6 15.5 70 73 A D T 3 S+ 0 0 23 -61,-2.1 -1,-0.3 1,-0.3 -60,-0.1 0.349 88.0 142.2 79.1 -2.3 10.6 9.9 13.4 71 74 A D < - 0 0 54 -3,-2.3 -62,-2.3 -63,-0.1 2,-0.7 -0.403 49.0-135.2 -65.7 145.0 11.1 12.1 10.3 72 75 A M E -A 8 0A 82 -64,-0.2 -64,-0.2 -3,-0.1 24,-0.2 -0.931 30.9-168.3-103.4 117.4 14.4 11.4 8.5 73 76 A L E -A 7 0A 3 -66,-3.7 -66,-2.2 -2,-0.7 2,-0.4 -0.569 17.3-141.9-103.2 167.6 16.0 14.7 7.7 74 77 A E E -AD 6 94A 52 20,-2.4 20,-2.2 -68,-0.2 2,-0.5 -0.996 8.0-155.5-130.4 125.7 18.9 15.8 5.5 75 78 A I E -AD 5 93A 0 -70,-3.0 -70,-2.0 -2,-0.4 2,-0.5 -0.894 12.4-157.4-100.1 127.3 21.2 18.6 6.6 76 79 A Q E -AD 4 92A 15 16,-3.0 16,-1.8 -2,-0.5 2,-0.4 -0.913 11.4-172.9-108.7 132.9 22.9 20.3 3.6 77 80 A T E +AD 3 91A 0 -74,-2.7 -74,-2.8 -2,-0.5 2,-0.3 -0.984 11.6 168.4-132.6 137.9 26.1 22.2 4.1 78 81 A E E - 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