==== 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 ISOMERASE 25-OCT-04 1XTZ . COMPND 2 MOLECULE: RIBOSE-5-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.GRAILLE,P.MEYER,N.LEULLIOT,I.SOREL,J.JANIN,H.VAN TILBEURGH . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 15.0 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 . 5 2.0 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-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 . 15 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 1 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 0 PARALLEL BRIDGES PER LADDER . 1 4 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 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 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 19 A E > 0 0 119 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -46.4 26.5 17.0 37.1 2 20 A D H > + 0 0 91 2,-0.2 4,-1.2 1,-0.2 3,-0.2 0.927 360.0 39.2 -37.3 -64.3 23.9 19.7 36.9 3 21 A A H > S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.900 109.7 61.0 -61.9 -50.0 22.5 18.9 40.3 4 22 A K H > S+ 0 0 26 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.851 106.3 45.7 -44.0 -48.8 25.9 18.2 41.9 5 23 A R H X S+ 0 0 140 -4,-2.0 4,-2.1 -3,-0.2 -1,-0.2 0.817 107.1 59.0 -68.3 -35.1 27.1 21.8 41.2 6 24 A A H X S+ 0 0 25 -4,-1.2 4,-1.6 -3,-0.3 -2,-0.2 0.938 108.1 44.1 -58.3 -50.1 23.9 23.4 42.5 7 25 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.917 111.6 55.4 -62.6 -45.6 24.2 21.9 46.0 8 26 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.876 105.8 48.0 -59.4 -48.5 28.0 22.7 46.2 9 27 A Y H X S+ 0 0 33 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.915 114.1 46.7 -64.2 -46.0 27.7 26.5 45.5 10 28 A R H X S+ 0 0 64 -4,-1.6 4,-2.9 -5,-0.2 5,-0.3 0.934 110.2 54.6 -59.9 -44.4 24.9 27.0 48.1 11 29 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 5,-0.3 0.927 115.1 38.8 -54.4 -47.8 26.9 24.8 50.7 12 30 A V H >X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 3,-0.6 0.980 116.5 49.2 -68.2 -55.7 30.0 27.0 50.4 13 31 A D H 3< S+ 0 0 62 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.892 117.9 40.6 -52.2 -45.8 28.2 30.4 50.1 14 32 A E H 3< S+ 0 0 87 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.751 128.3 26.6 -76.4 -23.4 26.0 29.7 53.1 15 33 A N H << S+ 0 0 14 -4,-1.2 2,-0.7 -3,-0.6 -2,-0.2 0.667 89.7 93.4-119.4 -22.1 28.6 28.1 55.4 16 34 A L < - 0 0 9 -4,-3.2 2,-0.9 -5,-0.3 3,-0.1 -0.683 59.1-159.1 -81.3 115.5 32.1 29.2 54.6 17 35 A K >> - 0 0 125 -2,-0.7 4,-3.6 1,-0.2 3,-0.9 -0.825 9.3-165.0-102.6 98.2 32.7 32.2 57.0 18 36 A F T 34 S+ 0 0 35 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.0 0.751 91.3 50.3 -54.9 -24.1 35.5 34.3 55.5 19 37 A D T 34 S+ 0 0 160 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.810 124.3 24.5 -81.6 -31.9 35.8 36.0 59.0 20 38 A D T <4 S+ 0 0 112 -3,-0.9 2,-0.4 1,-0.1 -2,-0.2 0.757 106.7 75.2-103.7 -30.9 36.0 32.8 61.0 21 39 A H < + 0 0 24 -4,-3.6 3,-0.1 1,-0.2 -1,-0.1 -0.757 30.9 142.4-106.2 128.7 37.4 30.0 58.8 22 40 A K + 0 0 117 -2,-0.4 34,-2.8 1,-0.2 2,-0.6 0.585 65.6 62.4-126.2 -35.6 40.9 29.5 57.6 23 41 A I E -a 56 0A 20 32,-0.2 62,-1.9 60,-0.1 63,-1.6 -0.900 68.7-174.3-104.5 114.2 41.5 25.7 57.6 24 42 A I E -ab 57 86A 0 32,-2.6 34,-2.8 -2,-0.6 2,-0.4 -0.940 18.9-143.0-119.9 125.2 39.2 24.0 55.2 25 43 A G E -ab 58 87A 0 61,-2.8 63,-2.4 -2,-0.5 2,-0.5 -0.679 15.6-162.1 -82.3 128.5 38.7 20.3 54.7 26 44 A I E -ab 59 88A 0 32,-2.9 34,-0.5 -2,-0.4 63,-0.2 -0.973 15.0-142.7-118.5 123.9 38.1 19.4 51.0 27 45 A G - 0 0 1 61,-1.7 33,-0.1 -2,-0.5 62,-0.1 -0.064 21.6-106.5 -87.8-177.7 36.6 16.0 50.4 28 46 A S + 0 0 16 32,-0.1 61,-0.1 62,-0.1 35,-0.1 0.353 69.2 138.4 -94.2 8.0 37.0 13.1 47.9 29 47 A G - 0 0 12 1,-0.1 96,-0.1 59,-0.1 4,-0.0 0.258 58.6-147.5 -35.5 155.3 33.6 13.8 46.1 30 48 A S S S+ 0 0 70 2,-0.1 -1,-0.1 3,-0.0 4,-0.1 0.170 114.4 46.8 -99.8 2.0 32.7 13.8 42.4 31 49 A T S > S+ 0 0 3 93,-0.2 3,-1.0 2,-0.1 4,-0.4 0.519 97.5 68.2-109.5 -26.6 30.3 16.6 43.7 32 50 A V T >> S+ 0 0 0 1,-0.2 3,-2.3 2,-0.2 4,-2.3 0.827 78.2 84.6 -66.1 -26.8 33.0 18.3 45.7 33 51 A V H 3> S+ 0 0 45 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.866 93.9 45.3 -36.8 -45.7 34.5 19.2 42.3 34 52 A Y H <> S+ 0 0 33 -3,-1.0 4,-2.0 2,-0.2 -1,-0.3 0.659 107.3 57.7 -81.8 -16.8 32.1 22.1 42.4 35 53 A V H <> S+ 0 0 0 -3,-2.3 4,-2.6 -4,-0.4 -2,-0.2 0.959 111.0 41.9 -70.5 -53.2 33.0 22.9 46.1 36 54 A A H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.903 115.3 53.6 -60.1 -39.8 36.7 23.4 45.2 37 55 A E H X S+ 0 0 65 -4,-2.0 4,-2.3 -5,-0.4 -1,-0.2 0.923 109.1 46.7 -59.6 -48.9 35.5 25.2 42.1 38 56 A R H X S+ 0 0 56 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.932 113.5 47.3 -60.3 -48.4 33.4 27.6 44.1 39 57 A I H >X S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.9 0.939 111.1 53.2 -57.6 -48.5 36.1 28.2 46.7 40 58 A G H >X S+ 0 0 2 -4,-3.2 4,-1.1 1,-0.3 3,-0.9 0.877 103.0 58.9 -50.9 -42.8 38.6 28.8 43.7 41 59 A Q H 3< S+ 0 0 69 -4,-2.3 -1,-0.3 1,-0.3 3,-0.2 0.823 100.0 55.2 -58.6 -34.6 36.2 31.3 42.3 42 60 A Y H X< S+ 0 0 35 -4,-1.2 3,-0.6 -3,-0.9 6,-0.4 0.746 104.2 55.4 -69.2 -25.3 36.4 33.5 45.4 43 61 A L H << S+ 0 0 18 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.726 102.9 54.9 -78.8 -26.8 40.1 33.6 45.0 44 62 A H T 3< S+ 0 0 152 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.418 92.1 92.7 -81.5 -0.2 39.6 35.0 41.5 45 63 A D S X> S- 0 0 48 -3,-0.6 4,-2.7 1,-0.1 3,-1.1 -0.863 71.6-146.9-101.0 119.5 37.5 37.8 43.0 46 64 A P T 34 S+ 0 0 121 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.768 100.2 59.4 -55.9 -25.9 39.5 41.0 43.9 47 65 A K T 34 S+ 0 0 153 1,-0.1 4,-0.2 2,-0.1 3,-0.1 0.906 121.8 20.2 -67.0 -37.4 37.1 41.4 46.9 48 66 A F T <> S+ 0 0 59 -3,-1.1 4,-3.6 -6,-0.4 5,-0.3 0.555 93.9 99.1-113.4 -13.8 38.0 38.0 48.5 49 67 A Y H X S+ 0 0 113 -4,-2.7 4,-2.1 1,-0.2 5,-0.1 0.834 84.5 50.7 -43.7 -44.8 41.4 37.1 46.9 50 68 A E H 4 S+ 0 0 113 -4,-0.4 4,-0.4 2,-0.2 -1,-0.2 0.943 117.7 36.7 -68.8 -45.5 43.4 38.4 49.9 51 69 A V H >4 S+ 0 0 67 -4,-0.2 3,-1.3 -3,-0.2 4,-0.3 0.935 119.3 48.9 -67.9 -45.3 41.4 36.4 52.5 52 70 A A H >< S+ 0 0 2 -4,-3.6 3,-1.0 1,-0.3 -2,-0.2 0.772 101.0 66.3 -69.4 -25.9 41.0 33.3 50.2 53 71 A S T 3< S+ 0 0 31 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.712 101.9 49.9 -56.9 -30.6 44.8 33.4 49.5 54 72 A K T < S+ 0 0 116 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.438 81.7 114.1 -95.0 -6.2 45.3 32.5 53.1 55 73 A F < - 0 0 1 -3,-1.0 19,-0.6 -4,-0.3 2,-0.5 -0.461 56.0-150.1 -60.1 139.5 42.8 29.6 53.3 56 74 A I E -ac 23 74A 18 -34,-2.8 -32,-2.6 17,-0.1 2,-0.4 -0.990 10.2-152.4-115.4 123.8 44.7 26.3 53.9 57 75 A C E -ac 24 75A 0 17,-2.7 19,-3.1 -2,-0.5 -32,-0.2 -0.831 1.8-153.8-106.4 129.1 42.9 23.4 52.3 58 76 A I E -a 25 0A 0 -34,-2.8 -32,-2.9 -2,-0.4 19,-0.1 -0.885 17.1-141.4-107.9 123.4 43.3 19.9 53.8 59 77 A P E -a 26 0A 23 0, 0.0 19,-0.2 0, 0.0 -32,-0.1 -0.392 14.7-149.7 -88.1 163.7 42.8 17.0 51.4 60 78 A T S S- 0 0 1 -34,-0.5 51,-0.3 1,-0.3 2,-0.3 0.188 74.8 -53.7-112.9 8.1 41.1 13.6 51.9 61 79 A G S > S- 0 0 5 49,-0.1 4,-3.0 1,-0.1 -1,-0.3 -0.929 87.4 -34.4 155.5-148.7 43.4 11.9 49.4 62 80 A F H > S+ 0 0 144 -2,-0.3 4,-2.5 2,-0.2 -1,-0.1 0.839 127.2 42.9 -74.1 -41.8 44.6 12.2 45.8 63 81 A Q H > S+ 0 0 133 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.855 118.8 48.8 -65.5 -40.4 41.6 13.6 43.8 64 82 A S H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.940 109.7 49.8 -60.8 -54.4 41.0 16.0 46.6 65 83 A R H X S+ 0 0 126 -4,-3.0 4,-2.2 1,-0.2 3,-0.2 0.945 114.2 48.7 -51.9 -46.0 44.7 17.0 46.7 66 84 A N H X S+ 0 0 102 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.871 106.3 52.9 -59.6 -44.5 44.3 17.5 43.0 67 85 A L H X S+ 0 0 23 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.833 110.6 49.9 -60.9 -36.8 41.1 19.6 43.1 68 86 A I H <>S+ 0 0 0 -4,-1.9 5,-2.4 -3,-0.2 3,-0.3 0.957 115.0 41.4 -64.9 -53.1 42.8 21.9 45.6 69 87 A L H ><5S+ 0 0 70 -4,-2.2 3,-2.2 1,-0.3 -2,-0.2 0.928 112.6 53.0 -68.3 -43.4 46.0 22.5 43.5 70 88 A D H 3<5S+ 0 0 91 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.792 108.4 51.5 -66.6 -22.2 44.2 22.7 40.3 71 89 A N T 3<5S- 0 0 26 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.358 116.5-118.1 -92.4 6.7 41.9 25.4 41.8 72 90 A K T < 5 + 0 0 151 -3,-2.2 2,-0.2 1,-0.2 -3,-0.2 0.702 64.7 144.8 64.9 28.9 45.1 27.3 42.9 73 91 A L < - 0 0 6 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.2 -0.628 59.3 -94.1 -93.7 154.6 44.3 27.0 46.6 74 92 A Q E -c 56 0A 99 -19,-0.6 -17,-2.7 -2,-0.2 2,-0.5 -0.483 38.5-141.5 -68.9 136.8 47.0 26.5 49.3 75 93 A L E +c 57 0A 58 -2,-0.2 2,-0.2 -19,-0.2 -17,-0.2 -0.847 25.4 172.1-104.6 123.4 47.5 22.8 50.1 76 94 A G - 0 0 9 -19,-3.1 2,-0.4 -2,-0.5 3,-0.0 -0.752 27.1-118.5-119.1 176.1 48.1 21.8 53.8 77 95 A S >> - 0 0 38 -2,-0.2 4,-2.8 -19,-0.1 3,-0.6 -0.904 16.6-128.2-115.7 147.4 48.4 18.5 55.6 78 96 A I T 34 S+ 0 0 22 -2,-0.4 -1,-0.1 1,-0.2 -20,-0.0 0.781 109.2 60.2 -58.6 -26.2 46.2 17.3 58.4 79 97 A E T 34 S+ 0 0 158 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.874 112.9 35.8 -70.2 -38.1 49.3 16.6 60.5 80 98 A Q T <4 S+ 0 0 135 -3,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.841 129.1 36.5 -83.5 -36.2 50.4 20.2 60.4 81 99 A Y < + 0 0 66 -4,-2.8 -1,-0.2 1,-0.1 -2,-0.1 -0.614 68.7 157.5-114.4 70.1 46.8 21.6 60.6 82 100 A P + 0 0 57 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.708 60.3 68.9 -73.2 -19.6 45.0 19.2 62.9 83 101 A R S S- 0 0 193 35,-0.0 2,-0.3 36,-0.0 35,-0.2 -0.842 73.2-166.1-101.6 103.5 42.2 21.6 63.9 84 102 A I E - d 0 118A 0 33,-2.2 35,-1.9 -2,-0.9 -60,-0.2 -0.695 14.1-156.6 -93.7 137.9 40.0 22.1 60.9 85 103 A D E S- 0 0 24 -62,-1.9 35,-1.0 -2,-0.3 2,-0.3 0.929 75.4 -5.1 -76.6 -49.6 37.5 25.0 60.8 86 104 A I E -bd 24 120A 0 -63,-1.6 -61,-2.8 33,-0.2 2,-0.4 -0.993 62.4-163.0-148.5 140.4 35.1 23.6 58.2 87 105 A A E -bd 25 121A 2 33,-2.3 35,-3.1 -2,-0.3 2,-0.4 -0.981 1.6-163.2-126.6 141.8 35.1 20.5 55.9 88 106 A F E +bd 26 122A 1 -63,-2.4 -61,-1.7 -2,-0.4 2,-0.3 -0.977 23.3 149.1-118.7 136.8 33.0 19.8 52.8 89 107 A D E - d 0 123A 2 33,-1.9 35,-2.4 -2,-0.4 2,-0.1 -0.968 37.7-111.1-157.8 166.9 32.6 16.3 51.4 90 108 A G - 0 0 6 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.180 25.3-149.7 -86.9-175.1 30.2 14.0 49.5 91 109 A A - 0 0 5 33,-0.3 11,-0.2 1,-0.1 3,-0.1 -0.979 21.1-140.6-155.5 149.5 28.3 10.9 50.7 92 110 A D S S- 0 0 31 9,-2.7 2,-0.3 1,-0.4 10,-0.2 0.773 92.7 -5.4 -82.8 -28.6 27.1 7.7 49.2 93 111 A E E -H 101 0B 1 8,-1.5 8,-2.3 -3,-0.1 2,-0.4 -0.955 61.3-157.6-160.4 150.3 23.9 7.9 51.2 94 112 A V E -Hi 100 130B 2 35,-2.7 37,-2.6 -2,-0.3 6,-0.2 -0.999 13.2-151.1-131.0 133.8 22.4 10.2 53.9 95 113 A D > - 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