==== 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 10-JUN-03 1PM7 . COMPND 2 MOLECULE: RFBC; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.DONG,J.H.NAISMITH,TB STRUCTURAL GENOMICS CONSORTIUM (TBSGC . 398 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 34.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), 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 . 3 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 . 41 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 2 0 2 0 2 2 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 . 4 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 0 6 6 0 4 6 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 2 0 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 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 M 0 0 111 0, 0.0 2,-0.3 0, 0.0 13,-0.0 0.000 360.0 360.0 360.0-172.3 12.7 23.6 -17.3 2 2 A K E -A 15 0A 154 13,-1.5 13,-2.7 2,-0.0 2,-0.4 -0.918 360.0-172.1-153.8 121.5 16.1 25.2 -17.4 3 3 A A E -A 14 0A 41 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.998 11.8-175.7-116.5 127.2 19.1 24.5 -15.2 4 4 A R E -A 13 0A 108 9,-2.2 9,-2.9 -2,-0.4 2,-0.1 -0.973 23.3-129.8-131.1 112.1 21.9 27.0 -15.7 5 5 A E E -A 12 0A 94 -2,-0.5 7,-0.3 7,-0.2 -2,-0.0 -0.406 28.7-130.9 -65.5 135.8 25.3 26.5 -13.9 6 6 A L - 0 0 7 5,-3.3 5,-0.2 2,-0.4 4,-0.1 -0.168 29.0 -94.2 -76.3 177.3 26.2 29.7 -12.1 7 7 A D S S+ 0 0 114 2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 0.649 118.8 69.7 -71.8 -17.9 29.7 31.4 -12.4 8 8 A V S > S- 0 0 1 3,-0.1 3,-1.1 77,-0.0 -2,-0.4 -0.938 98.2-126.2 -90.6 112.3 30.5 29.5 -9.2 9 9 A P T 3 S+ 0 0 41 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.336 92.0 37.5 -60.8 138.8 30.7 25.8 -10.3 10 10 A G T 3 S+ 0 0 9 1,-0.3 104,-1.8 -4,-0.1 2,-0.4 0.486 98.9 92.5 96.2 3.0 28.5 23.5 -8.4 11 11 A A E < - B 0 113A 0 -3,-1.1 -5,-3.3 102,-0.2 2,-0.3 -0.997 55.8-169.0-128.5 141.0 25.7 26.0 -8.0 12 12 A W E -AB 5 112A 40 100,-1.8 100,-2.3 -2,-0.4 2,-0.6 -0.959 22.6-137.6-136.7 141.1 22.7 26.2 -10.4 13 13 A E E -AB 4 111A 29 -9,-2.9 -9,-2.2 -2,-0.3 2,-0.5 -0.882 26.9-162.3 -94.8 123.6 19.8 28.5 -11.3 14 14 A I E -AB 3 110A 4 96,-3.2 96,-2.2 -2,-0.6 -11,-0.2 -0.895 10.2-170.5-110.7 126.5 16.6 26.4 -12.0 15 15 A T E -A 2 0A 41 -13,-2.7 -13,-1.5 -2,-0.5 2,-0.1 -0.970 19.9-141.6-111.1 129.1 13.6 27.8 -13.8 16 16 A P - 0 0 21 0, 0.0 2,-0.7 0, 0.0 13,-0.1 -0.489 18.1-111.1 -86.0 160.5 10.4 25.5 -13.7 17 17 A T - 0 0 79 11,-0.2 2,-0.6 -2,-0.1 11,-0.4 -0.871 39.1-153.3 -81.4 117.9 7.9 24.8 -16.4 18 18 A I - 0 0 56 -2,-0.7 2,-0.6 9,-0.1 9,-0.2 -0.878 4.3-153.5-104.4 113.0 4.8 26.5 -14.9 19 19 A H E -H 26 0B 90 7,-2.6 7,-2.3 -2,-0.6 2,-0.4 -0.787 15.8-168.2 -86.4 121.7 1.4 25.1 -16.0 20 20 A V E +H 25 0B 109 -2,-0.6 2,-0.2 5,-0.2 5,-0.2 -0.917 18.7 144.2-115.5 135.6 -1.3 27.8 -15.8 21 21 A D E > -H 24 0B 61 3,-2.7 3,-1.1 -2,-0.4 347,-0.0 -0.775 64.9 -68.7-149.7-166.3 -5.0 27.2 -16.0 22 22 A S T 3 S+ 0 0 101 1,-0.3 232,-0.1 -2,-0.2 3,-0.1 0.751 126.7 55.9 -69.7 -25.6 -8.3 28.5 -14.6 23 23 A R T 3 S- 0 0 18 1,-0.2 231,-1.6 230,-0.1 2,-0.4 0.606 120.4-102.4 -75.0 -16.3 -7.6 27.2 -11.1 24 24 A G E < -HI 21 253B 24 -3,-1.1 -3,-2.7 229,-0.2 2,-0.3 -0.995 59.6 -48.4 123.8-126.2 -4.3 29.1 -10.9 25 25 A L E -HI 20 252B 30 227,-2.2 227,-2.5 -2,-0.4 2,-0.3 -0.949 37.0-169.1-151.4 163.0 -1.1 27.2 -11.4 26 26 A F E +HI 19 251B 82 -7,-2.3 -7,-2.6 -2,-0.3 2,-0.3 -0.993 8.8 169.1-151.9 152.3 1.2 24.3 -10.7 27 27 A F E - I 0 250B 7 223,-2.2 223,-2.4 -2,-0.3 2,-0.7 -0.971 39.9-105.1-156.0 160.2 4.7 23.1 -11.2 28 28 A E E - I 0 249B 81 -11,-0.4 221,-0.2 -2,-0.3 -11,-0.2 -0.758 27.4-173.6 -78.8 107.9 7.2 20.4 -10.2 29 29 A W E S+ 0 0 7 219,-2.0 2,-0.4 -2,-0.7 220,-0.2 0.918 75.7 6.5 -71.3 -43.8 9.6 22.2 -7.9 30 30 A L E + I 0 248B 6 218,-1.8 218,-2.8 -3,-0.1 2,-0.3 -0.999 61.9 177.7-137.8 141.5 11.8 19.1 -7.8 31 31 A T E > - I 0 247B 13 -2,-0.4 4,-2.5 216,-0.2 216,-0.2 -0.979 31.7-133.8-128.9 144.9 11.8 15.8 -9.7 32 32 A D H > S+ 0 0 20 214,-2.0 4,-2.6 -2,-0.3 5,-0.3 0.970 109.2 52.3 -57.7 -52.4 14.4 13.1 -9.2 33 33 A H H > S+ 0 0 118 213,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.901 114.2 43.2 -53.5 -42.1 14.7 12.7 -13.0 34 34 A G H > S+ 0 0 12 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.866 114.5 47.5 -72.1 -42.9 15.3 16.5 -13.4 35 35 A F H >X>S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 3,-1.1 0.934 107.2 55.9 -64.1 -51.9 17.7 17.0 -10.5 36 36 A R H 3X5S+ 0 0 123 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.783 96.7 68.7 -47.5 -32.1 19.9 14.0 -11.5 37 37 A A H 3<5S+ 0 0 87 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.879 118.0 16.6 -59.2 -41.6 20.3 15.6 -14.9 38 38 A F H <<5S+ 0 0 31 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.768 130.8 44.8-104.1 -40.7 22.4 18.5 -13.6 39 39 A A H <5S- 0 0 15 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.774 96.2-137.6 -75.4 -27.8 23.6 17.4 -10.2 40 40 A G S < - 0 0 44 169,-1.6 3,-1.5 -2,-0.3 69,-0.2 -0.382 56.4 -63.6 -79.6 164.2 10.4 41.4 6.4 55 55 A A T 3 S+ 0 0 51 1,-0.2 69,-0.2 69,-0.2 -1,-0.2 -0.235 120.8 18.0 -48.7 133.4 12.1 43.9 4.1 56 56 A G T 3 S+ 0 0 12 67,-2.0 110,-2.8 1,-0.2 2,-0.4 0.413 83.6 141.8 91.0 2.1 15.9 44.2 4.5 57 57 A V B < -o 166 0C 0 -3,-1.5 66,-2.4 108,-0.2 2,-0.5 -0.635 32.0-162.3 -86.5 128.4 16.5 41.0 6.5 58 58 A L E -P 122 0D 0 108,-3.0 2,-0.5 -2,-0.4 110,-0.4 -0.931 8.7-174.6-119.4 122.6 19.8 39.1 5.7 59 59 A R E -P 121 0D 26 62,-2.3 62,-1.9 -2,-0.5 2,-0.2 -0.975 40.4 -26.5-118.6 120.2 20.4 35.5 6.7 60 60 A G E - 0 0 0 -2,-0.5 88,-0.5 1,-0.3 60,-0.2 -0.819 10.1-152.4 132.7-176.9 23.9 34.1 6.0 61 61 A L E + 0 0 0 58,-0.3 85,-2.4 86,-0.3 2,-0.3 0.482 60.7 163.8 -84.2 135.0 26.6 33.5 5.0 62 62 A H E +PQ 119 145D 38 57,-2.3 57,-2.0 83,-0.2 2,-0.3 -0.895 11.8 167.7-116.9 143.5 26.3 29.9 6.1 63 63 A F E - Q 0 144D 0 81,-2.1 81,-2.6 -2,-0.3 2,-0.4 -0.985 24.2-133.2-144.9 157.6 28.3 26.6 5.2 64 64 A A E - Q 0 143D 11 53,-0.4 52,-0.4 -2,-0.3 6,-0.4 -0.953 30.8-108.1-110.8 132.3 28.6 23.1 6.6 65 65 A Q > - 0 0 58 77,-2.6 4,-1.9 -2,-0.4 121,-0.1 -0.231 45.8 -97.9 -44.9 133.9 31.8 21.2 7.2 66 66 A L T 4 S+ 0 0 15 2,-0.2 -1,-0.1 3,-0.1 126,-0.1 -0.431 89.7 84.9 -76.1 171.7 32.6 18.4 4.7 67 67 A P T 4 S- 0 0 82 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.936 133.0 -17.0 13.8 108.1 31.9 15.0 5.5 68 68 A P T 4 S- 0 0 68 0, 0.0 -2,-0.2 0, 0.0 47,-0.1 -0.935 90.1-176.7-107.4 16.1 29.0 15.4 4.5 69 69 A S < - 0 0 3 -4,-1.9 2,-0.4 1,-0.1 -4,-0.2 -0.051 40.3 -84.1 54.4-163.1 28.4 19.2 4.4 70 70 A Q - 0 0 13 -6,-0.4 2,-0.2 47,-0.2 -6,-0.2 -0.855 31.7-159.5-148.1 103.1 24.8 20.4 3.4 71 71 A A - 0 0 0 -2,-0.4 64,-1.8 44,-0.1 2,-0.4 -0.605 16.8-153.1 -79.9 151.9 23.6 20.9 -0.0 72 72 A K E -EF 113 134A 8 41,-2.3 41,-3.4 -2,-0.2 2,-0.6 -0.985 19.2-164.7-135.7 129.7 20.6 23.2 -0.4 73 73 A Y E -EF 112 133A 5 60,-2.0 60,-2.1 -2,-0.4 2,-0.4 -0.949 31.9-169.6-114.1 107.6 17.8 23.5 -3.0 74 74 A V E +EF 111 132A 0 37,-3.1 37,-2.1 -2,-0.6 2,-0.3 -0.864 15.8 163.5-123.0 133.8 16.3 26.9 -2.3 75 75 A T E -EF 110 131A 2 56,-2.4 56,-2.8 -2,-0.4 2,-0.5 -0.974 30.8-129.5-146.6 150.7 13.1 28.8 -3.5 76 76 A C E + F 0 130A 1 33,-0.6 54,-0.2 -2,-0.3 28,-0.2 -0.922 19.0 176.7-100.2 118.2 10.9 31.8 -2.7 77 77 A V E S+ 0 0 5 52,-1.9 2,-0.3 -2,-0.5 53,-0.1 0.440 73.0 22.2-103.6 -4.4 7.1 31.1 -2.5 78 78 A S E S- F 0 129A 9 51,-0.8 51,-1.3 200,-0.0 -1,-0.2 -0.930 118.5 -8.9-157.4 146.2 6.0 34.6 -1.6 79 79 A G S S- 0 0 5 -2,-0.3 26,-1.5 49,-0.2 2,-0.3 -0.445 89.5 -76.7 66.7-144.4 7.6 38.0 -2.0 80 80 A S E -R 104 0D 14 24,-0.2 44,-3.0 -2,-0.1 45,-0.5 -0.974 34.4-170.6-157.3 141.0 11.3 38.1 -3.3 81 81 A V E -RS 103 123D 0 22,-2.6 22,-2.7 -2,-0.3 2,-0.7 -0.985 24.4-131.6-130.5 151.8 14.9 37.6 -2.1 82 82 A F E -RS 102 122D 33 40,-2.3 40,-2.1 -2,-0.3 2,-0.4 -0.886 34.0-158.0 -96.4 112.2 18.3 38.2 -3.6 83 83 A D E -RS 101 121D 0 18,-2.9 18,-2.1 -2,-0.7 2,-0.4 -0.802 7.2-163.5-105.8 134.2 20.2 34.9 -3.0 84 84 A V E -RS 100 120D 0 36,-3.4 36,-2.5 -2,-0.4 2,-0.4 -0.949 9.4-169.0-124.2 134.7 24.0 34.6 -3.0 85 85 A V E -RS 99 119D 0 14,-2.4 14,-1.8 -2,-0.4 2,-0.4 -0.952 11.5-163.1-113.8 138.8 26.4 31.6 -3.3 86 86 A V E -RS 98 118D 0 32,-2.4 32,-2.4 -2,-0.4 2,-1.0 -0.985 20.7-128.3-126.2 137.5 30.1 32.0 -2.5 87 87 A D + 0 0 0 10,-2.8 9,-3.0 -2,-0.4 10,-0.3 -0.744 36.8 162.0 -86.3 103.9 32.9 29.6 -3.5 88 88 A I + 0 0 0 -2,-1.0 2,-1.0 28,-0.4 -1,-0.1 0.169 31.2 124.0-109.2 14.2 34.8 29.0 -0.2 89 89 A R > - 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