==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 28-FEB-09 2KFW . COMPND 2 MOLECULE: FKBP-TYPE PEPTIDYL-PROLYL CIS-TRANS ISOMERASE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.MARTINO,Y.HE,K.L.HANDS-TAYLOR,E.R.VALENTINE,G.KELLY, . 196 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 46.9 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 . 37 18.9 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 20 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 1 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 . 2 0 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 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 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 0 148 0, 0.0 2,-0.4 0, 0.0 53,-0.2 0.000 360.0 360.0 360.0 159.0 3.7 -18.2 27.2 2 2 A K - 0 0 93 49,-0.1 48,-0.1 51,-0.1 47,-0.0 -0.967 360.0-101.4-125.8 139.7 2.9 -14.5 27.8 3 3 A V + 0 0 1 -2,-0.4 48,-1.6 46,-0.3 2,-0.3 -0.251 57.6 151.8 -55.0 138.9 4.3 -11.4 26.0 4 4 A A - 0 0 33 46,-0.2 32,-0.3 3,-0.1 3,-0.3 -0.926 47.4 -55.6-156.7-179.2 7.1 -9.8 28.0 5 5 A K S S+ 0 0 109 -2,-0.3 32,-0.2 1,-0.2 -1,-0.1 -0.174 116.9 31.4 -61.5 161.1 10.3 -7.7 27.8 6 6 A D S S+ 0 0 68 30,-1.1 2,-0.2 1,-0.1 -1,-0.2 0.943 95.6 111.6 56.2 46.4 13.1 -9.1 25.6 7 7 A L - 0 0 17 29,-0.3 29,-0.8 -3,-0.3 134,-0.3 -0.700 65.9-135.5-153.0 96.7 10.6 -10.8 23.2 8 8 A V E +AB 35 140A 6 132,-0.9 132,-2.7 -2,-0.2 2,-0.4 -0.246 32.5 176.8 -51.6 129.9 10.0 -9.6 19.7 9 9 A V E -A 34 0A 3 25,-2.7 2,-0.9 130,-0.2 25,-0.7 -0.946 26.1-147.0-143.8 122.2 6.2 -9.4 19.1 10 10 A S E +A 33 0A 15 -2,-0.4 127,-1.2 23,-0.2 2,-0.5 -0.741 32.5 160.7 -89.4 106.0 4.4 -8.2 16.0 11 11 A L E -C 136 0B 7 21,-1.2 125,-0.2 -2,-0.9 21,-0.2 -0.935 27.5-148.8-130.6 114.6 1.1 -6.6 17.1 12 12 A A E +C 135 0B 1 123,-0.7 123,-1.6 -2,-0.5 2,-0.3 -0.482 22.6 175.9 -77.3 149.1 -0.9 -4.2 15.0 13 13 A Y E -C 134 0B 28 121,-0.2 13,-1.4 -2,-0.1 2,-0.5 -0.975 24.5-141.2-155.9 139.9 -2.9 -1.5 16.8 14 14 A Q E -CD 133 25B 63 119,-0.9 119,-1.8 -2,-0.3 2,-0.4 -0.876 18.9-163.1-105.0 128.0 -5.0 1.5 15.8 15 15 A V E +CD 132 24B 5 9,-2.8 9,-0.7 -2,-0.5 8,-0.5 -0.876 9.6 177.5-111.5 142.2 -4.7 4.7 17.8 16 16 A R E -C 131 0B 104 115,-2.3 115,-1.5 -2,-0.4 6,-0.2 -0.995 22.8-131.8-143.4 135.8 -7.3 7.6 17.8 17 17 A T E >> - D 0 21B 24 4,-3.0 3,-3.1 -2,-0.4 4,-0.9 -0.554 29.3-113.3 -85.4 151.9 -7.4 10.9 19.8 18 18 A E T 34 S+ 0 0 147 111,-0.4 -1,-0.1 1,-0.3 112,-0.1 0.843 115.3 71.5 -52.5 -30.6 -10.6 11.9 21.6 19 19 A D T 34 S- 0 0 125 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.675 123.4-104.6 -61.7 -11.2 -10.7 14.9 19.1 20 20 A G T <4 S+ 0 0 48 -3,-3.1 2,-0.3 1,-0.3 -2,-0.2 0.824 78.8 131.2 91.4 34.9 -11.6 12.2 16.5 21 21 A V E < -D 17 0B 70 -4,-0.9 -4,-3.0 0, 0.0 2,-0.7 -0.904 52.8-135.3-121.2 150.5 -8.2 12.1 14.8 22 22 A L E + 0 0 64 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.873 17.9 179.9-107.1 110.7 -6.0 9.0 13.9 23 23 A V E S- 0 0 70 -2,-0.7 2,-0.3 -8,-0.5 -1,-0.2 0.867 72.2 -20.7 -76.1 -34.4 -2.3 9.5 14.8 24 24 A D E -D 15 0B 98 -9,-0.7 -9,-2.8 2,-0.0 2,-0.3 -0.955 57.0-167.4-170.0 150.2 -1.3 6.0 13.5 25 25 A E E -D 14 0B 91 -2,-0.3 -11,-0.3 -11,-0.2 -13,-0.0 -0.969 9.7-152.0-149.1 131.2 -2.9 2.6 12.6 26 26 A S - 0 0 18 -13,-1.4 2,-0.1 -2,-0.3 -2,-0.0 -0.904 17.8-138.7-108.7 123.4 -1.4 -0.8 11.9 27 27 A P > - 0 0 58 0, 0.0 3,-1.3 0, 0.0 -14,-0.1 -0.332 19.4-120.6 -73.0 156.2 -3.3 -3.2 9.7 28 28 A V T 3 S+ 0 0 101 1,-0.3 -16,-0.1 2,-0.1 -2,-0.0 0.831 112.9 62.5 -68.7 -28.5 -3.4 -6.9 10.5 29 29 A S T 3 S+ 0 0 113 1,-0.3 -1,-0.3 2,-0.0 -3,-0.0 0.582 114.6 34.8 -73.3 -4.9 -1.8 -7.8 7.2 30 30 A A S < S- 0 0 54 -3,-1.3 -1,-0.3 2,-0.0 2,-0.1 -0.473 77.6-178.0-149.2 73.4 1.2 -5.8 8.3 31 31 A P - 0 0 43 0, 0.0 2,-0.9 0, 0.0 -19,-0.1 -0.447 31.7-118.5 -73.0 143.1 1.9 -6.1 12.1 32 32 A L - 0 0 69 -21,-0.2 -21,-1.2 -2,-0.1 2,-0.4 -0.713 27.5-154.0 -86.4 108.3 4.8 -4.1 13.4 33 33 A D E +A 10 0A 58 -2,-0.9 2,-0.3 -23,-0.3 -23,-0.2 -0.656 32.4 139.5 -83.0 131.4 7.3 -6.6 14.9 34 34 A Y E -A 9 0A 59 -25,-0.7 -25,-2.7 -2,-0.4 2,-0.4 -0.986 57.9 -74.5-161.1 168.0 9.5 -5.1 17.7 35 35 A L E -A 8 0A 2 115,-0.3 5,-0.4 -2,-0.3 -27,-0.2 -0.549 51.8-123.6 -72.7 125.6 11.1 -5.9 21.1 36 36 A H S S+ 0 0 7 -29,-0.8 2,-2.2 -2,-0.4 -30,-1.1 -0.384 90.5 8.3 -67.9 145.3 8.4 -5.8 23.8 37 37 A G S S+ 0 0 19 -32,-0.2 2,-0.4 5,-0.1 -1,-0.2 -0.313 141.4 34.7 81.4 -59.6 9.1 -3.4 26.7 38 38 A H S S+ 0 0 59 -2,-2.2 -3,-0.1 1,-0.1 -2,-0.1 -0.730 90.7 85.8-130.0 87.2 12.2 -1.9 24.9 39 39 A G S S- 0 0 22 -2,-0.4 -3,-0.1 2,-0.3 -1,-0.1 0.441 99.9 -72.2-145.8 -48.3 11.7 -1.7 21.1 40 40 A S S S+ 0 0 82 1,-0.5 3,-0.1 -5,-0.4 6,-0.1 -0.076 92.2 101.0 177.8 -63.4 9.9 1.5 20.0 41 41 A L S S- 0 0 24 1,-0.1 -1,-0.5 2,-0.1 -2,-0.3 -0.085 93.4 -79.0 -43.8 141.7 6.2 1.7 20.8 42 42 A I >> - 0 0 31 1,-0.1 4,-1.7 3,-0.1 3,-1.1 -0.073 40.2-122.4 -43.5 142.8 5.6 3.8 24.0 43 43 A S H 3>>S+ 0 0 65 1,-0.3 4,-2.3 2,-0.2 5,-0.6 0.939 109.7 68.3 -58.2 -45.3 6.4 1.8 27.1 44 44 A G H 3>5S+ 0 0 8 22,-0.6 4,-0.9 1,-0.3 -1,-0.3 0.853 107.1 42.3 -43.7 -33.8 2.9 2.3 28.5 45 45 A L H <>5S+ 0 0 3 -3,-1.1 4,-1.2 21,-0.2 -1,-0.3 0.895 113.0 51.3 -82.5 -41.1 1.8 0.1 25.6 46 46 A E H >X5S+ 0 0 11 -4,-1.7 4,-1.3 2,-0.2 3,-1.2 0.985 112.8 43.9 -60.2 -57.7 4.6 -2.5 25.9 47 47 A T H ><5S+ 0 0 79 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.912 111.2 55.7 -55.4 -41.0 4.0 -3.1 29.7 48 48 A A H 3< - 0 0 109 -4,-0.2 3,-1.1 3,-0.2 2,-0.6 -0.745 30.7-101.6 167.3 143.5 -2.3 -13.9 24.4 54 54 A V T 3 S+ 0 0 77 1,-0.2 83,-0.2 -2,-0.2 3,-0.1 -0.692 109.5 12.0 -84.2 119.1 -0.8 -14.4 20.9 55 55 A G T 3 S+ 0 0 62 81,-3.0 2,-0.3 -2,-0.6 -1,-0.2 0.484 100.8 121.7 96.3 2.9 -3.4 -13.6 18.2 56 56 A D < - 0 0 55 -3,-1.1 80,-1.5 80,-0.2 2,-0.4 -0.760 54.8-138.5-100.5 146.3 -5.8 -11.9 20.7 57 57 A K E +E 135 0B 122 -2,-0.3 2,-0.3 78,-0.2 78,-0.3 -0.827 26.5 169.0-104.2 140.6 -6.9 -8.2 20.4 58 58 A F E -E 134 0B 89 76,-3.9 76,-4.2 -2,-0.4 2,-0.5 -0.994 28.7-127.9-147.2 153.3 -7.1 -5.9 23.4 59 59 A D E +E 133 0B 86 -2,-0.3 2,-0.4 74,-0.3 74,-0.2 -0.871 25.9 179.1-106.0 132.3 -7.6 -2.1 24.0 60 60 A V E -E 132 0B 17 72,-1.9 72,-1.0 -2,-0.5 2,-0.6 -0.988 20.7-141.3-134.0 130.6 -5.2 -0.2 26.2 61 61 A A E +E 131 0B 76 -2,-0.4 2,-0.3 70,-0.2 70,-0.2 -0.772 36.7 147.9 -92.2 123.5 -5.3 3.5 27.1 62 62 A V + 0 0 10 68,-1.4 -20,-0.1 -2,-0.6 -17,-0.1 -0.785 20.9 101.0-157.2 109.1 -1.8 5.2 27.2 63 63 A G S >>S+ 0 0 1 -2,-0.3 7,-1.4 4,-0.2 4,-0.9 0.205 89.8 18.3-149.5 -78.8 -1.0 8.8 26.3 64 64 A A T 45S+ 0 0 5 5,-0.3 7,-2.8 1,-0.2 63,-0.2 0.780 122.5 59.1 -78.2 -24.4 -0.5 11.4 29.0 65 65 A N T 45S- 0 0 116 5,-0.2 -1,-0.2 1,-0.2 8,-0.1 0.751 139.5 -25.5 -75.7 -20.7 0.0 8.8 31.7 66 66 A D T 45S+ 0 0 90 -3,-0.2 -22,-0.6 -23,-0.0 -2,-0.2 -0.038 124.1 52.5 170.6 73.6 3.0 7.4 29.8 67 67 A A T <5S- 0 0 16 -4,-0.9 -3,-0.2 -3,-0.1 -4,-0.2 -0.156 114.7 -12.6-171.9 -83.7 3.3 7.9 26.0 68 68 A Y S > + 0 0 102 1,-0.2 3,-2.0 -3,-0.1 4,-0.6 -0.681 32.9 175.9 -95.0 87.8 4.0 15.1 35.5 73 73 A E T 34 S+ 0 0 146 -2,-1.2 3,-0.2 1,-0.3 -1,-0.2 0.675 77.0 69.9 -65.2 -11.7 2.2 13.6 38.5 74 74 A N T 34 S+ 0 0 101 1,-0.2 -1,-0.3 -3,-0.1 28,-0.1 0.481 97.4 50.5 -84.5 0.5 5.2 14.8 40.6 75 75 A L T <4 S+ 0 0 45 -3,-2.0 2,-0.6 32,-0.0 -1,-0.2 0.571 90.9 85.9-110.7 -14.4 4.1 18.4 40.1 76 76 A V < + 0 0 17 -4,-0.6 2,-0.4 -3,-0.2 44,-0.2 -0.765 52.4 166.2 -91.4 123.8 0.5 18.1 41.1 77 77 A Q E -F 119 0C 77 42,-1.9 42,-1.6 -2,-0.6 2,-0.6 -0.975 21.9-156.8-140.3 126.5 -0.1 18.5 44.9 78 78 A R E +F 118 0C 114 -2,-0.4 40,-0.2 40,-0.2 -2,-0.0 -0.879 28.5 151.8-105.3 119.4 -3.4 19.1 46.7 79 79 A V E -F 117 0C 60 38,-0.7 38,-1.6 -2,-0.6 37,-0.1 -1.000 41.2-114.1-147.1 147.3 -3.2 20.7 50.2 80 80 A P > - 0 0 43 0, 0.0 3,-1.3 0, 0.0 36,-0.1 -0.257 35.4-108.4 -73.2 163.4 -5.4 22.8 52.4 81 81 A K G > S+ 0 0 104 1,-0.3 3,-2.4 2,-0.2 35,-0.1 0.560 100.1 98.1 -71.5 -3.0 -4.3 26.4 53.3 82 82 A D G 3 S+ 0 0 135 1,-0.3 -1,-0.3 3,-0.1 3,-0.2 0.755 83.2 50.9 -57.5 -19.2 -3.6 25.1 56.8 83 83 A V G < S+ 0 0 110 -3,-1.3 -1,-0.3 1,-0.3 2,-0.2 0.504 130.0 6.5 -96.3 -3.6 0.0 24.9 55.7 84 84 A F < + 0 0 33 -3,-2.4 -1,-0.3 -4,-0.1 3,-0.1 -0.647 58.3 146.9-177.5 115.2 0.1 28.5 54.4 85 85 A M + 0 0 121 -2,-0.2 5,-0.2 -3,-0.2 -3,-0.1 0.120 69.5 63.8-141.3 22.3 -2.5 31.3 54.6 86 86 A G + 0 0 73 3,-0.1 -1,-0.1 1,-0.1 4,-0.0 -0.208 49.3 132.3-142.0 48.4 -0.4 34.5 54.8 87 87 A V S S- 0 0 61 -3,-0.1 -1,-0.1 1,-0.1 -3,-0.0 0.009 89.6 -94.1 -90.3 32.4 1.6 34.8 51.6 88 88 A D S S+ 0 0 146 2,-0.0 2,-0.1 -3,-0.0 -1,-0.1 0.537 113.4 23.7 70.8 1.1 0.6 38.4 51.2 89 89 A E - 0 0 139 2,-0.0 2,-0.8 5,-0.0 -3,-0.1 -0.325 66.2-165.0 166.6 104.5 -2.3 37.2 49.0 90 90 A L + 0 0 67 -5,-0.2 2,-0.3 -2,-0.1 -2,-0.0 -0.848 35.3 133.7-106.7 105.0 -4.0 33.7 49.0 91 91 A Q > - 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