==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-JUN-02 1IX5 . COMPND 2 MOLECULE: FKBP; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOCOCCUS . AUTHOR R.SUZUKI,K.NAGATA,M.KAWAKAMI,N.NEMOTO,M.FURUTANI,K.ADACHI, . 151 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 62.3 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 . 33 21.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 21 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 1 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 . 3 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 M 0 0 138 0, 0.0 2,-0.3 0, 0.0 63,-0.1 0.000 360.0 360.0 360.0 99.1 -7.2 -25.7 7.6 2 5 A V - 0 0 0 61,-0.8 2,-0.3 60,-0.4 63,-0.1 -0.890 360.0-168.1-140.5 169.5 -8.0 -22.9 10.1 3 6 A D > - 0 0 94 -2,-0.3 2,-2.8 61,-0.1 3,-2.3 -0.926 51.2 -61.1-151.5 172.8 -11.1 -20.9 11.2 4 7 A K T 3 S+ 0 0 171 1,-0.3 46,-0.2 -2,-0.3 3,-0.1 -0.333 132.9 31.5 -61.2 77.1 -12.0 -17.8 13.2 5 8 A G T 3 S+ 0 0 39 -2,-2.8 2,-0.4 1,-0.3 -1,-0.3 0.400 96.3 103.5 145.2 18.0 -10.6 -19.3 16.4 6 9 A V < - 0 0 38 -3,-2.3 43,-1.4 145,-0.1 -1,-0.3 -0.991 56.4-143.1-128.7 132.6 -7.7 -21.4 15.2 7 10 A K E -AB 48 150A 37 143,-1.3 143,-4.1 -2,-0.4 2,-0.3 -0.622 17.5-177.4 -92.5 152.4 -4.0 -20.5 15.4 8 11 A I E -A 47 0A 0 39,-1.8 39,-1.6 141,-0.3 2,-1.5 -0.942 27.6-134.2-153.3 126.9 -1.4 -21.4 12.7 9 12 A K E +A 46 0A 58 -2,-0.3 138,-0.8 37,-0.3 139,-0.3 -0.637 46.5 157.5 -83.5 87.5 2.3 -20.9 12.6 10 13 A V E -AC 45 146A 0 35,-1.6 35,-1.6 -2,-1.5 2,-0.6 -0.807 37.7-141.2-112.5 154.2 2.7 -19.5 9.0 11 14 A D - 0 0 11 134,-2.0 2,-0.2 -2,-0.3 15,-0.1 -0.866 23.9-176.1-118.4 96.5 5.4 -17.4 7.5 12 15 A Y - 0 0 22 -2,-0.6 13,-1.6 132,-0.2 2,-0.4 -0.579 20.1-147.0 -90.4 154.5 4.0 -14.8 5.1 13 16 A I E -D 24 0B 16 11,-0.2 130,-0.4 -2,-0.2 11,-0.3 -0.635 17.0-161.2-121.3 71.8 6.2 -12.5 3.0 14 17 A G E +D 23 0B 0 9,-0.7 9,-2.1 -2,-0.4 8,-2.1 -0.297 17.8 178.9 -55.1 128.4 4.2 -9.2 2.8 15 18 A K - 0 0 37 6,-0.3 126,-0.7 7,-0.2 6,-0.3 -0.507 24.8 -98.7-120.2-170.5 5.5 -7.2 -0.1 16 19 A L > - 0 0 35 4,-0.3 3,-4.5 124,-0.2 4,-0.2 -0.700 42.7 -93.9-111.5 164.9 4.7 -3.9 -1.8 17 20 A E T 3 S+ 0 0 124 122,-0.4 123,-0.1 1,-0.3 -1,-0.0 0.497 131.7 54.1 -55.2 1.7 2.7 -3.0 -4.9 18 21 A S T 3 S- 0 0 80 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.406 125.7-102.7-114.0 -4.6 6.2 -3.2 -6.4 19 22 A G S < S+ 0 0 45 -3,-4.5 2,-0.6 1,-0.3 -2,-0.2 0.735 70.8 150.3 87.4 25.7 7.0 -6.7 -5.1 20 23 A D - 0 0 87 -4,-0.2 2,-0.6 1,-0.0 -4,-0.3 -0.834 47.8-129.0 -96.3 119.2 9.2 -5.3 -2.3 21 24 A V + 0 0 24 -2,-0.6 -6,-0.3 -6,-0.3 3,-0.1 -0.541 38.2 162.7 -69.1 112.8 9.3 -7.6 0.7 22 25 A F + 0 0 71 -8,-2.1 2,-0.3 -2,-0.6 -7,-0.2 0.731 68.7 20.2-100.8 -31.6 8.6 -5.3 3.7 23 26 A D E +D 14 0B 49 -9,-2.1 -9,-0.7 0, 0.0 -1,-0.3 -0.995 65.8 162.2-143.2 133.9 7.7 -8.0 6.2 24 27 A T E -D 13 0B 1 -2,-0.3 -11,-0.2 -11,-0.3 19,-0.1 -0.974 29.7-158.1-153.7 136.5 8.5 -11.7 6.2 25 28 A S S S+ 0 0 9 -13,-1.6 2,-0.9 -2,-0.3 -12,-0.1 0.745 80.3 83.8 -83.8 -26.0 8.5 -14.4 8.9 26 29 A I > - 0 0 35 -14,-0.3 4,-1.7 1,-0.2 3,-0.2 -0.706 67.7-157.7 -82.7 106.9 10.9 -16.6 7.0 27 30 A E H > S+ 0 0 65 15,-1.3 4,-1.4 -2,-0.9 -1,-0.2 0.853 90.4 65.3 -50.4 -37.1 14.4 -15.3 7.8 28 31 A E H >> S+ 0 0 152 1,-0.2 3,-1.6 2,-0.2 4,-1.3 0.966 101.5 44.2 -49.4 -66.3 15.5 -16.9 4.5 29 32 A V H 3> S+ 0 0 14 1,-0.3 4,-1.2 2,-0.2 3,-0.4 0.859 103.4 69.3 -47.6 -39.4 13.4 -14.6 2.3 30 33 A A H >X>S+ 0 0 0 -4,-1.7 5,-3.2 1,-0.3 4,-0.9 0.893 101.4 44.7 -46.4 -46.5 14.7 -11.7 4.5 31 34 A K H <<5S+ 0 0 146 -3,-1.6 -1,-0.3 -4,-1.4 -2,-0.2 0.829 108.9 56.7 -68.3 -32.0 18.1 -12.3 3.0 32 35 A E H 3<5S+ 0 0 170 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.623 117.8 34.8 -73.6 -12.4 16.5 -12.5 -0.4 33 36 A A H <<5S- 0 0 42 -4,-1.2 -2,-0.2 -3,-0.8 -1,-0.2 0.425 114.5-114.9-117.0 -7.1 15.0 -9.1 0.2 34 37 A G T <5S+ 0 0 65 -4,-0.9 -3,-0.2 -5,-0.3 -4,-0.1 0.933 90.4 103.0 71.3 47.5 18.0 -7.7 2.2 35 38 A I < + 0 0 47 -5,-3.2 -4,-0.2 -8,-0.2 -5,-0.2 0.208 25.5 125.6-140.1 8.6 16.0 -7.4 5.5 36 39 A Y - 0 0 101 -6,-0.7 6,-0.2 -7,-0.1 -5,-0.1 0.687 67.6-144.2 -45.6 -16.4 17.3 -10.4 7.4 37 40 A A - 0 0 26 -7,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.011 19.5 -78.0 72.0 174.8 18.1 -7.7 9.9 38 41 A P S S- 0 0 91 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 0.984 110.4 -19.8 -72.4 -80.8 21.1 -7.7 12.3 39 42 A D S S+ 0 0 140 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.481 101.4 131.0-108.6 -9.4 20.3 -10.2 15.0 40 43 A R - 0 0 111 1,-0.1 2,-0.5 -13,-0.0 0, 0.0 0.026 51.7-139.1 -41.9 153.0 16.6 -10.1 14.5 41 44 A E - 0 0 142 2,-0.0 2,-1.0 -15,-0.0 -1,-0.1 -0.897 6.3-154.8-126.6 101.7 15.0 -13.6 14.2 42 45 A Y + 0 0 35 -2,-0.5 -15,-1.3 -6,-0.2 -14,-0.2 -0.641 30.5 165.4 -77.9 103.0 12.4 -14.0 11.6 43 46 A E - 0 0 97 -2,-1.0 2,-0.3 -17,-0.2 -33,-0.1 -0.557 45.3 -71.2-111.6 177.9 10.2 -16.9 12.9 44 47 A P - 0 0 45 0, 0.0 2,-0.7 0, 0.0 -33,-0.2 -0.552 45.2-136.2 -72.3 126.0 6.8 -18.3 12.0 45 48 A L E -A 10 0A 49 -35,-1.6 -35,-1.6 -2,-0.3 2,-1.2 -0.771 10.4-149.9 -89.2 112.7 4.0 -16.0 13.1 46 49 A E E +A 9 0A 76 -2,-0.7 -37,-0.3 -37,-0.3 2,-0.2 -0.701 26.0 176.5 -85.3 97.3 1.2 -18.0 14.8 47 50 A F E -A 8 0A 0 -39,-1.6 -39,-1.8 -2,-1.2 2,-0.5 -0.623 24.1-137.4 -99.6 160.6 -1.9 -16.0 14.0 48 51 A V E >>> -A 7 0A 7 -41,-0.2 3,-1.3 -2,-0.2 5,-0.8 -0.954 5.0-152.2-123.4 112.8 -5.5 -16.9 14.9 49 52 A V T 345S+ 0 0 3 -43,-1.4 -45,-0.3 -2,-0.5 3,-0.1 0.640 101.7 57.7 -54.8 -11.6 -8.2 -16.3 12.2 50 53 A G T 345S+ 0 0 32 -47,-0.4 -1,-0.3 -44,-0.2 -46,-0.1 -0.297 100.4 53.8-114.9 46.5 -10.4 -15.9 15.3 51 54 A E T <45S- 0 0 139 -3,-1.3 -2,-0.2 3,-0.1 -1,-0.1 0.323 98.9-121.2-151.9 -8.6 -8.5 -13.1 17.0 52 55 A G T <5 + 0 0 57 -4,-0.6 -3,-0.1 -3,-0.1 4,-0.1 0.628 65.3 143.7 68.9 12.1 -8.3 -10.4 14.3 53 56 A Q < + 0 0 89 -5,-0.8 2,-0.1 2,-0.1 3,-0.1 0.947 63.6 26.4 -44.4 -78.6 -4.5 -10.7 14.6 54 57 A L S S- 0 0 22 1,-0.2 -3,-0.1 -6,-0.1 -2,-0.0 -0.392 111.8 -70.8 -84.9 165.7 -3.6 -10.2 11.0 55 58 A I > - 0 0 26 1,-0.1 4,-2.9 -2,-0.1 5,-0.3 -0.281 45.4-119.4 -56.4 136.9 -5.7 -8.3 8.5 56 59 A Q H > S+ 0 0 115 23,-0.6 4,-2.3 24,-0.2 5,-0.3 0.919 110.8 63.0 -41.8 -60.1 -8.9 -10.2 7.6 57 60 A G H >> S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 3,-1.3 0.855 112.5 34.3 -30.3 -68.9 -7.9 -10.4 3.9 58 61 A F H 3> S+ 0 0 0 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.911 113.4 60.4 -57.2 -44.3 -4.8 -12.4 4.8 59 62 A E H 3X S+ 0 0 11 -4,-2.9 4,-0.7 1,-0.2 -1,-0.3 0.758 109.9 44.6 -55.3 -23.7 -6.8 -14.1 7.6 60 63 A E H < S+ 0 0 0 -4,-1.1 3,-2.2 -5,-0.2 -60,-0.4 0.658 93.0 82.8-107.0 -26.6 -5.4 -18.8 5.1 63 66 A L H 3< S+ 0 0 37 -4,-0.7 -61,-0.8 1,-0.3 -2,-0.2 0.807 104.5 37.0 -47.6 -31.5 -8.9 -19.7 6.2 64 67 A D T 3< S+ 0 0 141 -4,-0.9 2,-0.4 -63,-0.1 -1,-0.3 -0.350 98.4 102.2-118.1 49.7 -8.8 -22.1 3.3 65 68 A M < - 0 0 7 -3,-2.2 3,-0.1 -63,-0.1 80,-0.1 -0.964 57.2-147.9-138.0 118.5 -5.1 -23.2 3.5 66 69 A E > - 0 0 114 -2,-0.4 3,-1.3 1,-0.2 2,-0.9 0.059 48.8 -64.4 -69.2-173.4 -3.9 -26.4 5.0 67 70 A V T 3 S+ 0 0 74 1,-0.2 80,-0.2 80,-0.1 -1,-0.2 -0.682 128.8 19.9 -80.9 106.3 -0.6 -26.9 6.9 68 71 A G T 3 S+ 0 0 45 -2,-0.9 -1,-0.2 1,-0.3 79,-0.1 0.280 93.8 131.7 118.0 -5.6 2.1 -26.2 4.3 69 72 A D < - 0 0 43 -3,-1.3 77,-1.0 -7,-0.1 2,-0.3 -0.164 41.1-152.7 -71.0 170.5 -0.1 -24.3 1.9 70 73 A E + 0 0 113 75,-0.2 2,-0.4 -3,-0.1 75,-0.2 -0.943 15.8 179.4-152.3 126.2 1.0 -20.9 0.4 71 74 A K - 0 0 83 -2,-0.3 2,-1.6 71,-0.1 73,-1.1 -0.844 4.9-172.9-131.6 95.7 -1.1 -18.0 -0.9 72 75 A T E +E 143 0C 57 -2,-0.4 71,-0.3 71,-0.3 2,-0.2 -0.602 33.7 145.1 -88.8 77.8 0.9 -15.1 -2.2 73 76 A V E -E 142 0C 66 -2,-1.6 69,-1.2 69,-1.2 2,-0.6 -0.704 51.2-114.6-111.8 165.0 -2.0 -12.7 -2.8 74 77 A K E -E 141 0C 86 67,-0.3 67,-0.3 -2,-0.2 65,-0.0 -0.894 26.0-142.9-104.8 116.2 -2.3 -8.9 -2.4 75 78 A I E -E 140 0C 4 65,-2.3 65,-1.6 -2,-0.6 2,-0.2 -0.597 21.4-118.0 -79.1 134.9 -4.6 -7.7 0.4 76 79 A P >> - 0 0 48 0, 0.0 4,-2.6 0, 0.0 3,-2.3 -0.477 22.9-115.4 -72.4 138.8 -6.6 -4.6 -0.4 77 80 A A T 34 S+ 0 0 5 1,-0.3 6,-1.2 2,-0.2 60,-0.3 0.634 118.4 65.7 -49.6 -10.7 -6.0 -1.6 1.9 78 81 A E T 34 S+ 0 0 139 4,-0.4 -1,-0.3 3,-0.2 -3,-0.0 0.865 109.5 31.6 -80.2 -39.0 -9.6 -2.3 2.7 79 82 A K T <4 S+ 0 0 64 -3,-2.3 -23,-0.6 2,-0.1 -22,-0.2 0.795 126.1 46.1 -86.8 -32.5 -9.0 -5.6 4.3 80 83 A A S < S- 0 0 15 -4,-2.6 -24,-0.2 -25,-0.2 -3,-0.2 0.928 142.8 -13.8 -72.5 -93.8 -5.5 -4.7 5.6 81 84 A Y S S- 0 0 101 54,-0.5 56,-0.2 57,-0.3 -3,-0.2 0.129 94.8-118.0 -97.9 18.5 -5.6 -1.3 7.2 82 85 A G - 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