==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 28-JUL-10 3O5J . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.BRACHER,C.KOZANY,A.-K.THOST,F.HAUSCH . 124 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 66.1 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 . 41 33.1 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 . 2 1.6 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 . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 1 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 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 . 1 1 1 1 0 2 0 0 1 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 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 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 16 A A > 0 0 120 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -38.9 -2.2 -3.5 1.6 2 17 A T H > + 0 0 70 2,-0.2 4,-3.2 3,-0.2 5,-0.5 0.981 360.0 38.7 -62.7 -56.0 1.1 -2.9 -0.0 3 18 A V H > S+ 0 0 5 1,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.890 115.0 54.8 -63.6 -40.3 -0.1 0.1 -2.1 4 19 A A H 4 S+ 0 0 32 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.867 120.7 30.6 -59.7 -37.1 -2.3 1.3 0.8 5 20 A E H < S+ 0 0 89 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.786 136.3 22.0 -94.2 -32.0 0.8 1.4 3.1 6 21 A Q H < S+ 0 0 78 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.483 90.7 117.9-116.8 -9.2 3.7 2.2 0.8 7 22 A G < - 0 0 12 -4,-2.0 2,-0.4 -5,-0.5 14,-0.2 -0.298 65.8-115.4 -67.5 146.3 2.0 3.8 -2.3 8 23 A E E -A 20 0A 129 12,-2.8 12,-2.1 1,-0.1 2,-0.8 -0.647 23.7-126.0 -80.7 131.3 2.9 7.4 -3.3 9 24 A D E +A 19 0A 26 -2,-0.4 10,-0.2 10,-0.2 -1,-0.1 -0.677 31.6 176.8 -76.9 111.6 -0.0 9.8 -3.0 10 25 A I + 0 0 26 8,-2.3 2,-0.2 -2,-0.8 -1,-0.1 0.230 41.2 108.7-104.2 13.8 -0.2 11.3 -6.5 11 26 A T - 0 0 3 7,-0.4 5,-0.1 1,-0.1 -2,-0.0 -0.548 69.0-133.9 -82.0 155.4 -3.2 13.5 -6.0 12 27 A S S S+ 0 0 125 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 0.895 107.3 52.2 -72.7 -40.1 -3.0 17.3 -5.7 13 28 A K S S- 0 0 67 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.675 101.3-135.8 -66.9 -18.2 -5.2 17.4 -2.7 14 29 A K + 0 0 133 1,-0.1 -2,-0.1 4,-0.1 -1,-0.1 0.911 61.2 136.9 56.6 45.9 -3.1 14.8 -0.9 15 30 A D S S- 0 0 60 3,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.173 75.7-113.7-103.6 13.6 -6.2 13.1 0.2 16 31 A R S S+ 0 0 112 2,-0.2 3,-0.2 -5,-0.1 77,-0.1 0.688 73.0 140.9 59.6 24.2 -4.7 9.6 -0.6 17 32 A G S S+ 0 0 0 1,-0.2 76,-2.8 75,-0.1 2,-0.4 0.755 71.9 26.7 -65.8 -29.9 -7.3 9.3 -3.4 18 33 A V E S- B 0 92A 0 74,-0.2 -8,-2.3 55,-0.0 -7,-0.4 -0.958 72.7-174.4-139.2 116.4 -4.8 7.7 -5.8 19 34 A L E -AB 9 91A 5 72,-2.3 72,-2.4 -2,-0.4 2,-0.4 -0.925 10.9-159.6-115.0 137.6 -1.9 5.8 -4.4 20 35 A K E +AB 8 90A 19 -12,-2.1 -12,-2.8 -2,-0.4 2,-0.4 -0.944 19.1 179.0-127.8 138.2 0.8 4.5 -6.8 21 36 A I E - B 0 89A 35 68,-2.2 68,-2.9 -2,-0.4 2,-0.4 -0.993 27.3-134.9-130.3 126.4 3.5 1.8 -6.8 22 37 A V E + B 0 88A 72 -2,-0.4 66,-0.3 66,-0.2 3,-0.1 -0.652 24.8 175.6 -76.4 131.8 5.7 1.3 -9.9 23 38 A K E S+ 0 0 118 64,-3.0 2,-0.4 1,-0.4 65,-0.2 0.719 72.2 20.9-105.5 -37.0 6.0 -2.4 -10.6 24 39 A R E S- B 0 87A 110 63,-2.3 63,-2.2 0, 0.0 -1,-0.4 -0.978 83.1-125.4-135.2 126.2 8.0 -2.2 -13.9 25 40 A V - 0 0 115 -2,-0.4 2,-0.1 61,-0.2 57,-0.0 -0.318 28.0-128.1 -64.9 147.5 10.0 0.8 -14.9 26 41 A G - 0 0 15 2,-0.1 59,-0.3 60,-0.1 58,-0.1 -0.230 8.8-123.0 -87.4-176.7 9.2 2.3 -18.3 27 42 A N S S+ 0 0 94 57,-3.8 58,-0.1 3,-0.1 -1,-0.1 0.862 85.2 61.9-101.1 -46.3 11.6 3.1 -21.2 28 43 A G - 0 0 22 56,-0.7 -2,-0.1 2,-0.2 58,-0.0 -0.426 68.2-142.1 -73.3 158.7 11.1 6.7 -21.9 29 44 A E S S+ 0 0 149 54,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.434 81.9 99.2 -78.4 -9.6 11.9 9.4 -19.4 30 45 A E - 0 0 122 54,-0.0 54,-0.8 1,-0.0 -2,-0.2 -0.520 57.9-163.6 -88.1 143.4 8.8 10.9 -21.0 31 46 A T - 0 0 56 -2,-0.2 52,-0.2 52,-0.2 49,-0.1 -0.838 35.7 -88.6-116.3 155.2 5.2 10.8 -19.7 32 47 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.407 36.4-135.7 -64.8 142.3 2.1 11.6 -21.7 33 48 A M > - 0 0 134 1,-0.1 3,-2.4 -2,-0.1 33,-0.3 -0.585 40.0 -79.7 -86.6 155.5 0.8 15.2 -22.0 34 49 A I T 3 S+ 0 0 123 1,-0.3 33,-0.2 -2,-0.2 -1,-0.1 -0.340 121.9 26.8 -53.0 133.8 -2.9 16.0 -21.6 35 50 A G T 3 S+ 0 0 29 31,-3.5 -1,-0.3 1,-0.4 32,-0.1 0.220 89.3 132.1 90.4 -13.4 -4.7 15.2 -24.9 36 51 A D < - 0 0 19 -3,-2.4 30,-2.7 30,-0.1 2,-0.5 -0.428 65.5-114.7 -64.0 143.8 -2.1 12.6 -25.9 37 52 A K E -CD 65 123A 86 86,-3.0 86,-2.2 28,-0.2 2,-0.4 -0.741 37.2-161.6 -76.0 127.1 -3.7 9.3 -27.1 38 53 A V E -CD 64 122A 0 26,-3.1 26,-2.0 -2,-0.5 2,-0.5 -0.935 10.8-157.2-118.6 143.2 -2.7 6.6 -24.5 39 54 A Y E +CD 63 121A 61 82,-2.6 81,-2.2 -2,-0.4 82,-1.3 -0.971 23.8 173.2-120.8 118.0 -2.8 2.9 -25.1 40 55 A V E -CD 62 119A 0 22,-3.0 22,-3.6 -2,-0.5 2,-0.4 -0.956 30.2-154.2-129.9 150.2 -3.1 0.8 -22.0 41 56 A H E + D 0 118A 21 77,-1.8 77,-3.3 -2,-0.4 2,-0.3 -0.925 34.0 169.3-105.8 146.3 -3.5 -2.8 -20.8 42 57 A Y E - D 0 117A 15 -2,-0.4 13,-2.3 75,-0.2 14,-0.7 -0.995 30.7-156.4-156.1 160.0 -5.0 -3.1 -17.3 43 58 A K E -ED 54 116A 97 73,-1.9 73,-2.7 -2,-0.3 2,-0.4 -0.996 18.3-158.4-136.7 130.6 -6.6 -5.4 -14.8 44 59 A G E -ED 53 115A 1 9,-3.1 8,-2.4 -2,-0.4 9,-1.2 -0.948 9.3-177.6-119.2 137.9 -8.9 -4.1 -12.0 45 60 A K E -ED 51 114A 106 69,-2.9 69,-2.6 -2,-0.4 6,-0.2 -0.962 19.1-134.7-126.9 144.7 -9.8 -5.7 -8.7 46 61 A L > - 0 0 24 4,-3.1 3,-1.3 -2,-0.3 67,-0.1 -0.210 42.9 -90.9 -80.5-177.1 -12.1 -4.8 -5.9 47 62 A S T 3 S+ 0 0 116 1,-0.3 66,-0.1 65,-0.3 -1,-0.1 0.707 126.4 61.1 -78.4 -20.2 -11.1 -5.0 -2.2 48 63 A N T 3 S- 0 0 122 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.406 123.1-109.4 -77.3 2.9 -12.3 -8.5 -1.7 49 64 A G S < S+ 0 0 42 -3,-1.3 2,-0.2 1,-0.3 -2,-0.2 0.440 72.6 145.4 81.0 3.4 -9.7 -9.2 -4.4 50 65 A K - 0 0 40 1,-0.1 -4,-3.1 -5,-0.1 -1,-0.3 -0.503 51.5-115.9 -78.8 137.4 -12.4 -9.9 -7.0 51 66 A K E +E 45 0A 119 -6,-0.2 -6,-0.3 -2,-0.2 3,-0.1 -0.362 33.7 170.8 -63.4 144.0 -11.8 -8.9 -10.7 52 67 A F E - 0 0 17 -8,-2.4 2,-0.3 1,-0.5 -7,-0.2 0.533 64.6 -5.9-123.6 -20.0 -14.2 -6.4 -12.1 53 68 A D E +E 44 0A 59 -9,-1.2 -9,-3.1 53,-0.0 -1,-0.5 -0.974 52.0 178.4-169.7 154.8 -12.6 -5.6 -15.5 54 69 A S E > -E 43 0A 11 -2,-0.3 3,-0.6 -11,-0.2 4,-0.3 -0.920 29.5-144.8-160.6 140.9 -9.6 -6.3 -17.7 55 70 A S G >>>S+ 0 0 9 -13,-2.3 5,-1.9 -2,-0.3 4,-0.8 0.682 97.5 72.8 -73.7 -15.4 -8.4 -5.3 -21.2 56 71 A H G 345S+ 0 0 68 -14,-0.7 -1,-0.2 1,-0.2 -13,-0.1 0.651 77.3 72.2 -78.4 -16.5 -6.8 -8.8 -21.4 57 72 A D G <45S+ 0 0 105 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.886 115.8 25.2 -66.5 -37.6 -10.1 -10.7 -21.8 58 73 A R T <45S- 0 0 207 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.624 105.4-132.9 -90.5 -13.1 -10.5 -9.3 -25.3 59 74 A N T <5 + 0 0 117 -4,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.975 63.0 131.1 43.2 61.2 -6.7 -8.8 -25.5 60 75 A E < - 0 0 110 -5,-1.9 -1,-0.2 -20,-0.0 -2,-0.2 -0.967 61.7-115.6-137.4 126.7 -7.3 -5.4 -26.9 61 76 A P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 -20,-0.2 -0.194 27.5-120.6 -56.4 145.8 -5.5 -2.3 -25.5 62 77 A F E -C 40 0A 73 -22,-3.6 -22,-3.0 2,-0.0 2,-0.4 -0.828 33.2-161.0 -86.9 128.7 -7.8 0.3 -23.9 63 78 A V E +C 39 0A 61 -2,-0.5 2,-0.3 -24,-0.2 -24,-0.2 -0.942 20.7 147.8-122.3 130.8 -7.4 3.6 -25.7 64 79 A F E -C 38 0A 4 -26,-2.0 -26,-3.1 -2,-0.4 2,-0.6 -0.972 48.8-103.7-154.2 164.5 -8.3 7.1 -24.5 65 80 A S E > -C 37 0A 22 -2,-0.3 3,-0.8 -28,-0.2 5,-0.5 -0.880 48.5-118.5 -94.9 119.8 -7.2 10.7 -24.7 66 81 A L T 3 S+ 0 0 1 -30,-2.7 -31,-3.5 -2,-0.6 -30,-0.1 -0.317 88.1 11.3 -64.7 135.6 -5.4 11.6 -21.5 67 82 A G T 3 S+ 0 0 28 -33,-0.2 -1,-0.2 -32,-0.1 -33,-0.1 0.830 94.0 104.5 72.4 35.4 -6.9 14.3 -19.3 68 83 A K S < S- 0 0 126 -3,-0.8 -2,-0.1 -34,-0.0 -1,-0.1 0.237 92.6-110.2-122.0 5.8 -10.3 14.6 -21.0 69 84 A G S S+ 0 0 56 3,-0.1 4,-0.1 -4,-0.1 -3,-0.1 0.790 78.6 131.7 65.2 27.6 -12.4 12.7 -18.4 70 85 A Q S S+ 0 0 110 -5,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.494 76.3 29.0 -81.3 -4.1 -12.9 9.8 -20.8 71 86 A V S S- 0 0 24 -6,-0.1 5,-0.1 1,-0.1 26,-0.0 -0.863 109.1 -62.7-143.2 170.5 -11.9 7.6 -17.9 72 87 A I >> - 0 0 18 -2,-0.3 4,-1.7 1,-0.1 3,-1.1 -0.192 51.9-110.6 -58.1 152.1 -12.1 7.7 -14.1 73 88 A K H 3> S+ 0 0 134 24,-0.3 4,-2.6 1,-0.3 5,-0.2 0.866 116.0 62.2 -56.3 -39.9 -10.2 10.5 -12.4 74 89 A A H 3> S+ 0 0 0 22,-2.8 4,-3.0 1,-0.2 -1,-0.3 0.832 105.7 47.9 -58.0 -31.1 -7.7 8.1 -10.9 75 90 A W H <> S+ 0 0 10 -3,-1.1 4,-2.7 21,-0.3 5,-0.4 0.892 108.9 50.4 -75.9 -46.0 -6.6 7.1 -14.5 76 91 A D H X S+ 0 0 27 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.901 120.5 39.5 -56.9 -39.5 -6.3 10.7 -15.9 77 92 A I H < S+ 0 0 50 -4,-2.6 4,-0.4 -5,-0.2 -2,-0.2 0.941 121.8 40.3 -73.3 -49.5 -4.1 11.4 -12.8 78 93 A G H >< S+ 0 0 0 -4,-3.0 3,-1.5 -5,-0.2 4,-0.3 0.899 112.0 51.9 -69.7 -46.1 -2.2 8.1 -12.7 79 94 A V H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.855 101.4 63.5 -64.4 -31.2 -1.6 7.5 -16.4 80 95 A A T 3< S+ 0 0 36 -4,-0.7 -1,-0.3 -5,-0.4 -2,-0.2 0.716 101.7 52.8 -59.9 -22.6 -0.1 11.0 -16.6 81 96 A T T < S+ 0 0 45 -3,-1.5 -1,-0.3 -4,-0.4 2,-0.2 0.483 93.6 97.3 -90.3 -5.7 2.6 9.9 -14.2 82 97 A M < - 0 0 0 -3,-1.6 2,-0.3 -4,-0.3 -57,-0.1 -0.565 62.0-141.7 -94.6 150.4 3.6 6.8 -16.2 83 98 A K > - 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