==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 28-FEB-13 4JFK . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.WANG,A.KIRSCHNER,A.FABIAN,R.GOPALAKRISHNAN,C.KRESS,B.HOOGE . 129 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 66.7 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 . 42 32.6 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 . 7 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 10.9 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 0 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 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 0 1 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 13 A G > 0 0 85 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-173.4 -4.7 -1.2 -6.9 2 14 A A H > + 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.874 360.0 52.8 -58.1 -41.9 -2.0 -3.7 -6.1 3 15 A P H > S+ 0 0 46 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.931 111.6 46.6 -61.3 -42.8 0.6 -2.3 -8.5 4 16 A A H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.900 111.3 53.4 -60.9 -41.5 0.2 1.2 -7.0 5 17 A T H X S+ 0 0 71 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.924 110.6 44.1 -65.4 -43.8 0.4 -0.3 -3.5 6 18 A V H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.889 112.9 54.0 -69.1 -32.3 3.7 -2.2 -4.1 7 19 A T H < S+ 0 0 61 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.918 121.5 29.4 -60.8 -43.5 5.1 0.9 -5.9 8 20 A E H < S+ 0 0 136 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.680 135.1 26.5 -93.3 -20.0 4.3 3.1 -2.9 9 21 A Q H < S+ 0 0 140 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.273 91.0 115.4-130.9 6.0 4.6 0.7 0.0 10 22 A G < - 0 0 11 -4,-1.6 2,-0.5 -5,-0.2 14,-0.2 -0.347 62.3-116.2 -82.3 163.4 7.0 -2.0 -1.2 11 23 A E E -A 23 0A 140 12,-2.5 12,-2.0 -2,-0.1 2,-0.6 -0.823 23.6-120.9-101.1 133.4 10.4 -2.9 0.2 12 24 A D E +A 22 0A 22 -2,-0.5 10,-0.2 10,-0.2 -1,-0.0 -0.618 31.3 176.6 -71.6 118.7 13.6 -2.4 -1.8 13 25 A I + 0 0 31 8,-2.1 2,-0.2 -2,-0.6 -1,-0.1 0.239 38.9 116.9-108.1 9.9 15.2 -5.9 -2.0 14 26 A T - 0 0 1 7,-0.5 3,-0.5 1,-0.1 5,-0.1 -0.505 66.1-135.9 -79.0 147.7 18.1 -4.9 -4.3 15 27 A S S S+ 0 0 125 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 0.789 108.9 51.5 -68.0 -28.9 21.7 -5.1 -3.2 16 28 A K S S- 0 0 160 -3,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.633 102.3-135.3 -79.4 -14.6 22.3 -1.7 -4.7 17 29 A K + 0 0 148 -3,-0.5 -2,-0.1 1,-0.1 -5,-0.0 0.943 61.1 136.5 50.9 52.9 19.3 -0.2 -2.9 18 30 A D S S- 0 0 75 3,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.194 72.1-117.9-108.0 13.4 18.3 1.5 -6.1 19 31 A R S S+ 0 0 130 2,-0.2 3,-0.2 -5,-0.1 77,-0.1 0.725 73.6 134.1 51.6 32.3 14.6 0.7 -5.7 20 32 A G S S+ 0 0 4 1,-0.3 76,-2.8 75,-0.1 2,-0.4 0.685 71.4 33.6 -79.3 -21.1 14.7 -1.4 -8.9 21 33 A V E S- B 0 95A 0 74,-0.2 -8,-2.1 2,-0.0 -7,-0.5 -0.951 72.3-174.8-139.2 114.9 12.8 -4.3 -7.3 22 34 A L E -AB 12 94A 7 72,-2.3 72,-2.5 -2,-0.4 2,-0.4 -0.905 7.8-165.9-111.5 144.1 10.2 -3.7 -4.7 23 35 A K E -AB 11 93A 21 -12,-2.0 -12,-2.5 -2,-0.4 2,-0.4 -0.969 18.0-174.0-134.2 143.7 8.4 -6.4 -2.8 24 36 A I E - B 0 92A 39 68,-2.0 68,-2.6 -2,-0.4 2,-0.6 -0.999 26.0-134.9-127.7 131.0 5.4 -7.0 -0.5 25 37 A V E + B 0 91A 66 -2,-0.4 66,-0.3 66,-0.2 3,-0.2 -0.760 26.1 175.9 -81.3 119.4 4.8 -10.4 1.1 26 38 A K E S+ 0 0 128 64,-2.5 2,-0.4 -2,-0.6 65,-0.2 0.818 71.0 23.5 -94.0 -40.9 1.1 -11.2 0.6 27 39 A R E S- B 0 90A 114 63,-2.3 63,-1.9 0, 0.0 -1,-0.3 -0.986 82.8-129.5-130.8 122.4 1.0 -14.7 2.1 28 40 A V - 0 0 119 -2,-0.4 63,-0.0 61,-0.2 2,-0.0 -0.487 28.5-149.1 -69.8 132.5 3.6 -15.8 4.5 29 41 A G - 0 0 13 -2,-0.2 2,-0.4 1,-0.1 59,-0.2 0.001 28.3 -61.0 -90.5-160.0 5.2 -19.1 3.6 30 42 A N S S- 0 0 110 57,-3.2 57,-0.5 3,-0.1 3,-0.3 -0.718 81.3 -37.8-100.3 128.5 6.7 -22.0 5.6 31 43 A G S S- 0 0 67 -2,-0.4 -2,-0.1 1,-0.2 55,-0.1 -0.262 83.3 -69.9 67.8-149.7 9.6 -21.9 8.0 32 44 A E S S+ 0 0 182 2,-0.0 2,-0.3 54,-0.0 -1,-0.2 0.471 88.7 112.2-120.8 -12.1 12.7 -19.8 7.4 33 45 A E - 0 0 140 -3,-0.3 54,-0.6 54,-0.0 -3,-0.1 -0.529 40.9-170.6 -80.9 135.3 14.5 -21.5 4.5 34 46 A T - 0 0 51 -2,-0.3 52,-0.2 52,-0.2 49,-0.1 -0.778 37.1 -86.6-109.0 161.0 14.7 -19.8 1.1 35 47 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.146 41.1-129.2 -64.3 161.2 16.0 -21.5 -2.1 36 48 A M > - 0 0 119 1,-0.1 3,-2.6 33,-0.0 33,-0.3 -0.786 36.3 -76.2-109.0 159.1 19.7 -21.7 -2.9 37 49 A I T 3 S+ 0 0 106 -2,-0.3 33,-0.2 1,-0.3 -1,-0.1 -0.197 119.1 21.0 -48.7 132.6 21.5 -20.8 -6.1 38 50 A G T 3 S+ 0 0 28 31,-3.1 -1,-0.3 1,-0.3 90,-0.2 0.295 89.2 138.0 87.0 -9.7 21.0 -23.5 -8.6 39 51 A D < - 0 0 15 -3,-2.6 30,-2.6 88,-0.1 2,-0.6 -0.366 61.0-115.6 -64.9 147.4 17.9 -25.0 -7.1 40 52 A K E -CD 68 126A 80 86,-2.8 86,-2.1 28,-0.2 2,-0.4 -0.763 39.2-164.2 -77.7 118.0 15.0 -26.0 -9.3 41 53 A V E -CD 67 125A 0 26,-3.0 26,-1.9 -2,-0.6 2,-0.5 -0.921 11.6-156.1-114.0 141.9 12.2 -23.7 -8.3 42 54 A Y E +CD 66 124A 40 82,-2.6 81,-2.3 -2,-0.4 82,-1.3 -0.967 23.6 169.1-117.1 122.1 8.5 -24.1 -9.2 43 55 A V E -CD 65 122A 0 22,-2.7 22,-2.8 -2,-0.5 2,-0.4 -0.926 30.3-147.4-131.8 154.8 6.3 -21.0 -9.3 44 56 A H E + D 0 121A 33 77,-2.0 77,-3.0 -2,-0.3 2,-0.3 -0.951 35.9 163.2-109.0 146.8 2.9 -19.8 -10.3 45 57 A Y E - D 0 120A 3 -2,-0.4 13,-2.2 75,-0.2 14,-0.7 -0.991 31.4-156.2-154.2 161.0 2.7 -16.2 -11.5 46 58 A K E -ED 57 119A 65 73,-2.0 73,-2.3 -2,-0.3 2,-0.4 -0.986 17.3-156.7-137.2 144.2 0.9 -13.5 -13.2 47 59 A G E -ED 56 118A 0 9,-2.4 8,-2.5 -2,-0.3 9,-1.2 -0.971 7.2-172.3-122.4 143.2 2.3 -10.4 -14.8 48 60 A K E -ED 54 117A 65 69,-2.6 69,-2.5 -2,-0.4 6,-0.2 -0.972 18.0-131.7-130.1 144.9 0.8 -7.0 -15.7 49 61 A L E > - D 0 116A 19 4,-2.7 3,-1.9 -2,-0.3 67,-0.1 -0.432 35.6-103.8 -81.7 167.1 2.1 -4.0 -17.6 50 62 A S T 3 S+ 0 0 104 65,-0.6 66,-0.1 1,-0.3 -1,-0.1 0.561 120.8 64.4 -72.8 -8.2 1.9 -0.5 -16.2 51 63 A N T 3 S- 0 0 118 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.336 122.1-106.0 -90.3 6.9 -1.1 0.1 -18.6 52 64 A G S < S+ 0 0 50 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.295 74.6 139.2 90.2 -9.0 -3.0 -2.6 -16.7 53 65 A K - 0 0 44 -5,-0.1 -4,-2.7 1,-0.1 2,-0.3 -0.522 52.8-131.6 -73.9 129.7 -2.8 -5.3 -19.3 54 66 A K E +E 48 0A 115 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.644 27.1 178.8 -68.6 129.8 -2.1 -8.9 -18.1 55 67 A F E + 0 0 10 -8,-2.5 2,-0.3 -2,-0.3 -7,-0.2 0.576 58.7 3.9-110.5 -12.7 0.7 -10.2 -20.3 56 68 A D E +E 47 0A 16 -9,-1.2 -9,-2.4 53,-0.0 -1,-0.3 -0.977 50.7 179.3-166.9 154.7 1.3 -13.7 -18.9 57 69 A S E -E 46 0A 8 -2,-0.3 4,-0.3 -11,-0.2 -11,-0.2 -0.852 18.5-162.2-160.3 126.3 -0.1 -16.2 -16.4 58 70 A S S >>>S+ 0 0 0 -13,-2.2 3,-1.4 -2,-0.3 5,-1.2 0.807 94.5 65.3 -75.0 -30.5 1.1 -19.7 -15.5 59 71 A H G >45S+ 0 0 80 -14,-0.7 3,-1.4 1,-0.3 -1,-0.2 0.900 96.6 55.8 -56.2 -41.0 -2.3 -20.4 -13.8 60 72 A D G 345S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.664 106.7 51.2 -67.4 -17.5 -4.0 -20.0 -17.2 61 73 A R G <45S- 0 0 101 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.442 104.2-130.2 -92.3 -8.7 -1.6 -22.8 -18.6 62 74 A N T <<5S+ 0 0 149 -3,-1.4 -3,-0.2 -4,-0.6 -2,-0.1 0.802 78.3 85.2 58.7 33.0 -2.4 -25.2 -15.7 63 75 A E S -C 40 0A 39 -2,-0.3 3,-0.9 -28,-0.2 5,-0.4 -0.869 47.6-118.7 -96.5 123.6 17.1 -22.9 -11.9 69 81 A L T 3 S+ 0 0 4 -30,-2.6 -31,-3.1 -2,-0.6 -30,-0.1 -0.305 84.7 10.4 -68.0 138.1 17.6 -20.0 -9.5 70 82 A G T 3 S+ 0 0 34 -33,-0.2 -1,-0.2 -32,-0.1 -33,-0.1 0.679 95.0 103.9 77.5 22.3 20.4 -17.5 -9.8 71 83 A K S < S- 0 0 123 -3,-0.9 -2,-0.1 -34,-0.0 -1,-0.1 0.280 93.5-107.1-118.1 8.5 21.5 -18.5 -13.3 72 84 A G S S+ 0 0 33 3,-0.1 4,-0.1 -4,-0.1 -3,-0.1 0.797 80.1 129.8 66.1 28.9 20.0 -15.7 -15.4 73 85 A Q S S+ 0 0 94 -5,-0.4 2,-0.3 2,-0.1 -4,-0.1 0.535 76.2 29.8 -83.8 -8.8 17.3 -18.0 -16.9 74 86 A V S S- 0 0 0 -6,-0.1 5,-0.1 1,-0.1 -2,-0.0 -0.867 109.0 -65.7-138.7 169.2 14.8 -15.3 -15.9 75 87 A I >> - 0 0 0 55,-2.0 4,-1.8 -2,-0.3 3,-1.2 -0.178 52.5-108.3 -57.0 153.8 14.9 -11.5 -15.6 76 88 A K H 3> S+ 0 0 124 24,-0.3 4,-2.7 1,-0.3 5,-0.3 0.869 116.9 60.4 -55.5 -42.0 17.1 -10.1 -12.8 77 89 A A H 3> S+ 0 0 0 22,-2.7 4,-2.7 1,-0.2 -1,-0.3 0.818 106.0 48.4 -56.1 -35.8 14.1 -9.1 -10.7 78 90 A W H <> S+ 0 0 0 -3,-1.2 4,-2.7 21,-0.3 5,-0.5 0.890 109.5 50.1 -73.4 -43.7 13.0 -12.7 -10.5 79 91 A D H X S+ 0 0 25 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.949 119.2 40.0 -58.2 -43.9 16.4 -14.1 -9.6 80 92 A I H X S+ 0 0 52 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.947 120.9 42.8 -68.7 -49.0 16.6 -11.5 -6.9 81 93 A G H >< S+ 0 0 0 -4,-2.7 3,-1.4 -5,-0.3 4,-0.3 0.920 112.4 48.6 -70.0 -46.7 12.9 -11.8 -5.8 82 94 A V H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.871 103.1 64.7 -63.6 -32.1 12.4 -15.5 -5.8 83 95 A A H 3< S+ 0 0 37 -4,-1.1 -1,-0.3 -5,-0.5 -2,-0.2 0.722 100.8 52.5 -61.6 -21.0 15.6 -15.9 -3.8 84 96 A T T << S+ 0 0 45 -3,-1.4 -1,-0.3 -4,-0.5 2,-0.2 0.494 92.9 100.1 -88.9 -6.3 13.9 -14.0 -0.9 85 97 A M < - 0 0 0 -3,-1.8 2,-0.2 -4,-0.3 3,-0.0 -0.551 59.8-143.6 -91.9 146.2 10.8 -16.3 -0.8 86 98 A K > - 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0 0 83 -76,-2.8 3,-2.4 -2,-0.6 -19,-0.2 -0.391 37.4-103.1 -69.6 158.7 11.9 -1.4 -13.0 97 109 A P G > >S+ 0 0 13 0, 0.0 5,-2.1 0, 0.0 3,-1.9 0.790 118.3 66.4 -61.1 -27.1 13.1 -2.1 -16.6 98 110 A E G 3 5S+ 0 0 132 1,-0.3 -22,-0.1 3,-0.1 -78,-0.1 0.676 109.0 40.1 -64.9 -18.6 16.8 -2.3 -15.6 99 111 A Y G < 5S+ 0 0 24 -3,-2.4 -22,-2.7 -79,-0.2 -21,-0.3 0.134 128.2 31.4-111.2 15.5 15.8 -5.5 -13.7 100 112 A A T < 5S- 0 0 11 -3,-1.9 -24,-0.3 -24,-0.2 15,-0.1 0.011 127.1 -31.1-136.5-118.7 13.5 -6.7 -16.4 101 113 A Y T >>5S- 0 0 18 13,-0.4 4,-1.9 1,-0.2 3,-0.7 0.357 72.3-162.5-103.7 5.9 13.6 -6.2 -20.2 102 114 A G T 34< - 0 0 21 -5,-2.1 11,-2.4 1,-0.2 12,-0.6 -0.065 59.1 -26.6 60.0-150.4 15.3 -2.8 -20.4 103 115 A S T 34 S+ 0 0 91 9,-0.2 -1,-0.2 1,-0.2 9,-0.1 0.718 134.7 63.2 -72.5 -23.3 15.1 -0.7 -23.5 104 116 A A T <4 S- 0 0 83 -3,-0.7 -2,-0.2 1,-0.1 -1,-0.2 0.890 82.0-169.0 -69.4 -37.5 14.7 -3.8 -25.7 105 117 A G < - 0 0 12 -4,-1.9 2,-0.3 6,-0.2 7,-0.1 -0.332 29.2 -92.1 68.3-165.7 11.4 -5.0 -24.3 106 118 A S B > -G 110 0B 35 4,-2.4 4,-2.8 -2,-0.1 3,-0.5 -0.827 50.7 -98.1-151.8 106.2 10.2 -8.4 -25.3 107 119 A L T 4 S+ 0 0 150 -2,-0.3 -2,-0.0 1,-0.3 -3,-0.0 -0.457 91.8 13.3 -72.2 143.5 7.9 -8.9 -28.4 108 120 A P T 4 S+ 0 0 116 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.992 134.1 20.5 -92.5 -6.5 5.1 -9.2 -28.7 109 121 A K T 4 S+ 0 0 100 -3,-0.5 -2,-0.2 1,-0.1 -60,-0.0 0.741 103.5 67.3 -99.9 -28.3 3.8 -8.1 -25.3 110 122 A I B < -G 106 0B 4 -4,-2.8 -4,-2.4 -55,-0.1 -1,-0.1 -0.864 66.3-149.7-109.5 117.5 6.4 -6.0 -23.3 111 123 A P > - 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