==== 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 4JFL . 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) . 7031.0 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 . 44 34.1 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 . 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 . 13 10.1 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 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 . 2 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,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-171.8 -4.7 -1.2 -6.8 2 14 A A H > + 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.885 360.0 52.0 -59.3 -40.6 -2.0 -3.7 -6.1 3 15 A P H > S+ 0 0 46 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.930 112.1 46.9 -63.0 -42.3 0.7 -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 0.903 111.3 53.1 -61.5 -39.8 0.2 1.2 -7.0 5 17 A T H X S+ 0 0 70 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.927 110.5 44.3 -65.9 -44.2 0.5 -0.3 -3.5 6 18 A V H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.884 112.9 53.6 -68.6 -34.3 3.7 -2.1 -4.1 7 19 A T H < S+ 0 0 62 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.916 121.5 30.1 -58.9 -43.2 5.1 1.0 -5.9 8 20 A E H < S+ 0 0 138 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.659 135.2 25.8 -93.1 -20.2 4.3 3.2 -2.9 9 21 A Q H < S+ 0 0 140 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.241 91.0 116.0-132.6 7.7 4.6 0.7 0.0 10 22 A G < - 0 0 12 -4,-1.5 2,-0.5 -5,-0.2 14,-0.2 -0.386 61.6-117.2 -82.8 161.8 7.0 -1.9 -1.1 11 23 A E E -A 23 0A 141 12,-2.5 12,-2.0 -2,-0.1 2,-0.5 -0.831 23.0-120.8-100.2 134.8 10.4 -2.8 0.3 12 24 A D E +A 22 0A 20 -2,-0.5 10,-0.2 10,-0.2 -1,-0.0 -0.612 31.3 176.2 -73.1 118.0 13.6 -2.4 -1.8 13 25 A I + 0 0 26 8,-2.1 2,-0.2 -2,-0.5 -1,-0.1 0.196 38.6 116.8-108.2 11.3 15.2 -5.8 -1.9 14 26 A T - 0 0 0 7,-0.4 3,-0.3 1,-0.1 5,-0.1 -0.507 66.9-134.4 -80.3 149.9 18.1 -4.9 -4.2 15 27 A S S S+ 0 0 123 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 0.793 109.4 50.7 -67.0 -30.7 21.7 -5.1 -3.1 16 28 A K S S- 0 0 153 -3,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.627 101.4-135.3 -78.9 -16.8 22.3 -1.7 -4.6 17 29 A K + 0 0 133 -3,-0.3 -2,-0.1 1,-0.1 -5,-0.1 0.920 61.4 136.2 54.1 48.5 19.3 -0.1 -2.9 18 30 A D S S- 0 0 73 3,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.214 72.8-117.5-105.4 12.3 18.3 1.6 -6.1 19 31 A R S S+ 0 0 125 2,-0.2 3,-0.2 -5,-0.1 77,-0.1 0.737 73.4 135.2 52.4 34.0 14.6 0.7 -5.6 20 32 A G S S+ 0 0 4 1,-0.3 76,-2.8 75,-0.1 2,-0.4 0.684 71.1 31.9 -78.6 -23.2 14.8 -1.4 -8.8 21 33 A V E S- B 0 95A 0 74,-0.2 -8,-2.1 2,-0.0 -7,-0.4 -0.956 72.4-174.5-139.3 115.3 12.9 -4.3 -7.2 22 34 A L E -AB 12 94A 6 72,-2.3 72,-2.5 -2,-0.4 2,-0.4 -0.917 7.8-165.1-112.8 147.0 10.2 -3.6 -4.6 23 35 A K E -AB 11 93A 20 -12,-2.0 -12,-2.5 -2,-0.4 2,-0.4 -0.967 18.5-174.1-136.8 141.8 8.4 -6.4 -2.7 24 36 A I E - B 0 92A 39 68,-2.1 68,-2.6 -2,-0.4 2,-0.6 -0.998 25.9-135.3-126.5 131.0 5.4 -6.9 -0.5 25 37 A V E + B 0 91A 64 -2,-0.4 66,-0.3 66,-0.2 3,-0.2 -0.759 25.1 176.4 -82.4 119.3 4.8 -10.3 1.2 26 38 A K E S+ 0 0 129 64,-2.5 2,-0.4 -2,-0.6 65,-0.2 0.809 71.8 22.0 -93.2 -41.3 1.1 -11.1 0.7 27 39 A R E S- B 0 90A 115 63,-2.2 63,-1.8 0, 0.0 -1,-0.3 -0.988 82.6-128.9-129.5 124.5 1.0 -14.6 2.2 28 40 A V - 0 0 122 -2,-0.4 57,-0.0 61,-0.2 63,-0.0 -0.501 28.9-147.4 -70.5 132.2 3.7 -15.7 4.7 29 41 A G - 0 0 13 -2,-0.2 2,-0.5 1,-0.1 59,-0.2 -0.019 29.7 -60.6 -87.7-162.1 5.3 -19.0 3.7 30 42 A N B S-G 87 0B 107 57,-3.1 57,-0.5 3,-0.1 3,-0.3 -0.701 82.2 -39.9 -96.7 127.9 6.7 -21.9 5.8 31 43 A G S S- 0 0 67 -2,-0.5 -2,-0.1 1,-0.2 55,-0.1 -0.258 84.2 -67.2 66.7-148.8 9.6 -21.7 8.2 32 44 A E S S+ 0 0 178 2,-0.0 2,-0.2 54,-0.0 -1,-0.2 0.477 89.0 112.2-119.7 -12.5 12.7 -19.7 7.5 33 45 A E - 0 0 141 -3,-0.3 54,-0.6 54,-0.0 -3,-0.1 -0.507 40.5-171.3 -80.3 137.1 14.4 -21.4 4.5 34 46 A T - 0 0 51 -2,-0.2 52,-0.2 52,-0.2 49,-0.1 -0.801 36.6 -86.7-113.2 160.4 14.7 -19.8 1.1 35 47 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.162 41.5-131.2 -64.5 160.6 15.9 -21.5 -2.0 36 48 A M > - 0 0 120 1,-0.1 3,-2.6 33,-0.0 33,-0.3 -0.785 35.3 -75.9-110.5 160.6 19.5 -21.6 -2.9 37 49 A I T 3 S+ 0 0 104 -2,-0.3 33,-0.2 1,-0.3 -1,-0.1 -0.198 119.6 22.0 -48.6 131.9 21.4 -20.8 -6.1 38 50 A G T 3 S+ 0 0 27 31,-3.1 -1,-0.3 1,-0.3 90,-0.3 0.268 88.9 136.9 89.1 -12.5 20.9 -23.6 -8.5 39 51 A D < - 0 0 15 -3,-2.6 30,-2.7 88,-0.1 2,-0.6 -0.373 61.2-117.3 -65.0 143.8 17.7 -25.0 -7.0 40 52 A K E -CD 68 126A 80 86,-2.8 86,-1.9 28,-0.2 2,-0.4 -0.771 38.7-163.4 -75.4 116.2 14.9 -26.0 -9.3 41 53 A V E -CD 67 125A 0 26,-3.1 26,-1.9 -2,-0.6 2,-0.5 -0.915 11.6-156.4-111.3 140.9 12.1 -23.6 -8.3 42 54 A Y E +CD 66 124A 46 82,-2.6 81,-2.4 -2,-0.4 82,-1.4 -0.967 23.4 168.4-115.8 121.7 8.4 -24.0 -9.1 43 55 A V E -CD 65 122A 0 22,-2.6 22,-2.8 -2,-0.5 2,-0.4 -0.937 30.7-146.7-131.4 154.8 6.3 -20.9 -9.1 44 56 A H E + D 0 121A 34 77,-2.0 77,-3.0 -2,-0.3 2,-0.3 -0.942 36.3 163.4-108.2 146.3 2.9 -19.7 -10.2 45 57 A Y E - D 0 120A 3 -2,-0.4 13,-2.3 75,-0.2 14,-0.7 -0.993 31.8-155.4-153.0 160.7 2.7 -16.1 -11.3 46 58 A K E -ED 57 119A 65 73,-1.8 73,-2.2 -2,-0.3 2,-0.4 -0.985 17.8-156.0-135.3 145.2 0.8 -13.4 -13.2 47 59 A G E -ED 56 118A 0 9,-2.5 8,-2.2 -2,-0.3 9,-1.2 -0.964 7.8-172.4-121.3 141.1 2.4 -10.4 -14.8 48 60 A K E -ED 54 117A 65 69,-2.7 69,-2.5 -2,-0.4 6,-0.2 -0.979 17.7-132.3-129.4 144.1 0.9 -7.0 -15.6 49 61 A L E > - D 0 116A 17 4,-2.6 3,-1.9 -2,-0.4 67,-0.1 -0.435 34.7-105.3 -80.1 166.2 2.2 -4.0 -17.5 50 62 A S T 3 S+ 0 0 105 65,-0.6 66,-0.1 1,-0.3 -1,-0.1 0.578 120.6 63.9 -72.4 -9.7 2.0 -0.5 -16.1 51 63 A N T 3 S- 0 0 120 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.350 122.1-106.0 -89.4 4.1 -0.9 0.1 -18.6 52 64 A G S < S+ 0 0 47 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.305 74.2 139.1 93.3 -10.3 -2.9 -2.5 -16.7 53 65 A K - 0 0 63 -5,-0.1 -4,-2.6 1,-0.1 2,-0.5 -0.540 53.1-132.4 -72.7 128.6 -2.6 -5.3 -19.3 54 66 A K E +E 48 0A 107 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.677 27.6 178.8 -70.9 123.2 -2.1 -8.8 -18.0 55 67 A F E + 0 0 18 -8,-2.2 2,-0.3 -2,-0.5 -7,-0.2 0.587 58.7 5.9-104.4 -13.4 0.8 -10.1 -20.2 56 68 A D E +E 47 0A 21 -9,-1.2 -9,-2.5 53,-0.0 -1,-0.3 -0.976 51.2 178.3-165.8 152.6 1.3 -13.6 -18.7 57 69 A S E -E 46 0A 8 -2,-0.3 4,-0.3 -11,-0.2 -11,-0.2 -0.857 18.6-162.6-159.4 124.7 -0.1 -16.1 -16.3 58 70 A S S >>>S+ 0 0 0 -13,-2.3 5,-1.3 -2,-0.3 3,-1.2 0.817 95.0 64.3 -72.1 -31.7 1.0 -19.6 -15.4 59 71 A H G >45S+ 0 0 80 -14,-0.7 3,-1.3 1,-0.3 -1,-0.2 0.904 97.3 55.8 -56.4 -40.8 -2.4 -20.2 -13.7 60 72 A D G 345S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.683 107.6 49.8 -67.3 -18.7 -4.0 -19.8 -17.1 61 73 A R G <45S- 0 0 103 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.449 104.5-129.7 -94.2 -6.1 -1.7 -22.6 -18.5 62 74 A N T <<5S+ 0 0 147 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.800 78.4 85.9 57.8 32.7 -2.5 -25.1 -15.7 63 75 A E S -C 40 0A 39 -2,-0.3 3,-1.0 -28,-0.2 5,-0.5 -0.849 48.3-118.1 -95.3 122.6 17.0 -22.8 -11.9 69 81 A L T 3 S+ 0 0 4 -30,-2.7 -31,-3.1 -2,-0.6 -30,-0.1 -0.308 85.3 9.7 -67.7 136.7 17.5 -20.0 -9.4 70 82 A G T 3 S+ 0 0 34 -33,-0.2 -1,-0.2 -32,-0.1 -33,-0.1 0.663 94.5 104.3 79.1 20.4 20.3 -17.5 -9.8 71 83 A K S < S- 0 0 122 -3,-1.0 -2,-0.1 -34,-0.0 -1,-0.1 0.246 93.7-106.4-115.1 9.6 21.4 -18.5 -13.3 72 84 A G S S+ 0 0 31 3,-0.1 4,-0.1 -4,-0.1 -3,-0.1 0.785 80.9 129.9 66.5 26.8 19.9 -15.7 -15.4 73 85 A Q S S+ 0 0 92 -5,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.535 76.7 29.6 -80.3 -9.9 17.2 -18.0 -16.8 74 86 A V S S- 0 0 0 -6,-0.1 5,-0.1 1,-0.1 26,-0.0 -0.868 108.9 -66.4-138.2 170.1 14.8 -15.3 -15.8 75 87 A I >> - 0 0 0 55,-2.0 4,-1.8 -2,-0.3 3,-1.3 -0.185 52.3-108.5 -58.3 153.3 14.9 -11.5 -15.4 76 88 A K H 3> S+ 0 0 131 24,-0.3 4,-2.7 1,-0.3 5,-0.3 0.869 116.7 61.4 -56.0 -40.1 17.1 -10.1 -12.7 77 89 A A H 3> S+ 0 0 0 22,-2.8 4,-2.7 1,-0.2 -1,-0.3 0.806 106.1 47.7 -56.9 -35.3 14.1 -9.1 -10.6 78 90 A W H <> S+ 0 0 0 -3,-1.3 4,-2.7 21,-0.3 5,-0.5 0.881 109.0 50.6 -74.9 -43.6 13.0 -12.7 -10.4 79 91 A D H X S+ 0 0 25 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.947 119.8 39.3 -57.7 -42.9 16.4 -14.1 -9.5 80 92 A I H < S+ 0 0 51 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.945 121.0 42.9 -69.8 -49.2 16.6 -11.5 -6.7 81 93 A G H >< S+ 0 0 0 -4,-2.7 3,-1.3 -5,-0.3 4,-0.3 0.910 112.5 48.5 -69.6 -46.8 12.9 -11.7 -5.6 82 94 A V H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.866 103.1 64.8 -65.6 -31.6 12.3 -15.5 -5.7 83 95 A A T 3< S+ 0 0 36 -4,-1.0 -1,-0.3 -5,-0.5 -2,-0.2 0.724 100.4 52.7 -61.6 -20.2 15.6 -15.9 -3.7 84 96 A T T < S+ 0 0 43 -3,-1.3 -1,-0.3 -4,-0.5 2,-0.2 0.505 92.7 101.1 -89.6 -7.2 13.9 -14.0 -0.8 85 97 A M < - 0 0 0 -3,-1.8 2,-0.2 -4,-0.3 -57,-0.1 -0.547 59.5-143.6 -90.6 145.6 10.8 -16.3 -0.7 86 98 A K > - 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