==== 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 3O5D . 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 . 484 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 70.0 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 . 174 36.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 47 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.7 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 4 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 . 7 6 2 2 2 7 1 0 1 3 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 0 2 0 0 0 0 1 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 S > 0 0 111 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 116.1 -53.8 -21.9 -8.4 2 14 A P T 3 + 0 0 81 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.726 360.0 56.7 -71.6 -23.5 -51.6 -19.6 -6.2 3 15 A T T 3> S+ 0 0 56 1,-0.2 4,-0.9 2,-0.1 49,-0.0 0.520 88.2 81.6 -84.5 -6.9 -50.6 -17.4 -9.1 4 16 A A H <> S+ 0 0 47 -3,-0.8 4,-1.2 1,-0.2 5,-0.3 0.884 85.9 50.4 -69.1 -44.5 -54.3 -16.6 -10.0 5 17 A T H > S+ 0 0 54 -4,-0.4 4,-2.5 -3,-0.3 5,-0.4 0.898 112.7 45.0 -65.4 -43.9 -55.0 -13.8 -7.4 6 18 A V H 4 S+ 0 0 0 -4,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.707 110.9 56.1 -73.9 -21.0 -51.9 -11.7 -8.3 7 19 A A H < S+ 0 0 37 -4,-0.9 -1,-0.2 -3,-0.1 -2,-0.2 0.757 122.0 23.1 -80.7 -27.1 -52.5 -12.1 -12.0 8 20 A E H < S+ 0 0 170 -4,-1.2 -2,-0.2 -3,-0.3 -3,-0.2 0.715 135.2 29.0-113.1 -31.5 -56.1 -10.7 -12.0 9 21 A Q S < S+ 0 0 147 -4,-2.5 -3,-0.2 -5,-0.3 2,-0.1 0.409 87.1 126.2-112.1 -1.4 -56.4 -8.5 -8.9 10 22 A G - 0 0 10 -5,-0.4 2,-0.4 -4,-0.3 14,-0.2 -0.364 60.1-123.5 -66.6 132.4 -52.7 -7.4 -8.6 11 23 A E E -A 23 0A 137 12,-2.3 12,-1.9 -2,-0.1 2,-0.5 -0.611 21.1-125.0 -78.8 129.7 -52.0 -3.6 -8.5 12 24 A D E +A 22 0A 17 -2,-0.4 10,-0.2 10,-0.2 -1,-0.1 -0.643 32.5 173.0 -76.4 120.4 -49.7 -2.3 -11.2 13 25 A I + 0 0 37 8,-1.5 2,-0.2 -2,-0.5 -1,-0.1 0.158 33.7 122.1-117.1 16.1 -46.8 -0.4 -9.5 14 26 A T - 0 0 4 7,-0.4 3,-0.3 1,-0.1 5,-0.1 -0.541 64.5-131.0 -81.5 147.3 -44.6 0.3 -12.5 15 27 A S S S+ 0 0 126 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 0.819 111.3 42.8 -66.6 -34.6 -43.6 3.8 -13.4 16 28 A K S S- 0 0 175 -3,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.592 105.7-131.1 -83.7 -13.3 -44.6 3.3 -17.1 17 29 A K + 0 0 132 -3,-0.3 -2,-0.1 1,-0.1 -5,-0.1 0.946 60.0 141.0 56.4 54.5 -47.8 1.5 -16.0 18 30 A D S S- 0 0 61 3,-0.0 -1,-0.1 0, 0.0 -3,-0.1 0.194 71.9-111.4-107.8 12.3 -47.1 -1.4 -18.5 19 31 A R S S+ 0 0 126 2,-0.2 3,-0.1 -5,-0.1 77,-0.1 0.741 76.5 135.4 59.6 27.5 -48.2 -4.2 -16.1 20 32 A G S S+ 0 0 0 1,-0.2 76,-3.1 75,-0.1 2,-0.4 0.825 71.5 30.5 -71.8 -34.2 -44.6 -5.4 -15.8 21 33 A V E S- B 0 95A 0 74,-0.2 -8,-1.5 72,-0.0 2,-0.4 -0.991 70.5-174.3-130.6 123.7 -44.9 -5.8 -12.1 22 34 A L E -AB 12 94A 3 72,-1.4 72,-2.0 -2,-0.4 2,-0.4 -0.969 9.3-160.6-121.1 134.4 -48.1 -6.7 -10.3 23 35 A K E +AB 11 93A 21 -12,-1.9 -12,-2.3 -2,-0.4 2,-0.4 -0.922 15.7 177.9-125.2 137.2 -48.5 -6.8 -6.5 24 36 A I E - B 0 92A 33 68,-1.6 68,-2.9 -2,-0.4 2,-0.4 -0.987 25.3-135.5-134.2 125.2 -50.9 -8.4 -3.9 25 37 A V E + B 0 91A 73 -2,-0.4 66,-0.3 66,-0.2 3,-0.1 -0.670 24.6 173.0 -79.7 125.7 -50.4 -8.1 -0.2 26 38 A K E S+ 0 0 123 64,-2.4 2,-0.4 -2,-0.4 65,-0.2 0.812 74.4 22.4 -98.3 -45.0 -50.9 -11.5 1.7 27 39 A R E S- B 0 90A 119 63,-1.8 63,-1.9 0, 0.0 -1,-0.4 -0.997 81.8-128.7-124.3 130.8 -49.9 -10.4 5.2 28 40 A V - 0 0 125 -2,-0.4 63,-0.0 61,-0.2 57,-0.0 -0.613 26.2-141.5 -77.2 129.5 -49.9 -6.7 6.3 29 41 A G - 0 0 21 -2,-0.4 2,-0.4 1,-0.1 59,-0.2 -0.021 16.9-104.1 -76.6-173.5 -46.6 -5.6 7.8 30 42 A N B S+H 87 0B 76 57,-3.1 57,-0.6 59,-0.0 2,-0.2 -0.938 71.3 25.4-120.5 142.5 -46.1 -3.2 10.8 31 43 A G S S- 0 0 68 -2,-0.4 3,-0.1 55,-0.1 55,-0.0 -0.682 74.0 -98.6 110.1-164.1 -45.0 0.4 10.8 32 44 A E S S+ 0 0 179 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 0.646 84.5 81.9-127.3 -43.0 -45.2 3.3 8.4 33 45 A E - 0 0 58 1,-0.0 54,-0.4 53,-0.0 -1,-0.1 -0.497 61.5-145.6 -80.0 138.2 -41.9 3.7 6.5 34 46 A T - 0 0 50 -2,-0.2 52,-0.2 52,-0.1 49,-0.1 -0.742 38.7 -86.6 -93.9 148.6 -40.9 1.7 3.5 35 47 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.201 48.9-139.6 -55.5 144.9 -37.2 0.7 2.9 36 48 A M > - 0 0 57 1,-0.1 3,-0.7 -3,-0.1 2,-0.3 -0.286 31.2 -64.9-100.5-176.4 -35.1 3.3 1.1 37 49 A I B 3 S+I 140 0C 40 103,-0.7 103,-1.0 1,-0.2 33,-0.2 -0.560 121.8 10.4 -71.9 126.5 -32.4 3.3 -1.6 38 50 A G T 3 S+ 0 0 2 31,-3.8 -1,-0.2 -2,-0.3 32,-0.1 0.101 92.6 142.0 91.4 -21.4 -29.2 1.6 -0.4 39 51 A D < - 0 0 0 -3,-0.7 30,-1.7 30,-0.1 2,-0.6 -0.239 57.7-116.6 -55.3 135.5 -31.0 0.2 2.7 40 52 A K E -CD 68 126A 82 86,-1.6 86,-3.2 87,-0.4 2,-0.4 -0.674 37.8-165.2 -79.3 118.5 -29.9 -3.3 3.8 41 53 A V E -CD 67 125A 0 26,-2.4 26,-1.3 -2,-0.6 2,-0.5 -0.881 15.1-152.9-117.3 138.7 -32.9 -5.6 3.5 42 54 A Y E +CD 66 124A 51 82,-3.4 81,-2.2 -2,-0.4 82,-1.2 -0.924 28.1 167.2-110.7 124.9 -33.5 -9.1 4.9 43 55 A V E -CD 65 122A 0 22,-2.4 22,-2.3 -2,-0.5 2,-0.4 -0.894 34.8-149.1-136.1 160.9 -36.0 -11.3 3.1 44 56 A H E + D 0 121A 34 77,-1.3 77,-1.7 -2,-0.3 2,-0.2 -0.963 34.2 178.0-128.4 116.8 -37.4 -14.8 2.6 45 57 A Y - 0 0 18 -2,-0.4 13,-0.8 75,-0.2 14,-0.5 -0.642 26.2-160.9-118.4 169.6 -38.6 -15.6 -1.0 46 58 A K E -E 57 0A 71 73,-0.4 73,-1.6 -2,-0.2 2,-0.5 -0.842 15.4-159.7-151.7 111.0 -40.0 -18.3 -3.2 47 59 A G E -EF 56 118A 0 9,-2.9 8,-2.2 -2,-0.3 9,-0.9 -0.832 10.7-179.7-102.9 125.7 -39.8 -18.1 -7.0 48 60 A K E -EF 54 117A 60 69,-2.4 69,-2.4 -2,-0.5 6,-0.2 -0.958 20.4-129.3-125.2 142.0 -42.1 -20.0 -9.3 49 61 A L - 0 0 28 4,-2.8 3,-0.4 -2,-0.4 67,-0.1 -0.100 37.7 -95.5 -74.6 177.4 -42.2 -20.2 -13.1 50 62 A S S S+ 0 0 93 65,-0.3 -1,-0.1 1,-0.2 66,-0.1 0.769 126.5 54.1 -66.4 -27.5 -45.3 -19.7 -15.3 51 63 A N S S- 0 0 126 2,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.699 122.9-104.9 -78.8 -22.1 -45.8 -23.5 -15.4 52 64 A G S S+ 0 0 37 -3,-0.4 2,-0.2 1,-0.3 -2,-0.1 0.231 73.8 134.3 119.7 -11.3 -45.7 -23.7 -11.6 53 65 A K - 0 0 151 -5,-0.1 -4,-2.8 1,-0.1 -1,-0.3 -0.492 53.1-126.1 -75.6 135.7 -42.2 -25.1 -10.9 54 66 A K E +E 48 0A 106 -6,-0.2 -6,-0.2 -2,-0.2 3,-0.1 -0.607 30.6 170.8 -77.1 138.1 -40.0 -23.6 -8.2 55 67 A F E + 0 0 17 -8,-2.2 2,-0.3 1,-0.3 -1,-0.1 0.669 62.0 13.3-116.7 -32.2 -36.6 -22.5 -9.3 56 68 A D E +E 47 0A 66 -9,-0.9 -9,-2.9 3,-0.0 -1,-0.3 -0.989 54.8 163.8-153.8 138.5 -35.1 -20.6 -6.3 57 69 A S E > -E 46 0A 4 -2,-0.3 3,-0.6 -11,-0.2 -11,-0.2 -0.982 36.2-134.6-152.6 147.0 -35.8 -19.9 -2.6 58 70 A S G > >S+ 0 0 2 -13,-0.8 5,-1.4 -2,-0.3 3,-0.9 0.675 99.4 70.7 -74.1 -18.8 -33.8 -18.5 0.3 59 71 A H G > 5S+ 0 0 107 -14,-0.5 3,-0.6 1,-0.2 -1,-0.2 0.765 89.2 58.9 -73.1 -27.7 -35.0 -21.3 2.6 60 72 A D G < 5S+ 0 0 97 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.518 103.8 53.5 -79.8 -4.8 -32.9 -24.0 0.9 61 73 A R G < 5S- 0 0 167 -3,-0.9 -1,-0.2 2,-0.3 -2,-0.2 0.481 109.7-134.0 -91.9 -11.7 -29.9 -21.9 1.8 62 74 A N T < 5S+ 0 0 145 -3,-0.6 -3,-0.2 -4,-0.2 -2,-0.1 0.767 73.5 78.2 62.1 32.2 -31.3 -22.0 5.4 63 75 A E S > -C 40 0A 19 -2,-0.3 3,-0.7 -28,-0.2 5,-0.6 -0.813 45.1-129.8 -88.4 129.5 -28.8 -3.4 -0.9 69 81 A L T 3 5S+ 0 0 3 -30,-1.7 -31,-3.8 -2,-0.5 -30,-0.1 -0.581 83.5 16.5 -85.6 140.2 -32.0 -2.1 -2.4 70 82 A G T 3 5S+ 0 0 20 -2,-0.3 -1,-0.2 -33,-0.2 -33,-0.1 0.314 98.6 97.3 85.3 -7.4 -32.1 0.2 -5.5 71 83 A K T < 5S- 0 0 110 -3,-0.7 -2,-0.1 8,-0.0 -1,-0.0 0.490 97.7-113.8 -90.2 -5.4 -28.5 -0.8 -6.4 72 84 A G T 5S+ 0 0 51 -4,-0.2 -3,-0.1 3,-0.1 4,-0.1 0.809 75.1 134.3 74.9 31.4 -29.5 -3.5 -8.9 73 85 A Q S > - 0 0 24 -2,-0.2 4,-1.7 1,-0.1 3,-1.2 -0.337 51.4-109.9 -66.6 151.7 -33.8 -8.1 -10.6 76 88 A K H 3> S+ 0 0 125 24,-0.3 4,-1.9 1,-0.3 5,-0.2 0.813 116.4 60.6 -53.7 -37.2 -35.6 -4.7 -11.3 77 89 A A H 3> S+ 0 0 0 22,-2.3 4,-3.1 2,-0.2 -1,-0.3 0.852 106.1 47.2 -59.8 -38.3 -39.0 -6.1 -10.1 78 90 A W H <>>S+ 0 0 15 -3,-1.2 4,-3.1 21,-0.3 5,-0.6 0.960 106.7 56.4 -66.8 -53.4 -37.5 -6.7 -6.7 79 91 A D H X5S+ 0 0 25 -4,-1.7 4,-0.6 1,-0.2 -2,-0.2 0.861 121.1 30.3 -44.7 -45.6 -35.9 -3.2 -6.4 80 92 A I H <5S+ 0 0 54 -4,-1.9 4,-0.3 2,-0.1 -2,-0.2 0.934 120.2 52.1 -79.7 -51.8 -39.3 -1.6 -7.1 81 93 A G H ><5S+ 0 0 0 -4,-3.1 3,-1.1 -5,-0.2 -3,-0.2 0.875 112.2 43.6 -55.5 -47.2 -41.5 -4.3 -5.5 82 94 A V H ><5S+ 0 0 0 -4,-3.1 3,-2.1 1,-0.2 -1,-0.2 0.827 102.3 68.2 -70.8 -31.7 -39.7 -4.4 -2.1 83 95 A A T 3< - 0 0 25 -2,-0.2 3,-1.9 -52,-0.2 2,-0.3 -0.717 42.0 -75.5-109.2 166.5 -43.5 -2.7 5.1 87 99 A K B 3 S+H 30 0B 98 -57,-0.6 -57,-3.1 -54,-0.4 36,-0.2 -0.463 120.2 10.7 -66.2 118.8 -41.5 -4.5 7.8 88 100 A G T 3 S+ 0 0 18 34,-3.7 -1,-0.3 -2,-0.3 35,-0.1 0.331 96.4 139.3 95.5 -5.2 -43.0 -8.0 8.3 89 101 A E < - 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