==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-FEB-12 4DRP . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.GOPALAKRISHNAN,C.KOZANY,S.GAALI,C.KRESS,B.HOOGELAND,A.BRAC . 129 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6992.0 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.9 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 . 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 87 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-157.3 13.4 23.4 13.5 2 14 A A H > + 0 0 30 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.866 360.0 52.1 -60.8 -41.6 11.0 22.0 10.9 3 15 A P H > S+ 0 0 18 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.953 110.5 48.6 -57.9 -47.6 8.2 21.2 13.5 4 16 A A H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.878 107.1 56.0 -61.0 -40.6 8.4 24.8 14.9 5 17 A T H X S+ 0 0 44 -4,-2.2 4,-2.6 2,-0.2 5,-0.4 0.889 107.9 48.8 -56.2 -41.7 8.2 26.2 11.3 6 18 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.937 110.2 51.6 -65.7 -44.2 4.9 24.2 10.8 7 19 A T H < S+ 0 0 64 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.907 118.9 36.9 -52.6 -45.9 3.6 25.6 14.1 8 20 A E H < S+ 0 0 150 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.798 135.7 16.0 -81.6 -33.1 4.4 29.2 13.1 9 21 A Q H < S+ 0 0 142 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.485 89.8 124.6-121.8 -8.0 3.6 29.1 9.3 10 22 A G < - 0 0 16 -4,-2.7 2,-0.4 -5,-0.4 14,-0.2 -0.159 57.5-122.5 -68.5 148.3 1.5 26.0 8.6 11 23 A E E -A 23 0A 132 12,-2.9 12,-2.0 2,-0.0 2,-0.7 -0.759 23.4-124.3 -83.4 134.5 -2.0 26.0 6.9 12 24 A D E +A 22 0A 30 -2,-0.4 10,-0.2 10,-0.2 8,-0.0 -0.720 32.9 175.7 -80.2 112.9 -4.8 24.5 9.0 13 25 A I + 0 0 29 8,-2.2 -1,-0.1 -2,-0.7 9,-0.1 0.262 37.0 116.0-104.7 11.3 -6.2 21.8 6.6 14 26 A T - 0 0 2 7,-0.4 3,-0.4 1,-0.1 5,-0.1 -0.428 68.4-131.1 -75.2 154.6 -8.8 20.3 9.1 15 27 A S S S+ 0 0 128 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.840 111.3 47.8 -67.8 -36.3 -12.6 20.5 8.3 16 28 A K S S- 0 0 140 -3,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.458 103.8-131.9 -83.5 -3.6 -13.1 21.8 11.9 17 29 A K + 0 0 133 -3,-0.4 -2,-0.1 1,-0.1 -5,-0.1 0.923 61.0 138.9 44.6 55.3 -10.3 24.4 11.7 18 30 A D S S- 0 0 54 3,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.152 73.3-112.3-110.4 17.3 -9.0 23.2 15.0 19 31 A R S S+ 0 0 110 2,-0.2 3,-0.2 1,-0.1 77,-0.1 0.648 77.9 133.3 57.4 19.0 -5.3 23.4 14.1 20 32 A G S S+ 0 0 0 1,-0.2 76,-2.9 75,-0.1 2,-0.4 0.769 72.6 27.0 -71.2 -26.1 -5.2 19.6 14.4 21 33 A V E S- B 0 95A 0 74,-0.2 -8,-2.2 59,-0.0 -7,-0.4 -0.956 74.4-174.7-138.9 114.7 -3.3 19.1 11.1 22 34 A L E -AB 12 94A 4 72,-2.4 72,-2.2 -2,-0.4 2,-0.4 -0.904 7.6-164.3-115.5 141.5 -1.0 21.9 9.9 23 35 A K E -AB 11 93A 19 -12,-2.0 -12,-2.9 -2,-0.4 2,-0.4 -0.975 18.3-177.6-134.2 139.2 0.8 21.8 6.5 24 36 A I E - B 0 92A 30 68,-2.0 68,-2.9 -2,-0.4 2,-0.6 -0.991 26.1-135.6-127.7 128.0 3.6 23.6 4.6 25 37 A V E + B 0 91A 65 -2,-0.4 66,-0.2 66,-0.2 3,-0.2 -0.724 24.4 177.0 -77.5 120.4 4.4 22.7 1.0 26 38 A K E S+ 0 0 102 64,-2.5 2,-0.4 -2,-0.6 65,-0.2 0.727 72.7 20.7 -96.9 -32.8 8.2 22.4 0.8 27 39 A R E S- B 0 90A 110 63,-1.9 63,-2.0 0, 0.0 -1,-0.3 -0.958 81.5-129.0-138.0 123.3 8.5 21.3 -2.8 28 40 A V - 0 0 118 -2,-0.4 2,-0.2 61,-0.2 63,-0.0 -0.510 27.5-129.3 -66.8 134.1 5.7 22.0 -5.3 29 41 A G - 0 0 11 -2,-0.2 59,-0.3 1,-0.1 58,-0.1 -0.556 2.2-140.3 -83.1 151.5 4.8 18.8 -7.2 30 42 A N + 0 0 165 57,-0.4 58,-0.2 -2,-0.2 -1,-0.1 0.625 69.6 111.7 -84.8 -16.0 4.6 18.8 -11.0 31 43 A G - 0 0 24 56,-2.5 -2,-0.1 1,-0.1 55,-0.0 -0.286 61.8-145.1 -57.8 141.9 1.5 16.6 -10.9 32 44 A E S S+ 0 0 171 1,-0.1 2,-0.3 54,-0.1 -1,-0.1 0.891 71.7 30.1 -77.4 -44.3 -1.8 18.3 -12.1 33 45 A E S S- 0 0 146 1,-0.0 54,-0.5 3,-0.0 -1,-0.1 -0.818 77.4-110.2-125.1 152.8 -4.5 16.8 -9.9 34 46 A T - 0 0 56 -2,-0.3 52,-0.2 52,-0.1 49,-0.1 -0.426 49.6 -90.3 -72.4 156.9 -4.8 15.3 -6.3 35 47 A P - 0 0 8 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.308 41.0-118.8 -66.4 155.8 -5.4 11.6 -5.9 36 48 A M > - 0 0 135 1,-0.1 3,-2.0 -3,-0.1 33,-0.2 -0.647 40.1 -86.0 -87.5 154.9 -8.9 10.3 -5.8 37 49 A I T 3 S+ 0 0 119 1,-0.3 33,-0.2 -2,-0.2 91,-0.2 -0.366 118.9 27.9 -58.8 135.4 -10.3 8.5 -2.7 38 50 A G T 3 S+ 0 0 3 31,-2.9 -1,-0.3 1,-0.3 32,-0.1 0.075 88.6 136.5 96.1 -24.8 -9.4 4.8 -3.1 39 51 A D < - 0 0 11 -3,-2.0 30,-2.4 29,-0.1 2,-0.6 -0.193 62.4-112.2 -61.0 152.1 -6.3 5.4 -5.2 40 52 A K E -CD 68 126A 100 86,-2.7 86,-2.4 28,-0.2 2,-0.4 -0.770 38.9-160.7 -83.2 116.4 -3.1 3.5 -4.5 41 53 A V E -CD 67 125A 0 26,-3.2 26,-1.7 -2,-0.6 2,-0.5 -0.864 11.3-155.6-106.7 142.4 -0.5 6.0 -3.2 42 54 A Y E +CD 66 124A 38 82,-2.8 81,-1.5 -2,-0.4 82,-1.4 -0.965 25.7 169.4-116.1 116.0 3.3 5.6 -3.1 43 55 A V E -CD 65 122A 0 22,-2.5 22,-3.2 -2,-0.5 2,-0.4 -0.911 31.7-152.3-127.9 155.6 5.1 7.7 -0.5 44 56 A H E + D 0 121A 22 77,-1.6 77,-2.9 -2,-0.3 2,-0.3 -0.975 32.3 179.4-113.6 140.3 8.4 8.3 1.2 45 57 A Y E - D 0 120A 0 -2,-0.4 13,-1.4 75,-0.2 14,-0.7 -0.958 30.6-153.9-140.4 155.8 8.3 9.8 4.8 46 58 A K E -ED 57 119A 88 73,-1.7 73,-2.2 -2,-0.3 2,-0.5 -0.992 21.7-160.5-121.2 132.3 10.3 10.9 7.8 47 59 A G E +ED 56 118A 0 9,-2.7 8,-2.8 -2,-0.4 9,-1.2 -0.975 13.9 172.7-119.0 127.3 8.4 10.7 11.2 48 60 A K E -ED 54 117A 75 69,-2.7 69,-2.8 -2,-0.5 6,-0.2 -0.963 33.7-115.9-129.3 149.9 9.5 12.7 14.2 49 61 A L E > - D 0 116A 14 4,-2.6 3,-2.4 -2,-0.3 67,-0.2 -0.393 47.8 -97.6 -68.3 162.0 8.1 13.4 17.7 50 62 A S T 3 S+ 0 0 69 65,-1.3 -46,-0.1 1,-0.3 -1,-0.1 0.865 126.4 60.8 -51.5 -39.0 7.3 17.1 18.2 51 63 A N T 3 S- 0 0 121 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.419 123.5-104.4 -67.8 -2.4 10.7 17.4 20.0 52 64 A G S < S+ 0 0 29 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.288 71.7 144.6 94.8 -7.9 12.5 16.4 16.8 53 65 A K - 0 0 131 -5,-0.1 -4,-2.6 1,-0.1 -1,-0.3 -0.494 50.9-123.0 -66.2 122.5 13.4 12.8 17.8 54 66 A K E +E 48 0A 111 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.409 34.7 170.8 -66.7 135.6 13.2 10.5 14.8 55 67 A F E - 0 0 8 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.631 62.8 -12.5-116.7 -23.9 10.8 7.5 15.1 56 68 A D E -E 47 0A 21 -9,-1.2 -9,-2.7 4,-0.0 -1,-0.4 -0.926 48.9-173.7-172.3 150.9 10.7 6.0 11.6 57 69 A S E > -E 46 0A 5 -2,-0.3 3,-1.6 -11,-0.2 4,-0.3 -0.941 25.1-144.7-152.0 130.2 11.6 6.7 8.0 58 70 A S G > >S+ 0 0 0 -13,-1.4 5,-1.6 -2,-0.3 3,-1.4 0.779 101.2 70.1 -61.8 -25.6 10.8 4.7 4.9 59 71 A H G 3 5S+ 0 0 76 -14,-0.7 -1,-0.3 1,-0.3 -13,-0.1 0.637 86.3 67.3 -66.1 -17.7 14.2 5.8 3.6 60 72 A D G < 5S+ 0 0 103 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.707 111.0 32.1 -72.7 -23.8 15.8 3.5 6.2 61 73 A R T < 5S- 0 0 109 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.2 0.327 105.1-126.5-113.9 7.7 14.4 0.5 4.4 62 74 A N T 5S+ 0 0 134 -4,-0.4 -3,-0.2 1,-0.2 -4,-0.1 0.871 71.8 118.8 47.8 46.6 14.7 2.0 0.9 63 75 A E < - 0 0 105 -5,-1.6 -2,-0.2 -20,-0.0 -1,-0.2 -0.957 64.6-125.3-145.3 118.0 11.0 1.1 0.2 64 76 A P - 0 0 37 0, 0.0 2,-0.5 0, 0.0 -20,-0.2 -0.267 29.4-119.2 -54.9 148.6 8.1 3.5 -0.5 65 77 A F E -C 43 0A 47 -22,-3.2 -22,-2.5 2,-0.0 2,-0.5 -0.833 32.2-159.5 -91.9 129.0 5.1 3.1 1.9 66 78 A V E +C 42 0A 53 -2,-0.5 2,-0.3 -24,-0.2 -24,-0.2 -0.935 22.1 145.2-120.9 126.0 2.0 2.1 -0.1 67 79 A F E -C 41 0A 6 -26,-1.7 -26,-3.2 -2,-0.5 2,-0.6 -0.951 48.5-101.0-146.2 168.7 -1.6 2.5 1.0 68 80 A S E > -C 40 0A 37 -2,-0.3 3,-1.0 -28,-0.2 5,-0.4 -0.861 46.6-119.0 -92.7 123.5 -5.1 3.3 -0.4 69 81 A L T 3 S+ 0 0 2 -30,-2.4 -31,-2.9 -2,-0.6 10,-0.1 -0.332 85.6 6.8 -64.8 134.5 -6.1 6.9 0.2 70 82 A G T 3 S+ 0 0 37 -33,-0.2 -1,-0.2 -32,-0.1 -33,-0.1 0.605 95.0 107.4 78.5 16.2 -9.2 7.8 2.4 71 83 A K S < S- 0 0 120 -3,-1.0 -2,-0.1 -33,-0.0 -1,-0.1 0.298 91.7-109.2-106.6 7.3 -9.9 4.2 3.5 72 84 A G S S+ 0 0 60 3,-0.1 -3,-0.1 -4,-0.1 4,-0.1 0.820 79.1 130.5 65.2 34.6 -8.7 4.5 7.2 73 85 A Q S S+ 0 0 105 -5,-0.4 2,-0.3 2,-0.1 -4,-0.1 0.535 74.1 28.6 -89.5 -9.3 -5.6 2.4 6.5 74 86 A V S S- 0 0 14 1,-0.1 5,-0.1 -6,-0.1 -2,-0.0 -0.866 107.9 -60.9-139.8 172.0 -3.5 5.1 8.2 75 87 A I >> - 0 0 15 55,-2.5 4,-1.6 -2,-0.3 3,-1.0 -0.122 53.5-109.5 -58.2 154.7 -3.9 7.8 10.9 76 88 A K H 3> S+ 0 0 132 24,-0.3 4,-2.7 1,-0.3 5,-0.2 0.862 115.9 60.2 -60.5 -36.3 -6.5 10.5 10.2 77 89 A A H 3> S+ 0 0 0 22,-2.4 4,-2.7 1,-0.2 -1,-0.3 0.831 105.6 50.0 -61.3 -32.9 -3.9 13.2 9.6 78 90 A W H <> S+ 0 0 0 -3,-1.0 4,-2.5 21,-0.3 5,-0.4 0.897 109.2 48.9 -72.8 -42.7 -2.4 11.2 6.7 79 91 A D H X S+ 0 0 28 -4,-1.6 4,-1.0 1,-0.2 -2,-0.2 0.914 117.1 44.6 -61.7 -41.0 -5.8 10.6 5.1 80 92 A I H < S+ 0 0 48 -4,-2.7 4,-0.3 -5,-0.2 -2,-0.2 0.938 118.4 41.3 -63.8 -49.6 -6.3 14.4 5.4 81 93 A G H >< S+ 0 0 0 -4,-2.7 3,-2.0 -5,-0.2 4,-0.2 0.925 112.0 49.3 -68.9 -51.0 -2.9 15.5 4.3 82 94 A V H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.844 101.7 66.2 -66.2 -31.5 -2.2 13.2 1.3 83 95 A A T 3< S+ 0 0 41 -4,-1.0 -1,-0.3 -5,-0.4 -2,-0.2 0.662 101.7 49.3 -58.9 -21.1 -5.6 14.0 -0.1 84 96 A T T < S+ 0 0 52 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.398 95.5 99.3 -96.4 -2.0 -4.3 17.6 -0.6 85 97 A M < - 0 0 0 -3,-1.8 2,-0.3 -4,-0.2 36,-0.0 -0.541 57.6-147.3 -95.3 155.2 -1.1 16.6 -2.4 86 98 A K > - 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