==== 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 20-JUN-13 4LAX . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.BRACHER,C.KOZANY,A.HAEHLE,P.WILD,M.ZACHARIAS,F.HAUSCH . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 68.4 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 . 85 35.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 16 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 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 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 2 1 1 0 4 0 0 1 2 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 1 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 22 A G 0 0 79 0, 0.0 2,-0.3 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 151.2 49.3 25.5 48.5 2 23 A V E -A 14 0A 99 12,-2.6 12,-2.5 1,-0.0 2,-0.6 -0.707 360.0-118.0 -87.7 136.7 48.9 27.0 51.9 3 24 A D E +A 13 0A 32 -2,-0.3 10,-0.2 10,-0.2 -1,-0.0 -0.679 39.0 167.2 -78.8 118.6 49.9 24.7 54.9 4 25 A I + 0 0 34 8,-2.7 -1,-0.1 -2,-0.6 9,-0.1 0.283 31.2 120.9-117.1 8.4 46.9 24.2 57.1 5 26 A S > - 0 0 0 7,-0.6 3,-2.0 1,-0.1 5,-0.2 -0.580 66.8-130.5 -69.5 134.1 48.0 21.3 59.4 6 27 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.730 110.8 50.5 -57.7 -23.8 47.9 22.4 63.1 7 28 A K T 3 S- 0 0 169 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 0.489 103.1-135.6 -90.9 -4.1 51.5 21.1 63.4 8 29 A Q < + 0 0 125 -3,-2.0 -5,-0.1 1,-0.1 -4,-0.0 0.883 63.0 132.2 52.0 45.8 52.7 23.0 60.3 9 30 A D S S- 0 0 73 3,-0.0 -1,-0.1 0, 0.0 -6,-0.0 0.118 82.2-105.4-109.4 15.1 54.6 20.0 59.0 10 31 A E S S+ 0 0 115 -5,-0.2 3,-0.2 2,-0.2 77,-0.1 0.669 80.8 135.1 65.3 20.8 53.2 20.4 55.4 11 32 A G S S+ 0 0 0 1,-0.2 76,-2.5 75,-0.1 2,-0.4 0.839 72.4 31.3 -65.3 -35.5 50.9 17.4 56.0 12 33 A V E S- B 0 86A 0 74,-0.2 -8,-2.7 2,-0.0 -7,-0.6 -0.959 70.9-177.0-130.7 115.0 47.9 19.2 54.5 13 34 A L E -AB 3 85A 36 72,-2.4 72,-2.9 -2,-0.4 2,-0.4 -0.926 8.7-161.9-113.3 137.3 48.3 21.8 51.8 14 35 A K E -AB 2 84A 19 -12,-2.5 -12,-2.6 -2,-0.4 2,-0.5 -0.968 13.7-174.2-129.9 131.0 45.3 23.7 50.4 15 36 A V E - B 0 83A 72 68,-2.6 68,-2.8 -2,-0.4 2,-0.5 -0.990 22.1-139.9-118.3 121.5 44.7 25.7 47.1 16 37 A I E + B 0 82A 69 -2,-0.5 66,-0.3 66,-0.2 3,-0.1 -0.710 23.1 174.7 -79.8 122.4 41.4 27.6 46.8 17 38 A K E S+ 0 0 113 64,-2.5 2,-0.4 -2,-0.5 65,-0.2 0.814 73.1 17.8 -92.8 -42.5 40.0 27.3 43.2 18 39 A R E S- B 0 81A 122 63,-2.3 63,-2.1 0, 0.0 -1,-0.3 -0.996 81.3-125.2-132.1 130.7 36.6 29.1 43.8 19 40 A E - 0 0 133 -2,-0.4 2,-0.1 61,-0.2 63,-0.0 -0.472 25.7-139.1 -70.4 138.6 35.8 31.4 46.7 20 41 A G - 0 0 22 -2,-0.2 59,-0.3 1,-0.1 2,-0.2 -0.160 20.9 -99.8 -84.1-172.5 32.8 30.5 48.7 21 42 A T - 0 0 104 57,-3.1 57,-0.5 3,-0.1 59,-0.1 -0.712 68.5 -0.1-113.0 158.2 30.1 32.8 50.2 22 43 A G S S- 0 0 60 -2,-0.2 -2,-0.1 1,-0.1 55,-0.1 -0.254 82.5 -79.5 70.0-146.9 29.5 34.3 53.6 23 44 A T S S+ 0 0 114 2,-0.0 -1,-0.1 54,-0.0 2,-0.1 0.592 83.3 100.8-136.5 -27.4 31.4 33.9 56.8 24 45 A E - 0 0 111 -3,-0.1 54,-0.5 54,-0.0 -3,-0.1 -0.428 42.8-169.3 -82.4 146.7 30.6 30.6 58.5 25 46 A M - 0 0 82 52,-0.1 52,-0.1 -2,-0.1 49,-0.1 -0.984 35.3 -93.6-131.6 143.6 32.7 27.4 58.4 26 47 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 50,-0.1 -0.226 42.1-158.4 -60.6 144.6 31.7 24.0 59.6 27 48 A M > - 0 0 60 1,-0.1 3,-2.4 33,-0.1 33,-0.3 -0.754 36.9 -65.2-117.9 164.6 32.7 23.1 63.2 28 49 A I T 3 S+ 0 0 29 1,-0.3 105,-0.4 -2,-0.3 33,-0.2 -0.233 124.2 26.4 -49.9 131.9 33.2 19.7 65.0 29 50 A G T 3 S+ 0 0 0 31,-2.7 -1,-0.3 1,-0.4 102,-0.1 0.076 93.0 125.5 100.0 -23.2 29.8 17.9 65.2 30 51 A D < - 0 0 0 -3,-2.4 30,-2.9 29,-0.1 2,-0.5 -0.403 62.5-124.9 -69.6 142.7 28.4 19.6 62.1 31 52 A R E -CD 59 117A 102 86,-2.3 86,-2.1 28,-0.2 2,-0.3 -0.817 30.7-159.9 -88.0 128.6 27.0 17.5 59.3 32 53 A V E -CD 58 116A 0 26,-3.0 26,-1.7 -2,-0.5 2,-0.4 -0.811 11.1-157.0-116.0 143.1 28.7 18.5 56.0 33 54 A F E +CD 57 115A 49 82,-2.5 81,-2.7 -2,-0.3 82,-1.2 -0.984 29.0 152.6-123.7 119.3 27.6 17.9 52.3 34 55 A V E -CD 56 113A 0 22,-2.9 22,-2.5 -2,-0.4 2,-0.4 -0.848 40.2-136.1-135.7 164.0 30.2 17.8 49.5 35 56 A H E + D 0 112A 22 77,-1.7 77,-2.8 -2,-0.3 2,-0.3 -0.983 35.3 176.1-114.5 141.8 31.2 16.6 46.1 36 57 A Y E - D 0 111A 33 -2,-0.4 13,-2.2 75,-0.2 14,-0.7 -0.958 24.8-160.9-137.6 157.2 34.8 15.3 45.8 37 58 A T E -ED 48 110A 14 73,-1.9 73,-2.6 -2,-0.3 2,-0.4 -0.978 18.8-153.6-130.1 144.1 37.2 13.7 43.3 38 59 A G E +ED 47 109A 0 9,-3.1 8,-2.3 -2,-0.3 9,-1.2 -0.971 13.1 178.9-123.9 135.1 40.4 11.9 44.5 39 60 A W E -ED 45 108A 71 69,-3.2 69,-2.8 -2,-0.4 6,-0.2 -0.944 28.2-122.4-126.7 150.6 43.7 11.3 42.8 40 61 A L E > - D 0 107A 30 4,-2.6 3,-1.6 -2,-0.3 67,-0.2 -0.436 45.4-100.4 -71.5 166.0 47.0 9.7 43.5 41 62 A L T 3 S+ 0 0 112 65,-1.0 66,-0.1 1,-0.3 -1,-0.1 0.826 122.4 58.7 -64.1 -35.5 50.0 12.1 43.2 42 63 A D T 3 S- 0 0 131 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.527 127.4 -96.2 -69.8 -8.2 51.0 10.7 39.7 43 64 A G S < S+ 0 0 49 -3,-1.6 2,-0.5 1,-0.3 -2,-0.1 0.425 72.4 149.2 108.7 0.3 47.4 11.7 38.5 44 65 A T - 0 0 70 1,-0.1 -4,-2.6 -5,-0.0 2,-0.6 -0.569 42.5-138.2 -69.2 114.9 45.5 8.4 38.8 45 66 A K E +E 39 0A 118 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.649 28.5 171.6 -74.4 118.3 41.8 9.1 39.6 46 67 A F E - 0 0 32 -8,-2.3 2,-0.3 -2,-0.6 -7,-0.2 0.703 58.0 -4.6-102.8 -21.9 40.7 6.6 42.3 47 68 A D E -E 38 0A 58 -9,-1.2 -9,-3.1 53,-0.0 -1,-0.3 -0.980 48.4-175.9-167.0 154.8 37.2 7.9 43.2 48 69 A S E > -E 37 0A 10 -2,-0.3 3,-0.6 -11,-0.3 -11,-0.2 -0.931 22.8-150.4-155.9 138.3 34.6 10.6 42.7 49 70 A S G > S+ 0 0 8 -13,-2.2 3,-1.2 -2,-0.3 -12,-0.1 0.670 96.7 72.8 -78.0 -19.3 31.2 11.2 44.3 50 71 A L G 3 S+ 0 0 110 -14,-0.7 -1,-0.2 1,-0.3 -13,-0.1 0.751 89.6 59.9 -65.8 -23.1 30.1 12.9 41.0 51 72 A D G < S+ 0 0 89 -3,-0.6 -1,-0.3 0, 0.0 -2,-0.2 0.632 105.7 62.3 -75.9 -16.1 30.0 9.3 39.5 52 73 A R S < S- 0 0 66 -3,-1.2 -3,-0.0 2,-0.2 3,-0.0 -0.333 95.7 -98.7 -99.9-176.5 27.4 8.5 42.2 53 74 A K S S+ 0 0 103 -2,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.955 87.8 12.4 -68.1 -91.9 23.8 9.8 42.9 54 75 A D S S- 0 0 76 1,-0.2 -2,-0.2 -19,-0.0 2,-0.1 -0.041 91.1 -72.3 -82.9-179.1 23.8 12.4 45.8 55 76 A K - 0 0 93 1,-0.1 2,-0.4 -20,-0.1 -20,-0.2 -0.332 52.1-101.7 -63.8 152.9 26.5 14.4 47.6 56 77 A F E -C 34 0A 70 -22,-2.5 -22,-2.9 -2,-0.1 2,-0.4 -0.673 43.1-164.6 -77.6 132.1 28.9 12.8 50.1 57 78 A S E +C 33 0A 49 -2,-0.4 2,-0.3 -24,-0.2 -24,-0.2 -0.955 16.2 154.3-124.7 138.1 27.7 13.5 53.6 58 79 A F E -C 32 0A 6 -26,-1.7 -26,-3.0 -2,-0.4 2,-0.6 -0.986 43.6-105.1-154.9 164.5 29.6 13.1 57.0 59 80 A D E > -C 31 0A 34 -2,-0.3 3,-1.0 -28,-0.2 5,-0.5 -0.839 45.0-123.4 -94.4 121.6 29.8 14.3 60.6 60 81 A L T 3 S+ 0 0 4 -30,-2.9 -31,-2.7 -2,-0.6 -30,-0.1 -0.347 81.5 4.7 -72.5 139.8 32.9 16.6 61.1 61 82 A G T 3 S+ 0 0 29 -33,-0.2 -1,-0.2 1,-0.1 -33,-0.1 0.680 95.0 107.1 67.8 19.7 35.6 15.9 63.7 62 83 A K S < S- 0 0 95 -3,-1.0 -2,-0.1 -34,-0.0 -1,-0.1 0.203 94.4-107.5-109.5 12.3 34.2 12.6 64.8 63 84 A G S S+ 0 0 61 3,-0.1 -3,-0.1 1,-0.1 4,-0.1 0.742 82.9 124.9 69.1 27.3 36.9 10.5 63.0 64 85 A E S S+ 0 0 115 -5,-0.5 2,-0.2 2,-0.1 -4,-0.1 0.733 72.9 38.5 -83.4 -25.2 34.7 9.2 60.2 65 86 A V S S- 0 0 29 -6,-0.2 5,-0.1 1,-0.1 -2,-0.0 -0.738 103.7 -74.0-120.7 166.9 37.1 10.4 57.5 66 87 A I >> - 0 0 22 -2,-0.2 3,-1.3 1,-0.1 4,-1.3 -0.205 50.0-107.9 -57.8 154.2 40.8 10.7 57.1 67 88 A K H 3> S+ 0 0 109 24,-0.3 4,-2.4 1,-0.3 5,-0.2 0.869 116.1 62.5 -57.7 -42.3 42.5 13.4 59.2 68 89 A A H 3> S+ 0 0 0 22,-2.7 4,-2.2 1,-0.2 -1,-0.3 0.790 103.9 50.2 -50.6 -34.4 43.3 15.6 56.2 69 90 A W H <> S+ 0 0 9 -3,-1.3 4,-2.8 21,-0.3 5,-0.4 0.895 108.0 49.9 -78.1 -42.2 39.5 16.0 55.6 70 91 A D H X S+ 0 0 20 -4,-1.3 4,-1.3 1,-0.2 -2,-0.2 0.955 117.0 43.7 -57.8 -50.8 38.6 16.9 59.2 71 92 A I H < S+ 0 0 18 -4,-2.4 4,-0.2 1,-0.2 -2,-0.2 0.900 119.4 41.8 -57.8 -47.4 41.4 19.5 59.1 72 93 A A H >< S+ 0 0 1 -4,-2.2 3,-1.7 -5,-0.2 4,-0.3 0.912 109.9 52.1 -77.1 -44.9 40.5 20.8 55.6 73 94 A I H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.857 100.7 65.0 -60.4 -34.7 36.7 20.9 55.7 74 95 A A T 3< S+ 0 0 39 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.664 102.9 49.7 -62.1 -15.5 36.9 23.0 58.9 75 96 A T T < S+ 0 0 45 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.3 0.421 93.2 98.6 -99.5 -1.6 38.5 25.8 56.8 76 97 A M < - 0 0 0 -3,-1.7 2,-0.2 -4,-0.3 36,-0.0 -0.659 57.8-147.1 -95.6 146.0 36.0 25.9 53.9 77 98 A K > - 0 0 59 -2,-0.3 3,-2.0 -52,-0.1 36,-0.3 -0.680 42.3 -83.6 -95.4 158.7 33.0 28.3 53.3 78 99 A V T 3 S+ 0 0 45 -54,-0.5 -57,-3.1 -57,-0.5 36,-0.2 -0.413 119.3 23.9 -62.2 131.4 29.8 27.2 51.6 79 100 A G T 3 S+ 0 0 19 34,-3.1 -1,-0.2 1,-0.3 2,-0.1 0.252 93.0 136.8 96.4 -11.3 30.2 27.3 47.8 80 101 A E < - 0 0 2 -3,-2.0 33,-2.1 33,-0.2 2,-0.5 -0.428 37.8-163.5 -72.6 138.8 34.0 27.0 48.0 81 102 A V E +BF 18 112A 10 -63,-2.1 -64,-2.5 31,-0.2 -63,-2.3 -0.998 21.4 165.5-119.2 124.0 35.9 24.6 45.7 82 103 A C E -BF 16 111A 0 29,-2.3 29,-2.6 -2,-0.5 2,-0.5 -0.899 33.0-134.3-134.6 164.3 39.4 23.7 46.8 83 104 A H E -BF 15 110A 55 -68,-2.8 -68,-2.6 -2,-0.3 2,-0.4 -0.983 23.6-166.3-115.0 126.9 42.3 21.3 46.1 84 105 A I E -BF 14 109A 1 25,-2.6 25,-2.4 -2,-0.5 2,-0.5 -0.956 11.4-153.0-117.4 138.9 44.0 19.6 49.1 85 106 A T E -BF 13 108A 39 -72,-2.9 -72,-2.4 -2,-0.4 2,-0.5 -0.950 17.7-164.0-106.9 124.0 47.3 17.7 49.1 86 107 A C E -BF 12 107A 0 21,-3.0 21,-2.6 -2,-0.5 -74,-0.2 -0.941 10.7-142.7-120.4 114.6 47.4 15.1 51.9 87 108 A K > - 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