==== 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 4LAW . 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 . 469 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 67.4 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 . 163 34.8 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 0.9 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 . 33 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 1 3 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 . 3 4 2 2 0 8 1 0 3 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 2 2 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 21 A E 0 0 108 0, 0.0 2,-0.2 0, 0.0 15,-0.2 0.000 360.0 360.0 360.0 165.2 36.0 -12.6 93.0 2 22 A G - 0 0 35 13,-0.1 14,-0.2 83,-0.1 2,-0.2 -0.617 360.0 -89.1 145.6 159.4 35.2 -12.9 89.3 3 23 A V E -A 15 0A 107 12,-2.1 12,-2.2 -2,-0.2 2,-0.7 -0.618 51.1 -98.3 -90.6 153.9 36.5 -13.3 85.7 4 24 A D E +A 14 0A 30 -2,-0.2 10,-0.2 10,-0.2 -1,-0.1 -0.642 46.1 165.1 -77.7 112.7 37.4 -10.3 83.5 5 25 A I + 0 0 43 8,-1.9 -1,-0.1 -2,-0.7 9,-0.1 0.144 32.8 123.2-114.1 15.8 34.4 -9.4 81.3 6 26 A S > - 0 0 2 7,-0.5 3,-0.9 1,-0.1 5,-0.1 -0.558 63.3-134.4 -75.6 142.5 35.6 -5.9 80.2 7 27 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.846 108.5 50.8 -65.2 -34.2 36.0 -5.3 76.4 8 28 A K T 3 S- 0 0 165 1,-0.0 -2,-0.0 -3,-0.0 -3,-0.0 0.581 105.4-131.5 -77.5 -10.4 39.4 -3.6 77.0 9 29 A Q < + 0 0 128 -3,-0.9 -5,-0.1 1,-0.1 -1,-0.0 0.916 65.9 132.6 52.4 49.8 40.6 -6.7 79.0 10 30 A D S S- 0 0 72 3,-0.0 -1,-0.1 0, 0.0 -6,-0.0 0.148 77.4-109.2-113.8 14.7 41.8 -4.2 81.7 11 31 A E S S+ 0 0 133 2,-0.2 3,-0.1 -5,-0.1 77,-0.1 0.784 80.2 127.7 61.0 33.9 40.3 -6.0 84.8 12 32 A G + 0 0 2 1,-0.3 76,-2.2 75,-0.1 2,-0.4 0.663 69.2 36.3 -96.4 -20.8 37.7 -3.2 85.3 13 33 A V E S- B 0 87A 0 74,-0.2 -8,-1.9 59,-0.0 -7,-0.5 -0.993 71.1-175.6-128.2 124.6 34.5 -5.4 85.4 14 34 A L E -AB 4 86A 36 72,-1.6 72,-2.1 -2,-0.4 2,-0.4 -0.966 8.3-157.4-121.3 140.9 34.8 -8.8 87.1 15 35 A K E +AB 3 85A 20 -12,-2.2 -12,-2.1 -2,-0.4 2,-0.4 -0.974 16.3 178.8-129.2 125.5 31.9 -11.2 87.2 16 36 A V E - B 0 84A 42 68,-3.0 68,-3.0 -2,-0.4 2,-0.5 -0.968 25.3-137.8-109.3 137.0 30.9 -14.2 89.4 17 37 A I E + B 0 83A 69 -2,-0.4 66,-0.2 66,-0.2 3,-0.2 -0.839 22.5 176.7 -90.1 131.0 27.7 -16.1 88.7 18 38 A K E S+ 0 0 131 64,-2.7 2,-0.4 -2,-0.5 65,-0.2 0.827 75.1 15.0 -95.9 -44.2 25.8 -16.9 91.9 19 39 A R E S- B 0 82A 126 63,-2.0 63,-1.8 0, 0.0 -1,-0.4 -0.993 80.9-126.4-136.1 123.3 22.7 -18.5 90.3 20 40 A E - 0 0 130 -2,-0.4 2,-0.1 61,-0.2 63,-0.0 -0.443 26.4-142.2 -65.8 138.1 22.6 -19.7 86.7 21 41 A G - 0 0 15 -2,-0.1 2,-0.2 1,-0.1 59,-0.2 -0.136 19.3-102.9 -86.3-168.8 19.6 -18.2 84.7 22 42 A T S S+ 0 0 104 57,-2.2 57,-0.3 3,-0.1 59,-0.1 -0.710 70.7 14.8-117.7 166.6 17.5 -20.0 82.1 23 43 A G S S- 0 0 58 -2,-0.2 -2,-0.1 1,-0.1 55,-0.0 -0.143 80.5 -94.3 66.8-164.9 17.3 -20.1 78.3 24 44 A T S S+ 0 0 119 2,-0.0 -1,-0.1 54,-0.0 2,-0.0 0.654 81.7 105.4-121.8 -29.0 20.0 -18.6 76.0 25 45 A E - 0 0 104 53,-0.0 54,-0.6 1,-0.0 -3,-0.1 -0.277 43.6-173.4 -64.1 138.3 18.9 -15.0 75.1 26 46 A M - 0 0 83 52,-0.1 52,-0.2 49,-0.1 49,-0.1 -0.888 36.7 -79.8-126.7 157.6 20.7 -12.1 76.7 27 47 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 50,-0.1 -0.284 43.8-161.7 -60.7 142.8 19.9 -8.3 76.6 28 48 A M > - 0 0 65 1,-0.1 3,-1.3 33,-0.0 33,-0.3 -0.678 38.4 -69.7-111.0 171.8 21.0 -6.4 73.5 29 49 A I T 3 S+ 0 0 32 -2,-0.2 105,-0.3 1,-0.2 33,-0.2 -0.423 121.2 24.0 -61.0 133.1 21.4 -2.6 73.0 30 50 A G T 3 S+ 0 0 2 31,-2.7 -1,-0.2 1,-0.4 91,-0.2 0.010 92.5 123.9 99.3 -27.7 18.0 -0.8 73.0 31 51 A D < - 0 0 1 -3,-1.3 30,-2.2 30,-0.1 2,-0.6 -0.282 64.4-121.7 -66.9 150.8 16.2 -3.5 75.0 32 52 A R E -CD 60 118A 91 86,-2.5 86,-1.8 28,-0.2 2,-0.3 -0.875 31.2-162.2 -98.1 117.6 14.5 -2.5 78.3 33 53 A V E -CD 59 117A 0 26,-2.3 26,-1.4 -2,-0.6 2,-0.5 -0.773 10.1-153.5-104.5 146.9 15.9 -4.5 81.2 34 54 A F E +CD 58 116A 38 82,-2.5 81,-3.0 -2,-0.3 82,-1.0 -0.978 27.5 164.3-121.4 116.4 14.3 -5.0 84.7 35 55 A V E -CD 57 114A 0 22,-3.4 22,-1.7 -2,-0.5 2,-0.4 -0.876 32.9-147.0-130.0 157.6 16.7 -5.7 87.6 36 56 A H E + D 0 113A 28 77,-1.6 77,-3.0 -2,-0.3 2,-0.3 -0.976 34.7 168.6-115.7 141.7 17.0 -5.8 91.3 37 57 A Y E - D 0 112A 17 -2,-0.4 13,-2.0 75,-0.2 14,-0.6 -0.923 28.8-161.6-146.2 166.1 20.3 -4.8 92.9 38 58 A T E -ED 49 111A 14 73,-1.7 73,-2.1 -2,-0.3 2,-0.4 -0.957 17.1-150.3-146.2 143.1 22.4 -3.9 95.9 39 59 A G E -ED 48 110A 0 9,-2.8 8,-2.8 -2,-0.3 9,-1.0 -0.967 13.3-177.4-120.0 132.1 25.7 -2.1 96.0 40 60 A W E -ED 46 109A 71 69,-3.0 69,-2.3 -2,-0.4 6,-0.2 -0.897 21.1-128.9-120.4 154.1 28.5 -2.4 98.6 41 61 A L > - 0 0 29 4,-2.0 3,-2.0 -2,-0.3 67,-0.1 -0.440 41.8 -96.6 -83.7 170.0 31.9 -0.8 99.1 42 62 A L T 3 S+ 0 0 123 65,-0.4 66,-0.1 1,-0.3 -1,-0.1 0.532 126.0 59.5 -66.0 -6.7 35.1 -2.8 99.6 43 63 A D T 3 S- 0 0 118 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.350 122.7-104.7-100.9 3.7 34.6 -2.3 103.4 44 64 A G S < S+ 0 0 53 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.289 70.5 146.4 96.8 -8.1 31.2 -4.0 103.2 45 65 A T - 0 0 71 -5,-0.1 -4,-2.0 1,-0.1 2,-0.4 -0.463 47.9-132.5 -71.6 122.2 29.0 -0.9 103.5 46 66 A K E +E 40 0A 121 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.613 30.9 171.7 -67.2 125.4 25.7 -1.0 101.6 47 67 A F E + 0 0 26 -8,-2.8 2,-0.3 1,-0.4 -1,-0.2 0.668 60.1 3.3-111.1 -25.4 25.5 2.3 99.7 48 68 A D E +E 39 0A 59 -9,-1.0 -9,-2.8 53,-0.1 -1,-0.4 -0.983 60.5 170.1-158.5 149.7 22.5 1.8 97.4 49 69 A S E -E 38 0A 8 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.0 -0.989 30.4-151.6-158.7 159.5 19.7 -0.7 96.8 50 70 A S S > S+ 0 0 0 -13,-2.0 3,-1.2 -2,-0.3 5,-0.2 0.510 82.4 84.6-104.2 -11.1 16.4 -1.3 94.9 51 71 A L T 3 S+ 0 0 111 -14,-0.6 -1,-0.1 1,-0.3 -13,-0.1 0.640 82.5 60.1 -74.0 -16.1 15.0 -3.9 97.3 52 72 A D T 3 S+ 0 0 118 -3,-0.0 -1,-0.3 3,-0.0 2,-0.2 0.713 95.9 84.6 -72.6 -24.3 13.6 -1.3 99.7 53 73 A R S < S- 0 0 97 -3,-1.2 4,-0.1 2,-0.2 -3,-0.0 -0.565 82.5-131.9 -88.2 144.6 11.5 -0.1 96.8 54 74 A K S S+ 0 0 193 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.623 87.3 51.0 -67.5 -15.1 8.2 -1.6 95.7 55 75 A D S S- 0 0 104 -5,-0.2 2,-0.2 1,-0.0 -2,-0.2 -0.804 86.0-101.8-126.4 162.2 9.3 -1.8 92.1 56 76 A K - 0 0 83 -2,-0.3 2,-0.4 -20,-0.1 -20,-0.2 -0.582 36.6-112.4 -80.2 143.8 12.2 -3.1 89.9 57 77 A F E +C 35 0A 64 -22,-1.7 -22,-3.4 -2,-0.2 2,-0.3 -0.623 43.2 179.4 -70.7 128.6 14.9 -0.8 88.5 58 78 A S E +C 34 0A 50 -2,-0.4 2,-0.3 -24,-0.2 -24,-0.2 -0.970 10.9 148.8-136.2 152.0 14.6 -0.6 84.7 59 79 A F E -C 33 0A 7 -26,-1.4 -26,-2.3 -2,-0.3 2,-0.4 -0.969 48.8 -84.2-168.2 164.6 16.5 1.2 81.9 60 80 A D E > > -C 32 0A 31 -2,-0.3 3,-0.8 -28,-0.2 5,-0.6 -0.714 45.6-124.9 -83.5 131.0 17.6 0.9 78.3 61 81 A L T 3 5S+ 0 0 6 -30,-2.2 -31,-2.7 -2,-0.4 -30,-0.1 -0.586 86.9 11.0 -77.0 132.4 20.8 -1.1 77.8 62 82 A G T 3 5S+ 0 0 38 -2,-0.3 -1,-0.2 -33,-0.2 -33,-0.1 0.364 96.8 100.1 90.0 -3.4 23.6 0.6 75.9 63 83 A K T < 5S- 0 0 105 -3,-0.8 -2,-0.1 8,-0.0 -3,-0.0 0.267 96.7-110.3 -98.6 8.2 22.2 4.1 75.9 64 84 A G T 5S+ 0 0 57 -4,-0.1 -3,-0.1 3,-0.1 4,-0.1 0.776 78.4 129.7 70.4 31.1 24.3 5.2 78.8 65 85 A E S > - 0 0 26 -2,-0.2 4,-1.5 1,-0.1 3,-0.8 -0.289 50.3-107.5 -65.0 156.7 27.3 3.3 84.7 68 88 A K H 3> S+ 0 0 120 24,-0.3 4,-2.0 1,-0.2 5,-0.2 0.844 116.4 57.9 -56.4 -38.2 29.6 1.7 82.1 69 89 A A H 3> S+ 0 0 0 22,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.813 105.4 51.2 -66.0 -31.7 30.2 -1.5 84.1 70 90 A W H <> S+ 0 0 10 -3,-0.8 4,-2.2 21,-0.3 5,-0.3 0.868 106.4 52.6 -69.9 -43.5 26.4 -2.2 84.3 71 91 A D H X S+ 0 0 15 -4,-1.5 4,-1.1 1,-0.2 -2,-0.2 0.932 116.1 42.4 -55.9 -46.3 26.0 -1.8 80.5 72 92 A I H < S+ 0 0 18 -4,-2.0 4,-0.2 2,-0.2 -2,-0.2 0.920 116.8 44.9 -65.6 -49.4 28.8 -4.4 80.1 73 93 A A H >< S+ 0 0 1 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.916 109.7 51.9 -68.5 -44.9 27.8 -6.9 82.8 74 94 A I H >< S+ 0 0 1 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.834 99.0 64.3 -67.2 -32.1 24.1 -7.1 82.1 75 95 A A T 3< S+ 0 0 38 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.603 102.6 52.9 -64.2 -9.9 24.7 -7.8 78.3 76 96 A T T < S+ 0 0 46 -3,-1.7 -1,-0.3 -4,-0.2 2,-0.3 0.422 94.5 98.0-101.6 0.8 26.3 -11.0 79.6 77 97 A M < - 0 0 0 -3,-1.9 2,-0.3 -4,-0.2 36,-0.0 -0.631 58.9-148.0 -98.2 146.4 23.3 -12.1 81.8 78 98 A K > - 0 0 64 -2,-0.3 3,-1.8 -52,-0.2 36,-0.3 -0.745 44.3 -81.6 -99.1 154.6 20.5 -14.5 81.1 79 99 A V T 3 S+ 0 0 50 -54,-0.6 -57,-2.2 -57,-0.3 36,-0.2 -0.336 119.0 21.8 -54.0 131.1 17.0 -14.0 82.6 80 100 A G T 3 S+ 0 0 21 34,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.486 92.1 137.4 85.0 5.1 16.8 -15.2 86.2 81 101 A E < - 0 0 3 -3,-1.8 33,-2.1 33,-0.3 2,-0.5 -0.667 38.4-162.1 -85.6 135.4 20.6 -14.9 86.6 82 102 A V E +BF 19 113A 13 -63,-1.8 -64,-2.7 -2,-0.3 -63,-2.0 -0.990 21.7 170.6-113.7 124.6 22.0 -13.5 89.9 83 103 A C E -BF 17 112A 0 29,-2.2 29,-2.0 -2,-0.5 2,-0.5 -0.874 31.1-133.5-130.5 159.4 25.6 -12.3 89.5 84 104 A H E -BF 16 111A 40 -68,-3.0 -68,-3.0 -2,-0.3 2,-0.4 -0.976 24.2-171.2-111.5 131.4 28.2 -10.4 91.4 85 105 A I E -BF 15 110A 1 25,-2.5 25,-2.4 -2,-0.5 2,-0.5 -0.991 13.4-153.3-124.7 131.6 30.3 -7.8 89.6 86 106 A T E -BF 14 109A 25 -72,-2.1 -72,-1.6 -2,-0.4 2,-0.6 -0.917 17.2-162.2-104.0 122.3 33.3 -5.9 90.8 87 107 A C E -BF 13 108A 0 21,-3.7 21,-2.8 -2,-0.5 -74,-0.2 -0.903 10.1-143.7-116.8 111.9 33.7 -2.4 89.1 88 108 A K > - 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