==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/ISOMERASE INHIBITOR 01-APR-11 3RD9 . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE F, MITOCHONDR . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.COLLIANDRE,H.AHMED-BELKACEM,Y.BESSIN,J.M.PAWLOTSKY,J.F.GUI . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 66.5 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 . 49 29.9 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 1 0 0 1 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 0 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 44 X G 0 0 127 0, 0.0 163,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.9 20.7 13.9 42.1 2 45 X N - 0 0 34 1,-0.1 22,-0.1 20,-0.0 2,-0.0 -0.314 360.0 -98.8 -61.1 141.5 18.8 14.5 38.8 3 46 X P - 0 0 17 0, 0.0 20,-2.5 0, 0.0 2,-0.5 -0.316 26.8-151.2 -62.1 146.5 18.2 11.4 36.7 4 47 X L E +A 22 0A 47 18,-0.2 159,-3.0 16,-0.0 160,-1.5 -0.987 22.6 176.0-112.7 128.0 20.4 10.5 33.8 5 48 X V E -AB 21 162A 0 16,-2.6 16,-2.8 -2,-0.5 2,-0.3 -0.817 13.6-144.1-127.5 166.5 18.7 8.5 31.0 6 49 X Y E -AB 20 161A 47 155,-2.4 155,-1.7 -2,-0.3 2,-0.4 -0.969 9.9-161.6-135.7 150.7 19.7 7.2 27.6 7 50 X L E -AB 19 160A 0 12,-2.3 12,-2.9 -2,-0.3 2,-0.5 -0.996 11.1-156.5-124.6 123.5 18.3 6.6 24.1 8 51 X D E -AB 18 159A 31 151,-3.1 150,-1.7 -2,-0.4 151,-1.2 -0.907 22.1-160.2 -97.1 126.4 20.1 4.3 21.7 9 52 X V E -AB 17 157A 2 8,-2.3 7,-3.3 -2,-0.5 8,-0.9 -0.930 14.2-166.2-122.3 128.7 19.2 5.2 18.2 10 53 X D E -AB 15 156A 32 146,-2.9 146,-1.8 -2,-0.4 2,-0.4 -0.770 7.7-156.1 -97.8 153.3 19.3 3.4 14.9 11 54 X A E > S-AB 14 155A 6 3,-2.5 3,-1.4 -2,-0.3 144,-0.2 -0.988 84.7 -14.9-127.0 123.0 18.9 4.9 11.4 12 55 X N T 3 S- 0 0 93 142,-2.3 143,-0.1 -2,-0.4 -1,-0.1 0.888 131.4 -52.4 46.9 45.3 17.8 2.3 8.8 13 56 X G T 3 S+ 0 0 54 141,-0.5 -1,-0.2 1,-0.2 142,-0.1 0.530 116.8 105.3 77.8 7.7 18.6 -0.5 11.2 14 57 X K E < S-A 11 0A 153 -3,-1.4 -3,-2.5 0, 0.0 -1,-0.2 -0.974 75.0-105.7-122.1 138.5 22.2 0.5 12.0 15 58 X P E -A 10 0A 103 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.338 26.6-177.8 -68.8 133.5 23.3 2.1 15.3 16 59 X L E - 0 0 40 -7,-3.3 2,-0.3 1,-0.4 -6,-0.2 0.636 51.4-111.0 -91.0 -24.8 24.1 5.8 15.4 17 60 X G E -A 9 0A 31 -8,-0.9 -8,-2.3 120,-0.1 2,-0.4 -0.874 44.4 -40.4 124.0-159.1 25.1 5.6 19.1 18 61 X R E -A 8 0A 85 -2,-0.3 2,-0.5 -10,-0.2 119,-0.2 -0.897 29.9-156.6-119.6 135.3 23.7 6.9 22.4 19 62 X V E -A 7 0A 0 -12,-2.9 -12,-2.3 -2,-0.4 2,-0.5 -0.956 16.0-160.0-104.9 123.3 22.1 10.1 23.5 20 63 X V E -AC 6 133A 5 113,-2.7 112,-2.9 -2,-0.5 113,-1.3 -0.916 9.4-166.7-105.8 131.5 22.4 10.7 27.3 21 64 X L E -AC 5 131A 0 -16,-2.8 -16,-2.6 -2,-0.5 2,-0.5 -0.951 16.4-146.1-123.2 133.4 19.9 13.2 28.8 22 65 X E E -AC 4 130A 44 108,-2.6 108,-1.7 -2,-0.4 2,-0.5 -0.888 19.4-147.7 -92.2 129.6 19.9 14.9 32.3 23 66 X L E - C 0 129A 0 -20,-2.5 2,-2.3 -2,-0.5 106,-0.3 -0.879 10.5-135.6-102.6 124.5 16.3 15.4 33.5 24 67 X K >> + 0 0 52 104,-2.8 4,-2.9 -2,-0.5 3,-1.3 -0.401 41.0 157.4 -82.7 66.9 15.8 18.5 35.6 25 68 X A T 34 + 0 0 29 -2,-2.3 -1,-0.2 1,-0.3 8,-0.1 0.725 68.9 65.5 -63.0 -23.9 13.7 16.8 38.3 26 69 X D T 34 S+ 0 0 106 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.809 116.2 26.7 -66.1 -28.5 14.8 19.6 40.7 27 70 X V T <4 S+ 0 0 38 -3,-1.3 -2,-0.2 1,-0.2 -1,-0.1 0.803 140.6 18.5-100.8 -41.1 12.9 22.1 38.5 28 71 X V X + 0 0 0 -4,-2.9 4,-2.8 100,-0.1 5,-0.2 -0.636 67.5 166.5-134.1 69.7 10.1 20.0 36.9 29 72 X P H > S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.859 76.5 48.6 -59.0 -37.9 9.8 16.8 38.9 30 73 X K H > S+ 0 0 130 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.904 115.2 44.0 -71.2 -39.2 6.5 15.6 37.4 31 74 X T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 115.3 48.8 -72.0 -42.7 7.7 16.1 33.8 32 75 X A H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.912 110.0 52.0 -60.6 -44.1 11.1 14.6 34.5 33 76 X E H X S+ 0 0 66 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.896 107.0 53.0 -63.3 -42.2 9.5 11.5 36.2 34 77 X N H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.958 113.1 43.0 -55.6 -51.7 7.2 10.9 33.2 35 78 X F H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.917 112.7 53.6 -64.3 -42.6 10.1 10.9 30.8 36 79 X R H X S+ 0 0 28 -4,-2.8 4,-2.1 1,-0.2 3,-0.2 0.938 111.4 44.4 -56.2 -51.0 12.3 8.8 33.2 37 80 X A H X>S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 5,-0.7 0.827 110.0 55.1 -67.4 -32.8 9.6 6.1 33.5 38 81 X L H <5S+ 0 0 1 -4,-2.0 9,-1.9 -5,-0.2 10,-0.5 0.825 108.3 51.0 -69.8 -28.3 8.9 6.0 29.8 39 82 X C H <5S+ 0 0 3 -4,-1.8 -2,-0.2 -3,-0.2 121,-0.2 0.910 114.8 40.5 -71.4 -44.6 12.6 5.4 29.2 40 83 X T H <5S- 0 0 51 -4,-2.1 -2,-0.2 121,-0.2 -1,-0.2 0.791 97.1-141.3 -73.7 -26.9 12.8 2.5 31.7 41 84 X G T ><5 + 0 0 28 -4,-2.0 3,-2.4 -5,-0.2 -3,-0.2 0.601 51.2 145.4 76.6 13.5 9.4 1.1 30.5 42 85 X E T 3 < + 0 0 101 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.649 63.4 57.2 -65.8 -17.9 8.6 0.2 34.1 43 86 X K T 3 S- 0 0 106 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.449 125.9 -96.7 -88.0 -0.9 4.9 1.0 33.7 44 87 X G S < S+ 0 0 71 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.494 100.7 55.9 99.4 5.9 4.6 -1.5 30.8 45 88 X F + 0 0 56 -8,-0.2 -2,-0.5 -4,-0.1 2,-0.3 -0.962 58.3 112.4-156.5 167.3 4.9 1.0 28.0 46 89 X G S S- 0 0 13 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.992 70.6 -38.8 154.9-160.4 7.3 3.7 26.8 47 90 X Y S > S+ 0 0 0 -9,-1.9 3,-2.5 -2,-0.3 110,-0.2 0.642 80.5 119.1 -80.1 -18.3 9.8 4.7 24.2 48 91 X K T 3 S+ 0 0 131 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.269 88.2 8.8 -55.5 125.5 11.6 1.4 23.4 49 92 X G T 3 S+ 0 0 46 108,-3.0 -1,-0.3 1,-0.3 109,-0.1 0.311 102.9 119.1 90.0 -7.7 11.0 0.6 19.7 50 93 X S < - 0 0 1 -3,-2.5 107,-3.2 107,-0.3 -1,-0.3 -0.214 52.8-121.2 -88.6-179.3 9.5 4.0 18.8 51 94 X T B -D 156 0A 18 14,-0.3 2,-0.9 105,-0.2 13,-0.7 -0.748 16.8-116.6-125.1 159.8 10.7 6.6 16.3 52 95 X F E +E 63 0A 2 103,-2.2 103,-0.5 -2,-0.3 11,-0.3 -0.901 44.0 172.4 -86.6 102.9 11.9 10.1 15.7 53 96 X H E + 0 0 33 -2,-0.9 2,-0.4 9,-0.6 98,-0.3 0.615 59.6 40.8 -94.0 -16.5 9.0 10.9 13.3 54 97 X R E +E 62 0A 99 8,-1.4 8,-3.2 96,-0.1 2,-0.4 -0.951 63.4 165.3-140.1 113.5 9.5 14.6 12.8 55 98 X V E -E 61 0A 0 94,-2.3 91,-2.1 -2,-0.4 94,-0.4 -0.993 10.5-174.5-136.4 123.3 12.9 16.1 12.3 56 99 X I E >> -E 60 0A 27 4,-2.6 3,-1.4 -2,-0.4 4,-1.3 -0.970 28.1-122.5-123.9 112.4 13.6 19.6 10.9 57 100 X P T 34 S+ 0 0 54 0, 0.0 86,-0.1 0, 0.0 82,-0.0 -0.250 96.6 16.6 -55.3 142.1 17.2 20.6 10.2 58 101 X S T 34 S+ 0 0 86 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.726 129.2 54.8 63.0 26.5 18.3 23.8 12.1 59 102 X F T <4 S- 0 0 37 -3,-1.4 56,-2.5 1,-0.1 57,-0.7 0.260 103.2 -53.4-141.9 -78.6 15.3 23.4 14.4 60 103 X M E < -EF 56 114A 2 -4,-1.3 -4,-2.6 54,-0.3 2,-0.5 -0.989 28.8-117.7-167.6 165.7 14.8 20.1 16.3 61 104 X C E -EF 55 113A 0 52,-2.3 52,-2.3 -2,-0.3 2,-0.4 -0.988 32.9-159.9-118.7 121.2 14.3 16.4 16.4 62 105 X Q E +EF 54 112A 17 -8,-3.2 -8,-1.4 -2,-0.5 -9,-0.6 -0.840 22.9 141.6-111.3 139.5 10.9 15.1 17.7 63 106 X A E +EF 52 111A 0 48,-2.6 48,-2.2 -2,-0.4 -11,-0.2 -0.765 24.1 96.6-148.7-171.5 10.0 11.7 19.0 64 107 X G + 0 0 0 -13,-0.7 2,-1.7 46,-0.3 3,-0.1 0.375 42.1 126.9 100.6 -2.0 7.9 9.9 21.7 65 108 X D > + 0 0 1 -14,-0.4 4,-1.2 1,-0.2 -14,-0.3 -0.623 24.2 160.7 -86.0 82.7 4.7 9.0 19.9 66 109 X F T 4 + 0 0 26 -2,-1.7 -1,-0.2 1,-0.2 -20,-0.1 0.439 68.0 48.8 -86.8 0.7 4.9 5.3 20.9 67 110 X T T 4 S+ 0 0 61 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.816 130.1 11.2-102.2 -44.9 1.2 4.6 20.2 68 111 X N T 4 S- 0 0 83 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.504 81.2-144.8-113.4 -11.3 0.6 6.1 16.7 69 112 X H S < S+ 0 0 92 -4,-1.2 -3,-0.1 1,-0.1 -5,-0.0 0.713 80.6 79.4 56.5 26.5 4.2 6.8 15.5 70 113 X N S S- 0 0 95 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.394 110.8 -88.3-144.6 4.0 3.1 10.0 13.6 71 114 X G S S+ 0 0 30 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.1 0.300 108.8 86.5 102.5 -9.2 2.7 12.9 16.0 72 115 X T S S+ 0 0 89 -7,-0.1 2,-0.0 -4,-0.0 -3,-0.0 0.633 87.0 45.6 -93.9 -15.6 -1.0 12.3 17.0 73 116 X G + 0 0 6 -8,-0.0 36,-0.3 2,-0.0 37,-0.3 0.040 49.4 111.7-114.3-149.0 -0.4 9.9 19.9 74 117 X G - 0 0 8 -9,-0.1 2,-0.3 34,-0.1 -9,-0.1 -0.076 38.3-143.0 93.4 158.8 1.6 9.1 23.0 75 118 X K - 0 0 83 33,-0.1 5,-0.2 -2,-0.1 2,-0.1 -0.974 9.9-124.6-152.9 155.5 0.5 9.0 26.6 76 119 X S - 0 0 3 3,-1.9 3,-0.5 -2,-0.3 33,-0.1 -0.456 30.4-109.1 -91.8 172.0 2.0 9.9 30.0 77 120 X I S S+ 0 0 34 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.614 119.2 52.7 -73.4 -11.4 2.4 7.7 33.0 78 121 X Y S S- 0 0 108 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.631 128.5 -63.9 -95.1 -18.5 -0.3 9.8 34.7 79 122 X G S S- 0 0 38 -3,-0.5 -3,-1.9 1,-0.1 -1,-0.4 -0.931 77.8 -48.8 149.1-172.0 -3.0 9.5 32.0 80 123 X S S S+ 0 0 84 -2,-0.3 2,-0.3 -5,-0.2 -4,-0.2 0.927 119.8 5.6 -65.2 -42.4 -3.3 10.6 28.4 81 124 X R - 0 0 92 -6,-0.1 27,-0.2 -3,-0.1 -1,-0.1 -0.938 63.7-163.6-139.2 157.4 -2.2 14.2 29.0 82 125 X F B -I 107 0B 14 25,-2.1 25,-1.7 -2,-0.3 3,-0.1 -0.960 30.0 -87.9-142.6 158.4 -0.9 16.3 31.9 83 126 X P - 0 0 84 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.140 44.7 -93.6 -64.9 159.7 -0.5 20.0 32.7 84 127 X D - 0 0 26 1,-0.2 3,-0.1 -53,-0.0 41,-0.0 -0.623 37.0-157.6 -65.8 117.1 2.4 22.3 31.9 85 128 X E - 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