==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 02-APR-00 1EQ3 . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PPIASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.SEKERINA,U.J.RAHFELD,J.MULLER,G.FISCHER,P.BAYER . 96 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 58.3 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 . 21 21.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 9 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 3 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 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 36 A N 0 0 129 0, 0.0 2,-0.2 0, 0.0 95,-0.2 0.000 360.0 360.0 360.0 23.9 -0.0 -18.1 -14.0 2 37 A A - 0 0 8 93,-0.2 2,-0.3 94,-0.2 49,-0.3 -0.761 360.0-138.1-125.9 173.7 -1.7 -14.7 -14.4 3 38 A V E -A 50 0A 4 47,-1.2 47,-1.4 -2,-0.2 2,-0.7 -0.950 15.8-123.2-132.5 154.6 -0.5 -11.1 -14.1 4 39 A K E +AB 49 94A 43 90,-1.3 89,-1.3 -2,-0.3 90,-0.8 -0.844 32.6 180.0-100.0 115.2 -2.1 -7.9 -12.6 5 40 A V E +AB 48 92A 3 43,-1.6 42,-2.1 -2,-0.7 43,-0.7 -0.946 10.3 177.1-120.0 125.5 -2.4 -5.1 -15.1 6 41 A R E +AB 46 91A 93 85,-2.3 85,-2.0 -2,-0.5 2,-0.3 -0.939 20.5 152.7-125.0 109.6 -3.9 -1.6 -14.4 7 42 A H E - B 0 90A 3 38,-2.1 2,-0.4 -2,-0.5 83,-0.2 -0.910 37.6-132.2-135.0 167.0 -3.9 0.9 -17.2 8 43 A I E - B 0 89A 4 81,-1.3 81,-1.5 -2,-0.3 2,-0.5 -0.950 20.5-149.5-118.6 134.0 -5.8 3.9 -18.5 9 44 A L E + B 0 88A 25 -2,-0.4 29,-1.9 79,-0.2 2,-0.3 -0.882 23.5 162.1-107.4 132.2 -6.8 4.1 -22.2 10 45 A C E - B 0 87A 8 77,-1.9 77,-0.9 -2,-0.5 26,-0.1 -0.938 42.2 -90.4-140.3 163.6 -7.1 7.4 -24.1 11 46 A E - 0 0 96 -2,-0.3 2,-0.5 75,-0.3 76,-0.3 -0.323 51.5 -95.6 -72.5 158.3 -7.3 8.5 -27.7 12 47 A K + 0 0 101 72,-0.2 -1,-0.1 1,-0.2 70,-0.0 -0.620 58.6 146.4 -78.4 122.7 -4.0 9.3 -29.6 13 48 A H - 0 0 127 -2,-0.5 -1,-0.2 -3,-0.0 -2,-0.0 0.485 68.4-102.1-129.8 -13.7 -3.1 13.0 -29.5 14 49 A G S > S+ 0 0 44 3,-0.0 3,-0.5 0, 0.0 4,-0.2 0.472 90.1 116.6 102.4 2.9 0.7 13.1 -29.4 15 50 A K T 3> + 0 0 16 1,-0.2 4,-3.3 2,-0.1 5,-0.3 0.231 29.5 121.8 -88.6 18.4 0.8 13.9 -25.6 16 51 A I H 3> S+ 0 0 37 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.927 80.1 45.6 -45.7 -46.8 2.5 10.6 -24.9 17 52 A M H <> S+ 0 0 137 -3,-0.5 4,-1.7 1,-0.2 -1,-0.3 0.886 114.3 48.5 -65.7 -35.3 5.4 12.6 -23.4 18 53 A E H > S+ 0 0 87 -3,-0.3 4,-1.8 -4,-0.2 -2,-0.2 0.809 109.9 52.9 -75.2 -27.5 2.9 14.8 -21.5 19 54 A A H X S+ 0 0 0 -4,-3.3 4,-2.2 2,-0.2 -2,-0.2 0.941 110.4 44.8 -74.2 -46.0 1.0 11.7 -20.3 20 55 A M H X S+ 0 0 84 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.946 116.9 45.4 -64.9 -44.9 4.0 9.9 -18.7 21 56 A E H < S+ 0 0 126 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.936 115.5 46.8 -65.4 -41.3 5.3 13.2 -17.1 22 57 A K H < S+ 0 0 103 -4,-1.8 -1,-0.2 1,-0.2 3,-0.2 0.870 112.7 51.3 -67.4 -31.2 1.8 14.0 -15.8 23 58 A L H <>S+ 0 0 3 -4,-2.2 5,-0.6 1,-0.2 2,-0.3 0.822 74.9 155.7 -73.9 -29.4 1.6 10.4 -14.6 24 59 A K T <5 - 0 0 115 -4,-2.0 -1,-0.2 -5,-0.2 2,-0.2 -0.075 66.9 -28.0 39.5 -92.6 5.0 10.7 -12.8 25 60 A S T > 5S- 0 0 57 -2,-0.3 3,-0.8 -3,-0.2 4,-0.4 -0.487 89.4 -64.4-129.5-158.0 4.2 7.9 -10.3 26 61 A G T 3 5S+ 0 0 56 1,-0.2 4,-0.4 2,-0.2 -2,-0.1 0.552 115.5 85.7 -73.2 -1.9 1.2 6.3 -8.7 27 62 A M T 3 5S+ 0 0 117 1,-0.2 -1,-0.2 -4,-0.2 3,-0.2 0.945 105.4 20.2 -65.0 -46.1 0.6 9.7 -7.0 28 63 A R S <> S+ 0 0 38 -4,-0.4 4,-2.7 1,-0.2 5,-0.2 0.927 85.0 44.4 -50.2 -44.0 -2.3 7.8 -11.5 30 65 A N H > S+ 0 0 123 -4,-0.4 4,-2.9 -3,-0.2 5,-0.3 0.908 112.0 53.0 -68.8 -38.7 -5.9 8.5 -10.6 31 66 A E H > S+ 0 0 108 -4,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.969 117.3 36.1 -61.6 -51.1 -5.6 12.1 -11.8 32 67 A V H X S+ 0 0 9 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.910 117.8 53.5 -69.6 -39.4 -4.3 11.0 -15.3 33 68 A A H X S+ 0 0 13 -4,-2.7 4,-0.7 -5,-0.5 -2,-0.2 0.972 109.7 46.1 -60.5 -53.3 -6.6 7.9 -15.3 34 69 A A H >< S+ 0 0 55 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.945 118.5 42.4 -56.5 -46.7 -9.8 9.8 -14.6 35 70 A Q H 3< S+ 0 0 144 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.823 123.6 39.0 -70.7 -28.0 -8.9 12.4 -17.3 36 71 A Y H 3< S+ 0 0 34 -4,-2.4 2,-1.7 -5,-0.2 -1,-0.2 0.303 84.7 117.8-102.6 9.3 -7.7 9.7 -19.6 37 72 A S << + 0 0 37 -4,-0.7 3,-0.3 -3,-0.7 -27,-0.1 -0.547 20.4 144.8 -79.1 88.2 -10.5 7.2 -18.7 38 73 A E + 0 0 128 -29,-1.9 -1,-0.2 -2,-1.7 4,-0.1 0.326 69.6 53.6-104.3 7.7 -12.2 6.9 -22.1 39 74 A D > + 0 0 12 -30,-0.2 4,-3.0 -3,-0.1 6,-0.3 -0.152 61.9 127.3-132.0 40.5 -13.1 3.2 -21.5 40 75 A K T 4 S+ 0 0 161 -3,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.939 81.1 43.2 -64.9 -44.0 -14.9 3.3 -18.1 41 76 A A T 4 S+ 0 0 111 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.960 124.6 34.3 -67.7 -49.2 -17.9 1.3 -19.5 42 77 A R T 4 S+ 0 0 221 1,-0.1 2,-0.3 -4,-0.1 -2,-0.2 0.862 135.9 16.7 -74.9 -33.1 -15.8 -1.2 -21.4 43 78 A Q < - 0 0 37 -4,-3.0 -1,-0.1 -34,-0.1 4,-0.1 -0.953 58.6-147.3-137.0 157.4 -13.0 -1.2 -18.8 44 79 A G - 0 0 63 -2,-0.3 2,-0.3 2,-0.3 -4,-0.1 0.215 57.3-100.3-107.9 14.9 -12.7 -0.1 -15.2 45 80 A G S S+ 0 0 19 -6,-0.3 -38,-2.1 -12,-0.0 2,-0.4 -0.183 106.5 59.5 95.3 -44.2 -9.0 0.9 -15.5 46 81 A D E -A 6 0A 76 -2,-0.3 -2,-0.3 -40,-0.3 -40,-0.2 -0.952 52.5-175.5-121.3 137.4 -7.8 -2.3 -13.8 47 82 A L E - 0 0 50 -42,-2.1 2,-0.2 -2,-0.4 -41,-0.1 0.548 33.1-148.6-104.3 -9.2 -8.4 -5.9 -15.1 48 83 A G E +A 5 0A 20 -43,-0.7 -43,-1.6 2,-0.1 -1,-0.3 -0.531 58.2 2.9 78.3-144.0 -6.8 -7.6 -12.1 49 84 A W E -A 4 0A 150 -45,-0.2 2,-0.4 -2,-0.2 -45,-0.2 -0.568 63.5-169.4 -80.0 140.3 -5.1 -11.0 -12.7 50 85 A M E -A 3 0A 45 -47,-1.4 -47,-1.2 -2,-0.3 46,-0.1 -0.951 13.4-175.0-131.7 114.6 -5.0 -12.3 -16.3 51 86 A T S S+ 0 0 73 -2,-0.4 -1,-0.1 -49,-0.3 45,-0.0 0.930 90.9 2.0 -74.6 -43.4 -3.8 -15.9 -17.0 52 87 A R S S- 0 0 197 -49,-0.1 -2,-0.1 2,-0.0 12,-0.1 0.803 86.6-151.3-107.6 -62.6 -3.9 -15.6 -20.8 53 88 A G - 0 0 10 1,-0.1 2,-0.2 10,-0.0 3,-0.1 0.648 14.0-175.4 89.6 111.0 -4.9 -12.0 -21.7 54 89 A S + 0 0 112 1,-0.1 -1,-0.1 6,-0.1 3,-0.0 -0.666 39.3 113.6-141.9 86.3 -6.8 -11.4 -25.0 55 90 A M S S- 0 0 91 -2,-0.2 -1,-0.1 2,-0.0 -2,-0.0 0.661 92.0 -39.7-121.7 -37.3 -7.4 -7.7 -25.9 56 91 A V S S- 0 0 84 1,-0.1 -3,-0.0 -3,-0.1 0, 0.0 0.051 72.7 -95.0-154.0 -88.3 -5.3 -7.0 -29.0 57 92 A G S > S+ 0 0 29 -3,-0.0 4,-2.4 0, 0.0 5,-0.2 0.013 106.3 38.0-170.5 -69.5 -1.8 -8.3 -29.5 58 93 A P H > S+ 0 0 89 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.872 114.5 55.9 -71.2 -37.9 1.1 -6.1 -28.6 59 94 A F H > S+ 0 0 12 2,-0.2 4,-1.5 3,-0.1 31,-0.0 0.964 119.8 30.3 -60.9 -50.0 -0.6 -4.7 -25.5 60 95 A Q H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.974 115.6 57.6 -74.5 -55.3 -1.1 -8.2 -24.0 61 96 A E H X S+ 0 0 124 -4,-2.4 4,-0.7 1,-0.3 -2,-0.2 0.900 112.2 44.4 -42.1 -45.6 1.9 -9.9 -25.5 62 97 A A H >X S+ 0 0 46 -4,-2.0 4,-1.0 -5,-0.2 3,-0.6 0.916 107.3 59.1 -68.5 -39.7 4.0 -7.3 -23.7 63 98 A A H 3< S+ 0 0 20 -4,-1.5 3,-0.4 -5,-0.3 -2,-0.2 0.915 115.0 35.7 -56.0 -41.4 2.0 -7.6 -20.5 64 99 A F H 3< S+ 0 0 62 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.538 123.0 46.8 -89.5 -5.5 3.0 -11.3 -20.4 65 100 A A H << S+ 0 0 66 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.290 75.7 143.2-116.4 8.7 6.4 -10.6 -21.8 66 101 A L < - 0 0 37 -4,-1.0 -3,-0.1 -3,-0.4 -4,-0.0 -0.282 54.3-118.9 -52.8 127.5 7.3 -7.6 -19.5 67 102 A P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.315 8.6-138.8 -67.6 149.8 11.0 -7.9 -18.7 68 103 A V S S+ 0 0 126 1,-0.1 2,-0.6 6,-0.0 -2,-0.1 0.610 86.7 70.2 -87.4 -10.5 12.0 -8.2 -15.0 69 104 A S + 0 0 96 4,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.893 63.0 120.5-111.5 112.5 14.9 -5.8 -15.3 70 105 A G - 0 0 31 -2,-0.6 3,-0.3 1,-0.1 0, 0.0 -0.903 57.5-134.8-167.8 136.1 14.0 -2.1 -15.8 71 106 A M S S+ 0 0 189 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.917 113.3 11.3 -62.6 -40.4 14.6 1.2 -14.0 72 107 A D S > S+ 0 0 46 6,-0.2 4,-0.6 1,-0.1 6,-0.5 0.061 108.2 91.3-125.1 25.4 11.0 2.2 -14.4 73 108 A K T 4 + 0 0 69 -3,-0.3 19,-0.2 1,-0.2 -2,-0.1 0.682 68.1 73.6 -94.0 -18.5 9.5 -1.1 -15.7 74 109 A P T 4 S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.455 116.6 18.5 -75.3 4.2 8.4 -2.5 -12.3 75 110 A V T 4 S+ 0 0 60 1,-0.4 17,-1.6 -3,-0.3 2,-0.3 0.450 128.3 16.5-133.3 -77.2 5.6 0.0 -12.3 76 111 A F B < S-C 91 0A 7 -4,-0.6 2,-1.9 15,-0.2 -1,-0.4 -0.820 78.1-109.6-106.6 146.9 4.5 1.7 -15.6 77 112 A T - 0 0 23 13,-1.6 -4,-0.1 -2,-0.3 13,-0.1 -0.486 50.4-137.4 -72.0 86.9 5.5 0.4 -19.1 78 113 A D S S+ 0 0 27 -2,-1.9 -6,-0.2 -6,-0.5 -3,-0.0 -0.849 90.2 31.1-100.1 125.8 7.9 3.2 -19.9 79 114 A P S S- 0 0 103 0, 0.0 -62,-0.0 0, 0.0 -63,-0.0 0.607 104.5-132.1 -75.1 165.5 7.7 4.2 -22.5 80 115 A P - 0 0 17 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.009 28.3 -92.8 -69.4-179.4 4.0 3.5 -22.8 81 116 A V E -D 88 0A 37 7,-1.8 7,-2.1 -3,-0.0 2,-0.5 -0.820 30.7-153.4-103.0 139.3 2.4 1.8 -25.8 82 117 A K E +D 87 0A 125 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.926 23.6 163.7-112.1 123.8 1.1 3.8 -28.8 83 118 A T E > -D 86 0A 22 3,-1.6 3,-1.3 -2,-0.5 -71,-0.1 -0.786 52.5-100.8-130.6 176.1 -1.7 2.2 -31.0 84 119 A K T 3 S+ 0 0 211 1,-0.3 -72,-0.2 -2,-0.2 3,-0.1 0.714 120.4 57.5 -72.0 -16.8 -4.2 3.3 -33.6 85 120 A F T 3 S- 0 0 80 1,-0.4 -1,-0.3 -74,-0.1 2,-0.2 0.199 126.7 -81.6 -98.2 19.4 -7.0 3.2 -30.9 86 121 A G E < - D 0 83A 0 -3,-1.3 -3,-1.6 -75,-0.2 -1,-0.4 -0.557 60.0 -59.7 111.3-179.1 -5.1 5.7 -28.7 87 122 A Y E -BD 10 82A 1 -77,-0.9 -77,-1.9 -76,-0.3 2,-0.4 -0.654 45.1-154.6-101.5 160.4 -2.2 5.4 -26.2 88 123 A H E -BD 9 81A 4 -7,-2.1 -7,-1.8 -2,-0.2 2,-0.6 -0.991 10.7-160.2-138.7 138.2 -2.2 3.2 -23.1 89 124 A I E -B 8 0A 1 -81,-1.5 -81,-1.3 -2,-0.4 2,-0.4 -0.931 18.9-167.5-115.3 111.3 -0.3 3.3 -19.8 90 125 A I E -B 7 0A 11 -2,-0.6 -13,-1.6 -83,-0.2 2,-0.5 -0.795 8.8-158.1-103.2 143.9 -0.3 -0.1 -17.9 91 126 A M E -BC 6 76A 29 -85,-2.0 -85,-2.3 -2,-0.4 2,-0.6 -0.957 7.9-153.8-118.6 119.8 0.8 -0.7 -14.3 92 127 A V E +B 5 0A 13 -17,-1.6 -87,-0.2 -2,-0.5 3,-0.1 -0.814 25.4 162.1 -97.6 121.2 1.8 -4.2 -13.3 93 128 A E E S+ 0 0 112 -89,-1.3 2,-0.3 -2,-0.6 -1,-0.1 0.495 71.2 33.9-110.5 -8.1 1.4 -5.1 -9.6 94 129 A G E -B 4 0A 9 -90,-0.8 -90,-1.3 -46,-0.1 2,-0.3 -0.992 67.4-158.7-144.4 150.0 1.6 -8.9 -10.1 95 130 A R 0 0 161 -2,-0.3 -93,-0.2 -92,-0.2 -92,-0.1 -0.969 360.0 360.0-133.0 149.3 3.6 -11.1 -12.5 96 131 A K 0 0 195 -2,-0.3 -94,-0.2 -95,-0.2 -1,-0.1 0.930 360.0 360.0 -55.0 360.0 3.1 -14.7 -13.7