==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 07-APR-11 3RFY . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE CYP38, CHLORO . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR D.VASUDEVAN,K.SWAMINATHAN . 356 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 59.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 15.7 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 . 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 . 1 0.3 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 . 34 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 1 1 0 0 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 3 0 0 1 1 1 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 . 1 0 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 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 78 A G 0 0 53 0, 0.0 23,-0.2 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0-152.2 -2.6 60.2 68.7 2 79 A G - 0 0 3 21,-3.3 18,-2.1 19,-0.3 2,-0.4 0.000 360.0-131.9 -63.4 166.0 -0.7 58.3 66.0 3 80 A I E -A 19 0A 5 320,-0.4 320,-2.6 21,-0.3 2,-0.3 -0.983 20.7-161.9-134.8 136.5 -1.5 54.9 64.7 4 81 A L E -AB 18 322A 7 14,-4.3 14,-2.2 -2,-0.4 2,-0.5 -0.779 23.6-161.0-124.4 148.7 0.6 51.8 64.0 5 82 A L E +AB 17 321A 9 316,-1.7 315,-2.3 -2,-0.3 316,-1.7 -0.985 28.8 177.9-121.9 122.0 1.1 48.4 62.4 6 83 A V E +AB 16 319A 1 10,-3.4 10,-3.1 -2,-0.5 2,-0.3 -0.909 5.7 173.6-126.2 150.7 3.7 46.1 64.0 7 84 A A E - B 0 318A 7 311,-2.2 311,-3.6 -2,-0.3 8,-0.1 -0.984 25.2-139.3-152.3 164.5 5.1 42.6 63.3 8 85 A N > - 0 0 24 6,-0.4 3,-1.0 -2,-0.3 6,-0.2 -0.982 29.1-133.9-123.9 112.9 7.7 40.1 64.4 9 86 A P T 3 S+ 0 0 12 0, 0.0 184,-0.0 0, 0.0 301,-0.0 -0.261 92.5 33.6 -69.4 175.9 9.2 38.1 61.6 10 87 A V T 3 S+ 0 0 77 1,-0.1 301,-0.0 301,-0.0 300,-0.0 0.110 120.5 61.7 66.8 -24.0 9.7 34.3 61.9 11 88 A I S < S+ 0 0 70 -3,-1.0 3,-0.4 3,-0.1 -3,-0.1 0.105 87.1 152.1-116.9 28.4 6.4 34.9 63.9 12 89 A P + 0 0 45 0, 0.0 3,-0.1 0, 0.0 181,-0.0 0.222 36.4 54.7 -51.7 160.2 4.4 36.4 60.8 13 90 A D S S+ 0 0 68 1,-0.1 2,-0.7 0, 0.0 -6,-0.0 0.182 91.8 85.0 89.7 -15.7 0.7 36.5 59.7 14 91 A V + 0 0 61 -3,-0.4 -6,-0.4 -6,-0.2 2,-0.4 -0.949 60.6 176.3-116.1 110.3 -0.2 38.1 63.0 15 92 A S - 0 0 17 -2,-0.7 2,-0.4 -8,-0.1 -8,-0.2 -0.943 20.0-135.2-118.3 139.0 0.3 41.8 62.6 16 93 A V E -A 6 0A 6 -10,-3.1 -10,-3.4 -2,-0.4 2,-0.7 -0.801 4.3-151.7-101.6 130.0 -0.5 44.2 65.4 17 94 A L E -AC 5 271A 10 254,-2.2 254,-2.7 -2,-0.4 2,-0.5 -0.880 20.7-177.4 -97.2 113.8 -2.4 47.6 65.1 18 95 A I E +AC 4 270A 0 -14,-2.2 -14,-4.3 -2,-0.7 2,-0.3 -0.959 9.0 162.8-116.2 128.4 -1.2 49.9 67.9 19 96 A S E +AC 3 269A 4 250,-1.8 250,-2.8 -2,-0.5 -16,-0.2 -0.989 14.8 87.4-145.5 149.6 -2.7 53.3 68.3 20 97 A G S > S- 0 0 9 -18,-2.1 3,-2.7 -2,-0.3 -18,-0.3 -0.783 79.8 -44.2 149.6 174.8 -3.0 56.0 70.9 21 98 A P T 3 S+ 0 0 119 0, 0.0 -19,-0.3 0, 0.0 -1,-0.1 0.733 124.4 55.0 -39.1 -43.2 -1.5 59.1 72.6 22 99 A P T 3 S+ 0 0 20 0, 0.0 2,-0.6 0, 0.0 246,-0.1 0.693 85.9 98.6 -72.4 -16.0 2.1 57.8 72.7 23 100 A I S < S- 0 0 7 -3,-2.7 -21,-3.3 -21,-0.3 -3,-0.1 -0.647 74.7-129.3 -79.3 117.7 2.2 57.1 69.0 24 101 A K - 0 0 100 -2,-0.6 -21,-0.3 1,-0.2 -4,-0.1 -0.090 42.1 -67.9 -59.7 159.5 3.9 59.9 67.0 25 102 A D > - 0 0 68 -23,-0.1 4,-2.2 1,-0.1 3,-0.2 -0.278 43.4-139.5 -53.8 120.6 2.4 61.6 63.9 26 103 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.904 99.1 49.3 -48.0 -57.5 2.2 59.1 61.0 27 104 A E H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.872 111.2 49.4 -54.5 -42.1 3.3 61.5 58.3 28 105 A A H > S+ 0 0 8 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.900 109.7 53.5 -64.5 -40.8 6.4 62.7 60.3 29 106 A L H X S+ 0 0 38 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.868 109.1 47.1 -60.6 -43.4 7.4 59.1 61.0 30 107 A L H X S+ 0 0 13 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.882 109.4 55.2 -66.5 -40.9 7.3 58.2 57.3 31 108 A R H >< S+ 0 0 15 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.891 109.6 45.0 -60.1 -42.4 9.3 61.3 56.4 32 109 A Y H 3< S+ 0 0 91 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.713 108.8 59.3 -76.2 -16.6 12.1 60.4 58.8 33 110 A A H 3< S+ 0 0 16 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.561 76.9 113.0 -86.9 -9.6 12.0 56.8 57.5 34 111 A L S << S- 0 0 9 -4,-0.7 2,-1.6 -3,-0.7 104,-0.0 -0.447 75.8-124.9 -63.7 136.1 12.8 57.8 54.0 35 112 A P + 0 0 22 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.360 64.4 132.3 -83.8 57.5 16.3 56.5 53.0 36 113 A I - 0 0 16 -2,-1.6 2,-0.4 -4,-0.1 101,-0.0 -0.765 47.1-155.0-108.0 145.1 17.6 59.9 52.0 37 114 A D + 0 0 115 -2,-0.3 2,-0.3 50,-0.1 0, 0.0 -0.712 49.1 121.9-124.0 84.6 21.0 61.5 53.0 38 115 A N > - 0 0 12 -2,-0.4 4,-1.2 1,-0.1 3,-0.4 -0.794 35.0-175.7-147.7 96.9 20.5 65.2 52.8 39 116 A K H > S+ 0 0 148 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.829 81.4 67.1 -60.7 -34.9 21.0 67.3 55.9 40 117 A A H > S+ 0 0 11 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.915 104.9 40.3 -55.0 -46.6 19.9 70.4 54.2 41 118 A I H > S+ 0 0 0 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.781 111.0 57.1 -77.2 -24.8 16.3 69.3 53.8 42 119 A R H X S+ 0 0 50 -4,-1.2 4,-2.8 1,-0.2 -1,-0.2 0.851 104.3 55.2 -70.7 -32.0 16.2 67.7 57.3 43 120 A E H < S+ 0 0 60 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.785 109.7 44.2 -70.0 -29.9 17.1 71.2 58.6 44 121 A V H < S+ 0 0 0 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.817 115.5 51.4 -78.0 -37.5 14.1 72.8 56.8 45 122 A Q H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.889 98.1 64.5 -66.8 -44.9 12.0 69.9 58.1 46 123 A K H X S+ 0 0 109 -4,-2.8 4,-1.6 2,-0.2 3,-0.6 0.953 106.2 41.5 -50.9 -62.5 13.0 70.0 61.8 47 124 A P H 4 S+ 0 0 6 0, 0.0 2,-4.6 0, 0.0 23,-0.1 -0.112 103.8 57.0 -67.3-151.4 11.5 73.4 62.4 48 125 A L H 4 S+ 0 0 0 1,-0.2 4,-0.2 18,-0.1 3,-0.2 -0.176 112.7 52.1 63.1 -53.3 8.1 73.5 60.6 49 126 A E H >< S+ 0 0 29 -2,-4.6 3,-1.8 -4,-1.2 4,-0.4 0.866 99.1 58.2 -78.4 -37.1 7.5 70.4 62.8 50 127 A D T >X S+ 0 0 38 -4,-1.6 4,-1.7 1,-0.3 3,-0.8 0.604 84.9 87.2 -67.0 -9.2 8.5 72.1 66.1 51 128 A I H 3> S+ 0 0 0 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.867 79.4 60.2 -58.7 -33.7 5.7 74.5 65.1 52 129 A T H <4 S+ 0 0 70 -3,-1.8 3,-0.3 1,-0.2 -1,-0.3 0.868 102.6 51.0 -64.6 -30.5 3.4 72.1 66.9 53 130 A D H X4 S+ 0 0 97 -3,-0.8 3,-2.2 -4,-0.4 -1,-0.2 0.895 103.5 60.0 -68.5 -38.0 5.4 72.6 70.2 54 131 A S H >< S+ 0 0 4 -4,-1.7 3,-0.9 1,-0.3 -1,-0.2 0.774 98.7 57.4 -59.8 -27.3 5.0 76.4 69.6 55 132 A L T 3< S+ 0 0 42 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.508 89.2 73.8 -82.6 -4.6 1.2 75.9 69.7 56 133 A K T < S+ 0 0 177 -3,-2.2 2,-0.4 -4,-0.2 -1,-0.2 0.323 81.2 97.2 -85.6 4.7 1.6 74.4 73.2 57 134 A I S < S- 0 0 65 -3,-0.9 2,-0.4 -4,-0.1 5,-0.2 -0.832 78.2-125.5-100.4 135.8 2.2 77.9 74.3 58 135 A A - 0 0 90 -2,-0.4 3,-0.4 3,-0.1 -2,-0.1 -0.628 66.4 -2.8 -80.3 129.2 -0.6 80.0 75.8 59 136 A G S > S- 0 0 36 -2,-0.4 3,-3.3 1,-0.2 4,-0.3 0.093 110.5 -35.6 81.8 166.7 -1.3 83.3 74.2 60 137 A V T 3> S+ 0 0 60 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.565 120.9 78.9 -35.3 -18.4 0.1 85.5 71.4 61 138 A K T 34 S+ 0 0 156 -3,-0.4 -1,-0.3 1,-0.2 3,-0.2 0.718 79.4 66.1 -69.5 -23.0 3.5 84.2 72.5 62 139 A A T X> S+ 0 0 0 -3,-3.3 4,-2.0 1,-0.2 3,-1.1 0.909 100.0 52.8 -64.6 -39.2 2.9 81.0 70.6 63 140 A L H 3> S+ 0 0 12 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.712 99.5 58.7 -68.4 -28.1 3.0 83.0 67.3 64 141 A D H 3< S+ 0 0 65 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.1 0.015 110.6 47.6 -90.7 24.5 6.3 84.7 68.0 65 142 A S H <> S+ 0 0 27 -3,-1.1 4,-2.0 3,-0.1 -2,-0.2 0.472 110.8 45.5-125.2 -47.0 7.6 81.1 68.2 66 143 A V H X S+ 0 0 17 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.882 110.7 55.8 -68.5 -32.5 6.1 79.8 65.1 67 144 A E H X S+ 0 0 67 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.868 109.1 50.2 -60.8 -34.3 7.2 83.0 63.2 68 145 A R H > S+ 0 0 178 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.864 110.6 46.5 -69.5 -43.9 10.6 82.0 64.5 69 146 A N H X S+ 0 0 26 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.908 113.1 50.5 -69.7 -39.9 10.4 78.5 63.2 70 147 A V H X S+ 0 0 3 -4,-2.9 4,-3.2 2,-0.2 5,-0.2 0.905 109.4 47.6 -64.6 -45.4 9.1 79.6 59.9 71 148 A R H X S+ 0 0 128 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.819 113.5 53.3 -64.9 -27.3 11.8 82.2 59.2 72 149 A Q H X S+ 0 0 102 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.961 112.2 40.3 -68.1 -58.9 14.2 79.4 60.3 73 150 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.923 115.7 53.0 -57.4 -47.9 13.0 76.9 57.8 74 151 A S H X S+ 0 0 45 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.886 110.7 46.5 -56.1 -45.9 12.6 79.6 55.1 75 152 A R H < S+ 0 0 197 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.929 110.3 50.2 -61.9 -53.4 16.2 80.7 55.5 76 153 A T H < S+ 0 0 18 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.798 105.1 62.4 -58.4 -26.8 17.7 77.3 55.5 77 154 A L H < S+ 0 0 3 -4,-1.6 2,-2.0 -5,-0.2 -1,-0.2 0.983 79.2 81.3 -64.8 -57.7 15.7 76.6 52.4 78 155 A Q S < S+ 0 0 126 -4,-1.7 -1,-0.2 1,-0.3 -4,-0.0 -0.212 77.8 75.5 -52.9 86.8 17.5 79.4 50.4 79 156 A Q >> + 0 0 97 -2,-2.0 3,-1.4 0, 0.0 4,-0.9 -0.080 57.0 145.9 166.5 29.2 20.1 76.8 50.0 80 157 A G H 3> + 0 0 25 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.439 53.9 78.2 -71.1 8.8 18.0 75.0 47.4 81 158 A K H 3>>S+ 0 0 166 3,-0.2 4,-0.9 2,-0.2 5,-0.8 0.791 96.8 41.0 -88.3 -25.9 21.1 74.0 45.5 82 159 A S H <4>S+ 0 0 55 -3,-1.4 5,-1.4 3,-0.2 -2,-0.2 0.734 120.9 45.1 -88.4 -24.0 22.0 71.1 47.8 83 160 A I H <>S+ 0 0 1 -4,-0.9 5,-0.7 -6,-0.2 4,-0.3 0.950 124.6 34.0 -77.3 -56.0 18.3 70.2 48.0 84 161 A I H X5S+ 0 0 40 -4,-2.3 4,-1.6 3,-0.2 -3,-0.2 1.000 133.2 21.9 -65.6 -72.5 17.8 70.6 44.2 85 162 A V T <5S+ 0 0 87 -4,-0.9 3,-0.6 -5,-0.3 4,-0.3 0.918 119.5 51.3 -62.7 -92.9 21.1 69.4 42.8 86 163 A A T 4> - 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