==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-JUL-01 1JNT . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.KUEHLEWEIN,G.VOLL,B.SCHELBERT,H.KESSLER,G.FISCHER, . 92 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 64.1 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 . 17 18.5 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 1.1 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 . 4 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.2 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 0 0 1 0 0 0 1 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 . 0 1 0 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 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 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 1 A A 0 0 67 0, 0.0 53,-0.3 0, 0.0 91,-0.2 0.000 360.0 360.0 360.0 176.8 -16.8 -1.7 -3.5 2 2 A K - 0 0 157 1,-0.2 52,-0.3 89,-0.2 2,-0.3 0.989 360.0 -16.4 -60.0 -56.4 -18.3 -1.3 -0.1 3 3 A T - 0 0 49 50,-0.1 89,-0.5 51,-0.1 2,-0.4 -0.979 65.1-148.3-146.0 157.4 -15.0 -2.0 1.7 4 4 A A E -A 52 0A 5 48,-2.2 48,-1.9 -2,-0.3 2,-0.5 -0.966 16.3-128.5-129.5 150.0 -11.6 -3.5 0.7 5 5 A A E +AB 51 89A 7 84,-1.2 84,-2.3 -2,-0.4 2,-0.4 -0.795 41.5 177.0 -95.6 121.4 -9.0 -5.5 2.6 6 6 A A E - B 0 88A 2 44,-1.9 43,-1.2 -2,-0.5 2,-0.4 -0.958 31.1-154.9-135.2 136.6 -5.6 -3.8 2.0 7 7 A L E - B 0 87A 41 80,-1.3 80,-2.2 -2,-0.4 2,-0.4 -0.778 27.4-167.7 -99.5 139.7 -2.0 -4.1 3.1 8 8 A H E - B 0 86A 15 38,-1.2 2,-0.5 -2,-0.4 78,-0.2 -0.950 20.6-174.9-134.8 134.0 -0.1 -0.8 2.9 9 9 A I E - B 0 85A 12 76,-2.1 76,-2.1 -2,-0.4 2,-0.6 -0.955 14.7-156.0-120.0 125.3 3.6 0.3 3.0 10 10 A L E - B 0 84A 82 -2,-0.5 2,-0.5 74,-0.2 74,-0.2 -0.846 7.6-161.8-100.0 120.0 4.3 4.1 3.0 11 11 A V E - B 0 83A 2 72,-2.5 72,-2.1 -2,-0.6 3,-0.1 -0.838 13.8-148.6-101.7 131.7 7.8 5.0 1.7 12 12 A K S S+ 0 0 174 -2,-0.5 2,-0.3 70,-0.2 -1,-0.1 0.883 81.7 12.4 -63.8 -40.0 9.1 8.4 2.6 13 13 A E S > S- 0 0 80 1,-0.1 4,-1.9 69,-0.1 3,-0.3 -0.957 74.8-115.1-140.0 156.9 11.2 8.7 -0.6 14 14 A E H > S+ 0 0 105 -2,-0.3 4,-3.9 1,-0.2 5,-0.3 0.893 110.2 65.8 -60.0 -40.0 11.4 6.8 -4.0 15 15 A K H > S+ 0 0 158 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.939 106.2 42.4 -52.3 -43.9 15.0 5.7 -3.2 16 16 A L H > S+ 0 0 62 -3,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.943 112.9 53.6 -68.6 -40.0 13.7 3.5 -0.4 17 17 A A H X S+ 0 0 0 -4,-1.9 4,-3.8 2,-0.2 -2,-0.2 0.935 105.9 53.8 -59.3 -40.0 10.7 2.4 -2.6 18 18 A L H X S+ 0 0 99 -4,-3.9 4,-2.3 2,-0.2 5,-0.3 0.973 110.2 46.2 -59.7 -46.6 13.3 1.4 -5.2 19 19 A D H X S+ 0 0 74 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.925 114.5 49.2 -60.0 -40.0 15.0 -0.7 -2.5 20 20 A L H X S+ 0 0 10 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.929 108.2 53.1 -65.5 -44.2 11.5 -2.0 -1.5 21 21 A L H X S+ 0 0 74 -4,-3.8 4,-1.2 1,-0.2 3,-0.2 0.973 115.4 39.0 -57.9 -53.2 10.6 -2.8 -5.2 22 22 A E H X S+ 0 0 126 -4,-2.3 4,-2.4 -5,-0.2 5,-0.3 0.858 110.7 61.4 -62.5 -40.0 13.8 -5.0 -5.7 23 23 A Q H X>S+ 0 0 67 -4,-2.0 4,-3.4 -5,-0.3 5,-1.0 0.897 100.0 52.7 -60.0 -41.9 13.6 -6.5 -2.2 24 24 A I H <5S+ 0 0 20 -4,-1.8 -1,-0.2 3,-0.3 -2,-0.2 0.964 113.2 42.3 -63.9 -47.6 10.2 -8.1 -2.7 25 25 A K H <5S+ 0 0 182 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.981 121.0 41.9 -62.8 -51.5 11.2 -10.0 -5.9 26 26 A N H <5S+ 0 0 114 -4,-2.4 -2,-0.2 1,-0.0 -1,-0.2 0.910 142.6 7.6 -61.1 -41.3 14.6 -10.9 -4.5 27 27 A G T <5S- 0 0 50 -4,-3.4 -3,-0.3 -5,-0.3 -2,-0.1 0.810 88.9-152.4-105.7 -64.7 13.1 -11.8 -1.1 28 28 A A < + 0 0 56 -5,-1.0 -4,-0.1 1,-0.1 -3,-0.1 0.796 40.5 128.0 89.8 96.6 9.2 -11.6 -1.4 29 29 A D > + 0 0 85 2,-0.1 4,-2.4 3,-0.0 5,-0.2 -0.348 22.0 176.3-178.0 83.0 7.3 -10.8 1.7 30 30 A F H > S+ 0 0 48 2,-0.2 4,-2.0 3,-0.2 5,-0.2 0.937 86.6 45.1 -67.2 -43.7 4.7 -7.9 1.7 31 31 A G H > S+ 0 0 43 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.966 119.0 41.2 -64.9 -51.2 3.5 -8.5 5.2 32 32 A K H > S+ 0 0 134 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.914 112.3 55.3 -66.7 -38.4 7.0 -8.9 6.8 33 33 A L H X S+ 0 0 17 -4,-2.4 4,-2.4 2,-0.2 5,-0.5 0.944 105.8 52.2 -62.1 -40.0 8.4 -6.0 4.6 34 34 A A H X S+ 0 0 3 -4,-2.0 4,-2.0 -5,-0.2 5,-0.4 0.951 110.7 49.1 -60.0 -42.3 5.7 -3.7 6.0 35 35 A K H X S+ 0 0 145 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.907 114.7 44.3 -60.0 -46.3 6.8 -4.7 9.5 36 36 A K H < S+ 0 0 135 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.824 125.8 26.6 -70.0 -40.4 10.5 -4.1 8.8 37 37 A H H < S+ 0 0 55 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.690 103.2 74.2-102.6 -23.8 10.3 -0.8 7.0 38 38 A S H < + 0 0 13 -4,-2.0 -3,-0.1 -5,-0.5 4,-0.1 0.948 54.7 168.2 -59.9 -43.7 7.1 0.9 8.3 39 39 A I < + 0 0 161 -4,-0.6 -1,-0.1 -5,-0.4 -4,-0.1 0.805 43.7 114.5 37.6 29.6 8.8 1.7 11.6 40 40 A C S >> S- 0 0 49 1,-0.1 3,-2.5 0, 0.0 4,-0.5 -0.798 89.3 -99.4-125.2 169.1 5.7 3.9 12.1 41 41 A P T 34 S+ 0 0 132 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.790 127.5 48.8 -59.2 -23.5 2.7 4.0 14.4 42 42 A S T 34>S+ 0 0 60 3,-0.2 5,-0.8 -4,-0.1 4,-0.3 0.120 83.4 97.0-104.8 28.0 0.8 2.3 11.6 43 43 A G T <>5S+ 0 0 10 -3,-2.5 4,-1.6 3,-0.2 -1,-0.1 0.983 93.6 34.0 -75.6 -56.7 3.4 -0.3 11.0 44 44 A K T <5S+ 0 0 191 -4,-0.5 -1,-0.1 2,-0.2 -2,-0.1 0.881 138.5 25.4 -60.4 -39.9 1.6 -3.0 13.0 45 45 A R T >45S+ 0 0 158 -4,-0.4 3,-1.9 2,-0.1 -2,-0.2 0.872 122.4 50.1 -96.3 -44.2 -1.8 -1.5 11.9 46 46 A G G >45S+ 0 0 8 1,-0.3 -38,-1.2 -4,-0.3 3,-0.6 0.902 105.4 60.0 -61.1 -36.7 -1.0 0.1 8.6 47 47 A G G 3< - 0 0 13 1,-0.1 3,-1.2 -4,-0.1 4,-0.4 -0.976 42.1-133.8-154.1 137.7 -6.1 8.6 1.5 59 59 A P T >> S+ 0 0 101 0, 0.0 3,-3.5 0, 0.0 4,-1.0 0.951 101.2 72.4 -58.0 -52.1 -7.9 9.4 -1.8 60 60 A A H 3> S+ 0 0 11 1,-0.3 4,-2.1 2,-0.2 5,-0.3 0.813 86.5 70.8 -35.5 -29.6 -5.0 8.1 -3.9 61 61 A F H <> S+ 0 0 12 -3,-1.2 4,-2.9 1,-0.2 5,-0.3 0.937 93.4 53.1 -58.0 -40.3 -6.4 4.8 -2.7 62 62 A D H <> S+ 0 0 56 -3,-3.5 4,-1.9 -4,-0.4 -1,-0.2 0.917 105.7 55.0 -60.0 -40.6 -9.4 5.4 -4.9 63 63 A K H < S+ 0 0 139 -4,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.961 115.0 36.6 -60.0 -50.5 -7.1 5.9 -7.9 64 64 A V H >X S+ 0 0 1 -4,-2.1 3,-2.3 2,-0.3 4,-1.4 0.970 113.8 54.7 -70.8 -47.2 -5.3 2.5 -7.4 65 65 A V H 3< S+ 0 0 14 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.892 117.1 40.4 -53.2 -30.0 -8.5 0.6 -6.4 66 66 A F T 3< S+ 0 0 131 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.3 0.477 116.4 54.5 -96.3 2.7 -9.8 2.0 -9.7 67 67 A S T <4 S+ 0 0 81 -3,-2.3 -2,-0.2 1,-0.4 -3,-0.2 0.871 119.6 14.7 -94.8 -70.5 -6.4 1.3 -11.3 68 68 A C S < S- 0 0 35 -4,-1.4 -1,-0.4 4,-0.1 4,-0.1 -0.834 84.5-119.6-106.0 142.6 -5.8 -2.4 -10.6 69 69 A P - 0 0 66 0, 0.0 19,-0.2 0, 0.0 3,-0.1 -0.234 44.3 -78.6 -71.1 164.5 -8.6 -4.7 -9.5 70 70 A V S S+ 0 0 24 1,-0.2 19,-0.2 -5,-0.1 20,-0.0 0.031 116.0 48.4 -57.1 170.6 -8.4 -6.6 -6.1 71 71 A L S S+ 0 0 137 17,-2.5 -1,-0.2 -3,-0.1 18,-0.1 0.868 98.4 89.3 60.0 35.2 -6.2 -9.7 -6.0 72 72 A E S S- 0 0 95 16,-0.6 -4,-0.1 -4,-0.1 -1,-0.1 -0.598 73.9-138.9-163.5 93.5 -3.5 -7.6 -7.7 73 73 A P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 14,-0.2 -0.162 24.5-167.8 -53.5 144.2 -0.9 -5.7 -5.7 74 74 A T E -C 86 0A 22 12,-2.3 12,-2.7 -6,-0.1 3,-0.3 -0.997 18.9 -28.2-139.8 143.3 -0.2 -2.2 -7.1 75 75 A G E - 0 0 35 -2,-0.4 10,-0.2 1,-0.3 2,-0.1 -0.798 36.8-121.3 136.6-178.5 2.5 0.4 -6.4 76 76 A P E - 0 0 32 0, 0.0 -1,-0.3 0, 0.0 9,-0.3 0.402 66.6-177.6 -73.6 136.5 4.4 2.1 -5.3 77 77 A L E -C 84 0A 48 7,-2.9 7,-2.1 -3,-0.3 2,-0.4 -0.622 31.3 -96.6-100.4 160.2 2.0 4.8 -6.3 78 78 A H E +C 83 0A 137 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.598 50.1 159.6 -77.3 133.7 2.5 8.6 -6.0 79 79 A T E > -C 82 0A 27 3,-2.2 3,-1.6 -2,-0.4 -21,-0.0 -0.973 51.5-111.3-147.7 158.3 1.0 10.3 -2.9 80 80 A Q T 3 S+ 0 0 188 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.828 117.8 54.6 -60.1 -30.4 1.6 13.6 -1.1 81 81 A F T 3 S- 0 0 145 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.601 129.2 -85.8 -79.9 -10.0 3.0 11.7 2.0 82 82 A G E < S- C 0 79A 12 -3,-1.6 -3,-2.2 2,-0.0 2,-0.4 -0.956 79.8 -22.2 145.8-120.1 5.5 9.9 -0.2 83 83 A Y E -BC 11 78A 49 -72,-2.1 -72,-2.5 -2,-0.4 2,-0.6 -0.983 53.6-154.0-129.8 130.0 4.8 6.6 -2.1 84 84 A H E -BC 10 77A 18 -7,-2.1 -7,-2.9 -2,-0.4 2,-0.5 -0.859 6.6-170.9-103.6 124.5 2.0 4.2 -1.3 85 85 A I E -B 9 0A 9 -76,-2.1 -76,-2.1 -2,-0.6 2,-0.4 -0.879 17.6-174.8-108.6 127.7 2.3 0.5 -2.2 86 86 A I E -BC 8 74A 2 -12,-2.7 -12,-2.3 -2,-0.5 2,-0.5 -0.970 23.5-152.3-130.0 133.8 -1.0 -1.3 -1.6 87 87 A K E -B 7 0A 57 -80,-2.2 -80,-1.3 -2,-0.4 2,-0.5 -0.824 22.6-150.0-100.0 128.9 -2.2 -4.9 -1.8 88 88 A V E +B 6 0A 1 -2,-0.5 -17,-2.5 -19,-0.2 -16,-0.6 -0.869 28.0 149.2-106.1 131.7 -6.0 -5.1 -2.6 89 89 A L E +B 5 0A 51 -84,-2.3 -84,-1.2 -2,-0.5 2,-0.2 -0.728 54.9 12.5-139.3-167.7 -8.2 -8.0 -1.4 90 90 A Y + 0 0 167 -2,-0.2 -86,-0.1 -86,-0.2 -20,-0.1 0.033 61.1 177.9 32.0 -86.7 -11.8 -8.7 -0.3 91 91 A R 0 0 60 1,-0.2 -87,-0.3 -2,-0.2 -89,-0.2 0.938 360.0 360.0 60.1 48.7 -13.2 -5.4 -1.6 92 92 A N 0 0 138 -89,-0.5 -1,-0.2 -91,-0.2 -3,-0.0 -0.975 360.0 360.0 168.6 360.0 -16.8 -6.3 -0.6