==== 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 1JNS . 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) . 6300.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 70.7 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 . 18 19.6 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 . 8 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 29.3 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 0 0 0 2 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 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 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 52 0, 0.0 53,-0.1 0, 0.0 91,-0.1 0.000 360.0 360.0 360.0 133.0 -16.6 -1.0 -4.0 2 2 A K + 0 0 165 1,-0.2 52,-2.2 51,-0.1 2,-0.4 0.977 360.0 32.1 -70.0 -60.0 -17.2 0.6 -0.6 3 3 A T E +A 53 0A 39 50,-0.3 2,-0.3 88,-0.2 50,-0.2 -0.852 68.0 166.1-105.2 139.0 -15.1 -1.7 1.7 4 4 A A E -A 52 0A 4 48,-2.1 48,-1.9 -2,-0.4 2,-0.5 -0.986 38.4-114.4-143.3 159.0 -11.8 -3.4 0.7 5 5 A A E +AB 51 89A 10 84,-2.2 84,-2.4 -2,-0.3 2,-0.4 -0.779 45.8 177.0 -94.6 123.7 -8.9 -5.2 2.4 6 6 A A E - B 0 88A 1 44,-1.8 43,-1.1 -2,-0.5 2,-0.4 -0.964 26.9-161.9-137.2 135.0 -5.7 -3.1 1.9 7 7 A L E - B 0 87A 30 80,-1.8 80,-2.2 -2,-0.4 2,-0.4 -0.874 19.7-169.5-109.3 137.1 -2.1 -3.2 2.9 8 8 A H E - B 0 86A 22 38,-1.3 2,-0.5 -2,-0.4 78,-0.2 -0.962 13.7-172.8-130.9 132.4 -0.1 0.0 2.5 9 9 A I E - B 0 85A 4 76,-1.8 76,-2.1 -2,-0.4 2,-0.6 -0.951 9.3-161.4-118.6 129.9 3.6 0.8 2.8 10 10 A L E - B 0 84A 55 -2,-0.5 2,-0.5 74,-0.2 74,-0.2 -0.911 5.3-161.8-110.0 120.4 4.8 4.5 2.7 11 11 A V E - B 0 83A 6 72,-1.8 72,-2.0 -2,-0.6 27,-0.1 -0.860 10.8-156.8-103.9 129.0 8.5 5.1 1.8 12 12 A K S S+ 0 0 196 -2,-0.5 2,-0.4 70,-0.2 -1,-0.1 0.875 81.1 38.5 -68.5 -40.0 10.1 8.4 2.7 13 13 A E S > S- 0 0 98 1,-0.1 4,-1.4 70,-0.1 3,-0.4 -0.920 74.4-135.6-119.8 140.5 12.9 8.2 0.1 14 14 A E H > S+ 0 0 122 -2,-0.4 4,-2.5 1,-0.2 5,-0.3 0.876 100.5 65.4 -60.0 -40.0 12.7 6.8 -3.5 15 15 A K H > S+ 0 0 158 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 103.7 46.3 -54.1 -41.9 16.0 4.8 -3.1 16 16 A L H > S+ 0 0 50 -3,-0.4 4,-3.3 2,-0.2 -1,-0.2 0.919 108.4 56.7 -67.8 -38.6 14.4 2.6 -0.5 17 17 A A H X S+ 0 0 3 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.960 108.4 46.8 -58.7 -45.8 11.3 2.1 -2.6 18 18 A L H X S+ 0 0 112 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.954 112.7 49.9 -60.1 -46.3 13.4 0.8 -5.4 19 19 A D H X S+ 0 0 84 -4,-2.2 4,-3.2 -5,-0.3 -2,-0.2 0.927 111.9 49.4 -60.0 -40.0 15.2 -1.5 -3.0 20 20 A L H X S+ 0 0 0 -4,-3.3 4,-3.9 2,-0.2 5,-0.3 0.965 109.3 50.1 -62.4 -53.5 11.9 -2.7 -1.7 21 21 A L H X S+ 0 0 64 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.969 118.6 39.0 -54.6 -48.6 10.5 -3.4 -5.1 22 22 A E H X S+ 0 0 96 -4,-2.6 4,-3.2 -5,-0.2 5,-0.3 0.917 115.0 54.8 -65.1 -40.5 13.6 -5.4 -6.0 23 23 A Q H X>S+ 0 0 67 -4,-3.2 4,-3.0 -5,-0.3 5,-1.2 0.921 107.7 49.3 -61.5 -40.0 13.6 -6.8 -2.5 24 24 A I H <5S+ 0 0 18 -4,-3.9 -1,-0.2 3,-0.2 -2,-0.2 0.934 113.5 46.7 -67.1 -40.0 10.1 -8.1 -2.9 25 25 A K H <5S+ 0 0 164 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.985 118.2 40.6 -64.5 -54.5 10.9 -9.7 -6.2 26 26 A N H <5S+ 0 0 119 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.914 143.4 6.6 -60.0 -43.4 14.1 -11.3 -4.9 27 27 A G T <5S- 0 0 53 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.1 0.824 88.1-150.6-105.6 -59.4 12.5 -12.3 -1.6 28 28 A A < + 0 0 53 -5,-1.2 -4,-0.1 1,-0.1 -3,-0.1 0.751 37.8 139.2 83.9 104.6 8.8 -11.4 -1.8 29 29 A D > + 0 0 84 2,-0.0 4,-2.4 3,-0.0 5,-0.3 -0.262 16.1 172.7-175.1 70.5 7.1 -10.5 1.5 30 30 A F H > S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.921 82.7 46.8 -60.0 -44.2 4.6 -7.6 1.3 31 31 A G H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.966 117.5 39.9 -64.6 -54.0 3.3 -8.1 4.9 32 32 A K H > S+ 0 0 154 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.925 115.0 52.4 -66.7 -40.1 6.7 -8.4 6.6 33 33 A L H X S+ 0 0 12 -4,-2.4 4,-2.2 1,-0.2 5,-0.4 0.940 109.8 50.0 -61.6 -42.9 8.4 -5.7 4.5 34 34 A A H X S+ 0 0 2 -4,-1.9 4,-2.3 -5,-0.3 5,-0.3 0.935 109.5 50.4 -60.0 -49.2 5.6 -3.2 5.3 35 35 A K H X S+ 0 0 121 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.939 115.5 40.9 -60.0 -47.2 5.8 -3.8 9.1 36 36 A K H < S+ 0 0 159 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.937 120.6 40.6 -67.4 -50.1 9.6 -3.3 9.3 37 37 A H H < S+ 0 0 46 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.880 108.7 58.8 -70.0 -39.9 9.9 -0.4 7.0 38 38 A S H < + 0 0 17 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.2 0.938 65.5 170.5 -60.1 -42.1 6.8 1.5 8.1 39 39 A I < + 0 0 150 -4,-1.2 -1,-0.1 -5,-0.3 -3,-0.1 0.811 40.3 122.6 38.0 31.6 8.1 1.8 11.7 40 40 A C S >> S- 0 0 42 -5,-0.2 3,-3.6 1,-0.1 4,-0.6 -0.787 86.0 -97.5-120.3 166.1 5.2 4.2 12.2 41 41 A P T 34 S+ 0 0 135 0, 0.0 4,-0.3 0, 0.0 3,-0.1 0.777 130.3 45.4 -53.1 -23.1 2.2 4.3 14.5 42 42 A S T 34>S+ 0 0 53 3,-0.2 5,-1.4 1,-0.1 4,-0.5 0.198 84.2 97.6-107.6 21.3 0.3 2.7 11.6 43 43 A G T <>5S+ 0 0 4 -3,-3.6 4,-0.8 3,-0.2 -1,-0.1 0.983 92.4 37.6 -69.4 -51.4 3.0 0.2 10.8 44 44 A K T <5S+ 0 0 163 -4,-0.6 -1,-0.2 2,-0.1 -2,-0.1 0.858 137.6 21.0 -63.0 -40.0 1.1 -2.5 12.8 45 45 A R T >45S+ 0 0 148 -4,-0.3 3,-1.9 2,-0.1 -2,-0.2 0.843 125.5 48.4-102.6 -44.6 -2.3 -1.3 11.6 46 46 A G G >45S+ 0 0 7 -4,-0.5 -38,-1.3 1,-0.3 3,-0.6 0.907 110.2 55.9 -63.8 -33.4 -1.6 0.8 8.4 47 47 A G G 3< -A 3 0A 169 -2,-0.3 3,-0.7 -50,-0.2 4,-0.3 -0.251 43.9-108.2 -66.8 156.6 -14.5 1.9 3.5 54 54 A Q T 3 S+ 0 0 80 -52,-2.2 8,-0.2 1,-0.3 -1,-0.1 0.646 116.9 52.9 -60.7 -11.1 -13.0 3.5 0.3 55 55 A G T 3 S+ 0 0 65 -53,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.443 81.9 91.7-124.1 63.2 -13.1 6.8 2.2 56 56 A Q S < S+ 0 0 103 -3,-0.7 -2,-0.1 2,-0.2 -1,-0.1 0.744 94.7 1.8-113.8 -60.1 -11.2 6.2 5.5 57 57 A M S S+ 0 0 105 -4,-0.3 -3,-0.1 1,-0.3 -2,-0.0 0.815 121.0 5.6-103.6 -77.7 -7.5 6.9 5.3 58 58 A V >> - 0 0 19 1,-0.2 3,-0.9 -4,-0.0 4,-0.6 -0.965 50.4-147.1-122.0 130.6 -6.1 8.3 2.0 59 59 A P H >> S+ 0 0 106 0, 0.0 3,-2.2 0, 0.0 4,-1.2 0.933 96.6 68.6 -57.2 -49.5 -8.0 9.2 -1.1 60 60 A A H 3> S+ 0 0 37 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.851 93.4 62.3 -41.2 -35.3 -5.2 8.1 -3.5 61 61 A F H <> S+ 0 0 4 -3,-0.9 4,-2.2 1,-0.2 5,-0.3 0.907 96.6 56.3 -60.1 -41.3 -6.1 4.6 -2.3 62 62 A D H - 0 0 72 0, 0.0 3,-0.5 0, 0.0 19,-0.2 -0.512 42.1 -95.1 -79.3 148.1 -7.9 -5.0 -10.0 70 70 A V T 3 S+ 0 0 31 1,-0.2 19,-0.2 -2,-0.2 17,-0.0 0.003 112.7 39.6 -54.6 168.4 -7.9 -6.5 -6.5 71 71 A L T 3 S+ 0 0 126 17,-1.8 -1,-0.2 1,-0.1 18,-0.1 0.785 94.3 113.1 58.2 22.3 -5.3 -9.2 -5.8 72 72 A E < - 0 0 95 -3,-0.5 2,-0.2 16,-0.2 -1,-0.1 -0.780 66.7-141.2-130.8 94.3 -3.0 -6.9 -7.8 73 73 A P - 0 0 61 0, 0.0 2,-0.5 0, 0.0 14,-0.2 -0.276 28.3-171.9 -51.1 109.6 -0.1 -5.3 -5.9 74 74 A T E -C 86 0A 32 12,-2.4 12,-2.7 -2,-0.2 3,-0.3 -0.930 25.6 -29.9-115.7 130.0 -0.1 -1.9 -7.5 75 75 A G E - 0 0 31 -2,-0.5 10,-0.2 1,-0.3 2,-0.1 -0.891 33.7-121.5 140.8-171.5 2.7 0.7 -6.7 76 76 A P E - 0 0 29 0, 0.0 -1,-0.3 0, 0.0 9,-0.3 0.437 67.7-170.7 -69.9 138.7 4.7 2.1 -5.4 77 77 A L E -C 84 0A 49 7,-4.0 7,-2.1 -3,-0.3 2,-0.6 -0.447 25.0-102.4 -92.9 172.9 2.3 5.0 -6.1 78 78 A H E +C 83 0A 160 5,-0.2 2,-0.3 -2,-0.1 5,-0.2 -0.831 50.5 151.1 -99.2 126.6 2.9 8.7 -5.6 79 79 A T E > -C 82 0A 16 3,-2.4 3,-1.3 -2,-0.6 0, 0.0 -0.934 56.3-103.7-146.3 165.1 1.3 10.4 -2.6 80 80 A Q T 3 S+ 0 0 174 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.896 118.7 56.9 -59.6 -40.0 2.1 13.4 -0.4 81 81 A F T 3 S- 0 0 141 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.698 126.1 -93.6 -66.4 -15.4 3.4 11.2 2.5 82 82 A G E < S- C 0 79A 15 -3,-1.3 -3,-2.4 -72,-0.0 2,-0.6 -0.999 81.1 -4.8 141.2-135.7 5.9 9.7 0.1 83 83 A Y E -BC 11 78A 64 -72,-2.0 -72,-1.8 -2,-0.4 2,-0.7 -0.817 61.0-158.9 -97.1 125.1 5.6 6.6 -2.1 84 84 A H E -BC 10 77A 23 -7,-2.1 -7,-4.0 -2,-0.6 2,-0.5 -0.838 8.2-174.3-102.7 116.0 2.4 4.5 -1.5 85 85 A I E -B 9 0A 8 -76,-2.1 -76,-1.8 -2,-0.7 2,-0.5 -0.855 13.1-163.6-104.7 128.4 2.4 0.9 -2.5 86 86 A I E -BC 8 74A 2 -12,-2.7 -12,-2.4 -2,-0.5 2,-0.5 -0.936 14.1-161.4-119.0 125.7 -1.0 -0.7 -2.1 87 87 A K E -B 7 0A 55 -80,-2.2 -80,-1.8 -2,-0.5 2,-0.4 -0.838 18.6-150.7-100.0 125.8 -1.9 -4.4 -2.1 88 88 A V E +B 6 0A 0 -2,-0.5 -17,-1.8 -19,-0.2 2,-0.3 -0.824 19.6 171.9-101.4 136.5 -5.6 -5.0 -2.8 89 89 A L E -B 5 0A 36 -84,-2.4 2,-4.3 -2,-0.4 -84,-2.2 -0.999 60.8 -13.6-140.0 147.0 -7.5 -8.0 -1.3 90 90 A Y - 0 0 174 -2,-0.3 -20,-0.1 1,-0.2 -86,-0.1 -0.133 66.6-151.1 62.7 -55.4 -11.2 -9.0 -1.2 91 91 A R 0 0 109 -2,-4.3 -1,-0.2 -86,-0.2 -87,-0.2 0.752 360.0 360.0 60.1 20.0 -12.4 -5.5 -2.3 92 92 A N 0 0 140 -3,-0.3 -1,-0.2 -90,-0.1 -89,-0.2 0.366 360.0 360.0-162.2 360.0 -15.6 -6.3 -0.4