==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 06-APR-09 2WFI . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE G; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.M.STEGMANN,G.M.SHELDRICK,M.C.WAHL . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 61.6 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 . 53 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 1.7 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-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 . 13 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 12.2 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+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 1 0 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 . 4 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 6 A Q 0 0 228 0, 0.0 24,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.4 2.7 -26.8 -11.2 2 7 A R - 0 0 92 1,-0.1 22,-0.1 22,-0.1 2,-0.0 -0.609 360.0-119.0 -78.3 138.9 5.0 -23.7 -11.7 3 8 A P - 0 0 25 0, 0.0 20,-2.5 0, 0.0 2,-0.4 -0.331 19.2-146.9 -70.9 157.4 3.3 -20.6 -13.0 4 9 A R E -A 22 0A 105 18,-0.2 168,-2.7 -2,-0.0 2,-0.3 -0.989 16.8-177.2-125.5 132.2 4.2 -19.0 -16.3 5 10 A C E -AB 21 171A 0 16,-2.1 16,-2.9 -2,-0.4 2,-0.3 -0.850 6.6-153.9-125.1 161.6 4.0 -15.2 -16.8 6 11 A F E -AB 20 170A 26 164,-2.5 164,-1.8 -2,-0.3 2,-0.4 -0.977 12.7-160.0-138.8 155.7 4.6 -13.0 -19.8 7 12 A F E -AB 19 169A 0 12,-2.4 12,-2.8 -2,-0.3 2,-0.6 -0.999 12.4-151.1-125.1 133.5 5.6 -9.6 -21.0 8 13 A D E -AB 18 168A 29 160,-3.0 159,-2.2 -2,-0.4 160,-1.1 -0.933 27.8-153.2 -96.1 124.5 4.8 -8.1 -24.4 9 14 A I E -AB 17 166A 1 8,-2.7 7,-3.1 -2,-0.6 8,-1.0 -0.784 18.3-172.5-106.4 142.4 7.6 -5.7 -25.1 10 15 A A E -AB 15 165A 0 155,-2.5 155,-2.6 -2,-0.4 2,-0.5 -0.973 10.4-156.0-125.6 146.3 7.8 -2.6 -27.3 11 16 A I E > S-AB 14 164A 15 3,-2.5 3,-1.5 -2,-0.4 153,-0.2 -0.978 86.2 -15.1-121.5 112.8 10.9 -0.6 -28.1 12 17 A N T 3 S- 0 0 105 151,-2.7 -1,-0.2 -2,-0.5 152,-0.1 0.930 130.1 -55.4 50.5 49.1 10.1 3.0 -29.0 13 18 A N T 3 S+ 0 0 110 150,-0.4 -1,-0.2 1,-0.2 151,-0.1 0.508 114.1 119.0 68.2 9.4 6.5 1.9 -29.5 14 19 A Q E < S-A 11 0A 141 -3,-1.5 -3,-2.5 2,-0.0 -1,-0.2 -0.914 72.2-113.4-105.8 119.0 7.5 -0.8 -32.0 15 20 A P E +A 10 0A 102 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.257 33.4 179.0 -55.4 134.2 6.5 -4.3 -30.9 16 21 A A E - 0 0 25 -7,-3.1 2,-0.2 1,-0.3 -6,-0.2 0.503 45.9 -97.6-111.1 -16.1 9.5 -6.5 -30.2 17 22 A G E -A 9 0A 32 -8,-1.0 -8,-2.7 128,-0.1 2,-0.4 -0.575 42.7 -58.3 122.9 179.8 7.9 -9.7 -29.1 18 23 A R E -A 8 0A 101 -10,-0.2 2,-0.5 -2,-0.2 -10,-0.2 -0.830 30.4-157.5-107.9 136.6 6.9 -11.7 -26.0 19 24 A V E -A 7 0A 3 -12,-2.8 -12,-2.4 -2,-0.4 2,-0.4 -0.953 12.6-162.9-107.6 129.3 9.0 -12.9 -23.1 20 25 A V E -AC 6 141A 10 121,-2.3 120,-3.1 -2,-0.5 121,-1.3 -0.951 4.7-164.4-114.7 135.4 7.7 -15.8 -21.1 21 26 A F E -AC 5 139A 0 -16,-2.9 -16,-2.1 -2,-0.4 2,-0.4 -0.920 14.3-146.6-115.5 143.6 9.0 -16.8 -17.7 22 27 A E E -AC 4 138A 52 116,-2.8 116,-2.1 -2,-0.4 2,-0.5 -0.924 22.3-143.9-100.0 135.4 8.6 -19.9 -15.6 23 28 A L E - C 0 137A 0 -20,-2.5 2,-2.1 -2,-0.4 114,-0.3 -0.872 9.4-135.3-105.6 131.3 8.5 -19.0 -11.8 24 29 A F >> + 0 0 16 112,-2.9 4,-2.7 -2,-0.5 3,-1.8 -0.442 39.0 160.6 -83.6 69.4 10.1 -21.4 -9.3 25 30 A S T 34 + 0 0 36 -2,-2.1 -1,-0.2 1,-0.3 8,-0.1 0.705 69.4 63.4 -68.3 -20.7 7.2 -21.3 -6.9 26 31 A D T 34 S+ 0 0 92 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.628 114.9 31.0 -71.1 -20.3 8.5 -24.5 -5.3 27 32 A V T <4 S+ 0 0 46 -3,-1.8 -2,-0.2 109,-0.1 -1,-0.1 0.751 137.3 17.3-101.6 -44.5 11.7 -22.7 -4.2 28 33 A C X + 0 0 0 -4,-2.7 4,-2.8 108,-0.2 5,-0.2 -0.567 67.4 163.8-134.3 68.5 10.6 -19.1 -3.6 29 34 A P H > S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.864 76.5 47.1 -66.7 -38.3 6.8 -19.1 -3.2 30 35 A K H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.898 115.5 46.9 -68.6 -38.0 6.5 -15.6 -1.7 31 36 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 113.2 48.5 -67.2 -43.7 8.8 -14.1 -4.2 32 37 A C H X S+ 0 0 3 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.902 108.5 53.4 -64.2 -40.2 7.0 -15.8 -7.1 33 38 A E H X S+ 0 0 70 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.896 107.5 52.1 -64.5 -38.9 3.6 -14.8 -5.9 34 39 A N H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.958 113.2 43.3 -57.4 -52.5 4.7 -11.1 -5.8 35 40 A F H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.924 113.2 52.0 -62.3 -44.8 6.0 -11.2 -9.4 36 41 A R H X S+ 0 0 27 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.931 111.7 46.7 -55.9 -47.3 2.9 -13.1 -10.6 37 42 A C H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.5 0.832 107.7 55.6 -67.9 -31.9 0.6 -10.6 -9.1 38 43 A L H < S+ 0 0 0 -4,-2.1 17,-2.6 1,-0.2 18,-0.4 0.825 107.5 51.8 -68.1 -28.1 2.6 -7.7 -10.5 39 44 A C H < S+ 0 0 0 -4,-1.9 -2,-0.2 15,-0.2 -1,-0.2 0.888 118.5 35.0 -70.2 -39.6 2.1 -9.3 -13.9 40 45 A T H < S- 0 0 44 -4,-1.8 -2,-0.2 130,-0.2 -1,-0.2 0.713 94.0-138.3 -86.1 -23.3 -1.7 -9.5 -13.4 41 46 A G >< + 0 0 18 -4,-2.3 3,-1.7 12,-0.2 12,-0.2 0.520 57.8 137.8 77.9 6.7 -2.2 -6.3 -11.4 42 47 A E T 3 + 0 0 103 -5,-0.5 -4,-0.1 1,-0.3 12,-0.1 0.576 55.3 64.2 -70.2 -16.0 -4.7 -8.3 -9.2 43 48 A K T 3 S- 0 0 110 -6,-0.4 2,-0.4 10,-0.4 -1,-0.3 0.415 91.6-148.8 -91.3 1.9 -3.5 -6.9 -5.8 44 49 A G < + 0 0 37 -3,-1.7 9,-3.0 9,-0.2 2,-0.4 -0.578 51.1 14.6 85.9-129.2 -4.6 -3.3 -6.6 45 50 A T B S-I 52 0B 82 -2,-0.4 2,-0.1 7,-0.2 5,-0.0 -0.776 72.5-114.3-102.7 133.5 -2.8 -0.3 -5.2 46 51 A G > - 0 0 0 5,-3.2 4,-1.7 -2,-0.4 39,-0.1 -0.370 22.9-135.9 -65.1 137.2 0.6 -0.2 -3.5 47 52 A K T 4 S+ 0 0 139 37,-0.3 -1,-0.1 2,-0.2 38,-0.1 0.956 97.3 23.0 -63.3 -54.1 0.4 0.8 0.1 48 53 A S T 4 S+ 0 0 86 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.868 129.8 43.3 -82.1 -35.1 3.3 3.3 0.3 49 54 A T T 4 S- 0 0 32 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.707 88.0-146.1 -85.4 -25.0 3.5 4.3 -3.3 50 55 A Q < + 0 0 135 -4,-1.7 -3,-0.1 1,-0.2 -5,-0.0 0.790 61.0 111.8 57.3 34.7 -0.2 4.6 -4.0 51 56 A K S S- 0 0 93 -7,-0.0 -5,-3.2 1,-0.0 -1,-0.2 -0.833 79.6 -71.0-130.5 164.2 0.2 3.4 -7.5 52 57 A P B -I 45 0B 86 0, 0.0 2,-2.0 0, 0.0 -7,-0.2 -0.346 33.5-133.8 -64.0 136.1 -0.9 0.3 -9.3 53 58 A L S S+ 0 0 6 -9,-3.0 -10,-0.4 -12,-0.2 2,-0.3 -0.568 71.8 112.5 -79.7 75.9 0.9 -2.9 -8.3 54 59 A H - 0 0 51 -2,-2.0 -15,-0.2 2,-0.1 -16,-0.1 -0.964 65.4-147.9-160.0 132.2 1.3 -3.7 -12.0 55 60 A Y > + 0 0 0 -17,-2.6 3,-2.5 -2,-0.3 111,-0.3 0.503 60.8 124.3 -79.7 -6.8 4.0 -4.0 -14.5 56 61 A K T 3 S+ 0 0 121 -18,-0.4 111,-0.2 1,-0.3 3,-0.1 -0.394 85.6 5.8 -61.8 129.3 1.8 -2.9 -17.4 57 62 A S T 3 S+ 0 0 71 109,-3.1 -1,-0.3 1,-0.3 110,-0.1 0.383 99.9 138.1 75.8 1.5 3.4 0.2 -19.0 58 63 A X < - 0 0 16 -3,-2.5 108,-2.9 108,-0.3 2,-0.3 -0.312 44.1-130.9 -73.7 161.2 6.5 -0.2 -16.9 59 64 A L B -D 165 0A 34 106,-0.2 13,-1.0 14,-0.2 2,-1.0 -0.752 15.6-120.4-110.1 156.2 10.0 0.2 -18.4 60 65 A F E +E 71 0A 4 104,-2.3 104,-0.3 -2,-0.3 11,-0.3 -0.854 41.8 175.3 -87.1 100.3 13.3 -1.6 -18.5 61 66 A H E + 0 0 8 -2,-1.0 2,-0.4 9,-0.6 10,-0.2 0.548 56.5 46.2 -93.0 -8.8 15.1 1.3 -16.9 62 67 A R E +E 70 0A 102 8,-1.7 8,-2.8 97,-0.2 2,-0.4 -0.971 59.4 172.8-142.2 121.5 18.6 -0.2 -16.4 63 68 A V E +E 69 0A 5 95,-2.6 2,-0.4 -2,-0.4 6,-0.2 -0.999 4.7 179.6-131.1 127.0 20.5 -2.2 -19.1 64 69 A V E >> -E 68 0A 40 4,-2.8 3,-2.2 -2,-0.4 4,-1.7 -0.950 30.0-126.2-130.8 110.4 24.1 -3.4 -18.7 65 70 A K T 34 S+ 0 0 101 -2,-0.4 86,-0.1 1,-0.3 4,-0.0 -0.248 94.8 15.4 -56.9 137.7 25.5 -5.3 -21.6 66 71 A D T 34 S+ 0 0 77 1,-0.1 -1,-0.3 57,-0.1 56,-0.0 0.474 129.6 52.6 71.0 10.3 27.0 -8.7 -20.5 67 72 A F T <4 S- 0 0 96 -3,-2.2 56,-2.4 1,-0.2 57,-0.8 0.610 104.0 -49.8-128.6 -70.4 25.2 -8.5 -17.1 68 73 A M E < -EF 64 122A 18 -4,-1.7 -4,-2.8 54,-0.3 2,-0.4 -0.992 27.1-123.9-165.0 166.2 21.5 -7.9 -17.0 69 74 A V E -EF 63 121A 0 52,-2.0 52,-2.7 -2,-0.3 2,-0.4 -0.986 34.4-165.2-123.2 139.1 18.4 -6.0 -18.0 70 75 A Q E +EF 62 120A 29 -8,-2.8 -8,-1.7 -2,-0.4 -9,-0.6 -0.953 18.3 142.8-133.7 141.3 16.3 -4.6 -15.2 71 76 A G E +EF 60 119A 0 48,-2.1 48,-1.9 -2,-0.4 -11,-0.2 -0.797 25.4 101.7-151.3-167.4 12.8 -3.1 -14.8 72 77 A G + 0 0 0 -13,-1.0 2,-1.5 46,-0.2 3,-0.1 0.545 37.5 134.8 96.7 10.4 9.8 -2.9 -12.5 73 78 A D > + 0 0 1 -14,-0.5 4,-2.2 1,-0.2 -14,-0.2 -0.644 24.5 168.1 -88.7 80.2 10.1 0.5 -10.9 74 79 A F T 4 + 0 0 24 -2,-1.5 -1,-0.2 1,-0.2 -2,-0.0 0.596 69.3 45.9 -71.4 -15.9 6.4 1.3 -11.5 75 80 A S T 4 S+ 0 0 14 -3,-0.1 -1,-0.2 -24,-0.1 -2,-0.1 0.745 131.6 10.2-104.5 -23.9 6.4 4.3 -9.3 76 81 A E T 4 S- 0 0 112 -3,-0.2 -2,-0.2 0, 0.0 -3,-0.0 0.529 78.8-143.2-126.9 -17.8 9.5 6.2 -10.3 77 82 A G S < S+ 0 0 16 -4,-2.2 -3,-0.1 1,-0.1 -5,-0.0 0.677 83.8 75.5 69.5 17.9 10.8 4.5 -13.5 78 83 A N S S- 0 0 69 -5,-0.1 -1,-0.1 -7,-0.0 -4,-0.1 0.434 113.3 -88.4-145.4 5.1 14.3 5.0 -12.6 79 84 A G S S+ 0 0 32 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.1 0.212 107.3 91.4 104.8 -17.0 15.3 2.5 -9.8 80 85 A R S S+ 0 0 207 -7,-0.1 2,-0.0 -4,-0.0 -7,-0.0 0.624 85.2 49.9 -78.7 -25.6 14.3 4.6 -6.8 81 86 A G + 0 0 10 -8,-0.1 36,-0.3 2,-0.0 37,-0.3 -0.069 54.9 92.8-104.2-158.0 10.8 3.2 -6.6 82 87 A G - 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