==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/IMMUNOSUPPRESSANT 28-FEB-94 3CYS . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.SPITZFADEN,W.BRAUN,G.WIDER,H.WIDMER,K.WUTHRICH . 176 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 23.3 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 21 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 11.4 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+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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 3 1 1 1 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 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 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 M 0 0 135 0, 0.0 24,-0.0 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 27.5 0.4 -20.3 -10.5 2 2 A V - 0 0 146 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.982 360.0-148.6 53.5 69.5 0.5 -20.7 -6.7 3 3 A N - 0 0 66 1,-0.1 -1,-0.1 21,-0.0 22,-0.1 -0.480 9.3-126.4 -71.0 136.3 0.1 -17.1 -5.8 4 4 A P - 0 0 38 0, 0.0 20,-1.1 0, 0.0 2,-0.3 -0.282 18.6-136.0 -75.0 166.8 1.9 -16.0 -2.6 5 5 A T E -AB 23 164A 45 159,-1.1 159,-2.5 18,-0.2 2,-0.3 -0.959 18.8-174.8-129.0 147.8 0.1 -14.2 0.2 6 6 A V E +A 22 0A 1 16,-1.9 16,-2.9 -2,-0.3 2,-0.3 -0.948 8.1 159.6-140.3 155.3 1.2 -11.2 2.3 7 7 A F E -A 21 0A 42 -2,-0.3 155,-2.3 14,-0.3 156,-0.3 -0.971 14.7-161.1-162.3 169.9 -0.1 -9.3 5.3 8 8 A F E -AC 20 161A 9 12,-2.0 12,-1.9 -2,-0.3 2,-0.3 -0.967 21.7-117.0-160.6 156.7 0.9 -7.0 8.1 9 9 A D E -AC 19 160A 19 151,-2.6 150,-1.7 -2,-0.3 151,-0.7 -0.683 19.4-142.0-101.2 146.4 -0.5 -5.8 11.5 10 10 A I E -AC 18 158A 0 8,-2.2 7,-2.7 -2,-0.3 8,-1.0 -0.890 9.8-157.7-110.0 136.9 -1.6 -2.4 12.4 11 11 A A E -AC 16 157A 10 146,-3.0 146,-2.8 -2,-0.4 2,-1.1 -0.963 7.0-155.2-118.0 122.1 -1.0 -0.8 15.8 12 12 A V E S- C 0 156A 21 3,-3.2 144,-0.2 -2,-0.5 142,-0.1 -0.801 79.0 -39.4 -93.9 94.0 -3.1 2.0 17.2 13 13 A D S S- 0 0 55 142,-1.3 -1,-0.2 -2,-1.1 143,-0.1 0.964 127.9 -28.8 49.9 83.7 -0.8 3.6 19.7 14 14 A G S S+ 0 0 84 -3,-0.2 -1,-0.2 1,-0.1 142,-0.1 0.849 122.2 103.5 49.4 42.1 0.9 0.6 21.2 15 15 A E S S- 0 0 121 0, 0.0 -3,-3.2 0, 0.0 2,-0.6 -0.900 72.3-125.3-156.7 125.7 -2.1 -1.5 20.6 16 16 A P E -A 11 0A 97 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.593 23.6-179.5 -75.0 116.5 -2.8 -4.2 18.0 17 17 A L E - 0 0 63 -7,-2.7 2,-0.3 -2,-0.6 -6,-0.1 0.901 54.5 -77.4 -80.1 -45.4 -5.9 -3.3 16.1 18 18 A G E -A 10 0A 15 -8,-1.0 -8,-2.2 2,-0.0 -1,-0.3 -0.923 46.4 -74.2 162.0 176.4 -5.8 -6.4 13.8 19 19 A R E -A 9 0A 160 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.742 28.4-160.0-102.4 146.9 -4.2 -8.0 10.8 20 20 A V E -A 8 0A 1 -12,-1.9 -12,-2.0 -2,-0.3 2,-0.2 -0.993 13.3-172.2-127.2 125.2 -4.8 -7.1 7.2 21 21 A S E -A 7 0A 32 113,-1.5 113,-0.4 -2,-0.4 2,-0.3 -0.702 4.6-159.7-114.9 164.6 -3.9 -9.6 4.5 22 22 A F E -A 6 0A 0 -16,-2.9 -16,-1.9 -2,-0.2 2,-0.5 -0.999 12.9-141.2-147.4 141.8 -3.8 -9.5 0.7 23 23 A E E -AD 5 131A 93 108,-1.8 108,-1.6 -2,-0.3 2,-0.3 -0.925 23.3-151.0-106.1 125.9 -3.8 -11.9 -2.2 24 24 A L E - D 0 130A 1 -20,-1.1 2,-1.0 -2,-0.5 106,-0.3 -0.672 16.1-132.3 -99.2 148.5 -1.5 -11.0 -5.1 25 25 A F >> + 0 0 56 104,-2.7 4,-2.4 -2,-0.3 3,-1.4 -0.491 44.8 152.1 -95.2 61.8 -2.1 -11.9 -8.8 26 26 A A T 34 + 0 0 12 -2,-1.0 -1,-0.2 1,-0.3 7,-0.1 0.746 67.9 70.1 -61.7 -23.2 1.4 -13.2 -9.4 27 27 A D T 34 S+ 0 0 64 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.878 110.4 30.3 -58.2 -39.3 -0.2 -15.4 -12.0 28 28 A K T <4 S+ 0 0 122 -3,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.807 138.1 24.2 -91.2 -35.0 -0.8 -12.2 -14.1 29 29 A V X + 0 0 5 -4,-2.4 2,-2.6 100,-0.1 4,-1.3 -0.607 64.6 174.8-136.1 71.0 2.2 -10.3 -12.9 30 30 A P T 4 S+ 0 0 80 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.376 79.0 45.8 -75.0 62.0 4.9 -12.7 -11.7 31 31 A K T > S+ 0 0 123 -2,-2.6 4,-0.7 0, 0.0 3,-0.2 0.219 107.2 45.0-161.9 -54.0 7.3 -9.8 -11.2 32 32 A T H > S+ 0 0 2 -3,-0.3 4,-1.1 1,-0.2 5,-0.1 0.608 103.7 66.5 -87.1 -14.1 5.8 -6.9 -9.4 33 33 A A H X S+ 0 0 3 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.842 96.5 56.7 -69.1 -35.7 4.1 -9.1 -6.9 34 34 A E H > S+ 0 0 92 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.869 97.8 61.2 -64.6 -38.4 7.6 -10.0 -5.6 35 35 A N H X S+ 0 0 4 -4,-0.7 4,-1.2 1,-0.2 -1,-0.2 0.920 109.5 42.1 -52.4 -47.9 8.3 -6.3 -5.0 36 36 A F H X S+ 0 0 6 -4,-1.1 4,-0.7 1,-0.2 3,-0.3 0.902 111.3 55.7 -65.1 -43.2 5.4 -6.2 -2.5 37 37 A R H >X S+ 0 0 58 -4,-2.3 4,-1.0 1,-0.3 3,-0.7 0.877 110.3 45.0 -57.0 -41.0 6.4 -9.6 -1.0 38 38 A A H 3X>S+ 0 0 12 -4,-2.8 4,-1.8 1,-0.2 5,-0.8 0.765 103.2 64.7 -75.7 -26.2 9.8 -8.3 -0.2 39 39 A L H 3<5S+ 0 0 3 -4,-1.2 9,-2.0 -3,-0.3 10,-0.3 0.631 98.6 56.9 -77.5 -13.9 8.5 -5.0 1.1 40 40 A S H <<5S+ 0 0 7 -4,-0.7 8,-0.3 -3,-0.7 9,-0.2 0.975 110.3 38.2 -74.5 -70.0 6.8 -7.0 3.9 41 41 A T H <5S- 0 0 60 -4,-1.0 -2,-0.2 1,-0.1 -3,-0.1 0.794 104.1-148.5 -50.6 -29.8 9.8 -8.7 5.4 42 42 A G T <5 + 0 0 18 -4,-1.8 4,-0.3 -5,-0.2 3,-0.2 0.840 43.6 140.0 63.1 37.8 11.4 -5.4 4.6 43 43 A E > < + 0 0 130 -5,-0.8 3,-0.7 1,-0.2 -1,-0.1 -0.198 40.2 70.5 -82.9-169.2 14.9 -6.5 3.8 44 44 A K T 3 S- 0 0 127 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.587 132.3 -63.7 69.1 9.2 16.9 -5.1 0.9 45 45 A G T 3 S+ 0 0 37 -3,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.794 117.9 48.0 88.9 32.0 17.1 -1.9 3.0 46 46 A F < + 0 0 19 -3,-0.7 2,-0.3 -4,-0.3 -1,-0.2 -0.947 50.1 124.4 179.8 171.5 13.5 -1.0 3.2 47 47 A G S S- 0 0 5 -2,-0.3 19,-0.8 -3,-0.1 -7,-0.2 -0.968 70.0 -60.6 155.0-165.4 9.9 -2.1 3.9 48 48 A Y S > S+ 0 0 5 -9,-2.0 2,-1.8 -8,-0.3 3,-0.8 0.446 99.4 98.3 -92.8 -2.6 6.8 -1.5 5.9 49 49 A K T 3 + 0 0 103 -10,-0.3 -1,-0.2 1,-0.2 16,-0.0 -0.352 50.7 100.4 -83.8 55.5 8.6 -2.1 9.2 50 50 A G T 3 S- 0 0 31 -2,-1.8 -1,-0.2 2,-0.2 3,-0.1 0.335 83.5-132.3-114.5 -0.2 9.1 1.6 9.8 51 51 A S < + 0 0 65 -3,-0.8 2,-0.3 1,-0.2 -2,-0.1 0.947 66.2 104.5 44.6 73.1 6.3 1.8 12.3 52 52 A C - 0 0 72 -4,-0.3 2,-0.3 12,-0.0 -2,-0.2 -0.930 53.7-146.1-171.7 151.1 4.7 4.9 10.7 53 53 A F - 0 0 20 103,-0.4 11,-0.2 -2,-0.3 3,-0.1 -0.955 6.3-152.7-126.0 150.1 1.8 6.0 8.6 54 54 A H - 0 0 64 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.971 66.3 -44.4 -79.1 -66.4 1.4 8.7 6.1 55 55 A R - 0 0 36 8,-0.2 8,-0.6 96,-0.1 2,-0.4 -0.979 40.8-143.6-166.7 156.4 -2.3 9.6 6.2 56 56 A I E -EF 62 147A 0 91,-0.5 91,-1.7 -2,-0.3 94,-0.2 -0.961 11.2-167.7-136.0 116.1 -5.7 8.1 6.3 57 57 A I E >> -E 61 0A 22 4,-0.9 4,-0.8 -2,-0.4 3,-0.8 -0.909 26.7-123.6-104.2 128.3 -8.7 9.6 4.5 58 58 A P T 34 S+ 0 0 70 0, 0.0 4,-0.1 0, 0.0 90,-0.1 -0.594 93.9 12.4 -75.0 110.0 -12.1 8.2 5.4 59 59 A G T 34 S+ 0 0 57 -2,-0.7 3,-0.1 2,-0.1 58,-0.0 0.873 121.9 56.3 93.1 46.3 -13.8 7.0 2.3 60 60 A F T <4 S- 0 0 5 -3,-0.8 56,-2.1 1,-0.2 57,-0.4 0.104 102.8 -26.6-156.9 -69.8 -11.0 6.9 -0.2 61 61 A M E < -EG 57 115A 1 -4,-0.8 -4,-0.9 54,-0.2 2,-0.3 -0.959 40.8-154.9-157.9 166.2 -7.9 5.0 0.5 62 62 A C E +EG 56 114A 2 52,-1.6 52,-2.6 -2,-0.3 2,-0.2 -0.956 37.2 99.5-154.2 130.3 -5.7 3.6 3.3 63 63 A Q + 0 0 2 -8,-0.6 -9,-0.2 -2,-0.3 -8,-0.2 -0.853 23.3 168.4-172.2-145.2 -2.0 2.6 3.4 64 64 A G + 0 0 0 48,-0.5 2,-0.2 -2,-0.2 -11,-0.1 -0.516 31.1 80.7 130.8 160.1 1.4 3.9 4.6 65 65 A G + 0 0 5 -2,-0.2 -17,-0.2 1,-0.2 3,-0.2 -0.653 50.0 82.3 111.4-166.8 4.9 2.7 5.2 66 66 A D + 0 0 6 -19,-0.8 2,-0.7 -2,-0.2 8,-0.3 -0.151 68.8 68.5 67.2-162.6 7.8 2.1 2.9 67 67 A F + 0 0 25 6,-0.2 8,-2.7 7,-0.2 -1,-0.2 -0.326 53.9 152.6 60.4-100.1 10.1 5.0 1.9 68 68 A T + 0 0 62 -2,-0.7 7,-0.4 6,-0.4 -1,-0.1 0.870 46.8 74.6 39.0 86.4 11.7 5.8 5.2 69 69 A R S S+ 0 0 148 5,-0.2 2,-0.8 6,-0.1 -1,-0.1 0.008 81.7 58.4-178.9 -43.8 15.1 7.3 4.2 70 70 A H S S- 0 0 76 1,-0.1 3,-0.4 0, 0.0 -2,-0.1 -0.821 132.6 -54.1-107.9 91.4 14.6 10.8 3.0 71 71 A N S S- 0 0 148 -2,-0.8 -1,-0.1 1,-0.3 -3,-0.0 0.890 118.4 -39.1 40.1 53.0 12.9 12.8 5.7 72 72 A G S S+ 0 0 53 -5,-0.1 -1,-0.3 1,-0.0 -4,-0.1 0.775 135.0 86.6 73.9 27.9 10.2 10.1 5.8 73 73 A T + 0 0 51 -3,-0.4 -6,-0.2 -6,-0.2 -2,-0.1 -0.088 52.1 131.6-146.8 36.7 10.1 9.8 2.1 74 74 A G + 0 0 6 -8,-0.3 -6,-0.4 2,-0.0 -5,-0.2 0.707 21.3 151.7 -60.3-128.8 12.8 7.2 1.5 75 75 A G + 0 0 15 -8,-2.7 2,-0.3 -7,-0.4 -7,-0.1 0.680 13.2 172.2 101.3 109.2 12.0 4.2 -0.8 76 76 A K - 0 0 65 -9,-0.1 5,-0.3 -31,-0.0 2,-0.2 -0.966 22.5-136.3-133.1 158.0 14.0 2.0 -3.0 77 77 A S B > -J 80 0B 6 3,-2.0 3,-1.4 -2,-0.3 5,-0.1 -0.550 26.6-109.4-106.6 170.9 12.8 -1.1 -4.8 78 78 A I T 3 S+ 0 0 42 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.548 124.3 46.0 -77.0 -7.4 14.4 -4.5 -5.3 79 79 A Y T 3 S- 0 0 79 1,-0.6 -1,-0.3 3,-0.0 2,-0.2 0.208 132.7 -73.4-113.3 10.3 14.9 -3.5 -9.0 80 80 A G B < -J 77 0B 32 -3,-1.4 -3,-2.0 1,-0.1 -1,-0.6 -0.625 64.9 -57.1 121.1 177.3 16.3 -0.0 -8.1 81 81 A E S S+ 0 0 127 -5,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.521 127.2 30.2 -75.0 -5.2 14.9 3.2 -6.9 82 82 A K - 0 0 122 -3,-0.1 2,-0.3 -5,-0.1 25,-0.2 -0.932 69.4-171.5-142.7 170.6 12.6 3.1 -9.9 83 83 A F - 0 0 32 -2,-0.3 25,-1.8 23,-0.2 -3,-0.1 -0.953 25.3-107.6-166.2 141.1 11.0 0.4 -11.9 84 84 A E - 0 0 133 -2,-0.3 2,-0.1 23,-0.2 24,-0.1 -0.003 36.5-111.3 -66.2 174.0 9.0 0.1 -15.1 85 85 A D - 0 0 49 1,-0.1 -1,-0.1 22,-0.0 23,-0.0 -0.363 13.6-151.1 -98.3-178.0 5.3 -0.7 -15.3 86 86 A E - 0 0 55 1,-0.4 2,-0.3 -2,-0.1 -1,-0.1 0.713 48.2 -71.9-117.4 -66.8 3.5 -3.8 -16.5 87 87 A N - 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