==== 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 30-APR-98 1CWF . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.MIKOL,J.KALLEN,P.TAYLOR,M.D.WALKINSHAW . 176 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 63.1 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 . 49 27.8 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 . 15 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 10.8 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 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 . 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 0 3 2 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 1 A M 0 0 176 0, 0.0 2,-0.4 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 151.0 13.3 9.6 38.7 2 2 A V - 0 0 92 163,-0.1 24,-0.0 24,-0.0 163,-0.0 -0.959 360.0-107.7-131.1 144.0 11.4 12.7 39.8 3 3 A N - 0 0 21 -2,-0.4 22,-0.1 1,-0.1 2,-0.1 -0.482 43.4-108.7 -68.9 140.6 10.5 15.8 37.7 4 4 A P - 0 0 16 0, 0.0 20,-2.5 0, 0.0 2,-0.5 -0.432 24.5-147.3 -72.8 148.5 12.6 18.8 38.7 5 5 A T E -A 23 0A 5 18,-0.2 159,-3.0 -2,-0.1 160,-1.4 -0.986 18.6-177.5-115.1 128.2 11.0 21.7 40.5 6 6 A V E -AB 22 163A 0 16,-2.0 16,-3.0 -2,-0.5 2,-0.3 -0.845 8.2-152.5-121.7 155.8 12.4 25.2 39.7 7 7 A F E -AB 21 162A 21 155,-2.6 155,-1.6 -2,-0.3 2,-0.4 -0.944 8.2-160.4-132.3 154.1 11.4 28.5 41.2 8 8 A F E -AB 20 161A 0 12,-2.4 12,-2.5 -2,-0.3 2,-0.6 -0.990 12.0-148.8-126.5 139.2 11.4 32.2 40.2 9 9 A D E -AB 19 160A 35 151,-3.3 150,-2.0 -2,-0.4 151,-1.2 -0.963 24.4-150.3-106.7 119.9 11.2 35.0 42.8 10 10 A I E -AB 18 158A 3 8,-3.0 7,-3.4 -2,-0.6 8,-1.1 -0.731 13.8-170.8 -96.2 141.4 9.3 37.9 41.0 11 11 A A E -AB 16 157A 5 146,-2.1 146,-2.2 -2,-0.3 2,-0.5 -0.948 14.2-148.5-128.7 150.2 9.8 41.6 41.7 12 12 A V E > S-AB 15 156A 14 3,-2.8 3,-2.3 -2,-0.3 144,-0.2 -0.981 86.4 -21.4-120.9 115.0 7.8 44.6 40.4 13 13 A D T 3 S- 0 0 93 142,-3.0 -1,-0.2 -2,-0.5 143,-0.1 0.912 130.9 -49.2 49.1 44.2 9.9 47.7 40.0 14 14 A G T 3 S+ 0 0 65 141,-0.3 -1,-0.3 1,-0.2 142,-0.1 0.356 114.0 119.0 81.2 -7.2 12.5 46.2 42.4 15 15 A E E < -A 12 0A 140 -3,-2.3 -3,-2.8 1,-0.0 -1,-0.2 -0.831 70.0-117.8 -95.8 122.2 9.9 45.3 45.1 16 16 A P E +A 11 0A 110 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.323 33.7 176.4 -58.7 131.5 9.7 41.5 45.8 17 17 A L E - 0 0 67 -7,-3.4 2,-0.3 1,-0.3 -6,-0.2 0.843 48.0 -76.0-102.0 -55.6 6.2 40.1 45.0 18 18 A G E -A 10 0A 22 -8,-1.1 -8,-3.0 120,-0.0 2,-0.4 -0.980 43.2 -73.6 172.8-178.4 6.5 36.4 45.6 19 19 A R E -A 9 0A 125 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.827 28.5-167.5-106.8 137.2 7.7 33.0 44.5 20 20 A V E -A 8 0A 2 -12,-2.5 -12,-2.4 -2,-0.4 2,-0.4 -0.989 10.5-160.8-121.3 128.2 6.3 30.9 41.7 21 21 A S E -AC 7 134A 10 113,-2.7 112,-3.2 -2,-0.5 113,-1.4 -0.902 4.1-162.1-112.7 147.4 7.4 27.3 41.5 22 22 A F E -AC 6 132A 1 -16,-3.0 -16,-2.0 -2,-0.4 2,-0.5 -0.934 14.8-142.3-127.1 147.2 7.1 25.1 38.4 23 23 A E E -AC 5 131A 54 108,-2.8 108,-1.9 -2,-0.3 2,-0.5 -0.910 22.2-147.6-103.8 134.1 7.2 21.4 37.9 24 24 A L E - C 0 130A 0 -20,-2.5 2,-2.0 -2,-0.5 106,-0.3 -0.905 12.5-131.2-105.1 135.3 9.1 20.5 34.6 25 25 A F >> + 0 0 29 104,-2.7 4,-2.6 -2,-0.5 3,-1.6 -0.423 43.7 155.1 -84.9 68.3 7.9 17.4 32.7 26 26 A A T 34 + 0 0 20 -2,-2.0 -1,-0.2 1,-0.3 8,-0.1 0.746 68.5 65.5 -65.5 -23.5 11.3 15.8 32.2 27 27 A D T 34 S+ 0 0 80 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.675 116.8 25.2 -73.5 -16.6 9.7 12.4 31.8 28 28 A K T <4 S+ 0 0 84 -3,-1.6 -2,-0.2 101,-0.1 -1,-0.2 0.681 138.9 21.0-115.8 -33.6 7.9 13.6 28.6 29 29 A V X + 0 0 0 -4,-2.6 4,-2.7 100,-0.1 5,-0.2 -0.535 68.8 165.5-136.4 69.4 10.1 16.4 27.2 30 30 A P H > S+ 0 0 69 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.861 75.6 49.0 -54.5 -43.6 13.6 15.8 28.8 31 31 A K H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.919 115.6 42.6 -66.0 -42.2 15.5 18.0 26.4 32 32 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.894 115.5 49.4 -72.0 -40.2 13.1 21.0 26.7 33 33 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.917 110.0 51.6 -63.9 -43.5 12.8 20.6 30.5 34 34 A E H X S+ 0 0 65 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.900 106.2 54.1 -60.7 -45.0 16.6 20.4 30.9 35 35 A N H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.950 112.6 43.2 -54.6 -52.4 17.1 23.6 28.9 36 36 A F H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.902 114.1 51.4 -61.9 -41.3 14.7 25.5 31.3 37 37 A R H X S+ 0 0 28 -4,-2.7 4,-1.6 1,-0.2 3,-0.3 0.951 112.1 45.0 -62.2 -49.5 16.2 23.8 34.4 38 38 A A H X>S+ 0 0 1 -4,-3.0 4,-1.6 1,-0.2 5,-0.7 0.860 111.7 53.0 -64.3 -34.3 19.8 24.8 33.5 39 39 A L H <5S+ 0 0 1 -4,-2.2 9,-1.8 -5,-0.3 10,-0.5 0.808 108.2 52.0 -70.9 -27.6 18.7 28.3 32.5 40 40 A S H <5S+ 0 0 2 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.812 113.4 41.8 -78.0 -31.9 17.0 28.7 36.0 41 41 A T H <5S- 0 0 51 -4,-1.6 -2,-0.2 121,-0.2 -1,-0.2 0.715 98.5-138.0 -85.3 -22.4 20.2 27.6 37.9 42 42 A G T ><5 + 0 0 30 -4,-1.6 3,-2.2 -5,-0.2 -3,-0.2 0.584 53.0 146.2 75.0 15.4 22.5 29.7 35.6 43 43 A E T 3 < + 0 0 102 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.594 62.8 55.4 -63.1 -15.1 24.9 26.8 35.7 44 44 A K T 3 S- 0 0 114 2,-0.6 -1,-0.3 -6,-0.4 3,-0.1 0.348 126.3 -95.0 -95.7 0.7 26.2 27.3 32.1 45 45 A G S < S+ 0 0 71 -3,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.507 101.9 58.9 100.5 3.7 27.1 30.9 32.8 46 46 A F + 0 0 55 -8,-0.2 -2,-0.6 -4,-0.1 2,-0.3 -0.970 59.4 119.1-155.9 159.2 23.9 32.5 31.6 47 47 A G - 0 0 14 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.995 65.2 -48.3 171.0-165.7 20.3 32.4 32.4 48 48 A Y S > S+ 0 0 0 -9,-1.8 3,-2.8 -2,-0.3 110,-0.3 0.684 81.1 115.6 -71.9 -25.0 17.0 33.9 33.6 49 49 A K T 3 S+ 0 0 129 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.267 89.0 9.4 -54.3 126.1 18.2 35.6 36.8 50 50 A G T 3 S+ 0 0 48 108,-3.1 -1,-0.3 1,-0.3 109,-0.1 0.325 102.5 119.8 86.7 -7.5 17.8 39.3 36.4 51 51 A S < - 0 0 0 -3,-2.8 107,-3.1 107,-0.2 -1,-0.3 -0.367 52.4-130.4 -86.0 170.7 15.7 39.1 33.1 52 52 A C B -D 157 0A 10 14,-0.4 2,-0.9 105,-0.2 13,-0.8 -0.647 16.8-111.2-122.4 171.9 12.2 40.3 32.7 53 53 A F + 0 0 1 103,-2.3 103,-0.5 -2,-0.2 11,-0.2 -0.918 38.0 178.7 -96.7 101.5 8.7 39.5 31.6 54 54 A H + 0 0 46 -2,-0.9 2,-0.4 9,-0.4 98,-0.3 0.599 62.7 39.4 -82.9 -15.5 8.6 41.8 28.5 55 55 A R E +E 63 0A 18 8,-1.4 8,-3.2 96,-0.1 2,-0.4 -0.946 59.2 167.6-144.3 115.2 5.1 40.9 27.3 56 56 A I E -E 62 0A 0 94,-2.4 91,-2.1 -2,-0.4 94,-0.3 -0.990 8.1-176.1-131.5 124.2 2.0 40.3 29.4 57 57 A I E >> -E 61 0A 11 4,-2.5 3,-2.1 -2,-0.4 4,-1.4 -0.965 31.0-122.6-121.5 108.8 -1.5 40.1 28.0 58 58 A P T 34 S+ 0 0 64 0, 0.0 82,-0.0 0, 0.0 86,-0.0 -0.200 96.3 16.8 -51.2 138.7 -4.3 39.7 30.6 59 59 A G T 34 S+ 0 0 50 1,-0.1 56,-0.0 57,-0.0 84,-0.0 0.396 128.6 55.1 77.2 -3.0 -6.4 36.6 30.1 60 60 A F T <4 S- 0 0 4 -3,-2.1 56,-2.4 1,-0.2 57,-0.8 0.644 104.2 -59.2-120.8 -75.1 -3.8 35.1 27.7 61 61 A M E < -EF 57 115A 0 -4,-1.4 -4,-2.5 54,-0.3 2,-0.4 -0.986 26.5-114.9-168.9 173.0 -0.2 34.8 29.1 62 62 A C E -EF 56 114A 0 52,-1.6 52,-2.4 -2,-0.3 2,-0.4 -0.996 34.0-161.1-122.0 122.9 3.0 36.2 30.6 63 63 A Q E +EF 55 113A 1 -8,-3.2 -8,-1.4 -2,-0.4 -9,-0.4 -0.897 23.8 136.2-113.0 138.7 6.1 35.9 28.3 64 64 A G E + F 0 112A 0 48,-2.2 48,-2.1 -2,-0.4 -11,-0.2 -0.810 17.5 108.3-155.1-166.7 9.7 36.2 29.3 65 65 A G + 0 0 0 -13,-0.8 2,-1.4 46,-0.2 11,-0.3 0.440 38.5 132.1 105.7 -1.9 13.2 34.6 28.9 66 66 A D + 0 0 5 -14,-0.5 -14,-0.4 1,-0.2 -1,-0.2 -0.695 15.3 156.6 -86.9 93.3 15.1 37.1 26.8 67 67 A F + 0 0 23 -2,-1.4 -1,-0.2 -16,-0.1 -20,-0.1 0.459 67.8 47.8 -94.2 -2.2 18.4 37.4 28.8 68 68 A T S S+ 0 0 58 -3,-0.1 -2,-0.1 8,-0.0 -3,-0.0 0.817 123.1 18.6 -98.6 -79.6 20.4 38.5 25.8 69 69 A R S S- 0 0 147 1,-0.1 -2,-0.1 2,-0.0 -3,-0.1 0.717 86.4-149.8 -66.9 -19.9 18.9 41.4 23.8 70 70 A H S S+ 0 0 97 1,-0.1 -1,-0.1 -18,-0.0 -3,-0.1 0.816 74.8 87.4 51.9 35.7 16.7 42.1 26.8 71 71 A N S S- 0 0 86 -19,-0.0 -1,-0.1 0, 0.0 -4,-0.1 0.255 109.5 -89.6-144.9 10.2 14.0 43.3 24.4 72 72 A G S S+ 0 0 3 -6,-0.1 101,-0.4 100,-0.1 -5,-0.1 0.269 112.3 80.8 97.2 -11.8 11.9 40.3 23.4 73 73 A T S S+ 0 0 70 99,-0.2 99,-0.1 -7,-0.1 2,-0.1 0.589 85.9 57.8-102.9 -11.6 13.9 39.4 20.3 74 74 A G + 0 0 10 -8,-0.0 36,-0.3 99,-0.0 37,-0.2 -0.139 44.5 105.8-108.3-159.3 16.8 37.5 22.0 75 75 A G - 0 0 20 -9,-0.2 2,-0.3 35,-0.1 -9,-0.1 -0.322 38.3-144.1 108.4 165.0 17.7 34.6 24.2 76 76 A K - 0 0 61 -11,-0.3 5,-0.2 -2,-0.1 6,-0.2 -0.982 14.1-109.9-159.3 162.0 19.4 31.2 23.4 77 77 A S B > -I 80 0B 1 3,-1.2 3,-0.8 4,-0.7 33,-0.1 -0.330 30.6-112.2 -90.3 173.8 19.3 27.6 24.5 78 78 A I T 3 S+ 0 0 35 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.460 117.1 61.2 -81.0 -4.1 21.9 25.6 26.4 79 79 A Y T 3 S- 0 0 88 1,-0.5 2,-0.3 30,-0.1 -1,-0.2 0.296 126.7 -78.8-102.9 6.7 22.3 23.6 23.2 80 80 A G B < S-I 77 0B 32 -3,-0.8 -3,-1.2 1,-0.2 -1,-0.5 -0.869 81.6 -34.1 125.7-158.4 23.4 26.6 21.1 81 81 A E S S- 0 0 132 -2,-0.3 -4,-0.7 -5,-0.2 2,-0.3 0.941 120.9 -0.9 -65.2 -51.5 21.2 29.3 19.6 82 82 A K - 0 0 136 -3,-0.2 2,-0.3 -6,-0.2 27,-0.2 -0.917 60.6-160.5-139.1 160.3 18.0 27.2 18.8 83 83 A F B -J 108 0C 8 25,-1.7 25,-2.1 -2,-0.3 3,-0.1 -0.923 29.1 -86.5-141.4 164.1 16.8 23.6 19.1 84 84 A E - 0 0 91 -2,-0.3 2,-0.8 23,-0.2 3,-0.1 -0.166 44.5 -95.9 -67.4 159.2 14.1 21.4 17.6 85 85 A D - 0 0 25 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.719 37.4-156.8 -77.1 112.7 10.5 21.0 18.7 86 86 A E - 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