==== 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 20-SEP-95 1MIK . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.MIKOL . 176 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7929.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 65.3 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 . 51 29.0 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 . 2 1.1 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 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.1 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 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 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 1 A M 0 0 192 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.1 13.6 9.5 39.3 2 2 A V - 0 0 87 24,-0.0 24,-0.0 25,-0.0 163,-0.0 -0.920 360.0 -98.8-133.2 151.6 11.4 12.5 39.8 3 3 A N - 0 0 25 -2,-0.3 22,-0.1 1,-0.1 162,-0.0 -0.508 50.0-109.7 -68.7 136.7 10.4 15.5 37.6 4 4 A P - 0 0 15 0, 0.0 20,-2.4 0, 0.0 2,-0.4 -0.325 24.9-147.8 -70.1 151.5 12.5 18.5 38.6 5 5 A T E -A 23 0A 5 160,-2.8 159,-3.0 18,-0.2 160,-1.3 -0.987 16.5-177.0-120.3 130.4 10.9 21.6 40.3 6 6 A V E -AB 22 163A 0 16,-2.0 16,-3.0 -2,-0.4 2,-0.3 -0.844 8.5-151.2-123.1 158.2 12.2 25.1 39.7 7 7 A F E -AB 21 162A 20 155,-2.3 155,-1.6 -2,-0.3 2,-0.4 -0.949 6.7-159.2-131.9 154.8 11.2 28.4 41.3 8 8 A F E -AB 20 161A 1 12,-2.4 12,-2.5 -2,-0.3 2,-0.6 -0.988 11.6-149.0-129.0 136.1 11.2 32.1 40.2 9 9 A D E -AB 19 160A 34 151,-2.9 150,-1.9 -2,-0.4 151,-1.1 -0.963 25.1-151.1-105.2 115.8 11.1 35.0 42.8 10 10 A I E -AB 18 158A 3 8,-3.0 7,-3.2 -2,-0.6 8,-1.1 -0.726 13.6-170.3 -95.1 139.8 9.2 37.8 41.0 11 11 A A E -AB 16 157A 5 146,-2.5 146,-2.5 -2,-0.3 2,-0.5 -0.947 13.9-149.3-127.9 149.6 9.7 41.5 41.7 12 12 A V E > S-AB 15 156A 14 3,-3.0 3,-2.4 -2,-0.3 144,-0.2 -0.968 85.3 -21.9-119.9 115.3 7.7 44.5 40.5 13 13 A D T 3 S- 0 0 92 142,-2.9 -1,-0.2 -2,-0.5 143,-0.1 0.915 129.9 -50.7 48.9 44.6 9.8 47.7 40.1 14 14 A G T 3 S+ 0 0 65 141,-0.3 -1,-0.3 1,-0.2 142,-0.1 0.309 114.3 119.2 79.8 -9.3 12.3 46.1 42.5 15 15 A E E < S-A 12 0A 140 -3,-2.4 -3,-3.0 1,-0.0 -1,-0.2 -0.794 70.3-116.2 -90.9 126.4 9.8 45.2 45.2 16 16 A P E +A 11 0A 118 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.362 34.2 176.3 -63.2 134.3 9.5 41.5 45.9 17 17 A L E - 0 0 67 -7,-3.2 2,-0.3 1,-0.3 -6,-0.2 0.813 47.5 -80.9-101.2 -59.6 6.1 40.0 45.0 18 18 A G E -A 10 0A 23 -8,-1.1 -8,-3.0 120,-0.0 2,-0.4 -0.982 42.0 -70.6 173.6-175.6 6.4 36.3 45.6 19 19 A R E -A 9 0A 122 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.834 27.6-167.0-109.5 138.1 7.6 32.9 44.5 20 20 A V E -A 8 0A 2 -12,-2.5 -12,-2.4 -2,-0.4 2,-0.4 -0.981 10.0-160.1-120.9 131.5 6.2 30.7 41.7 21 21 A S E -AC 7 134A 12 113,-2.6 112,-3.1 -2,-0.4 113,-1.2 -0.883 5.8-162.1-112.6 147.8 7.3 27.1 41.5 22 22 A F E -AC 6 132A 0 -16,-3.0 -16,-2.0 -2,-0.4 2,-0.5 -0.965 15.3-140.6-130.8 146.5 7.0 24.9 38.4 23 23 A E E -AC 5 131A 46 108,-2.8 108,-2.1 -2,-0.4 2,-0.5 -0.909 20.9-149.2-103.4 131.1 7.1 21.2 37.7 24 24 A L E - C 0 130A 0 -20,-2.4 2,-2.0 -2,-0.5 106,-0.3 -0.892 12.6-133.2-104.5 128.8 9.0 20.4 34.5 25 25 A F >> + 0 0 27 104,-2.4 4,-2.8 -2,-0.5 3,-1.8 -0.398 41.9 156.8 -82.5 67.9 7.8 17.3 32.6 26 26 A A T 34 + 0 0 17 -2,-2.0 -1,-0.2 1,-0.3 8,-0.1 0.722 69.1 65.1 -64.8 -22.5 11.3 15.7 32.0 27 27 A D T 34 S+ 0 0 94 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.734 116.4 25.9 -73.6 -20.1 9.6 12.3 31.6 28 28 A K T <4 S+ 0 0 85 -3,-1.8 -2,-0.2 1,-0.1 -1,-0.1 0.712 139.9 19.8-111.7 -32.7 7.8 13.5 28.5 29 29 A V X + 0 0 0 -4,-2.8 4,-2.8 100,-0.1 5,-0.3 -0.525 69.0 164.9-138.1 69.2 10.0 16.3 27.1 30 30 A P H > S+ 0 0 70 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.864 75.6 48.6 -56.4 -43.7 13.5 15.7 28.7 31 31 A K H > S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.918 116.2 42.7 -66.1 -42.1 15.5 17.9 26.4 32 32 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 115.0 49.9 -71.0 -41.0 13.1 20.9 26.7 33 33 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.937 110.2 51.4 -61.9 -44.2 12.7 20.4 30.5 34 34 A E H X S+ 0 0 66 -4,-2.5 4,-2.8 -5,-0.3 5,-0.3 0.890 106.0 54.3 -61.5 -40.5 16.5 20.3 30.8 35 35 A N H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.951 112.6 43.0 -58.2 -50.3 17.0 23.5 28.9 36 36 A F H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.901 113.9 51.7 -64.4 -41.0 14.6 25.4 31.2 37 37 A R H X S+ 0 0 29 -4,-2.6 4,-1.5 1,-0.2 3,-0.3 0.948 111.4 45.6 -61.4 -50.7 16.1 23.8 34.3 38 38 A A H X>S+ 0 0 1 -4,-2.8 4,-1.4 1,-0.2 5,-0.7 0.830 111.0 53.3 -63.5 -33.6 19.7 24.7 33.4 39 39 A L H <5S+ 0 0 1 -4,-1.9 9,-1.9 -5,-0.3 10,-0.5 0.808 107.4 53.3 -71.6 -27.7 18.6 28.3 32.5 40 40 A S H <5S+ 0 0 2 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.812 113.0 41.2 -75.8 -33.5 16.9 28.6 35.9 41 41 A T H <5S- 0 0 51 -4,-1.5 -2,-0.2 121,-0.2 -1,-0.2 0.720 98.4-137.5 -84.7 -21.6 20.1 27.6 37.9 42 42 A G T ><5 + 0 0 31 -4,-1.4 3,-2.1 -5,-0.2 -3,-0.1 0.584 53.6 145.7 74.1 15.4 22.4 29.6 35.6 43 43 A E T 3 < + 0 0 101 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.594 62.6 56.2 -62.6 -16.7 24.9 26.7 35.6 44 44 A K T 3 S- 0 0 113 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.361 126.6 -93.9 -94.7 2.0 26.1 27.3 32.0 45 45 A G S < S+ 0 0 70 -3,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.513 101.7 53.7 100.8 3.5 27.1 30.8 32.8 46 46 A F + 0 0 55 -4,-0.1 -2,-0.5 32,-0.0 2,-0.3 -0.972 60.0 117.2-159.1 162.5 23.9 32.6 31.7 47 47 A G - 0 0 16 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.999 65.1 -42.5 167.9-161.6 20.2 32.3 32.4 48 48 A Y S > S+ 0 0 0 -9,-1.9 3,-2.8 -2,-0.3 110,-0.3 0.740 80.3 115.5 -73.4 -28.0 16.9 33.8 33.6 49 49 A K T 3 S+ 0 0 140 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.211 89.3 9.7 -52.2 123.8 18.1 35.5 36.8 50 50 A G T 3 S+ 0 0 51 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.375 100.6 122.7 88.9 -4.2 17.6 39.2 36.5 51 51 A S < - 0 0 1 -3,-2.8 107,-2.9 107,-0.2 -1,-0.3 -0.357 51.1-128.2 -85.7 173.5 15.6 39.0 33.2 52 52 A C B -D 157 0A 7 14,-0.3 2,-0.9 105,-0.2 13,-0.7 -0.727 15.8-115.1-123.9 163.7 12.1 40.4 32.7 53 53 A F E -E 64 0A 2 103,-2.2 103,-0.5 -2,-0.2 11,-0.3 -0.916 36.7-178.4 -91.6 106.7 8.6 39.5 31.5 54 54 A H E + 0 0 38 -2,-0.9 2,-0.4 9,-0.6 98,-0.3 0.601 63.5 38.8 -87.0 -13.2 8.5 41.8 28.5 55 55 A R E +E 63 0A 21 8,-1.3 8,-3.1 96,-0.1 2,-0.4 -0.958 60.1 167.7-144.5 115.7 5.0 41.0 27.2 56 56 A I E -E 62 0A 0 94,-2.2 91,-2.0 -2,-0.4 94,-0.3 -0.994 8.0-176.0-131.6 123.8 1.9 40.3 29.4 57 57 A I E >> -E 61 0A 16 4,-2.4 3,-2.0 -2,-0.4 4,-1.2 -0.972 31.3-120.5-122.7 110.7 -1.6 40.2 28.0 58 58 A P T 34 S+ 0 0 65 0, 0.0 82,-0.0 0, 0.0 86,-0.0 -0.230 96.5 15.4 -53.0 134.8 -4.4 39.7 30.7 59 59 A G T 34 S+ 0 0 52 1,-0.1 56,-0.0 57,-0.0 84,-0.0 0.446 127.7 55.9 79.3 2.0 -6.4 36.6 30.2 60 60 A F T <4 S- 0 0 4 -3,-2.0 56,-2.4 1,-0.2 57,-0.7 0.584 103.9 -55.0-125.2 -75.3 -3.9 35.1 27.8 61 61 A M E < -EF 57 115A 0 -4,-1.2 -4,-2.4 54,-0.3 2,-0.4 -0.987 28.0-117.1-167.9 169.4 -0.3 34.7 29.0 62 62 A C E -EF 56 114A 0 52,-1.8 52,-2.3 -2,-0.3 2,-0.4 -0.989 33.7-159.8-116.5 125.0 2.9 36.1 30.6 63 63 A Q E +EF 55 113A 0 -8,-3.1 -8,-1.3 -2,-0.4 -9,-0.6 -0.910 25.6 132.2-114.0 135.4 6.0 36.0 28.3 64 64 A G E +EF 53 112A 0 48,-2.2 48,-2.0 -2,-0.4 -11,-0.2 -0.811 19.0 104.4-154.9-164.3 9.6 36.1 29.3 65 65 A G + 0 0 0 -13,-0.7 2,-1.6 46,-0.2 11,-0.2 0.468 41.8 131.1 97.8 -1.2 13.0 34.6 29.0 66 66 A D > + 0 0 1 -14,-0.5 4,-0.7 1,-0.2 -14,-0.3 -0.649 22.2 163.5 -86.6 85.2 14.8 37.0 26.7 67 67 A F T 4 + 0 0 28 -2,-1.6 -1,-0.2 1,-0.1 -20,-0.1 0.545 68.7 44.7 -82.6 -4.3 17.9 37.4 28.8 68 68 A T T 4 S+ 0 0 60 -3,-0.1 -1,-0.1 -17,-0.0 -2,-0.1 0.854 130.3 13.7-103.6 -47.3 20.0 38.9 26.0 69 69 A R T 4 S- 0 0 141 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.673 80.9-148.8-101.1 -25.4 17.9 41.6 24.3 70 70 A H S < S+ 0 0 85 -4,-0.7 -3,-0.1 1,-0.1 -4,-0.0 0.698 78.5 81.4 63.4 21.0 15.1 41.8 26.9 71 71 A N S S- 0 0 89 -7,-0.0 102,-0.1 -16,-0.0 -1,-0.1 0.377 112.1 -88.1-138.1 8.0 12.6 42.7 24.2 72 72 A G S S+ 0 0 0 100,-0.1 102,-0.1 -6,-0.1 39,-0.1 0.187 109.4 88.4 103.4 -15.2 11.4 39.5 22.5 73 73 A T S S+ 0 0 80 100,-0.1 99,-0.1 99,-0.1 2,-0.1 0.610 86.7 41.1 -93.2 -7.2 14.2 39.3 19.9 74 74 A G + 0 0 7 2,-0.0 36,-0.3 -8,-0.0 37,-0.3 -0.200 49.7 101.5-121.5-152.8 16.8 37.4 21.9 75 75 A G - 0 0 5 -9,-0.2 2,-0.3 34,-0.1 -9,-0.1 -0.147 42.2-140.5 93.2 165.5 17.8 34.6 24.3 76 76 A K - 0 0 83 -11,-0.2 5,-0.2 33,-0.1 33,-0.2 -0.980 11.5-113.3-158.2 158.0 19.3 31.3 23.5 77 77 A S B > -I 80 0B 1 3,-1.1 3,-0.7 4,-0.6 33,-0.1 -0.269 32.0-109.3 -85.8 178.7 19.1 27.7 24.6 78 78 A I T 3 S+ 0 0 36 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.406 117.0 59.5 -86.1 -0.8 21.8 25.6 26.4 79 79 A Y T 3 S- 0 0 89 1,-0.6 2,-0.3 30,-0.1 -1,-0.2 0.303 127.3 -73.0-107.5 6.7 22.2 23.6 23.1 80 80 A G B < S-I 77 0B 36 -3,-0.7 -3,-1.1 1,-0.2 -1,-0.6 -0.834 81.1 -39.6 128.0-168.2 23.2 26.5 21.0 81 81 A E S S+ 0 0 126 -2,-0.3 -4,-0.6 -5,-0.2 2,-0.3 0.896 121.4 2.0 -60.4 -44.7 21.1 29.4 19.6 82 82 A K - 0 0 116 -3,-0.2 2,-0.3 -6,-0.2 27,-0.2 -0.947 61.8-160.8-142.6 158.4 18.0 27.3 18.8 83 83 A F B -J 108 0C 7 25,-1.8 25,-2.1 -2,-0.3 3,-0.1 -0.945 29.1 -87.6-140.3 162.2 16.7 23.7 19.1 84 84 A E - 0 0 90 -2,-0.3 2,-0.8 23,-0.2 3,-0.1 -0.128 45.3 -94.9 -63.9 159.6 14.0 21.4 17.5 85 85 A D - 0 0 25 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.722 37.7-157.1 -76.8 110.5 10.4 20.9 18.7 86 86 A E - 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