==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/IMMUNOSUPPRESSANT 25-MAY-98 1CWJ . 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) . 7759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 64.2 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 . 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 . 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 . 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 . 2 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 0 180 0, 0.0 2,-0.3 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 138.6 13.5 9.7 38.7 2 2 A V - 0 0 99 163,-0.1 163,-0.0 0, 0.0 24,-0.0 -0.943 360.0-105.1-140.3 145.1 11.4 12.6 39.9 3 3 A N - 0 0 22 -2,-0.3 22,-0.1 1,-0.1 2,-0.1 -0.541 43.8-105.7 -69.5 143.9 10.8 15.6 37.7 4 4 A P - 0 0 17 0, 0.0 20,-2.2 0, 0.0 2,-0.4 -0.405 24.8-150.7 -68.6 147.9 12.7 18.7 38.7 5 5 A T E +A 23 0A 5 18,-0.2 159,-3.0 -2,-0.1 160,-1.6 -0.986 18.0 179.7-114.1 132.1 11.1 21.6 40.4 6 6 A V E -AB 22 163A 0 16,-1.8 16,-2.7 -2,-0.4 2,-0.3 -0.843 10.1-151.3-124.9 163.4 12.6 25.1 39.8 7 7 A F E -AB 21 162A 21 155,-2.3 155,-1.6 -2,-0.3 2,-0.4 -0.956 8.4-156.5-135.1 158.3 11.4 28.4 41.2 8 8 A F E -AB 20 161A 0 12,-2.3 12,-2.6 -2,-0.3 2,-0.6 -0.988 11.0-148.4-128.3 139.4 11.4 32.1 40.3 9 9 A D E -AB 19 160A 34 151,-3.1 150,-2.3 -2,-0.4 151,-1.2 -0.958 23.6-150.5-102.9 124.5 11.2 34.9 42.8 10 10 A I E -AB 18 158A 3 8,-2.9 7,-3.2 -2,-0.6 8,-1.0 -0.756 13.4-171.4-100.6 138.6 9.3 37.8 41.0 11 11 A A E -AB 16 157A 4 146,-2.2 146,-2.4 -2,-0.3 2,-0.5 -0.932 14.6-147.6-125.8 153.0 9.9 41.5 41.8 12 12 A V E > S-AB 15 156A 13 3,-2.8 3,-2.8 -2,-0.3 144,-0.2 -0.987 85.4 -22.2-121.9 117.7 7.9 44.5 40.6 13 13 A D T 3 S- 0 0 91 142,-2.8 -1,-0.2 -2,-0.5 143,-0.1 0.892 130.5 -49.5 40.2 44.3 10.1 47.6 40.2 14 14 A G T 3 S+ 0 0 62 141,-0.4 -1,-0.3 1,-0.2 142,-0.1 0.224 114.5 117.6 87.0 -11.9 12.5 46.0 42.6 15 15 A E E < S-A 12 0A 140 -3,-2.8 -3,-2.8 1,-0.1 -1,-0.2 -0.743 70.5-115.3 -89.2 125.9 9.9 45.2 45.3 16 16 A P E +A 11 0A 113 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.344 33.0 177.8 -59.9 135.4 9.5 41.4 45.9 17 17 A L E - 0 0 63 -7,-3.2 2,-0.3 1,-0.3 -6,-0.2 0.806 47.6 -87.7-103.7 -59.1 6.2 39.9 45.0 18 18 A G E -A 10 0A 22 -8,-1.0 -8,-2.9 120,-0.0 2,-0.4 -0.984 42.6 -62.7 168.8-173.2 6.7 36.2 45.8 19 19 A R E -A 9 0A 126 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.834 28.8-169.1-107.0 135.0 7.8 32.8 44.6 20 20 A V E -A 8 0A 2 -12,-2.6 -12,-2.3 -2,-0.4 2,-0.4 -0.972 12.0-163.8-115.3 128.5 6.4 30.7 41.7 21 21 A S E -AC 7 134A 11 113,-2.3 112,-3.0 -2,-0.5 113,-1.4 -0.908 3.3-159.4-112.9 157.0 7.6 27.1 41.5 22 22 A F E -AC 6 132A 0 -16,-2.7 -16,-1.8 -2,-0.4 2,-0.5 -0.949 15.4-141.0-134.6 143.7 7.3 24.9 38.5 23 23 A E E -AC 5 131A 43 108,-2.7 108,-1.9 -2,-0.4 2,-0.5 -0.887 22.6-150.0 -99.3 135.1 7.3 21.2 37.8 24 24 A L E - C 0 130A 0 -20,-2.2 2,-2.1 -2,-0.5 3,-0.3 -0.908 12.9-132.7-109.4 132.2 9.2 20.4 34.6 25 25 A F >> + 0 0 28 104,-2.8 4,-2.9 -2,-0.5 3,-1.7 -0.366 42.7 156.1 -86.6 68.7 8.1 17.3 32.7 26 26 A A T 34 + 0 0 19 -2,-2.1 -1,-0.2 1,-0.3 8,-0.1 0.768 69.4 65.3 -65.8 -22.4 11.5 15.7 32.0 27 27 A D T 34 S+ 0 0 81 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.762 116.0 26.3 -71.0 -22.5 9.9 12.4 31.7 28 28 A K T <4 S+ 0 0 84 -3,-1.7 -2,-0.2 1,-0.1 -1,-0.1 0.738 139.0 21.1-108.9 -35.8 8.0 13.5 28.6 29 29 A V X + 0 0 0 -4,-2.9 4,-2.5 100,-0.1 5,-0.3 -0.550 69.8 168.2-131.8 71.9 10.2 16.2 27.1 30 30 A P H > S+ 0 0 74 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.892 75.6 46.9 -55.6 -45.8 13.7 15.6 28.6 31 31 A K H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.900 115.5 43.6 -67.6 -40.8 15.6 18.0 26.4 32 32 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 114.5 50.0 -71.4 -41.9 13.3 21.0 26.7 33 33 A A H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.946 110.9 51.1 -61.9 -43.0 12.9 20.5 30.5 34 34 A E H X S+ 0 0 65 -4,-2.5 4,-2.9 -5,-0.3 5,-0.3 0.917 106.1 54.1 -59.8 -44.7 16.8 20.3 30.8 35 35 A N H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.941 112.8 42.5 -55.7 -52.6 17.2 23.5 28.9 36 36 A F H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.895 114.0 52.2 -62.3 -41.2 14.8 25.4 31.3 37 37 A R H X S+ 0 0 27 -4,-2.6 4,-1.6 2,-0.2 3,-0.3 0.957 111.3 45.3 -61.4 -50.3 16.3 23.8 34.4 38 38 A A H X>S+ 0 0 1 -4,-2.9 4,-1.5 1,-0.2 5,-0.8 0.870 111.8 52.2 -65.4 -33.2 19.9 24.7 33.5 39 39 A L H <5S+ 0 0 1 -4,-1.9 9,-1.9 -5,-0.3 10,-0.5 0.833 108.0 53.6 -71.9 -26.5 18.9 28.3 32.6 40 40 A S H <5S+ 0 0 2 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.832 113.7 39.7 -76.6 -32.9 17.2 28.6 36.0 41 41 A T H <5S- 0 0 55 -4,-1.6 -2,-0.2 121,-0.2 -1,-0.2 0.696 99.7-137.4 -83.8 -19.7 20.3 27.6 37.9 42 42 A G T ><5 + 0 0 29 -4,-1.5 3,-2.1 -5,-0.2 -3,-0.2 0.616 53.5 146.1 73.2 20.3 22.6 29.6 35.6 43 43 A E T 3 < + 0 0 100 -5,-0.8 -4,-0.1 1,-0.3 4,-0.1 0.679 62.3 56.8 -68.3 -17.3 25.0 26.7 35.7 44 44 A K T 3 S- 0 0 107 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.379 126.9 -95.4 -90.1 2.8 26.2 27.2 32.0 45 45 A G S < S+ 0 0 70 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.522 102.2 57.7 97.8 8.4 27.2 30.7 32.9 46 46 A F + 0 0 57 -8,-0.2 -2,-0.5 -4,-0.1 2,-0.3 -0.973 59.2 119.3-160.0 158.9 24.0 32.5 31.7 47 47 A G - 0 0 14 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.996 65.2 -46.8 170.2-162.4 20.3 32.2 32.4 48 48 A Y S > S+ 0 0 0 -9,-1.9 3,-2.6 -2,-0.3 110,-0.3 0.698 80.0 115.6 -76.1 -22.8 17.1 33.8 33.6 49 49 A K T 3 S+ 0 0 132 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.268 88.9 10.5 -57.2 128.8 18.2 35.5 36.9 50 50 A G T 3 S+ 0 0 51 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.319 102.3 121.2 86.3 -6.2 17.8 39.3 36.6 51 51 A S < - 0 0 1 -3,-2.6 107,-3.0 107,-0.2 -1,-0.3 -0.351 53.0-129.9 -87.4 170.5 15.8 39.0 33.3 52 52 A C B -D 157 0A 9 14,-0.4 2,-0.9 105,-0.2 13,-0.7 -0.692 15.7-112.9-121.9 169.6 12.3 40.3 32.8 53 53 A F E -E 64 0A 2 103,-2.2 103,-0.4 -2,-0.2 11,-0.3 -0.903 37.7-178.2 -93.0 109.1 8.8 39.4 31.6 54 54 A H E + 0 0 38 -2,-0.9 2,-0.4 9,-0.7 98,-0.3 0.599 62.0 36.9 -90.9 -14.2 8.7 41.6 28.6 55 55 A R E +E 63 0A 18 8,-1.4 8,-3.1 96,-0.1 2,-0.4 -0.959 58.9 168.6-143.9 116.8 5.2 40.9 27.4 56 56 A I E -E 62 0A 0 94,-2.3 91,-2.0 -2,-0.4 94,-0.3 -0.990 8.2-175.2-130.6 122.7 2.1 40.2 29.5 57 57 A I E >> -E 61 0A 13 4,-2.5 3,-2.0 -2,-0.4 4,-1.3 -0.971 32.9-120.1-119.3 110.3 -1.4 40.1 28.0 58 58 A P T 34 S+ 0 0 60 0, 0.0 82,-0.0 0, 0.0 86,-0.0 -0.248 96.3 16.1 -54.9 139.4 -4.1 39.7 30.8 59 59 A G T 34 S+ 0 0 51 1,-0.1 56,-0.0 57,-0.0 84,-0.0 0.457 127.5 55.9 74.9 4.5 -6.2 36.5 30.3 60 60 A F T <4 S- 0 0 4 -3,-2.0 56,-2.6 1,-0.2 57,-0.7 0.550 104.8 -55.6-125.7 -72.3 -3.7 35.0 27.8 61 61 A M E < -EF 57 115A 0 -4,-1.3 -4,-2.5 54,-0.3 2,-0.4 -0.988 27.0-117.0-170.7 166.7 -0.1 34.7 29.1 62 62 A C E -EF 56 114A 0 52,-1.8 52,-2.5 -2,-0.3 2,-0.4 -0.979 34.6-161.5-114.8 124.8 3.1 36.1 30.7 63 63 A Q E +EF 55 113A 1 -8,-3.1 -8,-1.4 -2,-0.4 -9,-0.7 -0.929 24.4 134.0-114.7 136.3 6.2 35.8 28.3 64 64 A G E +EF 53 112A 0 48,-2.2 48,-2.2 -2,-0.4 -11,-0.2 -0.793 16.8 110.1-153.4-163.0 9.8 36.1 29.4 65 65 A G + 0 0 0 -13,-0.7 2,-1.5 46,-0.3 11,-0.2 0.482 39.6 131.7 101.9 4.5 13.3 34.5 29.0 66 66 A D + 0 0 2 -14,-0.5 4,-0.4 1,-0.2 -14,-0.4 -0.642 16.8 158.1 -87.7 87.3 15.2 37.1 26.9 67 67 A F + 0 0 27 -2,-1.5 -1,-0.2 2,-0.1 -20,-0.1 0.454 68.1 48.7 -88.7 0.4 18.4 37.3 29.0 68 68 A T S S+ 0 0 55 -3,-0.1 -2,-0.1 -17,-0.0 -1,-0.1 0.815 128.0 13.5-102.1 -58.7 20.6 38.7 26.1 69 69 A R S S- 0 0 146 1,-0.1 -2,-0.1 0, 0.0 -3,-0.1 0.676 83.7-150.1 -90.3 -16.7 18.7 41.6 24.5 70 70 A H S S+ 0 0 89 -4,-0.4 -4,-0.1 1,-0.1 -18,-0.1 0.368 75.7 86.2 61.8 2.2 16.1 42.0 27.3 71 71 A N S S- 0 0 92 -17,-0.0 -1,-0.1 0, 0.0 -4,-0.1 0.225 110.6 -88.9-119.9 11.8 13.5 43.2 24.8 72 72 A G S S+ 0 0 3 -6,-0.1 101,-0.4 100,-0.1 -2,-0.1 0.270 110.2 86.8 99.1 -14.6 11.8 40.1 23.3 73 73 A T S S+ 0 0 60 99,-0.1 2,-0.1 -7,-0.1 99,-0.0 0.681 86.2 40.1 -94.8 -13.7 14.2 39.6 20.4 74 74 A G + 0 0 14 -8,-0.1 36,-0.3 2,-0.0 37,-0.2 -0.123 45.6 112.2-117.6-151.6 17.0 37.4 22.1 75 75 A G - 0 0 5 -9,-0.2 2,-0.3 34,-0.1 -9,-0.1 -0.329 40.1-143.9 104.1 167.4 17.9 34.6 24.5 76 76 A K - 0 0 78 -11,-0.2 5,-0.2 -2,-0.1 6,-0.2 -0.981 13.1-109.1-159.0 162.5 19.5 31.2 23.5 77 77 A S - 0 0 2 3,-0.9 3,-0.5 4,-0.9 33,-0.1 -0.258 29.5-111.9 -86.0 178.6 19.4 27.7 24.5 78 78 A I S S+ 0 0 32 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.317 115.4 59.7 -84.4 0.7 22.0 25.6 26.3 79 79 A Y S S- 0 0 86 1,-0.5 2,-0.3 30,-0.1 -1,-0.2 0.435 128.7 -68.4-108.6 1.3 22.4 23.6 23.1 80 80 A G S S- 0 0 43 -3,-0.5 -3,-0.9 1,-0.1 -1,-0.5 -0.926 82.4 -46.5 132.5-160.0 23.4 26.4 20.8 81 81 A E S S+ 0 0 106 -2,-0.3 -4,-0.9 -5,-0.2 2,-0.3 0.949 120.9 6.4 -73.0 -42.6 21.1 29.3 19.7 82 82 A K - 0 0 110 -6,-0.2 2,-0.3 -3,-0.1 27,-0.2 -0.903 63.2-165.9-138.1 154.1 18.1 27.2 18.8 83 83 A F B -I 108 0B 8 25,-1.6 25,-2.2 -2,-0.3 3,-0.1 -0.934 30.0 -84.0-143.2 166.5 16.8 23.6 19.0 84 84 A E - 0 0 88 -2,-0.3 2,-0.8 23,-0.2 3,-0.1 -0.125 44.4 -94.8 -64.6 160.9 14.2 21.4 17.6 85 85 A D - 0 0 25 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.728 38.1-159.0 -78.9 113.7 10.5 20.8 18.7 86 86 A E - 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