==== 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 26-MAY-98 1CWK . 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) . 7824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 64.8 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 . 15 8.5 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 . 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 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 0 191 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.6 14.2 9.5 39.2 2 2 A V - 0 0 99 163,-0.2 3,-0.1 3,-0.0 163,-0.0 -0.923 360.0 -93.0-141.7 149.7 11.6 12.3 39.8 3 3 A N - 0 0 23 -2,-0.3 22,-0.1 1,-0.1 2,-0.0 -0.516 51.2-106.5 -66.8 136.9 10.8 15.2 37.5 4 4 A P - 0 0 15 0, 0.0 20,-2.4 0, 0.0 2,-0.5 -0.354 26.1-150.8 -67.6 146.3 12.8 18.3 38.5 5 5 A T E -A 23 0A 4 18,-0.2 159,-2.9 -3,-0.1 160,-1.6 -0.982 17.5-179.9-112.2 130.3 11.2 21.2 40.3 6 6 A V E -AB 22 163A 0 16,-1.9 16,-2.9 -2,-0.5 2,-0.3 -0.849 10.2-151.2-125.1 161.8 12.6 24.7 39.7 7 7 A F E -AB 21 162A 22 155,-2.4 155,-1.6 -2,-0.3 2,-0.4 -0.952 7.1-155.5-131.8 158.6 11.5 28.0 41.2 8 8 A F E -AB 20 161A 0 12,-2.5 12,-2.5 -2,-0.3 2,-0.6 -0.992 10.0-149.2-128.7 133.3 11.5 31.7 40.3 9 9 A D E -AB 19 160A 35 151,-2.9 150,-1.9 -2,-0.4 151,-1.2 -0.949 24.1-152.0 -94.8 123.8 11.3 34.5 42.8 10 10 A I E -AB 18 158A 2 8,-3.0 7,-3.2 -2,-0.6 8,-1.0 -0.794 12.6-170.0-101.4 138.7 9.5 37.3 41.0 11 11 A A E -AB 16 157A 4 146,-2.5 146,-2.4 -2,-0.3 2,-0.5 -0.942 14.5-147.1-125.7 150.8 10.0 41.1 41.8 12 12 A V E > S-AB 15 156A 15 3,-3.0 3,-2.7 -2,-0.3 144,-0.2 -0.983 86.4 -22.3-119.2 117.2 8.0 44.1 40.6 13 13 A D T 3 S- 0 0 94 142,-2.9 -1,-0.2 -2,-0.5 143,-0.1 0.894 130.7 -49.1 39.8 48.7 10.2 47.1 40.1 14 14 A G T 3 S+ 0 0 63 141,-0.3 -1,-0.3 1,-0.2 142,-0.1 0.245 114.2 117.0 84.0 -10.4 12.6 45.6 42.5 15 15 A E E < S-A 12 0A 148 -3,-2.7 -3,-3.0 1,-0.1 -1,-0.2 -0.792 71.5-112.8 -92.9 126.8 10.1 44.7 45.2 16 16 A P E +A 11 0A 122 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.297 34.5 176.2 -57.8 131.8 9.7 40.9 45.9 17 17 A L E - 0 0 59 -7,-3.2 2,-0.3 1,-0.3 -6,-0.2 0.807 48.4 -84.8-101.2 -59.3 6.3 39.5 44.9 18 18 A G E -A 10 0A 24 -8,-1.0 -8,-3.0 120,-0.0 2,-0.4 -0.982 41.9 -67.4 170.4-175.5 6.7 35.8 45.6 19 19 A R E -A 9 0A 130 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.848 27.8-169.5-107.8 135.6 7.8 32.4 44.5 20 20 A V E -A 8 0A 1 -12,-2.5 -12,-2.5 -2,-0.4 2,-0.4 -0.976 11.8-162.1-117.3 130.8 6.4 30.2 41.6 21 21 A S E -AC 7 134A 9 113,-2.5 112,-3.1 -2,-0.4 113,-1.2 -0.896 4.5-158.3-116.2 153.2 7.7 26.7 41.4 22 22 A F E -AC 6 132A 0 -16,-2.9 -16,-1.9 -2,-0.4 2,-0.5 -0.960 14.5-142.1-132.0 143.3 7.4 24.5 38.3 23 23 A E E -AC 5 131A 44 108,-2.6 108,-1.9 -2,-0.4 2,-0.5 -0.919 22.0-149.2-100.4 131.7 7.5 20.8 37.6 24 24 A L E - C 0 130A 0 -20,-2.4 2,-2.2 -2,-0.5 3,-0.3 -0.881 13.1-132.3-104.9 133.7 9.3 20.0 34.4 25 25 A F >> + 0 0 28 104,-2.7 4,-3.0 -2,-0.5 3,-1.3 -0.371 44.1 154.9 -86.6 66.5 8.1 17.0 32.5 26 26 A A T 34 + 0 0 17 -2,-2.2 -1,-0.2 1,-0.3 8,-0.1 0.789 69.2 64.4 -65.4 -26.1 11.6 15.4 31.9 27 27 A D T 34 S+ 0 0 84 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.825 116.9 26.9 -65.2 -29.3 9.9 12.0 31.6 28 28 A K T <4 S+ 0 0 85 -3,-1.3 -2,-0.2 1,-0.2 -1,-0.1 0.753 139.1 19.4-104.4 -34.2 8.1 13.3 28.4 29 29 A V X + 0 0 0 -4,-3.0 4,-2.8 100,-0.2 5,-0.3 -0.541 70.0 168.5-134.9 69.6 10.3 16.0 26.9 30 30 A P H > S+ 0 0 71 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.877 75.9 47.4 -55.1 -43.5 13.8 15.4 28.5 31 31 A K H > S+ 0 0 57 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.925 115.8 43.1 -67.9 -44.0 15.7 17.7 26.2 32 32 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.921 114.9 50.2 -69.2 -42.1 13.3 20.7 26.6 33 33 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.939 110.7 50.8 -60.3 -43.5 13.0 20.1 30.4 34 34 A E H X S+ 0 0 65 -4,-2.4 4,-2.9 -5,-0.3 5,-0.3 0.894 106.0 54.8 -63.3 -42.3 16.8 20.0 30.7 35 35 A N H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.955 112.4 42.7 -53.4 -51.8 17.2 23.3 28.8 36 36 A F H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.893 114.4 51.4 -66.0 -40.4 14.9 25.1 31.2 37 37 A R H X S+ 0 0 28 -4,-2.6 4,-1.7 2,-0.2 3,-0.3 0.960 111.9 45.1 -62.3 -49.6 16.4 23.4 34.3 38 38 A A H X>S+ 0 0 1 -4,-2.9 4,-1.2 1,-0.2 5,-0.7 0.878 112.1 52.4 -67.1 -32.4 20.0 24.4 33.4 39 39 A L H <5S+ 0 0 1 -4,-2.2 9,-1.9 -5,-0.3 10,-0.5 0.840 108.6 52.7 -70.8 -25.6 19.0 28.0 32.5 40 40 A S H <5S+ 0 0 1 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.786 113.0 41.2 -80.2 -31.1 17.3 28.2 35.9 41 41 A T H <5S- 0 0 50 -4,-1.7 -1,-0.2 121,-0.2 -2,-0.2 0.649 99.1-137.7 -83.2 -18.5 20.4 27.1 37.8 42 42 A G T ><5 + 0 0 29 -4,-1.2 3,-2.3 -5,-0.2 4,-0.2 0.612 53.9 145.5 72.5 17.4 22.6 29.2 35.6 43 43 A E T 3 < + 0 0 99 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.706 62.2 57.9 -66.4 -18.4 25.1 26.3 35.6 44 44 A K T 3 S- 0 0 109 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.399 126.5 -96.2 -87.4 2.0 26.3 26.9 32.0 45 45 A G S < S+ 0 0 73 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.585 103.2 57.5 95.7 11.5 27.4 30.4 32.9 46 46 A F + 0 0 59 -4,-0.2 -2,-0.5 -8,-0.2 2,-0.3 -0.968 59.4 119.4-159.0 160.4 24.1 32.1 31.7 47 47 A G - 0 0 13 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.994 66.8 -47.3 168.4-161.7 20.4 31.8 32.4 48 48 A Y S > S+ 0 0 0 -9,-1.9 3,-2.5 -2,-0.3 110,-0.3 0.633 79.8 118.1 -76.7 -22.2 17.2 33.4 33.6 49 49 A K T 3 S+ 0 0 130 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.308 87.9 9.3 -59.1 125.0 18.4 35.1 36.8 50 50 A G T 3 S+ 0 0 48 108,-3.1 -1,-0.3 1,-0.3 109,-0.1 0.380 101.3 120.4 89.5 -1.1 17.9 38.8 36.5 51 51 A S < - 0 0 0 -3,-2.5 107,-2.6 107,-0.3 -1,-0.3 -0.419 52.9-128.3 -90.5 174.0 15.9 38.7 33.3 52 52 A C B -D 157 0A 10 14,-0.4 2,-0.9 105,-0.2 13,-0.6 -0.712 16.1-111.4-122.3 167.3 12.3 40.0 32.8 53 53 A F E -E 64 0A 1 103,-2.5 103,-0.5 -2,-0.2 11,-0.3 -0.874 37.8-177.1 -90.2 108.7 8.9 39.0 31.6 54 54 A H E + 0 0 40 -2,-0.9 2,-0.4 9,-0.7 98,-0.2 0.578 62.6 35.0 -88.9 -10.9 8.7 41.3 28.6 55 55 A R E +E 63 0A 16 8,-1.4 8,-3.1 96,-0.1 2,-0.4 -0.955 59.2 169.6-149.0 116.2 5.2 40.6 27.4 56 56 A I E -E 62 0A 0 94,-2.1 91,-1.9 -2,-0.4 94,-0.3 -0.992 7.8-175.0-129.7 123.7 2.2 39.8 29.5 57 57 A I E >> -E 61 0A 10 4,-2.6 3,-2.0 -2,-0.4 4,-1.3 -0.971 31.3-122.1-121.0 109.9 -1.3 39.8 28.0 58 58 A P T 34 S+ 0 0 60 0, 0.0 82,-0.0 0, 0.0 86,-0.0 -0.224 96.5 19.0 -51.7 139.8 -4.0 39.3 30.8 59 59 A G T 34 S+ 0 0 53 1,-0.1 56,-0.0 57,-0.0 84,-0.0 0.425 128.0 53.7 76.7 -1.4 -6.2 36.2 30.2 60 60 A F T <4 S- 0 0 4 -3,-2.0 56,-2.8 1,-0.2 57,-0.8 0.586 104.3 -54.4-124.2 -72.8 -3.6 34.7 27.9 61 61 A M E < -EF 57 115A 0 -4,-1.3 -4,-2.6 54,-0.3 2,-0.4 -0.979 27.5-118.5-170.0 166.2 0.0 34.3 29.1 62 62 A C E -EF 56 114A 0 52,-1.6 52,-2.5 -2,-0.3 2,-0.4 -0.993 33.9-159.8-115.0 124.1 3.2 35.8 30.6 63 63 A Q E +EF 55 113A 0 -8,-3.1 -8,-1.4 -2,-0.4 -9,-0.7 -0.913 24.8 136.2-113.6 138.1 6.3 35.5 28.3 64 64 A G E +EF 53 112A 0 48,-2.2 48,-1.8 -2,-0.4 -11,-0.2 -0.770 17.6 108.0-153.5-165.5 9.9 35.7 29.4 65 65 A G + 0 0 0 -13,-0.6 2,-1.5 46,-0.3 11,-0.2 0.475 40.0 131.0 101.3 3.2 13.4 34.2 28.9 66 66 A D + 0 0 2 -14,-0.5 -14,-0.4 1,-0.2 9,-0.2 -0.650 16.4 154.7 -88.2 87.9 15.3 36.8 26.9 67 67 A F + 0 0 24 -2,-1.5 -1,-0.2 -16,-0.1 -20,-0.1 0.490 66.2 50.7 -92.4 -3.2 18.4 37.0 29.0 68 68 A T S S+ 0 0 57 -3,-0.1 -2,-0.1 -22,-0.0 -1,-0.0 0.846 128.2 12.3 -95.9 -65.1 20.8 38.2 26.1 69 69 A R S S- 0 0 152 1,-0.1 2,-0.5 0, 0.0 -2,-0.1 0.663 85.7-152.2 -83.5 -15.8 19.1 41.1 24.4 70 70 A H S S+ 0 0 86 -4,-0.2 -4,-0.2 1,-0.1 -18,-0.2 0.153 73.7 88.3 60.5 -10.4 16.5 41.5 27.3 71 71 A N S S- 0 0 92 -2,-0.5 -1,-0.1 1,-0.0 -4,-0.1 0.228 110.7 -90.1 -99.1 10.8 13.9 43.0 24.9 72 72 A G S S+ 0 0 3 -6,-0.1 101,-0.4 100,-0.1 -5,-0.1 0.367 110.7 86.9 95.0 -8.5 12.1 39.9 23.5 73 73 A T S S+ 0 0 61 99,-0.1 99,-0.1 -7,-0.1 2,-0.1 0.615 85.7 46.9 -99.8 -9.0 14.3 39.3 20.5 74 74 A G + 0 0 13 -8,-0.1 36,-0.3 2,-0.0 37,-0.2 -0.114 45.1 116.1-115.2-148.9 17.1 37.1 22.1 75 75 A G - 0 0 5 -9,-0.2 2,-0.3 34,-0.1 -9,-0.1 -0.217 38.1-147.0 99.8 157.0 17.9 34.2 24.4 76 76 A K - 0 0 78 -11,-0.2 5,-0.2 33,-0.2 6,-0.2 -0.983 13.6-114.8-152.8 160.9 19.7 31.0 23.5 77 77 A S B > -I 80 0B 1 3,-1.2 3,-0.7 4,-0.8 33,-0.1 -0.345 29.4-109.5 -89.9-179.5 19.5 27.4 24.6 78 78 A I T 3 S+ 0 0 31 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.341 116.2 61.6 -83.4 -2.3 22.1 25.3 26.3 79 79 A Y T 3 S- 0 0 87 1,-0.6 2,-0.3 30,-0.1 -1,-0.2 0.202 127.5 -76.1-106.1 15.4 22.5 23.3 23.1 80 80 A G B < S-I 77 0B 41 -3,-0.7 -3,-1.2 1,-0.2 -1,-0.6 -0.801 82.8 -37.4 110.3-167.8 23.6 26.3 21.0 81 81 A E S S+ 0 0 114 -2,-0.3 -4,-0.8 -5,-0.2 2,-0.3 0.937 120.3 0.6 -64.0 -48.8 21.3 29.0 19.6 82 82 A K - 0 0 118 -3,-0.2 2,-0.3 -6,-0.2 27,-0.2 -0.900 61.2-165.0-137.4 158.0 18.1 27.0 18.7 83 83 A F B -J 108 0C 8 25,-1.7 25,-2.4 -2,-0.3 3,-0.1 -0.937 29.3 -84.3-143.9 167.9 17.0 23.4 18.9 84 84 A E - 0 0 87 -2,-0.3 2,-0.8 23,-0.2 3,-0.1 -0.134 44.4 -93.2 -67.7 161.6 14.2 21.2 17.5 85 85 A D - 0 0 25 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.705 37.2-158.9 -77.1 113.9 10.6 20.6 18.6 86 86 A E - 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