==== 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 07-MAY-98 1CWH . 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) . 7856.0 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 . 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 . 1 0.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 16 9.1 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 0 167 0, 0.0 2,-0.1 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 162.3 38.2 21.2 48.0 2 2 A V - 0 0 130 1,-0.2 23,-0.0 24,-0.1 24,-0.0 -0.473 360.0 -78.5 -55.9 128.9 36.7 24.8 48.1 3 3 A N - 0 0 38 -2,-0.1 -1,-0.2 1,-0.1 22,-0.1 -0.161 48.5-140.2 -65.1 115.1 37.8 25.8 44.6 4 4 A P - 0 0 8 0, 0.0 20,-2.5 0, 0.0 2,-0.4 -0.191 7.5-146.7 -60.8 153.9 41.3 26.7 44.2 5 5 A T E -A 23 0A 10 18,-0.2 159,-3.3 16,-0.0 160,-1.0 -0.994 15.8-173.9-128.4 133.0 42.4 29.6 41.9 6 6 A V E -AB 22 163A 0 16,-1.7 16,-2.7 -2,-0.4 2,-0.3 -0.864 8.2-150.2-124.4 153.5 45.6 29.4 40.0 7 7 A F E -AB 21 162A 17 155,-2.6 155,-1.6 -2,-0.3 2,-0.4 -0.946 6.1-161.9-127.3 155.8 47.3 32.2 37.9 8 8 A F E -AB 20 161A 0 12,-3.0 12,-2.5 -2,-0.3 2,-0.6 -0.996 10.9-150.7-128.8 133.1 49.5 32.1 34.9 9 9 A D E -AB 19 160A 36 151,-2.7 150,-2.2 -2,-0.4 151,-1.2 -0.955 22.7-150.7-101.9 117.2 51.6 35.2 34.0 10 10 A I E -AB 18 158A 4 8,-3.1 7,-2.5 -2,-0.6 8,-1.6 -0.683 14.8-173.7 -90.6 143.3 52.0 35.0 30.2 11 11 A A E -AB 16 157A 5 146,-2.1 146,-2.2 -2,-0.3 2,-0.5 -0.948 15.7-147.8-131.1 152.7 55.0 36.4 28.3 12 12 A V E > S-AB 15 156A 13 3,-3.5 3,-2.1 -2,-0.3 144,-0.2 -0.990 86.2 -23.3-121.6 116.3 55.5 36.7 24.5 13 13 A D T 3 S- 0 0 99 142,-3.1 2,-0.2 -2,-0.5 -1,-0.2 0.893 128.0 -53.0 48.9 40.7 59.2 36.4 23.6 14 14 A G T 3 S+ 0 0 58 141,-0.3 -1,-0.3 1,-0.2 142,-0.0 0.065 114.7 116.4 85.4 -31.6 60.0 37.4 27.1 15 15 A E E < S-A 12 0A 149 -3,-2.1 -3,-3.5 -2,-0.2 -1,-0.2 -0.562 71.9-115.8 -71.8 126.4 57.8 40.6 27.0 16 16 A P E +A 11 0A 106 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.277 33.6 177.6 -56.5 147.7 55.0 40.3 29.6 17 17 A L E - 0 0 62 -7,-2.5 2,-0.3 1,-0.3 -6,-0.2 0.591 47.2 -98.0-123.6 -35.5 51.5 40.2 28.4 18 18 A G E -A 10 0A 27 -8,-1.6 -8,-3.1 2,-0.0 2,-0.4 -0.880 39.8 -55.8 144.2-175.0 49.6 39.8 31.6 19 19 A R E -A 9 0A 112 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.878 26.9-172.1-117.1 137.3 47.9 37.3 34.0 20 20 A V E -A 8 0A 2 -12,-2.5 -12,-3.0 -2,-0.4 2,-0.4 -0.948 13.1-163.5-117.3 136.0 45.1 34.9 33.5 21 21 A S E -AC 7 134A 9 113,-2.6 112,-3.4 -2,-0.4 113,-1.2 -0.947 4.3-153.8-124.0 152.2 43.7 33.2 36.6 22 22 A F E -AC 6 132A 0 -16,-2.7 -16,-1.7 -2,-0.4 2,-0.6 -0.920 14.5-138.8-127.2 142.0 41.6 30.0 36.6 23 23 A E E -AC 5 131A 36 108,-2.9 108,-1.5 -2,-0.4 2,-0.5 -0.922 24.5-148.1 -95.9 126.0 39.0 28.6 38.9 24 24 A L E - C 0 130A 0 -20,-2.5 2,-2.7 -2,-0.6 106,-0.3 -0.813 11.3-134.6 -95.3 122.2 39.7 24.8 39.2 25 25 A F >> + 0 0 30 104,-1.8 3,-2.6 -2,-0.5 4,-2.2 -0.239 42.2 157.7 -74.6 61.5 36.4 22.8 39.7 26 26 A A T 34 + 0 0 10 -2,-2.7 -1,-0.2 1,-0.3 -24,-0.1 0.485 66.5 69.5 -64.7 -1.9 37.9 20.5 42.5 27 27 A D T 34 S+ 0 0 84 2,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.371 113.5 23.5 -93.7 -9.6 34.3 20.0 43.6 28 28 A K T <4 S+ 0 0 96 -3,-2.6 -2,-0.2 101,-0.1 61,-0.1 0.565 138.0 24.0-122.7 -30.9 33.5 17.9 40.5 29 29 A V X + 0 0 0 -4,-2.2 4,-2.7 100,-0.1 5,-0.3 -0.609 68.3 167.1-134.0 72.9 36.9 16.5 39.3 30 30 A P H > S+ 0 0 70 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.852 75.9 47.7 -59.9 -38.4 39.1 16.5 42.4 31 31 A K H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.930 115.3 44.0 -72.9 -41.6 41.9 14.4 41.0 32 32 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 114.5 49.3 -70.9 -43.7 42.1 16.4 37.7 33 33 A A H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.903 111.7 51.5 -59.9 -38.5 42.0 19.8 39.4 34 34 A E H X S+ 0 0 67 -4,-1.7 4,-2.5 -5,-0.3 5,-0.3 0.900 105.2 52.5 -73.7 -40.3 44.6 18.7 41.8 35 35 A N H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.968 113.9 44.3 -54.4 -49.8 47.0 17.5 39.1 36 36 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.931 112.8 53.2 -63.9 -41.9 46.7 21.0 37.4 37 37 A R H X S+ 0 0 31 -4,-2.8 4,-2.0 1,-0.2 3,-0.3 0.965 111.4 43.9 -58.0 -52.7 47.0 22.9 40.8 38 38 A A H X>S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 5,-0.8 0.847 111.5 52.7 -68.0 -29.2 50.2 21.1 41.8 39 39 A L H <5S+ 0 0 0 -4,-1.9 9,-1.8 -5,-0.3 10,-0.5 0.842 109.0 52.3 -73.7 -29.5 51.8 21.5 38.3 40 40 A S H <5S+ 0 0 2 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.859 114.5 40.9 -71.5 -34.5 51.1 25.2 38.6 41 41 A T H <5S- 0 0 50 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.705 97.4-141.3 -84.6 -19.3 52.8 25.5 42.0 42 42 A G T ><5 + 0 0 29 -4,-1.7 3,-1.9 -5,-0.2 -3,-0.2 0.683 52.4 144.3 70.8 18.6 55.7 23.2 40.9 43 43 A E T 3 < + 0 0 95 -5,-0.8 -4,-0.1 1,-0.3 4,-0.1 0.845 63.2 57.7 -67.9 -26.2 55.5 21.7 44.4 44 44 A K T 3 S- 0 0 110 -6,-0.5 -1,-0.3 2,-0.4 3,-0.1 0.366 126.7-101.9 -82.8 11.8 56.4 18.1 43.2 45 45 A G S < S+ 0 0 66 -3,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.812 99.9 68.4 78.4 28.1 59.5 19.8 41.8 46 46 A F + 0 0 56 -8,-0.2 -2,-0.4 -4,-0.1 2,-0.3 -0.918 58.1 110.5-163.4 153.0 58.2 19.9 38.2 47 47 A G - 0 0 16 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.991 68.7 -44.7 165.9-160.3 55.5 21.8 36.4 48 48 A Y S > S+ 0 0 0 -9,-1.8 3,-2.5 -2,-0.3 110,-0.3 0.621 77.4 118.6 -80.3 -13.0 54.3 24.5 34.1 49 49 A K T 3 S+ 0 0 125 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.284 88.0 10.5 -65.8 126.8 56.6 27.4 34.9 50 50 A G T 3 S+ 0 0 50 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.278 99.8 122.6 92.2 -7.5 58.7 28.3 31.9 51 51 A S < - 0 0 1 -3,-2.5 107,-2.7 107,-0.2 -1,-0.3 -0.257 51.6-131.6 -82.8 175.8 56.8 26.1 29.4 52 52 A C B -D 157 0A 16 14,-0.3 2,-0.8 105,-0.3 13,-0.5 -0.737 17.2-112.2-126.4 159.7 55.1 27.4 26.3 53 53 A F E -E 64 0A 1 103,-1.9 103,-0.5 -2,-0.2 11,-0.3 -0.899 37.0-176.3 -84.2 112.5 51.7 27.1 24.5 54 54 A H E + 0 0 33 9,-0.9 2,-0.3 -2,-0.8 98,-0.2 0.516 64.8 39.7 -96.4 -9.7 52.9 25.1 21.4 55 55 A R E +E 63 0A 19 8,-1.3 8,-2.9 96,-0.1 2,-0.4 -0.877 59.9 168.0-143.7 113.5 49.7 25.0 19.5 56 56 A I E -E 62 0A 0 94,-1.7 91,-1.9 -2,-0.3 94,-0.3 -0.996 8.7-174.4-127.3 121.7 47.3 28.0 19.2 57 57 A I E >> -E 61 0A 12 4,-2.3 3,-2.0 -2,-0.4 4,-1.4 -0.965 29.3-122.0-120.5 108.9 44.5 27.8 16.6 58 58 A P T 34 S+ 0 0 61 0, 0.0 86,-0.0 0, 0.0 82,-0.0 -0.162 96.0 18.0 -47.8 138.1 42.4 31.1 16.3 59 59 A G T 34 S+ 0 0 55 1,-0.1 56,-0.0 57,-0.1 84,-0.0 0.522 127.7 54.2 73.6 7.0 38.7 30.6 17.0 60 60 A F T <4 S- 0 0 2 -3,-2.0 56,-2.4 1,-0.2 57,-0.6 0.554 103.1 -54.7-130.5 -73.6 39.4 27.2 18.7 61 61 A M E < -EF 57 115A 0 -4,-1.4 -4,-2.3 54,-0.3 2,-0.5 -0.985 29.6-115.7-168.9 167.4 41.8 27.0 21.6 62 62 A C E -EF 56 114A 0 52,-2.0 52,-2.2 -2,-0.3 2,-0.4 -0.992 33.4-159.4-116.7 126.7 45.3 27.5 23.0 63 63 A Q E +EF 55 113A 0 -8,-2.9 -8,-1.3 -2,-0.5 -9,-0.9 -0.890 26.2 131.5-113.2 134.8 47.1 24.3 24.0 64 64 A G E +EF 53 112A 0 48,-2.0 48,-2.0 -2,-0.4 -11,-0.2 -0.760 19.3 104.5-152.8-162.9 50.0 24.0 26.4 65 65 A G + 0 0 0 -13,-0.5 2,-2.1 46,-0.3 3,-0.2 0.340 45.4 127.0 96.7 -1.3 51.4 22.0 29.4 66 66 A D > + 0 0 1 -14,-0.4 4,-1.6 1,-0.2 -14,-0.3 -0.523 22.3 159.6 -87.8 81.8 54.0 19.9 27.6 67 67 A F T 4 + 0 0 29 -2,-2.1 -1,-0.2 2,-0.2 -20,-0.1 0.667 67.3 53.8 -79.5 -9.7 56.8 20.9 29.9 68 68 A T T 4 S+ 0 0 64 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.932 128.5 9.1 -83.4 -56.9 59.0 17.9 28.9 69 69 A R T 4 S- 0 0 145 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.582 80.1-143.7-104.3 -15.5 59.1 18.2 25.1 70 70 A H S < S+ 0 0 94 -4,-1.6 -3,-0.1 1,-0.1 -4,-0.0 0.652 84.6 71.5 59.7 19.9 57.5 21.6 24.3 71 71 A N S S- 0 0 91 -7,-0.0 -1,-0.1 -5,-0.0 -4,-0.1 0.340 115.8 -82.8-148.6 9.8 55.8 20.3 21.2 72 72 A G S S+ 0 0 1 -6,-0.1 39,-0.1 100,-0.1 102,-0.1 0.202 109.2 86.5 103.1 -16.7 52.9 17.9 22.0 73 73 A T S S+ 0 0 69 -7,-0.1 99,-0.1 100,-0.1 2,-0.0 0.742 86.9 40.0 -92.1 -19.4 54.8 14.7 22.6 74 74 A G + 0 0 17 -8,-0.1 36,-0.3 2,-0.0 37,-0.2 -0.065 52.1 105.8-108.5-152.6 55.7 15.0 26.3 75 75 A G - 0 0 19 -9,-0.2 2,-0.3 34,-0.1 -9,-0.1 -0.081 39.8-146.3 93.9 164.6 54.5 16.1 29.7 76 76 A K - 0 0 89 33,-0.1 5,-0.2 -2,-0.1 2,-0.2 -0.980 12.9-114.2-158.7 157.7 53.5 13.9 32.7 77 77 A S B > -I 80 0B 2 3,-2.1 3,-1.5 -2,-0.3 33,-0.1 -0.487 30.0-112.0 -92.1 171.5 51.1 14.0 35.7 78 78 A I T 3 S+ 0 0 39 1,-0.3 3,-0.1 31,-0.2 -1,-0.1 0.612 120.8 57.8 -74.2 -10.6 51.8 14.2 39.4 79 79 A Y T 3 S- 0 0 82 1,-0.5 -1,-0.3 30,-0.1 2,-0.2 0.268 125.3 -83.7 -98.9 10.1 50.4 10.6 39.4 80 80 A G B < S-I 77 0B 26 -3,-1.5 -3,-2.1 1,-0.2 -1,-0.5 -0.688 76.7 -29.0 116.2 179.7 52.9 9.3 36.9 81 81 A E S S- 0 0 149 -2,-0.2 2,-0.3 -5,-0.2 -4,-0.2 0.877 123.8 -8.6 -41.1 -46.9 53.1 9.2 33.1 82 82 A K - 0 0 105 -3,-0.2 2,-0.3 -6,-0.1 27,-0.2 -0.902 61.7-157.3-149.3 169.0 49.3 9.2 32.6 83 83 A F B -J 108 0C 10 25,-1.4 25,-1.6 -2,-0.3 3,-0.0 -0.967 30.0 -84.9-148.9 167.4 46.1 8.9 34.6 84 84 A E - 0 0 80 -2,-0.3 2,-1.0 23,-0.2 3,-0.1 -0.155 42.3 -97.6 -78.3 163.6 42.5 8.1 34.0 85 85 A D - 0 0 24 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.706 36.3-160.0 -78.1 103.8 39.6 10.1 32.7 86 86 A E - 0 0 50 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.915 56.3 -45.5 -58.7 -48.9 38.0 11.0 36.0 87 87 A N - 0 0 36 -3,-0.1 -1,-0.2 -58,-0.1 41,-0.1 -0.961 34.0-130.6-173.1 168.5 34.5 11.9 34.6 88 88 A F + 0 0 65 -2,-0.3 36,-0.1 39,-0.1 38,-0.1 -0.252 61.3 125.2-122.1 44.1 32.8 13.8 31.9 89 89 A I + 0 0 104 -61,-0.1 2,-0.3 39,-0.1 -1,-0.1 0.941 62.7 61.4 -72.1 -43.7 30.3 15.7 34.0 90 90 A L S S- 0 0 42 38,-0.3 38,-0.6 -3,-0.1 34,-0.3 -0.606 74.9-148.0 -87.5 145.4 31.2 19.2 32.7 91 91 A K - 0 0 86 -2,-0.3 2,-1.6 32,-0.1 3,-0.1 -0.556 29.0 -98.3-110.1 170.8 30.9 20.1 29.1 92 92 A H + 0 0 1 1,-0.2 27,-0.1 -2,-0.2 31,-0.1 -0.644 53.7 166.9 -90.8 86.7 32.7 22.5 26.8 93 93 A T - 0 0 91 -2,-1.6 -1,-0.2 25,-0.2 25,-0.2 0.722 47.6 -53.4 -87.2 -18.4 30.3 25.3 27.1 94 94 A G S > S- 0 0 9 23,-0.3 3,-1.3 -3,-0.1 23,-0.4 -0.979 84.3 -19.1 171.3-166.4 32.0 28.3 25.7 95 95 A P T 3 S+ 0 0 86 0, 0.0 21,-0.3 0, 0.0 23,-0.1 -0.318 117.3 34.4 -57.7 146.7 35.2 30.5 25.7 96 96 A G T 3 S+ 0 0 5 19,-3.5 36,-1.8 1,-0.3 2,-0.1 0.248 77.6 139.2 93.8 -18.5 37.3 30.2 28.8 97 97 A I E < -G 131 0A 12 -3,-1.3 18,-3.2 34,-0.2 2,-0.4 -0.445 41.4-150.1 -60.9 134.2 36.7 26.5 29.5 98 98 A L E +GH 130 114A 0 32,-1.9 31,-2.1 16,-0.2 32,-0.9 -0.898 26.8 165.0-105.0 132.4 39.9 24.6 30.6 99 99 A S E -GH 128 113A 0 14,-2.5 14,-2.6 -2,-0.4 2,-0.4 -0.953 36.7 -97.2-150.0 162.4 40.1 20.9 29.5 100 100 A M E - 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