==== 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 06-SEP-95 1CWC . 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) . 7859.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 66.5 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 . 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 0 197 0, 0.0 2,-0.3 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0-178.5 13.3 9.3 39.2 2 2 A V - 0 0 83 24,-0.0 24,-0.0 25,-0.0 163,-0.0 -0.949 360.0-109.5-130.4 146.3 11.5 12.5 39.8 3 3 A N - 0 0 23 -2,-0.3 22,-0.1 1,-0.1 162,-0.0 -0.507 46.3-108.1 -70.8 135.7 10.6 15.5 37.6 4 4 A P - 0 0 14 0, 0.0 20,-2.6 0, 0.0 2,-0.5 -0.305 24.3-148.0 -68.3 148.9 12.6 18.6 38.6 5 5 A T E -A 23 0A 5 160,-2.2 159,-2.7 18,-0.2 160,-1.6 -0.983 18.3-177.2-116.8 129.0 10.9 21.5 40.4 6 6 A V E -AB 22 163A 0 16,-2.1 16,-3.2 -2,-0.5 2,-0.3 -0.828 8.0-151.3-122.3 160.1 12.3 25.0 39.7 7 7 A F E -AB 21 162A 21 155,-2.2 155,-1.5 -2,-0.3 2,-0.4 -0.949 8.7-158.9-135.8 156.7 11.3 28.4 41.1 8 8 A F E -AB 20 161A 0 12,-2.3 12,-2.5 -2,-0.3 2,-0.6 -0.992 11.4-149.9-130.3 135.2 11.3 32.1 40.2 9 9 A D E -AB 19 160A 36 151,-3.0 150,-2.1 -2,-0.4 151,-1.1 -0.961 25.1-152.0-105.6 115.8 11.2 34.9 42.7 10 10 A I E -AB 18 158A 3 8,-3.0 7,-3.6 -2,-0.6 8,-1.2 -0.727 13.2-170.6 -94.5 142.8 9.3 37.7 41.0 11 11 A A E -AB 16 157A 5 146,-2.2 146,-2.4 -2,-0.3 2,-0.5 -0.951 14.9-146.3-129.7 150.9 9.8 41.4 41.7 12 12 A V E > S-AB 15 156A 14 3,-3.3 3,-2.6 -2,-0.3 144,-0.2 -0.975 86.1 -23.2-121.7 114.9 7.8 44.4 40.5 13 13 A D T 3 S- 0 0 95 142,-2.8 -1,-0.2 -2,-0.5 143,-0.1 0.884 130.2 -49.7 47.7 42.4 9.9 47.5 40.0 14 14 A G T 3 S+ 0 0 62 141,-0.3 -1,-0.3 1,-0.2 142,-0.1 0.282 114.1 119.7 84.9 -12.6 12.4 46.0 42.4 15 15 A E E < S-A 12 0A 142 -3,-2.6 -3,-3.3 1,-0.0 -1,-0.2 -0.783 70.9-116.3 -87.9 123.4 9.8 45.2 45.1 16 16 A P E +A 11 0A 112 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.349 34.9 176.9 -59.7 133.0 9.6 41.4 45.8 17 17 A L E - 0 0 64 -7,-3.6 2,-0.3 1,-0.3 -6,-0.2 0.821 46.1 -82.9-102.0 -57.1 6.2 40.0 44.9 18 18 A G E -A 10 0A 22 -8,-1.2 -8,-3.0 120,-0.0 2,-0.4 -0.984 41.5 -67.2 171.1-174.5 6.5 36.3 45.5 19 19 A R E -A 9 0A 122 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.838 27.1-168.0-111.0 134.8 7.7 32.8 44.4 20 20 A V E -A 8 0A 1 -12,-2.5 -12,-2.3 -2,-0.4 2,-0.4 -0.979 10.3-161.2-116.9 128.2 6.3 30.7 41.6 21 21 A S E -AC 7 134A 11 113,-2.3 112,-3.2 -2,-0.5 113,-1.4 -0.892 5.9-162.3-110.8 142.7 7.4 27.0 41.5 22 22 A F E -AC 6 132A 0 -16,-3.2 -16,-2.1 -2,-0.4 2,-0.5 -0.939 15.0-141.8-125.4 146.0 7.1 24.9 38.3 23 23 A E E -AC 5 131A 45 108,-2.9 108,-2.0 -2,-0.4 2,-0.5 -0.917 21.7-148.8-102.0 131.4 7.2 21.2 37.8 24 24 A L E - C 0 130A 0 -20,-2.6 2,-2.0 -2,-0.5 106,-0.3 -0.902 12.4-132.0-104.2 131.8 9.1 20.4 34.5 25 25 A F >> + 0 0 29 104,-2.8 4,-2.8 -2,-0.5 3,-1.9 -0.402 42.5 156.4 -83.7 70.0 8.0 17.3 32.6 26 26 A A T 34 S+ 0 0 19 -2,-2.0 -1,-0.2 1,-0.3 8,-0.1 0.721 71.1 62.8 -65.7 -23.4 11.4 15.7 32.0 27 27 A D T 34 S+ 0 0 90 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.573 116.3 28.4 -77.4 -13.5 9.7 12.3 31.7 28 28 A K T <4 S+ 0 0 88 -3,-1.9 -2,-0.2 101,-0.1 61,-0.2 0.644 139.7 17.3-114.1 -36.6 7.8 13.6 28.6 29 29 A V X + 0 0 0 -4,-2.8 4,-2.6 100,-0.2 5,-0.2 -0.520 68.9 167.2-139.9 71.5 10.1 16.2 27.1 30 30 A P H > S+ 0 0 70 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.857 76.1 48.3 -53.8 -47.4 13.6 15.7 28.6 31 31 A K H > S+ 0 0 54 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.891 115.9 43.5 -65.3 -40.4 15.5 17.9 26.3 32 32 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.866 115.2 48.9 -73.0 -38.5 13.1 20.9 26.6 33 33 A A H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.930 109.9 52.2 -67.1 -43.9 12.8 20.4 30.4 34 34 A E H X S+ 0 0 67 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.912 106.2 54.2 -59.5 -43.7 16.6 20.3 30.8 35 35 A N H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.947 112.2 43.1 -54.2 -52.3 17.1 23.5 28.9 36 36 A F H X S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.901 113.8 52.5 -63.6 -39.8 14.6 25.4 31.2 37 37 A R H X S+ 0 0 26 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.923 111.0 45.4 -62.3 -47.2 16.2 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 0.855 111.3 52.9 -66.4 -35.9 19.8 24.8 33.4 39 39 A L H <5S+ 0 0 1 -4,-2.1 9,-2.0 -5,-0.3 10,-0.5 0.785 108.0 52.9 -70.9 -26.0 18.7 28.3 32.5 40 40 A S H <5S+ 0 0 2 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.848 113.2 40.5 -77.1 -35.8 17.0 28.6 35.9 41 41 A T H <5S- 0 0 52 -4,-1.6 -2,-0.2 121,-0.2 -1,-0.2 0.681 99.3-136.5 -83.9 -18.6 20.1 27.5 37.9 42 42 A G T ><5 + 0 0 31 -4,-1.4 3,-2.1 -5,-0.2 -3,-0.2 0.615 54.3 145.8 72.9 16.8 22.4 29.6 35.6 43 43 A E T 3 < + 0 0 100 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.586 61.8 56.4 -64.2 -16.7 24.9 26.7 35.6 44 44 A K T 3 S- 0 0 112 2,-0.6 -1,-0.3 -6,-0.4 3,-0.1 0.385 125.8 -96.1 -92.6 0.3 26.1 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 0.553 101.9 60.4 99.1 6.5 27.1 30.8 32.8 46 46 A F + 0 0 53 -8,-0.2 -2,-0.6 -4,-0.1 2,-0.3 -0.972 59.8 116.5-156.9 157.1 23.9 32.5 31.6 47 47 A G - 0 0 15 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.998 65.6 -47.3 171.7-165.0 20.2 32.3 32.4 48 48 A Y S > S+ 0 0 0 -9,-2.0 3,-2.8 -2,-0.3 110,-0.3 0.670 79.8 116.9 -73.3 -22.7 17.0 33.8 33.6 49 49 A K T 3 S+ 0 0 133 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.281 89.4 8.9 -56.0 121.4 18.2 35.4 36.8 50 50 A G T 3 S+ 0 0 50 108,-3.0 -1,-0.3 1,-0.3 109,-0.1 0.305 101.6 123.2 92.6 -8.9 17.7 39.2 36.4 51 51 A S < - 0 0 1 -3,-2.8 107,-2.9 107,-0.2 -1,-0.3 -0.290 50.7-128.9 -82.1 171.6 15.6 38.9 33.2 52 52 A C B -D 157 0A 7 14,-0.3 2,-0.9 105,-0.2 13,-0.7 -0.715 16.1-114.2-122.5 167.1 12.1 40.3 32.7 53 53 A F E -E 64 0A 2 103,-2.3 103,-0.5 -2,-0.2 11,-0.2 -0.909 36.7-180.0 -94.3 105.1 8.7 39.4 31.5 54 54 A H E + 0 0 37 -2,-0.9 2,-0.4 9,-0.6 98,-0.3 0.605 63.7 40.6 -86.1 -13.2 8.6 41.7 28.4 55 55 A R E +E 63 0A 19 8,-1.5 8,-3.4 96,-0.1 2,-0.4 -0.934 59.0 166.3-144.4 112.7 5.1 40.8 27.2 56 56 A I E -E 62 0A 0 94,-2.3 91,-2.3 -2,-0.4 94,-0.3 -0.993 8.3-176.4-128.9 122.6 2.0 40.2 29.4 57 57 A I E >> -E 61 0A 12 4,-2.6 3,-2.1 -2,-0.4 4,-1.4 -0.973 31.7-121.6-121.7 108.7 -1.5 40.0 28.0 58 58 A P T 34 S+ 0 0 62 0, 0.0 82,-0.0 0, 0.0 86,-0.0 -0.257 96.2 16.0 -51.6 130.4 -4.2 39.7 30.6 59 59 A G T 34 S+ 0 0 52 1,-0.1 56,-0.0 57,-0.0 84,-0.0 0.431 128.1 55.4 84.6 0.9 -6.3 36.6 30.1 60 60 A F T <4 S- 0 0 4 -3,-2.1 56,-2.4 1,-0.2 57,-0.7 0.596 104.2 -57.1-125.6 -72.2 -3.8 35.0 27.8 61 61 A M E < -EF 57 115A 0 -4,-1.4 -4,-2.6 54,-0.3 2,-0.4 -0.990 27.5-116.0-170.9 169.7 -0.2 34.7 29.1 62 62 A C E -EF 56 114A 0 52,-1.7 52,-2.4 -2,-0.3 2,-0.4 -0.990 33.7-160.7-118.0 125.0 3.0 36.1 30.5 63 63 A Q E +EF 55 113A 0 -8,-3.4 -8,-1.5 -2,-0.4 -9,-0.6 -0.919 25.1 132.6-112.7 138.3 6.0 35.8 28.2 64 64 A G E +EF 53 112A 0 48,-2.2 48,-1.9 -2,-0.4 -11,-0.2 -0.793 18.4 105.4-156.8-164.2 9.7 36.1 29.3 65 65 A G + 0 0 0 -13,-0.7 2,-1.5 46,-0.2 3,-0.1 0.480 41.6 130.0 97.6 -0.1 13.1 34.5 29.0 66 66 A D > + 0 0 0 -14,-0.5 4,-1.0 1,-0.2 -14,-0.3 -0.677 22.8 164.0 -87.1 84.1 14.9 36.9 26.6 67 67 A F T 4 + 0 0 28 -2,-1.5 -1,-0.2 1,-0.1 -20,-0.1 0.506 69.5 47.3 -81.4 -3.2 18.0 37.3 28.8 68 68 A T T 4 S+ 0 0 63 -3,-0.1 -1,-0.1 -17,-0.0 -2,-0.1 0.833 130.0 12.4-102.9 -45.5 20.1 38.8 26.0 69 69 A R T 4 S- 0 0 139 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.618 81.1-146.2-106.6 -18.7 17.9 41.5 24.4 70 70 A H S < S+ 0 0 83 -4,-1.0 -3,-0.1 1,-0.1 -5,-0.0 0.718 81.2 79.6 57.6 27.5 15.1 41.7 27.0 71 71 A N S S- 0 0 81 -7,-0.0 102,-0.2 -16,-0.0 -1,-0.1 0.361 111.9 -89.9-144.1 5.4 12.6 42.4 24.2 72 72 A G S S+ 0 0 0 100,-0.1 102,-0.1 -6,-0.1 39,-0.1 0.233 108.7 88.9 101.3 -15.1 11.6 39.2 22.5 73 73 A T S S+ 0 0 81 99,-0.1 2,-0.1 100,-0.1 99,-0.1 0.603 87.3 42.6 -93.2 -7.8 14.3 39.3 19.9 74 74 A G + 0 0 17 -8,-0.0 36,-0.3 2,-0.0 37,-0.2 -0.247 52.4 99.3-120.7-156.1 16.9 37.4 21.9 75 75 A G - 0 0 5 -9,-0.2 2,-0.3 34,-0.1 -9,-0.1 -0.193 41.4-143.4 97.4 167.8 17.8 34.5 24.2 76 76 A K - 0 0 78 33,-0.1 5,-0.2 -2,-0.1 6,-0.2 -0.973 12.9-111.2-163.1 157.2 19.4 31.2 23.4 77 77 A S B > -I 80 0B 1 4,-1.0 3,-0.8 3,-0.9 33,-0.1 -0.278 31.9-110.1 -85.0 175.8 19.2 27.6 24.5 78 78 A I T 3 S+ 0 0 34 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.460 116.0 61.1 -83.3 -0.9 21.9 25.6 26.4 79 79 A Y T 3 S- 0 0 86 1,-0.5 2,-0.3 30,-0.1 -1,-0.2 0.264 126.1 -74.4-107.4 9.9 22.4 23.6 23.1 80 80 A G B < S-I 77 0B 38 -3,-0.8 -3,-0.9 1,-0.2 -1,-0.5 -0.845 83.1 -37.1 125.3-163.8 23.4 26.4 20.9 81 81 A E S S+ 0 0 120 -2,-0.3 -4,-1.0 -5,-0.2 2,-0.3 0.938 120.7 0.5 -62.2 -52.1 21.3 29.2 19.5 82 82 A K - 0 0 126 -3,-0.2 2,-0.3 -6,-0.2 27,-0.2 -0.960 60.7-159.7-140.5 155.8 18.1 27.1 18.8 83 83 A F B -J 108 0C 6 25,-2.3 25,-2.0 -2,-0.3 3,-0.1 -0.881 28.5 -87.2-135.1 165.1 16.7 23.6 19.1 84 84 A E - 0 0 88 -2,-0.3 2,-0.8 23,-0.2 3,-0.1 -0.161 43.8 -97.5 -66.7 157.8 14.0 21.3 17.6 85 85 A D - 0 0 25 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.731 37.9-156.3 -75.5 112.9 10.4 20.9 18.7 86 86 A E - 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