==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(PEPTIDYL-PROLYL CIS-TRANS) 30-JUN-92 2CPL . COMPND 2 MOLECULE: CYCLOPHILIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.KE . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7505.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 29.9 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 1.2 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 . 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 . 13 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 12.2 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 . 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 0 PARALLEL BRIDGES PER LADDER . 3 0 3 2 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 2 A V 0 0 192 0, 0.0 24,-0.0 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0 -32.1 23.0 28.0 18.8 2 3 A N - 0 0 31 1,-0.1 22,-0.1 23,-0.1 0, 0.0 -0.692 360.0-107.8 -73.9 132.7 25.8 26.1 17.0 3 4 A P - 0 0 18 0, 0.0 20,-2.6 0, 0.0 2,-0.5 -0.220 24.0-150.5 -61.1 141.9 27.6 23.9 19.6 4 5 A T E -A 22 0A 1 18,-0.2 159,-2.4 16,-0.0 160,-1.8 -0.986 17.0-176.3-109.6 128.3 31.1 24.6 20.8 5 6 A V E -AB 21 162A 0 16,-2.0 16,-2.4 -2,-0.5 2,-0.3 -0.878 8.4-151.4-118.1 158.4 33.2 21.6 21.8 6 7 A F E -AB 20 161A 21 155,-2.6 155,-1.6 -2,-0.3 2,-0.4 -0.922 6.9-160.3-127.6 157.1 36.7 21.6 23.3 7 8 A F E -AB 19 160A 0 12,-2.5 12,-2.3 -2,-0.3 2,-0.7 -0.999 11.2-148.5-130.9 131.7 39.6 19.3 23.3 8 9 A D E -AB 18 159A 42 151,-3.2 150,-1.9 -2,-0.4 151,-1.2 -0.929 23.1-149.7 -99.6 116.7 42.4 19.5 25.9 9 10 A I E -AB 17 157A 3 8,-3.1 7,-3.0 -2,-0.7 8,-1.0 -0.662 14.9-172.9 -89.2 139.8 45.6 18.4 24.2 10 11 A A E -AB 15 156A 4 146,-2.2 146,-2.6 -2,-0.3 2,-0.5 -0.962 15.2-150.3-128.1 145.8 48.5 16.7 25.9 11 12 A V E > S-AB 14 155A 17 3,-2.5 3,-2.0 -2,-0.4 144,-0.2 -0.984 87.1 -21.4-115.5 115.4 51.9 15.9 24.5 12 13 A D T 3 S- 0 0 91 142,-2.8 -1,-0.2 -2,-0.5 143,-0.1 0.935 130.1 -49.6 43.0 51.1 53.3 12.7 26.1 13 14 A G T 3 S+ 0 0 63 141,-0.3 -1,-0.3 1,-0.2 142,-0.0 0.127 115.7 115.0 83.8 -25.7 51.0 13.2 29.1 14 15 A E E < S-A 11 0A 146 -3,-2.0 -3,-2.5 1,-0.1 -1,-0.2 -0.680 73.2-109.4 -86.0 128.0 52.0 16.9 29.6 15 16 A P E +A 10 0A 121 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.182 37.2 172.1 -59.4 136.0 49.2 19.5 29.0 16 17 A L E - 0 0 56 -7,-3.0 2,-0.3 1,-0.4 -6,-0.2 0.740 50.2 -84.7-105.4 -56.7 49.7 21.6 25.9 17 18 A G E -A 9 0A 23 -8,-1.0 -8,-3.1 120,-0.0 2,-0.4 -0.982 40.1 -69.4 169.5-172.0 46.4 23.6 25.8 18 19 A R E -A 8 0A 113 -2,-0.3 2,-0.4 -10,-0.2 119,-0.2 -0.922 27.0-170.1-116.3 139.4 42.8 23.8 24.7 19 20 A V E -A 7 0A 1 -12,-2.3 -12,-2.5 -2,-0.4 2,-0.3 -0.987 9.9-164.9-123.7 129.4 41.3 24.0 21.3 20 21 A S E -AC 6 133A 2 113,-2.5 112,-2.4 -2,-0.4 113,-0.8 -0.854 3.6-157.3-115.6 162.0 37.6 24.7 20.9 21 22 A F E -AC 5 131A 0 -16,-2.4 -16,-2.0 -2,-0.3 2,-0.5 -0.995 15.8-137.7-140.2 134.9 35.5 24.3 17.8 22 23 A E E -AC 4 130A 45 108,-2.6 108,-1.9 -2,-0.4 2,-0.5 -0.820 24.9-148.9 -85.8 130.4 32.3 25.8 16.5 23 24 A L E - C 0 129A 0 -20,-2.6 2,-2.3 -2,-0.5 3,-0.3 -0.910 12.1-133.0-105.6 126.7 30.2 22.9 14.8 24 25 A F >> + 0 0 28 104,-2.6 4,-3.0 -2,-0.5 3,-1.1 -0.344 43.1 156.2 -80.5 65.1 28.0 24.0 11.9 25 26 A A T 34 + 0 0 30 -2,-2.3 -1,-0.2 1,-0.3 8,-0.1 0.780 69.0 63.7 -61.0 -25.7 24.9 22.2 13.1 26 27 A D T 34 S+ 0 0 99 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.821 117.2 24.3 -68.7 -34.2 22.8 24.7 11.0 27 28 A K T <4 S+ 0 0 98 -3,-1.1 -2,-0.2 1,-0.2 -1,-0.1 0.782 139.2 22.9-102.8 -31.9 24.3 23.5 7.7 28 29 A V X + 0 0 0 -4,-3.0 4,-2.7 100,-0.1 5,-0.3 -0.528 69.8 163.6-132.7 66.6 25.5 19.9 8.5 29 30 A P H > S+ 0 0 68 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.882 73.6 47.9 -55.1 -46.0 23.3 18.8 11.4 30 31 A K H > S+ 0 0 60 2,-0.2 4,-1.6 1,-0.2 -5,-0.1 0.910 116.8 42.6 -66.4 -36.9 23.9 15.0 11.2 31 32 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 115.1 50.1 -74.6 -39.4 27.7 15.4 10.8 32 33 A A H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.914 109.4 52.3 -66.0 -40.9 27.9 18.1 13.5 33 34 A E H X S+ 0 0 64 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.864 105.8 54.0 -63.5 -40.6 25.9 15.9 15.9 34 35 A N H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.952 112.5 42.7 -58.2 -51.1 28.2 12.9 15.4 35 36 A F H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.907 115.1 50.6 -63.0 -44.3 31.3 14.9 16.4 36 37 A R H X S+ 0 0 27 -4,-2.4 4,-1.7 2,-0.2 3,-0.4 0.945 111.7 46.5 -57.5 -51.1 29.5 16.6 19.3 37 38 A A H X>S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 5,-0.5 0.878 112.3 50.2 -65.5 -35.8 28.2 13.3 20.8 38 39 A L H <5S+ 0 0 1 -4,-2.2 9,-2.3 1,-0.2 10,-0.4 0.782 109.1 53.7 -73.2 -23.6 31.7 11.7 20.4 39 40 A S H <5S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.835 114.1 39.4 -77.4 -34.1 33.3 14.7 22.2 40 41 A T H <5S- 0 0 50 -4,-1.7 -2,-0.2 121,-0.2 -1,-0.2 0.698 97.6-139.7 -86.3 -20.2 30.9 14.4 25.2 41 42 A G T ><5 + 0 0 30 -4,-1.7 3,-2.5 -5,-0.2 -3,-0.1 0.514 54.7 141.8 74.1 8.3 31.1 10.6 25.2 42 43 A E T 3 < + 0 0 101 -5,-0.5 -4,-0.1 1,-0.3 4,-0.1 0.582 64.1 57.0 -60.5 -16.5 27.3 10.5 26.0 43 44 A K T 3 S- 0 0 98 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.380 125.4 -97.2 -93.3 -0.2 26.7 7.4 23.7 44 45 A G S < S+ 0 0 70 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.473 100.5 55.6 103.5 -2.3 29.3 5.4 25.7 45 46 A F + 0 0 61 -8,-0.1 -2,-0.5 -4,-0.1 2,-0.3 -0.944 61.3 120.7-151.7 164.0 32.3 5.8 23.4 46 47 A G - 0 0 15 -2,-0.3 -7,-0.2 2,-0.1 -8,-0.1 -0.999 64.7 -48.7 165.7-166.5 34.2 8.8 22.0 47 48 A Y S > S+ 0 0 0 -9,-2.3 3,-2.4 -2,-0.3 110,-0.3 0.605 77.6 120.3 -77.4 -17.0 37.3 10.8 21.6 48 49 A K T 3 S+ 0 0 134 -10,-0.4 110,-0.2 1,-0.3 -2,-0.1 -0.332 87.9 6.4 -62.7 122.6 38.5 11.1 25.2 49 50 A G T 3 S+ 0 0 54 108,-3.0 -1,-0.3 1,-0.3 109,-0.1 0.334 100.3 127.8 90.6 -5.8 42.0 9.6 25.5 50 51 A S < - 0 0 5 -3,-2.4 107,-2.4 107,-0.2 -1,-0.3 -0.383 51.1-125.8 -81.4 160.5 42.4 9.0 21.7 51 52 A C B -D 156 0A 5 14,-0.4 2,-0.9 105,-0.2 13,-0.6 -0.579 12.5-118.4-105.7 165.9 45.4 10.2 19.8 52 53 A F - 0 0 1 103,-2.3 103,-0.4 -2,-0.2 11,-0.3 -0.914 35.5-177.6 -95.4 107.3 46.2 12.3 16.7 53 54 A H + 0 0 35 -2,-0.9 2,-0.4 9,-0.5 98,-0.3 0.662 61.5 41.8 -85.4 -15.3 47.9 9.6 14.7 54 55 A R E +E 62 0A 97 8,-1.7 8,-3.2 96,-0.1 2,-0.4 -0.956 57.6 166.9-139.2 113.4 48.8 11.7 11.6 55 56 A I E -E 61 0A 0 94,-2.3 91,-2.2 -2,-0.4 94,-0.3 -0.981 6.2-179.7-131.5 120.2 50.2 15.2 11.6 56 57 A I E >> -E 60 0A 20 4,-2.5 3,-1.7 -2,-0.4 4,-1.5 -0.960 31.0-125.2-119.8 107.8 51.8 16.7 8.4 57 58 A P T 34 S+ 0 0 61 0, 0.0 86,-0.0 0, 0.0 82,-0.0 -0.239 94.7 19.5 -56.9 133.6 53.1 20.3 8.9 58 59 A G T 34 S+ 0 0 54 1,-0.1 56,-0.0 57,-0.1 84,-0.0 0.578 128.9 49.9 82.6 7.0 51.6 22.7 6.4 59 60 A F T <4 S- 0 0 50 -3,-1.7 56,-2.3 1,-0.2 57,-0.7 0.454 105.1 -47.1-135.5 -71.2 48.7 20.4 5.6 60 61 A M E < -EF 56 114A 8 -4,-1.5 -4,-2.5 54,-0.3 2,-0.5 -0.997 26.8-122.5-168.2 167.0 46.7 18.9 8.5 61 62 A C E -EF 55 113A 0 52,-2.2 52,-2.6 -2,-0.3 2,-0.4 -0.989 33.2-163.5-115.6 124.2 46.3 17.2 11.9 62 63 A Q E +EF 54 112A 23 -8,-3.2 -8,-1.7 -2,-0.5 -9,-0.5 -0.922 23.4 134.0-117.9 134.4 44.2 14.0 11.8 63 64 A G E + F 0 111A 0 48,-2.0 48,-1.9 -2,-0.4 -11,-0.2 -0.697 19.7 107.1-146.5-161.4 42.7 12.1 14.6 64 65 A G + 0 0 0 -13,-0.6 2,-1.4 46,-0.2 11,-0.3 0.387 44.9 124.4 101.2 -2.6 39.5 10.4 15.7 65 66 A D > + 0 0 1 -14,-0.4 4,-1.1 1,-0.2 -14,-0.4 -0.662 24.1 161.7 -91.5 90.0 40.5 6.8 15.5 66 67 A F T 4 + 0 0 30 -2,-1.4 -1,-0.2 1,-0.2 -20,-0.1 0.355 67.7 51.0 -89.3 1.7 39.6 5.7 19.0 67 68 A T T 4 S+ 0 0 57 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.721 127.3 12.5-111.3 -26.5 39.5 2.0 18.3 68 69 A R T 4 S- 0 0 164 -3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.466 83.6-141.5-128.9 -7.7 42.8 1.2 16.5 69 70 A H S < S+ 0 0 103 -4,-1.1 -3,-0.1 1,-0.1 -5,-0.0 0.656 82.0 74.9 59.3 23.6 44.7 4.4 17.2 70 71 A N S S- 0 0 92 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.358 112.7 -83.7-147.9 9.9 46.3 4.5 13.7 71 72 A G S S+ 0 0 26 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.1 0.274 108.7 88.7 102.6 -13.0 43.8 5.5 10.9 72 73 A T S S+ 0 0 100 -7,-0.1 2,-0.1 -4,-0.0 -7,-0.0 0.527 85.7 40.3-100.0 -3.0 42.2 2.1 10.3 73 74 A G + 0 0 16 2,-0.0 36,-0.3 -8,-0.0 37,-0.2 -0.318 53.8 106.4-123.2-153.2 39.4 2.3 12.9 74 75 A G - 0 0 8 -9,-0.1 2,-0.3 -2,-0.1 -9,-0.1 -0.183 37.1-146.5 98.1 165.4 36.7 4.4 14.5 75 76 A K - 0 0 77 -11,-0.3 5,-0.2 33,-0.1 33,-0.1 -0.975 12.2-118.0-163.1 155.5 33.0 4.5 14.1 76 77 A S B > -I 79 0B 2 3,-1.8 3,-1.1 4,-0.5 33,-0.1 -0.432 31.4-109.1 -90.4 173.3 30.1 7.0 14.2 77 78 A I T 3 S+ 0 0 37 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.567 120.2 57.6 -74.6 -10.3 27.2 7.3 16.6 78 79 A Y T 3 S- 0 0 88 1,-0.5 2,-0.3 30,-0.1 -1,-0.2 0.390 125.8 -81.5 -98.6 0.5 25.0 6.1 13.6 79 80 A G B < S-I 76 0B 34 -3,-1.1 -3,-1.8 1,-0.2 -1,-0.5 -0.796 74.6 -35.3 126.1-173.5 27.0 2.9 13.1 80 81 A E S S+ 0 0 154 -2,-0.3 -4,-0.5 -5,-0.2 2,-0.3 0.928 123.1 2.2 -47.9 -54.7 30.2 2.0 11.3 81 82 A K - 0 0 136 -3,-0.2 2,-0.3 -6,-0.1 27,-0.2 -0.858 63.1-165.8-134.3 159.1 29.9 4.5 8.4 82 83 A F B -J 107 0C 6 25,-1.6 25,-2.4 -2,-0.3 3,-0.1 -0.965 30.0 -86.3-143.5 163.1 27.4 7.2 7.4 83 84 A E - 0 0 84 -2,-0.3 2,-0.6 23,-0.2 3,-0.1 -0.126 41.3 -97.3 -66.3 158.7 26.7 9.3 4.2 84 85 A D - 0 0 25 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.714 37.5-157.9 -70.2 118.3 28.2 12.5 3.0 85 86 A E - 0 0 51 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.962 55.3 -49.6 -74.1 -49.1 25.6 14.9 4.2 86 87 A N - 0 0 40 -3,-0.1 -1,-0.3 41,-0.1 41,-0.2 -0.950 36.3-126.6-169.7 174.9 26.3 17.7 1.8 87 88 A F + 0 0 72 -2,-0.3 36,-0.1 39,-0.1 38,-0.1 -0.098 61.0 126.7-125.7 37.9 29.3 19.7 0.4 88 89 A I + 0 0 98 -61,-0.1 2,-0.2 39,-0.1 -1,-0.1 0.921 63.6 64.1 -57.4 -46.8 28.0 23.3 1.1 89 90 A L S S- 0 0 33 38,-0.3 38,-0.5 -3,-0.1 34,-0.3 -0.585 73.7-148.9 -90.6 144.6 31.1 24.3 3.0 90 91 A K - 0 0 111 -2,-0.2 2,-1.5 32,-0.1 3,-0.1 -0.642 26.8-106.3-107.7 167.0 34.6 24.5 1.5 91 92 A H + 0 0 2 -2,-0.2 27,-0.5 1,-0.2 31,-0.1 -0.679 52.7 161.0 -94.3 82.0 38.2 24.1 2.7 92 93 A T - 0 0 99 -2,-1.5 25,-0.2 25,-0.2 -1,-0.2 0.543 52.5 -48.9 -89.5 -9.5 38.9 27.7 2.8 93 94 A G S > S- 0 0 9 23,-0.3 3,-1.2 -3,-0.1 23,-0.3 -0.980 83.8 -22.5 168.3-171.6 42.0 27.9 5.0 94 95 A P T 3 S+ 0 0 81 0, 0.0 21,-0.3 0, 0.0 23,-0.1 -0.203 113.8 39.7 -55.6 148.0 43.6 26.9 8.4 95 96 A G T 3 S+ 0 0 5 19,-3.0 36,-2.2 1,-0.3 2,-0.2 0.231 78.2 139.0 94.6 -15.6 41.3 26.0 11.2 96 97 A I E < -G 130 0A 15 -3,-1.2 18,-3.0 34,-0.2 2,-0.5 -0.428 42.3-148.2 -68.9 136.0 38.8 24.1 9.0 97 98 A L E +GH 129 113A 0 32,-2.5 31,-2.4 16,-0.2 32,-1.2 -0.892 26.8 168.2-106.5 123.2 37.4 20.8 10.5 98 99 A S E -GH 127 112A 0 14,-2.4 14,-2.7 -2,-0.5 2,-0.4 -0.970 35.5-104.3-140.0 149.8 36.5 18.1 8.0 99 100 A M E - 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