==== 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 27-FEB-96 2CYH . COMPND 2 MOLECULE: CYCLOPHILIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.ZHAO,H.KE . 166 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 66.9 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 . 51 30.7 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 . 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 . 15 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 12.0 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 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 2 A V 0 0 157 0, 0.0 3,-0.0 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0 -92.2 0.6 27.4 20.8 2 3 A N - 0 0 24 1,-0.1 22,-0.1 23,-0.1 0, 0.0 -0.741 360.0-101.7 -65.9 132.8 2.5 25.7 18.0 3 4 A P - 0 0 16 0, 0.0 20,-2.5 0, 0.0 2,-0.4 -0.243 32.5-150.1 -65.9 152.0 4.5 23.5 20.4 4 5 A T E -A 22 0A 7 18,-0.2 159,-3.2 -3,-0.0 160,-1.6 -0.990 15.0-176.3-118.0 131.1 8.0 24.1 21.6 5 6 A V E -AB 21 162A 0 16,-1.9 16,-2.8 -2,-0.4 2,-0.3 -0.861 9.0-149.8-120.8 159.5 10.3 21.2 22.5 6 7 A F E -AB 20 161A 20 155,-2.5 155,-1.6 -2,-0.3 2,-0.4 -0.938 7.1-158.4-127.3 157.1 13.8 21.2 23.9 7 8 A F E -AB 19 160A 1 12,-2.4 12,-2.5 -2,-0.3 2,-0.6 -0.994 9.8-151.7-127.8 132.9 16.9 19.0 23.7 8 9 A D E -AB 18 159A 38 151,-3.1 150,-1.7 -2,-0.4 151,-1.3 -0.946 25.0-151.0-102.6 119.2 19.6 19.2 26.3 9 10 A I E -AB 17 157A 4 8,-3.2 7,-2.9 -2,-0.6 8,-1.2 -0.748 14.6-170.9 -98.7 142.0 22.8 18.1 24.5 10 11 A A E -AB 15 156A 6 146,-2.4 146,-2.8 -2,-0.3 2,-0.5 -0.950 13.5-150.7-129.6 147.5 25.8 16.4 26.0 11 12 A V E > S-AB 14 155A 16 3,-2.7 3,-2.0 -2,-0.3 144,-0.2 -0.987 86.1 -23.3-120.5 111.1 29.2 15.6 24.3 12 13 A D T 3 S- 0 0 89 142,-2.9 -1,-0.1 -2,-0.5 143,-0.1 0.876 128.8 -49.8 51.0 42.8 30.8 12.5 25.9 13 14 A G T 3 S+ 0 0 59 141,-0.4 -1,-0.3 1,-0.2 142,-0.0 0.068 114.9 117.5 87.4 -28.2 28.7 13.0 29.0 14 15 A E E < S-A 11 0A 140 -3,-2.0 -3,-2.7 1,-0.1 -1,-0.2 -0.576 72.7-111.0 -77.0 128.9 29.7 16.7 29.4 15 16 A P E +A 10 0A 111 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.301 37.2 173.7 -57.3 130.7 26.8 19.2 29.1 16 17 A L E - 0 0 56 -7,-2.9 2,-0.3 1,-0.4 -6,-0.2 0.796 46.9 -89.6-103.2 -54.4 26.9 21.4 26.0 17 18 A G E -A 9 0A 25 -8,-1.2 -8,-3.2 2,-0.0 2,-0.4 -0.962 39.4 -69.2 164.2-174.1 23.7 23.3 26.1 18 19 A R E -A 8 0A 112 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.876 27.1-169.0-113.7 138.3 20.0 23.4 25.2 19 20 A V E -A 7 0A 1 -12,-2.5 -12,-2.4 -2,-0.4 2,-0.3 -0.975 10.9-162.7-119.5 133.5 18.4 23.8 21.7 20 21 A S E -AC 6 133A 2 113,-2.3 112,-2.8 -2,-0.4 113,-0.8 -0.904 4.6-155.9-116.0 156.8 14.6 24.4 21.6 21 22 A F E -AC 5 131A 0 -16,-2.8 -16,-1.9 -2,-0.3 2,-0.5 -0.976 13.7-141.1-133.0 136.6 12.4 23.9 18.4 22 23 A E E -AC 4 130A 34 108,-2.7 108,-1.8 -2,-0.4 2,-0.5 -0.876 24.1-149.8 -89.7 130.6 9.1 25.4 17.3 23 24 A L E - C 0 129A 0 -20,-2.5 2,-2.2 -2,-0.5 3,-0.3 -0.901 11.3-134.5-106.1 129.6 7.1 22.6 15.6 24 25 A F >> + 0 0 22 104,-2.4 4,-3.3 -2,-0.5 3,-0.6 -0.356 42.5 155.3 -83.4 67.1 4.8 23.7 12.8 25 26 A A T 34 S+ 0 0 33 -2,-2.2 -1,-0.2 1,-0.3 8,-0.1 0.780 70.9 63.7 -64.9 -25.3 1.7 21.7 13.9 26 27 A D T 34 S+ 0 0 95 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.912 117.4 25.2 -64.8 -40.3 -0.4 24.2 12.1 27 28 A K T <4 S+ 0 0 78 -3,-0.6 -2,-0.2 1,-0.2 61,-0.1 0.839 139.0 21.9 -95.0 -35.1 1.2 23.2 8.7 28 29 A V S X S+ 0 0 0 -4,-3.3 4,-2.8 100,-0.2 5,-0.3 -0.533 70.2 165.1-130.4 64.6 2.3 19.6 9.3 29 30 A P H > S+ 0 0 69 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.871 73.6 46.9 -53.1 -44.7 0.2 18.3 12.2 30 31 A K H > S+ 0 0 60 2,-0.2 4,-1.8 1,-0.2 -5,-0.1 0.925 117.4 42.7 -68.1 -43.0 0.9 14.5 11.8 31 32 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 115.0 49.6 -69.2 -44.9 4.7 15.0 11.4 32 33 A A H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.926 109.5 51.8 -62.7 -40.7 5.0 17.6 14.2 33 34 A E H X S+ 0 0 66 -4,-2.4 4,-2.9 -5,-0.3 5,-0.3 0.904 105.8 55.0 -65.8 -38.3 3.0 15.4 16.7 34 35 A N H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.973 112.9 42.1 -58.5 -49.0 5.3 12.4 16.0 35 36 A F H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.909 114.1 51.7 -63.6 -44.0 8.3 14.5 16.9 36 37 A R H X S+ 0 0 28 -4,-2.7 4,-1.4 1,-0.2 3,-0.3 0.942 112.9 45.1 -58.5 -47.9 6.6 16.1 19.9 37 38 A A H X>S+ 0 0 1 -4,-2.9 4,-1.7 1,-0.2 5,-0.6 0.832 111.0 52.4 -67.3 -35.2 5.5 12.8 21.4 38 39 A L H <5S+ 0 0 0 -4,-2.3 9,-2.4 -5,-0.3 10,-0.4 0.816 108.7 52.7 -72.0 -25.6 9.0 11.2 20.8 39 40 A S H <5S+ 0 0 1 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.753 114.0 40.1 -76.4 -32.1 10.5 14.2 22.7 40 41 A T H <5S- 0 0 52 -4,-1.4 -2,-0.2 121,-0.2 -1,-0.2 0.698 97.6-139.0 -85.7 -24.8 8.2 13.7 25.7 41 42 A G T ><5 + 0 0 27 -4,-1.7 3,-2.2 -5,-0.2 -3,-0.2 0.616 53.3 145.3 76.3 13.0 8.5 10.0 25.6 42 43 A E T 3 < + 0 0 98 -5,-0.6 -4,-0.1 1,-0.3 4,-0.1 0.676 62.9 55.1 -62.5 -20.5 4.8 9.8 26.4 43 44 A K T 3 S- 0 0 91 -6,-0.5 -1,-0.3 2,-0.5 3,-0.1 0.347 127.6 -94.7 -91.6 8.6 4.0 6.7 24.3 44 45 A G S < S+ 0 0 68 -3,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.530 101.6 56.2 96.0 3.7 6.7 4.8 26.2 45 46 A F + 0 0 68 -8,-0.2 -2,-0.5 -4,-0.1 2,-0.3 -0.968 59.8 114.9-155.2 166.4 9.7 5.3 23.8 46 47 A G - 0 0 12 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.995 66.8 -43.3 161.2-160.8 11.4 8.3 22.3 47 48 A Y S > S+ 0 0 0 -9,-2.4 3,-2.5 -2,-0.3 110,-0.3 0.614 76.3 118.8 -85.6 -17.1 14.5 10.4 22.0 48 49 A K T 3 S+ 0 0 123 -10,-0.4 110,-0.2 1,-0.3 -2,-0.2 -0.305 89.8 10.0 -60.7 125.2 15.9 10.8 25.6 49 50 A G T 3 S+ 0 0 52 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.241 99.8 124.3 93.4 -10.9 19.3 9.2 25.7 50 51 A S < - 0 0 6 -3,-2.5 107,-2.7 107,-0.2 -1,-0.3 -0.241 51.0-127.7 -79.0 170.4 19.7 8.8 21.9 51 52 A C B -D 156 0A 7 14,-0.4 2,-0.8 105,-0.2 13,-0.6 -0.738 14.7-112.9-117.9 165.8 22.6 10.1 19.9 52 53 A F E -E 63 0A 2 103,-2.1 103,-0.5 -2,-0.3 11,-0.3 -0.861 36.4-178.8 -91.0 111.3 23.3 12.2 16.8 53 54 A H E + 0 0 29 -2,-0.8 2,-0.4 9,-0.7 98,-0.3 0.711 62.3 37.1 -91.1 -16.7 24.8 9.6 14.6 54 55 A R E +E 62 0A 66 8,-1.7 8,-3.0 96,-0.1 2,-0.4 -0.951 59.1 167.8-143.2 111.2 25.7 11.6 11.4 55 56 A I E -E 61 0A 0 94,-2.0 91,-2.2 -2,-0.4 94,-0.3 -0.988 9.4-173.4-129.2 122.1 26.9 15.2 11.4 56 57 A I E >> -E 60 0A 23 4,-2.7 3,-2.1 -2,-0.4 4,-1.6 -0.958 29.2-123.2-119.9 111.2 28.3 16.8 8.3 57 58 A P T 34 S+ 0 0 55 0, 0.0 86,-0.0 0, 0.0 82,-0.0 -0.219 93.6 15.7 -57.6 135.3 29.8 20.2 8.9 58 59 A G T 34 S+ 0 0 52 1,-0.1 56,-0.0 57,-0.0 84,-0.0 0.390 129.3 53.6 81.6 -3.7 28.3 23.0 6.8 59 60 A F T <4 S- 0 0 37 -3,-2.1 56,-2.6 1,-0.2 57,-0.7 0.658 106.4 -45.0-125.0 -70.2 25.3 20.8 5.9 60 61 A M E < -EF 56 114A 0 -4,-1.6 -4,-2.7 54,-0.3 2,-0.5 -0.995 30.1-125.0-167.7 161.2 23.3 19.2 8.8 61 62 A C E -EF 55 113A 0 52,-2.2 52,-2.4 -2,-0.3 2,-0.4 -0.976 33.0-165.2-112.9 125.2 23.2 17.3 12.1 62 63 A Q E +EF 54 112A 6 -8,-3.0 -8,-1.7 -2,-0.5 -9,-0.7 -0.925 22.7 132.5-121.0 137.8 21.2 14.1 12.0 63 64 A G E +EF 52 111A 0 48,-2.0 48,-1.6 -2,-0.4 -11,-0.2 -0.650 18.9 112.2-150.4-157.2 19.8 11.9 14.9 64 65 A G + 0 0 0 -13,-0.6 2,-1.5 46,-0.2 11,-0.3 0.381 42.7 125.5 97.2 -2.4 16.6 10.2 16.0 65 66 A D > + 0 0 1 -14,-0.5 4,-1.1 1,-0.2 -14,-0.4 -0.623 24.2 162.0 -88.9 85.1 17.7 6.5 15.7 66 67 A F T 4 + 0 0 34 -2,-1.5 -1,-0.2 1,-0.2 -20,-0.1 0.466 67.4 51.2 -84.5 2.7 16.9 5.4 19.2 67 68 A T T 4 S+ 0 0 66 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.814 128.0 11.1-107.6 -36.3 16.8 1.7 18.4 68 69 A R T 4 S- 0 0 153 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.529 83.9-142.8-120.4 -7.4 20.1 1.0 16.6 69 70 A H S < S+ 0 0 101 -4,-1.1 -3,-0.1 1,-0.1 -4,-0.0 0.647 81.9 76.8 60.7 23.0 21.9 4.3 17.2 70 71 A N S S- 0 0 87 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.320 113.4 -87.1-146.1 9.3 23.5 4.3 13.7 71 72 A G S S+ 0 0 26 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.373 106.1 94.9 97.1 -5.9 20.9 5.4 11.2 72 73 A T S S+ 0 0 94 -7,-0.1 2,-0.1 -4,-0.0 -7,-0.0 0.489 86.7 27.8 -96.5 1.6 19.5 2.0 10.5 73 74 A G + 0 0 17 2,-0.0 36,-0.3 35,-0.0 37,-0.2 -0.375 51.9 118.7-134.2-148.4 16.5 2.1 12.9 74 75 A G - 0 0 16 -9,-0.2 2,-0.3 -2,-0.1 -9,-0.1 -0.245 38.7-142.0 98.6 167.2 14.1 4.2 14.8 75 76 A K - 0 0 52 -11,-0.3 5,-0.2 -2,-0.1 2,-0.1 -0.970 10.4-120.5-158.9 154.2 10.2 4.1 14.5 76 77 A S B > -I 79 0B 1 3,-2.0 3,-1.3 -2,-0.3 33,-0.1 -0.473 31.0-108.9 -91.6 174.7 7.4 6.6 14.6 77 78 A I T 3 S+ 0 0 35 1,-0.3 3,-0.1 31,-0.2 -1,-0.1 0.591 120.5 55.8 -74.5 -6.4 4.4 6.7 17.0 78 79 A Y T 3 S- 0 0 87 1,-0.4 2,-0.3 30,-0.1 -1,-0.3 0.302 126.8 -73.4-106.3 1.3 2.3 5.5 14.0 79 80 A G B < S-I 76 0B 26 -3,-1.3 -3,-2.0 1,-0.2 -1,-0.4 -0.811 75.5 -43.1 131.4-172.9 4.3 2.4 13.3 80 81 A E S S+ 0 0 131 -2,-0.3 2,-0.3 -5,-0.2 -1,-0.2 0.892 123.0 1.6 -64.7 -32.5 7.6 1.7 11.7 81 82 A K - 0 0 130 -3,-0.2 2,-0.3 -6,-0.1 27,-0.2 -0.941 62.2-167.5-146.8 159.9 7.1 4.2 8.9 82 83 A F B -J 107 0C 5 25,-1.5 25,-2.2 -2,-0.3 3,-0.1 -0.957 32.0 -85.1-146.2 163.1 4.5 6.8 7.8 83 84 A E - 0 0 82 -2,-0.3 2,-0.6 23,-0.2 3,-0.1 -0.101 44.1 -92.5 -67.9 162.1 3.9 8.8 4.6 84 85 A D - 0 0 24 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.685 38.4-156.9 -73.7 116.6 5.2 12.2 3.5 85 86 A E - 0 0 51 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.917 56.4 -47.1 -70.0 -47.7 2.5 14.5 4.8 86 87 A N - 0 0 39 -3,-0.1 -1,-0.3 41,-0.1 41,-0.1 -0.932 36.8-130.8-173.0 172.4 3.1 17.4 2.5 87 88 A F + 0 0 71 -2,-0.3 36,-0.1 39,-0.1 38,-0.1 -0.093 60.7 126.8-130.7 38.0 6.0 19.5 1.1 88 89 A I + 0 0 106 -61,-0.1 2,-0.2 39,-0.1 -1,-0.1 0.909 62.3 63.9 -61.3 -47.3 4.6 23.0 1.8 89 90 A L S S- 0 0 38 38,-0.3 38,-0.4 -3,-0.1 34,-0.3 -0.505 74.1-148.7 -88.0 149.7 7.7 24.2 3.7 90 91 A K - 0 0 75 -2,-0.2 2,-1.5 32,-0.1 3,-0.1 -0.738 27.2-104.7-113.9 165.0 11.1 24.5 2.2 91 92 A H + 0 0 1 -2,-0.2 27,-0.8 1,-0.2 30,-0.1 -0.646 53.4 161.8 -90.5 81.2 14.7 24.2 3.4 92 93 A T - 0 0 95 -2,-1.5 25,-0.2 25,-0.2 -1,-0.2 0.622 52.0 -45.0 -84.4 -13.2 15.3 27.9 3.5 93 94 A G S > S- 0 0 10 23,-0.3 3,-1.3 -3,-0.1 23,-0.3 -0.985 84.8 -26.5 170.2-175.3 18.4 28.2 5.8 94 95 A P T 3 S+ 0 0 83 0, 0.0 21,-0.3 0, 0.0 3,-0.1 -0.312 114.6 40.3 -57.5 144.8 20.2 27.1 9.0 95 96 A G T 3 S+ 0 0 6 19,-3.1 36,-1.9 1,-0.3 2,-0.1 0.191 77.0 139.4 99.5 -17.5 17.8 26.0 11.8 96 97 A I E < -G 130 0A 16 -3,-1.3 18,-2.9 34,-0.2 2,-0.5 -0.405 41.2-150.5 -67.2 132.8 15.4 24.1 9.6 97 98 A L E +GH 129 113A 0 32,-2.4 31,-2.5 16,-0.2 32,-1.4 -0.926 26.8 165.4-107.0 123.6 14.2 20.8 11.2 98 99 A S E -GH 127 112A 0 14,-2.4 14,-2.6 -2,-0.5 2,-0.4 -0.920 37.2 -97.4-140.3 158.1 13.3 18.2 8.6 99 100 A M E - 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