==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 27-FEB-96 5CYH . 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) . 7206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 65.7 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 . 52 31.3 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 . 1 0.6 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 . 14 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.0 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 . 0 0.0 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 . 2 1 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 0 171 0, 0.0 3,-0.0 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0 -44.6 0.8 28.4 20.1 2 3 A N - 0 0 25 23,-0.1 22,-0.1 22,-0.0 0, 0.0 -0.894 360.0-102.9 -91.6 141.8 3.0 26.2 17.9 3 4 A P - 0 0 20 0, 0.0 20,-1.9 0, 0.0 2,-0.4 -0.274 33.1-152.6 -62.6 149.7 4.6 23.7 20.4 4 5 A T E -A 22 0A 5 18,-0.2 159,-3.0 16,-0.0 160,-1.1 -0.984 13.9-177.5-119.7 138.3 8.2 24.3 21.4 5 6 A V E -AB 21 162A 0 16,-2.1 16,-2.5 -2,-0.4 2,-0.3 -0.858 8.6-152.4-126.2 164.8 10.4 21.4 22.5 6 7 A F E -AB 20 161A 20 155,-2.5 155,-1.7 -2,-0.3 2,-0.4 -0.966 6.3-158.1-134.4 156.5 14.0 21.3 23.7 7 8 A F E -AB 19 160A 0 12,-2.3 12,-2.3 -2,-0.3 2,-0.6 -0.982 13.0-146.4-125.4 142.3 16.9 19.0 23.7 8 9 A D E -AB 18 159A 39 151,-3.6 150,-1.9 -2,-0.4 151,-1.4 -0.963 23.3-148.9-108.1 126.9 19.7 19.2 26.2 9 10 A I E -AB 17 157A 3 8,-2.9 7,-3.1 -2,-0.6 8,-1.1 -0.774 16.5-175.6-102.6 142.2 22.9 18.1 24.5 10 11 A A E -AB 15 156A 6 146,-1.8 146,-2.3 -2,-0.3 2,-0.5 -0.969 16.9-147.3-135.5 143.2 25.9 16.4 26.1 11 12 A V E > S-AB 14 155A 17 3,-2.6 3,-1.9 -2,-0.3 144,-0.2 -0.978 87.6 -24.1-115.8 112.4 29.3 15.5 24.4 12 13 A D T 3 S- 0 0 91 142,-2.7 -1,-0.1 -2,-0.5 143,-0.1 0.706 130.3 -49.7 51.3 26.3 30.6 12.3 26.0 13 14 A G T 3 S+ 0 0 52 1,-0.3 -1,-0.3 141,-0.3 3,-0.0 -0.067 112.9 118.6 105.0 -33.8 28.6 13.2 29.1 14 15 A E E < S-A 11 0A 142 -3,-1.9 -3,-2.6 -4,-0.1 -1,-0.3 -0.469 71.3-114.0 -69.1 124.9 29.7 16.9 29.4 15 16 A P E +A 10 0A 116 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.341 35.5 176.6 -60.1 139.0 26.8 19.2 29.1 16 17 A L E - 0 0 57 -7,-3.1 2,-0.3 1,-0.3 -6,-0.2 0.691 46.0 -87.4-108.2 -64.4 26.9 21.4 26.0 17 18 A G E -A 9 0A 23 -8,-1.1 -8,-2.9 120,-0.0 2,-0.4 -0.982 40.5 -67.7 169.5-175.7 23.7 23.4 26.1 18 19 A R E -A 8 0A 110 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.881 27.3-168.6-110.7 136.8 20.1 23.5 25.1 19 20 A V E -A 7 0A 2 -12,-2.3 -12,-2.3 -2,-0.4 2,-0.4 -0.950 10.2-164.1-115.4 131.3 18.4 23.8 21.6 20 21 A S E -AC 6 133A 3 113,-2.4 112,-2.9 -2,-0.4 113,-1.1 -0.945 5.3-159.1-114.7 150.0 14.7 24.5 21.5 21 22 A F E -AC 5 131A 0 -16,-2.5 -16,-2.1 -2,-0.4 2,-0.5 -0.975 12.5-140.7-130.5 136.4 12.7 23.9 18.2 22 23 A E E -AC 4 130A 39 108,-2.9 108,-2.1 -2,-0.4 2,-0.5 -0.869 21.3-148.1 -92.9 133.5 9.4 25.4 17.1 23 24 A L E - C 0 129A 0 -20,-1.9 2,-2.2 -2,-0.5 106,-0.3 -0.913 9.7-136.9-110.0 124.7 7.3 22.8 15.4 24 25 A F >> + 0 0 30 104,-2.2 4,-3.0 -2,-0.5 3,-1.4 -0.389 40.4 156.2 -81.5 68.0 4.9 23.9 12.6 25 26 A A T 34 + 0 0 33 -2,-2.2 -1,-0.2 1,-0.3 8,-0.1 0.747 70.0 67.0 -66.0 -20.7 2.0 21.8 13.7 26 27 A D T 34 S+ 0 0 97 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.809 116.3 22.8 -68.1 -33.3 -0.1 24.3 11.8 27 28 A K T <4 S+ 0 0 74 -3,-1.4 -2,-0.2 1,-0.2 61,-0.2 0.734 139.6 22.1-105.4 -29.6 1.4 23.2 8.5 28 29 A V S X S+ 0 0 0 -4,-3.0 4,-2.4 100,-0.2 5,-0.2 -0.615 70.2 162.0-135.1 68.7 2.7 19.6 9.0 29 30 A P H > S+ 0 0 66 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.880 71.1 48.6 -62.9 -40.6 0.6 18.4 12.0 30 31 A K H > S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.896 117.9 42.4 -66.2 -41.5 1.2 14.5 11.7 31 32 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.878 116.2 48.5 -69.4 -45.9 4.9 15.0 11.3 32 33 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.889 110.3 49.9 -72.2 -33.8 5.1 17.6 14.0 33 34 A E H X S+ 0 0 64 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.935 108.0 56.2 -66.3 -41.8 3.0 15.6 16.6 34 35 A N H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.944 111.4 41.4 -53.3 -52.6 5.3 12.6 15.8 35 36 A F H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.909 115.7 52.0 -65.5 -38.5 8.5 14.7 16.8 36 37 A R H X S+ 0 0 34 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.948 109.8 47.2 -59.9 -52.4 6.6 16.2 19.8 37 38 A A H X S+ 0 0 1 -4,-3.4 4,-1.7 1,-0.2 6,-0.6 0.803 112.7 50.1 -60.9 -28.4 5.5 12.9 21.3 38 39 A L H < S+ 0 0 1 -4,-1.5 9,-2.4 -5,-0.3 10,-0.4 0.821 109.5 51.3 -82.9 -28.0 9.1 11.5 20.8 39 40 A S H < S+ 0 0 1 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.866 116.9 38.0 -71.6 -40.0 10.6 14.5 22.6 40 41 A T H < S- 0 0 49 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.826 98.3-141.0 -79.5 -32.6 8.3 14.2 25.6 41 42 A G >< + 0 0 26 -4,-1.7 3,-2.7 -5,-0.3 -3,-0.1 0.440 52.1 144.0 90.8 3.1 8.4 10.4 25.5 42 43 A E T 3 + 0 0 95 1,-0.3 -4,-0.1 -5,-0.2 4,-0.1 0.648 61.6 57.1 -57.2 -16.6 4.8 10.2 26.4 43 44 A K T 3 S- 0 0 94 -6,-0.6 -1,-0.3 2,-0.5 3,-0.1 0.463 125.1 -92.5 -94.5 5.0 4.0 7.1 24.2 44 45 A G S < S+ 0 0 72 -3,-2.7 2,-0.3 1,-0.2 -2,-0.1 0.147 102.1 49.4 114.4 -19.0 6.6 5.0 26.0 45 46 A F + 0 0 69 -8,-0.1 -2,-0.5 -4,-0.1 2,-0.3 -0.907 61.6 123.3-145.4 166.6 9.7 5.5 23.7 46 47 A G - 0 0 12 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.992 64.7 -46.3 164.2-164.1 11.4 8.5 22.3 47 48 A Y S > S+ 0 0 0 -9,-2.4 3,-2.4 -2,-0.3 110,-0.3 0.516 77.6 120.2 -81.7 -10.6 14.5 10.5 21.9 48 49 A K T 3 S+ 0 0 132 -10,-0.4 -2,-0.2 1,-0.3 110,-0.2 -0.408 85.5 10.9 -71.8 125.7 15.9 10.7 25.4 49 50 A G T 3 S+ 0 0 55 108,-2.9 -1,-0.3 1,-0.3 109,-0.1 0.306 99.2 125.1 93.8 -1.8 19.2 9.2 25.7 50 51 A S < - 0 0 4 -3,-2.4 107,-2.7 107,-0.2 -1,-0.3 -0.382 50.2-124.6 -91.2 169.2 19.9 8.9 21.9 51 52 A C E -D 156 0A 7 14,-0.4 2,-0.8 105,-0.3 13,-0.5 -0.578 14.9-116.0-111.1 166.2 22.7 10.2 19.9 52 53 A F E -DE 155 63A 0 103,-2.3 103,-0.5 11,-0.2 11,-0.3 -0.926 37.0-178.2 -92.0 110.8 23.4 12.4 16.8 53 54 A H E + 0 0 26 9,-1.0 2,-0.4 -2,-0.8 98,-0.3 0.689 60.1 38.2 -91.7 -13.4 24.9 9.8 14.6 54 55 A R E + E 0 62A 68 8,-1.7 8,-3.3 96,-0.1 2,-0.5 -0.963 57.2 168.1-145.2 113.5 25.8 11.7 11.5 55 56 A I E - E 0 61A 0 94,-1.3 91,-2.2 -2,-0.4 94,-0.3 -0.995 7.9-176.4-132.9 119.2 27.2 15.3 11.5 56 57 A I E >> - E 0 60A 24 4,-2.5 4,-1.6 -2,-0.5 3,-1.6 -0.971 32.6-122.9-118.6 105.2 28.6 16.6 8.3 57 58 A P T 34 S+ 0 0 61 0, 0.0 86,-0.0 0, 0.0 82,-0.0 -0.244 93.0 18.3 -54.4 130.5 29.9 20.1 9.0 58 59 A G T 34 S+ 0 0 49 1,-0.1 56,-0.0 81,-0.1 81,-0.0 0.532 128.5 51.7 86.4 9.6 28.5 22.9 6.9 59 60 A F T <4 S- 0 0 34 -3,-1.6 56,-2.0 1,-0.2 57,-0.6 0.508 107.0 -38.5-140.7 -73.4 25.5 20.8 5.9 60 61 A M E < -EF 56 114A 0 -4,-1.6 -4,-2.5 54,-0.3 2,-0.5 -0.993 30.3-130.4-165.2 161.8 23.5 19.1 8.8 61 62 A C E -EF 55 113A 0 52,-1.6 52,-2.2 -2,-0.3 2,-0.4 -0.989 32.6-164.7-114.8 125.3 23.4 17.3 12.1 62 63 A Q E +EF 54 112A 6 -8,-3.3 -8,-1.7 -2,-0.5 -9,-1.0 -0.937 23.5 134.5-122.5 137.6 21.3 14.1 12.1 63 64 A G E +EF 52 111A 0 48,-1.6 48,-1.3 -2,-0.4 -11,-0.2 -0.576 21.0 111.8-149.3-153.5 20.0 12.0 15.0 64 65 A G + 0 0 0 -13,-0.5 2,-1.6 46,-0.3 11,-0.3 0.323 45.0 122.8 93.8 -8.3 16.6 10.3 15.9 65 66 A D > + 0 0 0 -14,-0.4 4,-0.9 1,-0.2 -14,-0.4 -0.572 25.6 159.5 -87.8 86.7 17.8 6.7 15.6 66 67 A F T 4 + 0 0 32 -2,-1.6 -1,-0.2 1,-0.2 -20,-0.1 0.542 66.6 48.4 -87.0 1.5 16.9 5.6 19.1 67 68 A T T 4 S+ 0 0 60 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.757 128.7 13.9-109.3 -33.7 16.8 1.8 18.4 68 69 A R T 4 S- 0 0 158 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.568 85.5-145.4-122.9 -8.3 19.9 1.1 16.5 69 70 A H S < S+ 0 0 95 -4,-0.9 -3,-0.1 1,-0.1 -4,-0.1 0.585 80.1 74.1 59.7 19.4 21.9 4.3 17.2 70 71 A N S S- 0 0 91 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.429 116.4 -82.9-140.8 3.1 23.6 4.5 13.8 71 72 A G S S+ 0 0 24 -6,-0.1 39,-0.1 -17,-0.0 -5,-0.1 0.319 107.3 95.1 106.3 -8.4 21.1 5.5 11.2 72 73 A T S S+ 0 0 91 -7,-0.1 2,-0.2 -4,-0.0 -7,-0.0 0.379 85.3 28.2 -99.2 7.5 19.5 2.1 10.6 73 74 A G + 0 0 20 2,-0.0 36,-0.3 35,-0.0 37,-0.2 -0.502 52.0 120.6-137.3-151.5 16.6 2.3 13.0 74 75 A G - 0 0 9 -9,-0.2 2,-0.3 -2,-0.2 -9,-0.1 -0.388 36.3-143.3 106.9 168.1 14.0 4.4 14.7 75 76 A K - 0 0 58 -11,-0.3 5,-0.2 -2,-0.2 2,-0.2 -0.955 9.2-121.6-161.6 160.2 10.3 4.4 14.5 76 77 A S B > -I 79 0B 2 3,-2.1 3,-0.8 -2,-0.3 33,-0.1 -0.540 31.6-108.0 -98.8 174.5 7.5 6.8 14.6 77 78 A I T 3 S+ 0 0 36 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.471 119.9 51.8 -74.5 0.4 4.5 7.0 16.9 78 79 A Y T 3 S- 0 0 89 1,-0.5 2,-0.3 30,-0.1 -1,-0.2 0.529 124.8 -64.9-113.8 -9.9 2.4 5.7 13.9 79 80 A G B < S-I 76 0B 33 -3,-0.8 -3,-2.1 1,-0.2 -1,-0.5 -0.916 74.6 -51.0 150.4-174.7 4.3 2.6 12.9 80 81 A E S S+ 0 0 130 -2,-0.3 2,-0.3 -5,-0.2 -1,-0.2 0.882 122.6 3.3 -55.1 -39.4 7.7 1.7 11.4 81 82 A K - 0 0 137 -3,-0.1 2,-0.3 -6,-0.1 27,-0.2 -0.884 63.5-165.5-141.1 158.8 7.2 4.3 8.7 82 83 A F B -J 107 0C 2 25,-1.3 25,-2.4 -2,-0.3 3,-0.1 -0.973 32.3 -87.8-146.7 163.2 4.6 7.0 7.6 83 84 A E - 0 0 80 -2,-0.3 2,-0.6 23,-0.2 3,-0.1 -0.077 44.6 -92.8 -64.3 162.4 4.0 9.0 4.4 84 85 A D - 0 0 24 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.721 38.1-155.3 -78.1 121.5 5.4 12.3 3.4 85 86 A E - 0 0 55 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.925 56.1 -49.2 -71.8 -47.3 2.8 14.6 4.7 86 87 A N - 0 0 37 -3,-0.1 -1,-0.3 41,-0.1 41,-0.1 -0.947 36.1-127.1-173.2 175.5 3.4 17.5 2.3 87 88 A F + 0 0 72 -2,-0.3 36,-0.1 39,-0.1 38,-0.1 -0.049 61.0 126.0-130.3 35.9 6.2 19.6 0.9 88 89 A I + 0 0 104 -61,-0.2 2,-0.3 39,-0.1 -1,-0.1 0.854 65.3 60.4 -57.8 -43.6 4.9 23.1 1.7 89 90 A L S S- 0 0 35 38,-0.3 38,-0.5 -3,-0.1 34,-0.4 -0.666 72.2-157.7 -98.4 149.9 8.0 24.2 3.6 90 91 A K - 0 0 88 -2,-0.3 2,-1.5 32,-0.1 3,-0.1 -0.755 31.6 -96.1-124.3 171.3 11.4 24.3 2.1 91 92 A H + 0 0 3 -2,-0.2 27,-0.5 27,-0.2 31,-0.1 -0.620 52.8 160.6 -93.7 83.0 15.0 24.3 3.3 92 93 A T - 0 0 103 -2,-1.5 25,-0.2 25,-0.2 -1,-0.2 0.575 55.8 -43.8 -82.6 -10.7 15.7 28.0 3.3 93 94 A G S > S- 0 0 11 23,-0.3 3,-1.1 -3,-0.1 23,-0.3 -0.985 85.4 -26.4 165.2-180.0 18.6 28.3 5.6 94 95 A P T 3 S+ 0 0 77 0, 0.0 21,-0.3 0, 0.0 3,-0.1 -0.184 112.8 39.3 -53.8 151.0 20.3 27.1 8.9 95 96 A G T 3 S+ 0 0 5 19,-3.5 36,-2.0 1,-0.3 2,-0.2 0.376 77.1 141.0 88.9 -9.4 18.1 26.0 11.7 96 97 A I E < -G 130 0A 14 -3,-1.1 18,-2.7 18,-0.2 2,-0.6 -0.482 41.3-148.5 -71.2 139.6 15.6 24.1 9.5 97 98 A L E +GH 129 113A 0 32,-2.7 31,-3.0 16,-0.2 32,-1.5 -0.941 26.9 166.2-112.7 120.6 14.3 20.9 11.0 98 99 A S E -GH 127 112A 0 14,-2.1 14,-2.1 -2,-0.6 2,-0.3 -0.904 36.7-103.5-135.3 154.9 13.5 18.3 8.4 99 100 A M E - 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