==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/VIRAL PROTEIN 18-NOV-96 1FGL . COMPND 2 MOLECULE: CYCLOPHILIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.ZHAO,Y.CHEN,M.SCHUTKOWSKI,G.FISCHER,H.KE . 177 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7934.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 62.7 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 . 47 26.6 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 . 12 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 12.4 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 1 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 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 1 A M 0 0 172 0, 0.0 2,-0.3 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 142.5 -5.6 13.3 19.7 2 2 A V - 0 0 120 163,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.879 360.0-134.9-145.6 115.2 -2.7 11.5 21.2 3 3 A N - 0 0 17 -2,-0.3 22,-0.1 1,-0.1 162,-0.1 -0.501 31.5-101.2 -68.3 137.8 -0.3 9.9 18.6 4 4 A P - 0 0 16 0, 0.0 20,-2.2 0, 0.0 2,-0.5 -0.249 25.7-152.4 -56.7 144.1 0.8 6.2 19.4 5 5 A T E +A 23 0A 2 18,-0.2 159,-2.4 16,-0.0 160,-0.8 -0.990 19.5 179.9-115.6 125.5 4.2 5.5 20.9 6 6 A V E -AB 22 163A 0 16,-1.8 16,-2.9 -2,-0.5 2,-0.3 -0.909 9.0-154.0-124.2 155.1 5.5 2.1 20.0 7 7 A F E -AB 21 162A 21 155,-2.2 155,-1.7 -2,-0.3 2,-0.4 -0.932 9.8-157.4-129.6 157.3 8.8 0.5 20.9 8 8 A F E -AB 20 161A 1 12,-2.3 12,-2.3 -2,-0.3 2,-0.7 -0.998 11.5-150.4-127.5 126.9 11.2 -2.1 19.6 9 9 A D E -AB 19 160A 36 151,-3.1 150,-2.2 -2,-0.4 151,-1.1 -0.917 23.9-146.5 -97.3 115.7 13.6 -3.9 22.0 10 10 A I E -AB 18 158A 2 8,-2.8 7,-3.3 -2,-0.7 8,-1.0 -0.651 14.8-168.6 -88.4 139.3 16.5 -4.7 19.8 11 11 A A E -AB 16 157A 3 146,-2.3 146,-2.7 -2,-0.3 2,-0.6 -0.969 11.5-151.0-126.1 138.3 18.6 -7.9 20.3 12 12 A V E > S-AB 15 156A 19 3,-2.6 3,-2.3 -2,-0.4 144,-0.2 -0.965 86.2 -20.1-115.0 118.6 22.0 -8.6 18.6 13 13 A D T 3 S- 0 0 67 142,-3.3 -1,-0.1 -2,-0.6 143,-0.1 0.662 130.2 -51.1 46.2 33.3 22.5 -12.4 18.2 14 14 A G T 3 S+ 0 0 50 141,-0.4 -1,-0.3 1,-0.2 142,-0.1 0.078 115.6 115.0 96.6 -18.1 19.9 -12.9 20.9 15 15 A E E < S-A 12 0A 145 -3,-2.3 -3,-2.6 1,-0.1 -1,-0.2 -0.705 71.6-119.1 -90.5 116.3 21.6 -10.6 23.4 16 16 A P E +A 11 0A 92 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.235 32.8 177.8 -61.6 131.9 19.3 -7.5 24.1 17 17 A L E - 0 0 67 -7,-3.3 2,-0.3 1,-0.4 -6,-0.2 0.860 47.2 -63.4 -96.8 -57.9 20.8 -4.2 23.2 18 18 A G E -A 10 0A 22 -8,-1.0 -8,-2.8 120,-0.0 -1,-0.4 -0.969 47.1 -81.2 177.1 177.5 18.3 -1.5 23.9 19 19 A R E -A 9 0A 101 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.812 23.8-167.2-107.7 139.3 14.9 0.1 23.2 20 20 A V E -A 8 0A 2 -12,-2.3 -12,-2.3 -2,-0.3 2,-0.4 -0.990 14.1-163.7-120.6 133.4 14.1 2.5 20.3 21 21 A S E -AC 7 134A 0 113,-2.9 112,-3.3 -2,-0.4 113,-1.2 -0.953 2.3-161.6-118.9 150.4 10.7 4.2 20.6 22 22 A F E -AC 6 132A 0 -16,-2.9 -16,-1.8 -2,-0.4 2,-0.5 -0.918 17.4-142.4-130.4 145.3 8.7 6.0 17.9 23 23 A E E -AC 5 131A 47 108,-2.4 108,-1.9 -2,-0.3 2,-0.5 -0.918 25.6-146.9 -98.1 134.9 6.0 8.5 17.7 24 24 A L E - C 0 130A 0 -20,-2.2 2,-2.4 -2,-0.5 3,-0.3 -0.918 12.3-130.1-103.8 130.1 3.7 7.5 14.8 25 25 A F >> + 0 0 27 104,-2.7 4,-3.1 -2,-0.5 3,-1.4 -0.310 46.7 153.2 -78.6 67.6 2.0 10.5 12.9 26 26 A A T 34 + 0 0 32 -2,-2.4 -1,-0.2 1,-0.3 8,-0.1 0.797 66.7 62.8 -68.1 -24.7 -1.5 9.1 13.0 27 27 A D T 34 S+ 0 0 60 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.656 120.2 22.4 -74.9 -16.5 -3.0 12.6 12.9 28 28 A K T <4 S+ 0 0 100 -3,-1.4 -2,-0.2 101,-0.1 -1,-0.2 0.606 136.0 29.6-121.3 -25.5 -1.4 13.1 9.5 29 29 A V S X S+ 0 0 0 -4,-3.1 4,-2.6 100,-0.2 5,-0.3 -0.540 72.5 165.3-132.8 62.8 -0.8 9.7 7.9 30 30 A P H > S+ 0 0 71 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.874 70.8 43.3 -57.7 -43.3 -3.6 7.7 9.6 31 31 A K H > S+ 0 0 49 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.915 116.8 45.4 -74.0 -39.9 -3.7 4.5 7.5 32 32 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.930 115.3 48.0 -69.2 -42.3 0.2 4.0 7.3 33 33 A A H X S+ 0 0 1 -4,-2.6 4,-2.6 -8,-0.2 -2,-0.2 0.935 110.3 51.8 -65.3 -42.0 0.6 4.7 11.1 34 34 A E H X S+ 0 0 70 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.909 107.2 53.4 -63.7 -38.0 -2.2 2.3 12.0 35 35 A N H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.976 112.5 42.6 -59.9 -50.8 -0.7 -0.5 9.9 36 36 A F H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.901 114.7 52.8 -64.9 -38.3 2.8 -0.1 11.7 37 37 A R H >X S+ 0 0 27 -4,-2.6 4,-1.9 2,-0.2 3,-0.5 0.950 110.0 44.9 -62.2 -53.4 1.0 0.2 15.1 38 38 A A H 3X>S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.3 5,-0.6 0.842 112.8 52.1 -64.5 -32.1 -1.1 -3.0 14.8 39 39 A L H 3<5S+ 0 0 1 -4,-1.9 9,-1.9 -5,-0.3 10,-0.5 0.778 107.6 53.9 -72.8 -25.3 2.0 -4.9 13.5 40 40 A S H <<5S+ 0 0 2 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.876 116.3 36.2 -73.4 -37.1 3.9 -3.7 16.6 41 41 A T H <5S- 0 0 53 -4,-1.9 -2,-0.2 121,-0.2 -3,-0.1 0.795 99.2-137.2 -84.4 -29.9 1.3 -5.0 19.1 42 42 A G T ><5 + 0 0 30 -4,-2.0 3,-1.8 -5,-0.2 -3,-0.2 0.619 54.1 143.9 82.4 17.7 0.5 -8.1 17.0 43 43 A E T 3 < + 0 0 88 -5,-0.6 -4,-0.1 1,-0.3 4,-0.1 0.621 66.0 55.5 -64.7 -14.4 -3.2 -7.7 17.6 44 44 A K T 3 S- 0 0 110 -6,-0.5 -1,-0.3 2,-0.5 3,-0.1 0.509 125.4 -94.9 -96.2 -3.1 -4.2 -8.9 14.1 45 45 A G S < S+ 0 0 68 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.338 99.2 48.7 112.6 -6.7 -2.3 -12.2 14.5 46 46 A F + 0 0 68 -8,-0.1 -2,-0.5 0, 0.0 2,-0.3 -0.959 61.4 126.9-155.9 164.7 1.1 -11.4 12.9 47 47 A G - 0 0 15 -2,-0.3 -7,-0.2 2,-0.2 4,-0.1 -0.995 62.8 -49.2 167.6-167.5 3.7 -8.7 13.3 48 48 A Y S > S+ 0 0 0 -9,-1.9 3,-2.4 -2,-0.3 110,-0.3 0.640 77.6 118.7 -75.0 -23.1 7.1 -7.5 13.9 49 49 A K T 3 S+ 0 0 143 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.271 90.4 8.4 -56.7 123.7 8.0 -9.4 17.1 50 50 A G T 3 S+ 0 0 48 108,-3.1 -1,-0.3 1,-0.3 -2,-0.1 0.093 97.2 125.0 95.6 -17.9 11.0 -11.6 16.2 51 51 A S < - 0 0 1 -3,-2.4 107,-2.3 106,-0.1 -1,-0.3 -0.182 51.5-130.5 -68.9 165.7 11.7 -10.2 12.7 52 52 A C B -D 157 0A 30 14,-0.3 2,-0.9 105,-0.2 13,-0.7 -0.678 16.0-111.5-115.9 168.1 15.1 -8.9 11.9 53 53 A F + 0 0 2 103,-2.0 103,-0.4 -2,-0.2 11,-0.3 -0.888 39.0 179.0 -93.0 104.2 16.7 -5.9 10.3 54 54 A H + 0 0 13 -2,-0.9 2,-0.4 9,-0.3 98,-0.3 0.676 63.2 42.9 -84.6 -17.5 17.9 -7.5 7.1 55 55 A R E +E 63 0A 36 8,-1.7 8,-3.1 96,-0.1 2,-0.4 -0.966 59.2 165.3-138.2 114.3 19.4 -4.5 5.4 56 56 A I E -E 62 0A 0 94,-1.9 91,-1.8 -2,-0.4 94,-0.3 -0.982 9.7-175.1-131.5 118.1 21.6 -1.9 7.2 57 57 A I E >> -E 61 0A 14 4,-2.6 3,-2.2 -2,-0.4 4,-1.6 -0.945 31.0-123.5-117.1 108.3 23.6 0.6 5.2 58 58 A P T 34 S+ 0 0 59 0, 0.0 82,-0.0 0, 0.0 86,-0.0 -0.134 94.4 15.5 -50.0 135.5 25.8 2.8 7.6 59 59 A G T 34 S+ 0 0 51 1,-0.1 56,-0.0 57,-0.0 84,-0.0 0.448 127.6 56.4 77.3 -1.6 25.1 6.5 7.1 60 60 A F T <4 S- 0 0 5 -3,-2.2 56,-2.6 1,-0.3 57,-0.6 0.656 106.4 -53.9-120.6 -69.5 21.9 5.9 5.2 61 61 A M E < -EF 57 115A 0 -4,-1.6 -4,-2.6 54,-0.3 2,-0.4 -0.980 29.8-120.7-171.7 164.4 19.3 3.8 7.0 62 62 A C E -EF 56 114A 0 52,-1.5 52,-2.6 -2,-0.3 2,-0.4 -0.989 33.3-165.5-119.4 127.5 18.3 0.6 8.8 63 63 A Q E +EF 55 113A 0 -8,-3.1 -8,-1.7 -2,-0.4 -9,-0.3 -0.944 22.2 133.7-123.3 142.2 15.5 -1.5 7.2 64 64 A G E + F 0 112A 0 48,-2.0 48,-1.9 -2,-0.4 -11,-0.2 -0.757 19.8 110.6-157.7-163.8 13.5 -4.3 8.6 65 65 A G + 0 0 0 -13,-0.7 2,-1.7 46,-0.3 -12,-0.1 0.420 41.9 128.3 99.7 -2.8 9.9 -5.5 8.8 66 66 A D > + 0 0 1 -14,-0.5 4,-1.0 1,-0.2 -14,-0.3 -0.589 23.2 161.9 -85.0 81.8 10.0 -8.5 6.5 67 67 A F T 4 + 0 0 30 -2,-1.7 -1,-0.2 2,-0.1 -20,-0.1 0.499 68.1 47.0 -83.8 2.3 8.5 -10.9 8.9 68 68 A T T 4 S+ 0 0 56 -3,-0.1 -1,-0.1 -17,-0.0 -2,-0.1 0.844 129.8 13.4-104.9 -48.0 7.5 -13.6 6.3 69 69 A R T 4 S- 0 0 158 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.641 81.8-145.8-102.9 -20.6 10.7 -13.9 4.1 70 70 A H S < S+ 0 0 96 -4,-1.0 -3,-0.1 1,-0.1 -5,-0.0 0.745 80.6 75.7 62.2 29.6 13.3 -12.1 6.3 71 71 A N S S- 0 0 70 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.319 114.1 -84.3-151.9 8.1 15.2 -10.8 3.3 72 72 A G S S+ 0 0 1 96,-0.1 97,-2.8 -6,-0.1 39,-0.1 0.399 110.0 86.7 101.5 -6.1 13.3 -7.9 1.7 73 73 A T S S+ 0 0 60 95,-0.2 95,-0.0 -7,-0.1 0, 0.0 0.793 84.6 45.0 -97.3 -29.5 11.0 -9.9 -0.5 74 74 A G + 0 0 8 -8,-0.1 36,-0.3 95,-0.1 37,-0.3 0.164 53.1 110.2 -98.2-149.0 8.1 -10.6 1.9 75 75 A G - 0 0 9 -9,-0.1 2,-0.3 34,-0.1 -9,-0.1 -0.101 37.9-149.6 96.1 162.5 5.9 -8.9 4.4 76 76 A K - 0 0 48 -2,-0.1 5,-0.2 33,-0.1 33,-0.2 -0.962 12.9-121.8-161.2 151.8 2.2 -8.0 4.2 77 77 A S - 0 0 2 3,-2.4 3,-0.2 -2,-0.3 33,-0.1 -0.457 29.7-108.7 -93.4 176.9 0.1 -5.2 5.7 78 78 A I S S+ 0 0 43 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.616 121.6 54.5 -76.1 -12.3 -2.9 -5.4 7.9 79 79 A Y S S- 0 0 94 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.675 129.1 -66.3 -92.2 -24.8 -4.8 -4.3 4.8 80 80 A G S S- 0 0 24 -3,-0.2 -3,-2.4 1,-0.1 -1,-0.4 -0.936 74.1 -54.0 154.4-172.2 -3.6 -7.0 2.4 81 81 A E S S+ 0 0 112 -2,-0.3 2,-0.3 -5,-0.2 -1,-0.1 0.892 122.7 10.0 -66.1 -33.7 -0.2 -7.8 0.9 82 82 A K - 0 0 92 -6,-0.1 2,-0.3 -3,-0.1 27,-0.2 -0.950 65.1-173.2-142.2 150.2 0.2 -4.3 -0.5 83 83 A F B -I 108 0B 5 25,-1.5 25,-1.8 -2,-0.3 3,-0.1 -0.976 32.3 -86.6-142.5 163.6 -1.6 -0.9 -0.1 84 84 A E - 0 0 105 -2,-0.3 2,-0.4 23,-0.2 3,-0.1 -0.167 42.6 -93.4 -77.1 157.3 -1.3 2.5 -1.6 85 85 A D - 0 0 25 1,-0.2 -1,-0.1 -53,-0.0 3,-0.1 -0.539 36.8-158.7 -68.5 119.6 0.9 5.4 -0.9 86 86 A E - 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