==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-SEP-09 3K0O . COMPND 2 MOLECULE: CYCLOPHILIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.FRASER,T.ALBER . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 65.9 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 . 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 . 1 0.6 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 . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.4 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 . 2 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 0 193 0, 0.0 24,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.3 -33.6 28.4 -20.1 2 3 A N - 0 0 28 1,-0.1 22,-0.1 20,-0.0 2,-0.0 -0.259 360.0-103.1 -58.7 149.4 -33.9 24.6 -19.7 3 4 A P - 0 0 32 0, 0.0 20,-2.5 0, 0.0 2,-0.4 -0.322 27.8-145.8 -73.9 152.8 -37.1 23.3 -18.1 4 5 A T E -A 22 0A 14 159,-0.4 159,-2.6 18,-0.2 2,-0.3 -0.980 17.2-178.6-119.3 131.6 -37.3 22.2 -14.5 5 6 A V E -AB 21 162A 0 16,-2.1 16,-2.7 -2,-0.4 2,-0.3 -0.864 9.4-150.0-124.9 163.3 -39.5 19.3 -13.3 6 7 A F E -AB 20 161A 19 155,-2.6 155,-1.5 -2,-0.3 2,-0.4 -0.950 8.8-157.8-132.5 154.5 -40.1 17.8 -9.9 7 8 A F E -AB 19 160A 0 12,-2.5 12,-2.5 -2,-0.3 2,-0.6 -1.000 13.3-147.3-121.8 133.7 -41.0 14.6 -8.3 8 9 A D E -AB 18 159A 39 151,-3.1 150,-2.3 -2,-0.4 151,-1.0 -0.900 26.4-149.6 -93.7 124.6 -42.5 14.4 -4.8 9 10 A I E -AB 17 157A 5 8,-2.8 7,-2.8 -2,-0.6 8,-1.2 -0.779 16.2-174.3-102.7 136.1 -41.2 11.1 -3.4 10 11 A A E -AB 15 156A 6 146,-2.6 146,-2.5 -2,-0.4 2,-0.5 -0.940 13.7-152.0-123.4 152.3 -43.0 9.0 -0.9 11 12 A V E > S-AB 14 155A 13 3,-2.5 3,-2.1 -2,-0.3 144,-0.2 -0.977 85.1 -19.4-123.4 119.8 -41.8 5.8 1.0 12 13 A D T 3 S- 0 0 91 142,-2.9 -1,-0.1 -2,-0.5 143,-0.1 0.879 131.0 -52.9 45.8 38.5 -44.6 3.4 2.0 13 14 A G T 3 S+ 0 0 65 141,-0.4 -1,-0.3 1,-0.2 142,-0.1 0.358 114.2 115.3 89.5 -4.6 -46.9 6.3 1.5 14 15 A E E < S-A 11 0A 144 -3,-2.1 -3,-2.5 1,-0.1 -1,-0.2 -0.814 71.9-104.4-104.2 137.3 -45.1 8.8 3.8 15 16 A P E +A 10 0A 122 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.321 34.9 173.7 -66.2 137.8 -43.5 12.0 2.3 16 17 A L E - 0 0 64 -7,-2.8 2,-0.3 1,-0.4 -6,-0.2 0.656 53.2-100.0-104.9 -28.8 -39.7 12.1 1.9 17 18 A G E -A 9 0A 28 -8,-1.2 -8,-2.8 2,-0.0 2,-0.4 -0.827 41.5 -54.6 134.5-177.3 -39.6 15.4 0.1 18 19 A R E -A 8 0A 116 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.875 34.2-167.3-108.2 130.9 -39.3 17.0 -3.4 19 20 A V E -A 7 0A 2 -12,-2.5 -12,-2.5 -2,-0.4 2,-0.3 -0.944 11.0-163.1-109.3 133.6 -36.5 16.4 -5.9 20 21 A S E -AC 6 133A 6 113,-2.4 112,-2.9 -2,-0.4 113,-0.7 -0.873 2.1-160.4-119.2 155.0 -36.2 18.7 -8.9 21 22 A F E -AC 5 131A 0 -16,-2.7 -16,-2.1 -2,-0.3 2,-0.5 -0.990 16.1-138.0-135.2 141.3 -34.3 18.2 -12.1 22 23 A E E -AC 4 130A 44 108,-2.5 108,-2.0 -2,-0.4 2,-0.5 -0.829 23.6-148.0 -91.8 131.2 -33.0 20.4 -14.9 23 24 A L E - C 0 129A 0 -20,-2.5 2,-2.2 -2,-0.5 106,-0.3 -0.906 12.7-131.4-103.4 131.1 -33.6 18.8 -18.3 24 25 A F >> + 0 0 23 104,-2.5 4,-2.5 -2,-0.5 3,-2.0 -0.361 44.2 155.0 -83.5 66.9 -31.0 19.5 -20.9 25 26 A A T 34 + 0 0 35 -2,-2.2 -1,-0.2 1,-0.3 8,-0.1 0.703 67.5 66.7 -66.7 -20.0 -33.4 20.5 -23.7 26 27 A D T 34 S+ 0 0 100 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.635 116.2 24.1 -74.6 -13.3 -30.6 22.6 -25.3 27 28 A K T <4 S+ 0 0 94 -3,-2.0 -2,-0.2 101,-0.1 61,-0.1 0.706 137.7 21.8-121.4 -34.1 -28.6 19.3 -26.1 28 29 A V X + 0 0 0 -4,-2.5 4,-2.5 100,-0.1 5,-0.3 -0.624 66.3 165.8-136.4 73.3 -31.2 16.5 -26.3 29 30 A P H > S+ 0 0 72 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.855 75.1 49.5 -66.1 -36.0 -34.6 18.1 -27.0 30 31 A K H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.914 114.8 43.7 -68.5 -41.8 -36.4 14.9 -27.9 31 32 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.903 115.3 49.0 -72.6 -38.1 -35.3 13.0 -24.9 32 33 A A H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.914 109.1 53.2 -66.8 -40.9 -35.9 15.9 -22.5 33 34 A E H X S+ 0 0 65 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.895 105.7 53.6 -62.1 -40.9 -39.4 16.5 -24.0 34 35 A N H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.959 113.3 41.8 -58.1 -51.0 -40.4 12.9 -23.4 35 36 A F H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.919 114.5 52.9 -64.6 -41.7 -39.4 13.0 -19.7 36 37 A R H X S+ 0 0 34 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.930 111.3 44.5 -57.4 -49.9 -41.0 16.5 -19.3 37 38 A A H X>S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-0.6 0.848 111.2 53.1 -70.5 -34.6 -44.4 15.5 -20.7 38 39 A L H <5S+ 0 0 1 -4,-2.0 9,-2.0 -5,-0.3 10,-0.4 0.800 109.6 51.5 -68.0 -26.4 -44.5 12.2 -18.7 39 40 A S H <5S+ 0 0 1 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.842 113.4 41.4 -79.6 -34.2 -43.8 14.3 -15.6 40 41 A T H <5S- 0 0 48 -4,-1.8 -2,-0.2 121,-0.2 -1,-0.2 0.862 97.9-135.8 -78.4 -34.4 -46.6 16.8 -16.2 41 42 A G T ><5 + 0 0 32 -4,-2.1 3,-2.2 4,-0.2 -3,-0.1 0.493 56.1 142.5 88.4 10.3 -49.1 14.2 -17.4 42 43 A E T 3 < + 0 0 97 -5,-0.6 -4,-0.1 1,-0.3 4,-0.1 0.674 65.9 53.8 -62.0 -19.8 -50.2 16.4 -20.3 43 44 A K T 3 S- 0 0 113 -6,-0.5 -1,-0.3 2,-0.5 3,-0.1 0.476 124.3 -99.0 -94.0 -2.3 -50.6 13.5 -22.7 44 45 A G S < S+ 0 0 70 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.446 98.3 55.5 103.8 1.6 -52.9 11.7 -20.4 45 46 A F + 0 0 64 -8,-0.2 -2,-0.5 -4,-0.0 2,-0.3 -0.966 60.3 107.5-153.3 165.3 -50.4 9.3 -18.9 46 47 A G - 0 0 15 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.999 68.4 -31.7 156.8-157.4 -47.1 9.4 -17.1 47 48 A Y S > S+ 0 0 0 -9,-2.0 3,-2.4 -2,-0.3 110,-0.3 0.616 78.6 116.9 -78.3 -19.1 -45.0 9.0 -14.0 48 49 A K T 3 S+ 0 0 137 -10,-0.4 110,-0.2 1,-0.3 -2,-0.2 -0.340 88.6 11.2 -56.8 128.3 -47.4 10.1 -11.3 49 50 A G T 3 S+ 0 0 52 108,-3.3 -1,-0.3 1,-0.3 109,-0.1 0.327 99.9 123.9 86.3 -3.9 -48.1 7.1 -8.9 50 51 A S < - 0 0 0 -3,-2.4 107,-2.8 107,-0.3 -1,-0.3 -0.340 48.9-134.5 -87.3 171.8 -45.3 5.0 -10.4 51 52 A C B -D 156 0A 9 14,-0.4 2,-0.8 105,-0.2 13,-0.6 -0.683 17.9-109.1-124.4 169.2 -42.4 3.5 -8.4 52 53 A F E -E 63 0A 2 103,-2.3 103,-0.5 -2,-0.2 11,-0.2 -0.917 36.3-179.0 -96.1 108.3 -38.7 2.9 -8.3 53 54 A H E + 0 0 32 9,-0.8 2,-0.4 -2,-0.8 98,-0.3 0.618 63.9 35.0 -91.7 -12.4 -38.5 -0.8 -8.9 54 55 A R E +E 62 0A 102 8,-1.2 8,-3.1 96,-0.1 2,-0.4 -0.980 58.6 175.8-145.3 126.5 -34.8 -1.3 -8.7 55 56 A I E -E 61 0A 0 94,-2.0 91,-1.2 -2,-0.4 94,-0.2 -0.975 5.1-174.7-132.6 118.2 -32.2 0.6 -6.5 56 57 A I E >> -E 60 0A 44 4,-2.6 3,-1.9 -2,-0.4 4,-1.5 -0.926 26.1-128.1-116.4 110.1 -28.6 -0.5 -6.6 57 58 A P T 34 S+ 0 0 62 0, 0.0 59,-0.0 0, 0.0 86,-0.0 -0.239 94.9 21.3 -58.8 135.7 -26.3 1.3 -4.0 58 59 A G T 34 S+ 0 0 43 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.469 130.7 46.2 87.3 3.0 -23.3 2.9 -5.6 59 60 A F T <4 S- 0 0 44 -3,-1.9 56,-2.1 1,-0.2 57,-0.6 0.475 103.5 -47.0-138.2 -75.0 -24.9 2.9 -9.0 60 61 A M E < -EF 56 114A 5 -4,-1.5 -4,-2.6 54,-0.3 2,-0.4 -0.988 25.9-118.4-163.0 168.5 -28.5 4.1 -9.5 61 62 A C E -EF 55 113A 0 52,-2.0 52,-2.7 -2,-0.3 2,-0.5 -0.992 36.8-154.5-115.3 128.8 -32.2 4.4 -8.7 62 63 A Q E +EF 54 112A 13 -8,-3.1 -8,-1.2 -2,-0.4 -9,-0.8 -0.909 27.3 139.7-113.0 129.7 -34.4 3.1 -11.6 63 64 A G E +EF 52 111A 0 48,-1.9 48,-1.9 -2,-0.5 -11,-0.2 -0.753 21.8 98.1-143.2-169.4 -37.9 4.2 -12.3 64 65 A G + 0 0 0 -13,-0.6 2,-1.6 46,-0.2 11,-0.3 0.360 44.0 125.0 105.7 -4.3 -40.3 5.0 -15.1 65 66 A D > + 0 0 2 -14,-0.4 4,-0.8 1,-0.2 -14,-0.4 -0.636 23.0 159.1 -88.6 85.9 -42.2 1.9 -15.7 66 67 A F T 4 + 0 0 26 -2,-1.6 -1,-0.2 1,-0.2 -20,-0.1 0.425 67.4 51.8 -89.7 4.0 -45.7 3.3 -15.3 67 68 A T T 4 S+ 0 0 60 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.791 129.5 7.5-107.2 -37.5 -47.5 0.5 -17.2 68 69 A R T 4 S- 0 0 169 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.467 82.8-142.9-126.1 -13.0 -46.2 -2.7 -15.5 69 70 A H S < S+ 0 0 88 -4,-0.8 -3,-0.1 1,-0.1 -4,-0.0 0.664 81.0 78.6 63.4 23.3 -44.3 -1.3 -12.6 70 71 A N S S- 0 0 87 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.325 111.6 -89.9-143.7 3.0 -41.5 -4.0 -12.7 71 72 A G S S+ 0 0 24 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.396 107.9 91.2 101.1 -4.2 -39.2 -2.9 -15.5 72 73 A T S S+ 0 0 103 -7,-0.1 2,-0.1 -4,-0.0 -7,-0.0 0.459 86.8 48.0 -96.3 -1.8 -40.9 -4.8 -18.4 73 74 A G + 0 0 18 2,-0.0 36,-0.3 36,-0.0 37,-0.2 -0.090 52.2 115.4-118.8-149.3 -43.1 -1.9 -19.3 74 75 A G - 0 0 22 34,-0.1 2,-0.3 35,-0.1 -9,-0.1 0.042 34.8-151.4 93.9 151.5 -43.0 1.9 -20.0 75 76 A K - 0 0 102 -11,-0.3 33,-0.1 33,-0.1 2,-0.1 -0.978 11.0-125.2-154.8 151.1 -43.7 3.8 -23.1 76 77 A S > - 0 0 4 -2,-0.3 3,-0.9 31,-0.2 33,-0.1 -0.377 29.1-111.9 -86.6 172.7 -42.6 7.0 -24.7 77 78 A I T 3 S+ 0 0 34 1,-0.2 -1,-0.1 31,-0.2 32,-0.0 0.528 111.1 72.0 -78.2 -4.4 -44.8 9.9 -25.9 78 79 A Y T 3 S- 0 0 73 2,-0.3 -1,-0.2 30,-0.1 3,-0.1 0.406 107.8-118.5 -97.6 1.4 -43.8 9.0 -29.4 79 80 A G S < S+ 0 0 77 -3,-0.9 2,-0.3 1,-0.1 -2,-0.1 0.561 88.4 51.2 79.2 10.0 -45.8 5.8 -29.6 80 81 A E S S- 0 0 136 27,-0.1 -2,-0.3 28,-0.1 -1,-0.1 -0.950 101.4 -80.7-165.9 150.6 -42.7 3.6 -30.1 81 82 A K - 0 0 131 -2,-0.3 2,-0.3 -3,-0.1 27,-0.2 -0.323 59.7-142.0 -50.6 145.3 -39.4 3.1 -28.5 82 83 A F B -I 107 0B 3 25,-2.5 25,-1.9 1,-0.1 3,-0.1 -0.781 10.5 -90.7-123.6 164.9 -37.2 5.9 -29.9 83 84 A E - 0 0 82 -2,-0.3 2,-0.6 23,-0.2 -1,-0.1 -0.193 43.9 -94.3 -71.4 156.7 -33.7 6.3 -31.0 84 85 A D - 0 0 26 1,-0.2 -1,-0.1 -53,-0.0 3,-0.1 -0.621 37.4-157.1 -66.2 116.0 -30.6 7.4 -29.1 85 86 A E - 0 0 52 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.937 55.4 -48.7 -71.9 -50.0 -30.6 11.1 -29.7 86 87 A N - 0 0 38 -3,-0.1 -1,-0.3 41,-0.1 41,-0.1 -0.957 32.7-129.0-168.3 172.8 -27.0 11.7 -29.0 87 88 A F + 0 0 66 -2,-0.3 36,-0.1 39,-0.1 -59,-0.0 -0.204 61.3 127.0-120.7 39.2 -24.1 11.0 -26.5 88 89 A I + 0 0 101 -61,-0.1 2,-0.3 39,-0.1 -1,-0.1 0.934 65.0 58.5 -61.6 -45.7 -22.9 14.6 -26.1 89 90 A L S S- 0 0 36 38,-0.3 38,-0.5 -3,-0.1 2,-0.2 -0.625 76.0-149.1 -93.0 145.4 -23.2 14.6 -22.3 90 91 A K - 0 0 96 -2,-0.3 2,-1.4 32,-0.1 3,-0.1 -0.597 28.6 -99.2-110.6 170.2 -21.4 12.1 -20.1 91 92 A H + 0 0 2 -2,-0.2 31,-0.1 1,-0.2 30,-0.1 -0.696 53.5 161.8 -90.0 88.0 -22.0 10.4 -16.8 92 93 A T - 0 0 99 -2,-1.4 25,-0.2 1,-0.2 -1,-0.2 0.518 51.7 -43.6 -96.0 -6.9 -19.9 12.7 -14.7 93 94 A G S > S- 0 0 10 23,-0.3 3,-1.2 -3,-0.1 23,-0.3 -0.982 82.6 -27.6 166.4-177.2 -21.2 12.1 -11.2 94 95 A P T 3 S+ 0 0 87 0, 0.0 21,-0.2 0, 0.0 3,-0.1 -0.303 112.9 36.9 -60.6 142.1 -24.1 11.7 -8.8 95 96 A G T 3 S+ 0 0 4 19,-3.3 36,-2.4 1,-0.3 2,-0.1 0.276 77.5 140.4 98.5 -8.3 -27.4 13.2 -9.7 96 97 A I E < -G 130 0A 14 -3,-1.2 18,-2.9 34,-0.2 2,-0.5 -0.434 43.1-146.5 -68.2 134.3 -27.1 12.6 -13.5 97 98 A L E +GH 129 113A 0 32,-2.6 31,-2.3 16,-0.2 32,-1.4 -0.934 28.3 166.9-101.6 124.3 -30.4 11.6 -15.1 98 99 A T E -GH 127 112A 0 14,-2.2 14,-3.0 -2,-0.5 29,-0.2 -0.959 36.7 -98.9-139.5 153.6 -29.9 9.1 -18.0 99 100 A M E - 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