==== 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 3K0Q . 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) . 7555.0 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 . 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 . 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 0 190 0, 0.0 23,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.6 -20.5 -1.0 -17.2 2 3 A N - 0 0 25 1,-0.1 22,-0.1 20,-0.0 2,-0.0 -0.070 360.0-124.4 -62.5 133.9 -17.1 0.3 -16.4 3 4 A P - 0 0 16 0, 0.0 20,-2.9 0, 0.0 2,-0.4 -0.296 14.7-151.2 -71.8 153.4 -15.5 2.5 -19.0 4 5 A T E +A 22 0A 8 18,-0.2 159,-1.6 -2,-0.0 160,-1.5 -0.990 17.6 174.9-119.4 130.2 -12.1 1.9 -20.5 5 6 A V E -AB 21 162A 0 16,-1.5 16,-2.4 -2,-0.4 2,-0.3 -0.866 12.9-150.8-125.2 167.6 -10.0 4.8 -21.7 6 7 A F E -AB 20 161A 19 155,-2.6 155,-1.4 -2,-0.3 2,-0.4 -0.930 8.0-156.3-130.8 158.4 -6.3 4.8 -23.1 7 8 A F E -AB 19 160A 1 12,-2.5 12,-2.7 -2,-0.3 2,-0.7 -0.996 11.3-149.5-125.3 137.5 -3.3 7.0 -23.2 8 9 A D E -AB 18 159A 40 151,-2.8 150,-1.4 -2,-0.4 151,-1.1 -0.900 25.5-146.8 -98.5 121.7 -0.7 6.6 -25.9 9 10 A I E -AB 17 157A 4 8,-2.9 7,-3.2 -2,-0.7 8,-1.0 -0.579 14.7-166.7 -93.0 144.2 2.6 7.8 -24.3 10 11 A A E -AB 15 156A 5 146,-2.2 146,-2.3 -2,-0.3 2,-0.5 -0.964 11.1-152.5-127.4 150.2 5.6 9.5 -25.9 11 12 A V E > S-AB 14 155A 15 3,-2.3 3,-2.0 -2,-0.4 144,-0.2 -0.976 87.1 -20.0-119.0 115.2 9.1 10.2 -24.7 12 13 A D T 3 S- 0 0 96 142,-2.6 -1,-0.1 -2,-0.5 143,-0.1 0.881 131.0 -51.2 46.6 39.2 10.7 13.3 -26.2 13 14 A G T 3 S+ 0 0 57 141,-0.5 -1,-0.3 1,-0.2 142,-0.1 0.460 114.0 121.0 86.4 -1.2 8.1 13.0 -29.0 14 15 A E E < S-A 11 0A 131 -3,-2.0 -3,-2.3 1,-0.0 -1,-0.2 -0.877 70.9-110.7-100.2 124.4 8.9 9.3 -29.7 15 16 A P E +A 10 0A 109 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.239 37.2 174.6 -53.7 138.2 6.0 6.8 -29.3 16 17 A L E - 0 0 61 -7,-3.2 2,-0.3 1,-0.3 -6,-0.2 0.720 47.3 -83.3-105.8 -55.1 6.5 4.5 -26.2 17 18 A G E -A 9 0A 25 -8,-1.0 -8,-2.9 2,-0.0 2,-0.4 -0.954 44.0 -69.6 162.3-179.9 3.3 2.5 -26.0 18 19 A R E -A 8 0A 112 -2,-0.3 2,-0.4 -10,-0.2 119,-0.2 -0.836 27.7-167.6-110.2 135.1 -0.3 2.5 -24.8 19 20 A V E -A 7 0A 1 -12,-2.7 -12,-2.5 -2,-0.4 2,-0.3 -0.950 12.1-166.6-110.3 136.7 -1.6 2.3 -21.3 20 21 A S E -AC 6 133A 2 113,-2.8 112,-3.2 -2,-0.4 113,-1.3 -0.933 2.1-159.1-128.6 157.9 -5.3 1.6 -20.8 21 22 A F E -AC 5 131A 0 -16,-2.4 -16,-1.5 -2,-0.3 2,-0.5 -0.970 18.3-135.9-135.6 144.0 -7.4 2.0 -17.6 22 23 A E E -AC 4 130A 44 108,-2.4 108,-1.8 -2,-0.3 2,-0.5 -0.893 23.8-150.1 -94.6 128.9 -10.6 0.7 -16.2 23 24 A L E - C 0 129A 0 -20,-2.9 2,-2.3 -2,-0.5 106,-0.3 -0.886 13.2-133.9 -99.0 126.5 -12.6 3.6 -14.6 24 25 A F >> + 0 0 30 104,-2.0 4,-3.3 -2,-0.5 3,-1.5 -0.428 44.0 154.2 -86.2 69.4 -14.7 2.4 -11.6 25 26 A A T 34 + 0 0 34 -2,-2.3 -1,-0.2 1,-0.3 5,-0.1 0.741 66.6 70.9 -65.6 -20.3 -17.9 4.2 -12.5 26 27 A D T 34 S+ 0 0 95 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.731 118.2 16.8 -72.4 -18.2 -19.7 1.5 -10.6 27 28 A K T <4 S+ 0 0 94 -3,-1.5 -2,-0.2 101,-0.1 -1,-0.2 0.698 138.4 30.8-125.4 -30.9 -18.3 2.9 -7.4 28 29 A V X + 0 0 0 -4,-3.3 4,-3.0 1,-0.2 5,-0.3 -0.549 65.1 163.6-123.8 69.2 -17.1 6.5 -8.2 29 30 A P H > S+ 0 0 73 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.930 76.2 44.8 -49.3 -57.3 -19.5 7.7 -11.0 30 31 A K H > S+ 0 0 66 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.849 117.9 42.3 -60.8 -40.1 -18.7 11.4 -10.7 31 32 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 115.5 50.5 -76.3 -42.2 -14.9 11.0 -10.4 32 33 A A H X S+ 0 0 1 -4,-3.0 4,-2.7 -8,-0.2 -2,-0.2 0.943 108.7 51.6 -51.8 -54.2 -14.8 8.3 -13.2 33 34 A E H X S+ 0 0 66 -4,-3.1 4,-2.8 -5,-0.3 5,-0.2 0.846 105.9 56.2 -58.5 -35.9 -16.9 10.5 -15.6 34 35 A N H X S+ 0 0 0 -4,-1.2 4,-2.2 -5,-0.2 -1,-0.2 0.957 111.3 41.6 -62.3 -50.9 -14.4 13.4 -15.0 35 36 A F H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.930 114.5 52.1 -63.0 -46.5 -11.5 11.4 -16.1 36 37 A R H X S+ 0 0 28 -4,-2.7 4,-1.8 1,-0.2 5,-0.3 0.959 112.0 45.4 -52.8 -55.4 -13.4 9.8 -19.0 37 38 A A H X>S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 5,-0.5 0.889 112.6 51.1 -59.7 -36.0 -14.5 13.1 -20.4 38 39 A L H <5S+ 0 0 1 -4,-2.2 9,-2.0 1,-0.2 10,-0.5 0.898 110.0 51.1 -71.8 -31.9 -11.0 14.6 -20.0 39 40 A S H <5S+ 0 0 1 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.805 115.0 39.7 -73.2 -34.1 -9.5 11.7 -21.8 40 41 A T H <5S- 0 0 46 -4,-1.8 -1,-0.2 121,-0.2 -2,-0.2 0.677 98.2-138.2 -88.4 -21.8 -11.9 11.9 -24.8 41 42 A G T ><5 + 0 0 30 -4,-1.9 3,-2.8 -5,-0.3 -3,-0.2 0.516 53.3 145.0 80.3 7.3 -11.7 15.8 -24.8 42 43 A E T 3 < + 0 0 105 -5,-0.5 -4,-0.1 1,-0.3 4,-0.1 0.656 64.3 58.2 -60.7 -16.2 -15.4 16.0 -25.5 43 44 A K T 3 S- 0 0 114 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.491 122.1 -98.9 -89.9 -7.4 -15.8 19.1 -23.3 44 45 A G S < S+ 0 0 74 -3,-2.8 2,-0.3 1,-0.2 -2,-0.1 0.311 102.9 57.7 103.9 -4.8 -13.3 21.2 -25.4 45 46 A F + 0 0 59 -8,-0.1 -2,-0.5 -4,-0.1 2,-0.3 -0.971 62.9 118.5-149.2 157.5 -10.4 20.6 -23.0 46 47 A G - 0 0 15 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.979 66.1 -49.4 170.6-162.3 -8.6 17.5 -21.7 47 48 A Y S > S+ 0 0 0 -9,-2.0 3,-2.4 -2,-0.3 2,-0.3 0.641 81.0 116.3 -78.8 -17.8 -5.5 15.3 -21.3 48 49 A K T 3 S+ 0 0 128 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.366 88.3 8.5 -71.0 116.9 -4.4 15.2 -24.9 49 50 A G T 3 S+ 0 0 55 108,-2.7 -1,-0.3 1,-0.4 109,-0.1 0.130 99.3 126.6 102.9 -16.5 -1.1 16.8 -25.3 50 51 A S < - 0 0 6 -3,-2.4 107,-2.7 107,-0.2 -1,-0.4 -0.173 50.7-131.5 -71.1 168.1 -0.5 17.2 -21.5 51 52 A C B -D 156 0A 5 14,-0.4 2,-0.8 105,-0.2 13,-0.4 -0.751 15.0-116.2-117.4 164.0 2.7 15.9 -19.8 52 53 A F + 0 0 2 103,-2.9 103,-0.5 -2,-0.3 11,-0.2 -0.904 37.4 178.9 -94.6 106.2 3.6 13.8 -16.8 53 54 A H + 0 0 33 -2,-0.8 2,-0.3 9,-0.4 98,-0.3 0.476 61.0 42.5 -93.9 -3.4 5.4 16.5 -14.9 54 55 A R E +E 62 0A 95 8,-1.2 8,-2.9 96,-0.1 2,-0.4 -0.908 58.6 165.7-151.8 115.6 6.3 14.5 -11.9 55 56 A I E -E 61 0A 0 94,-2.7 91,-2.4 -2,-0.3 94,-0.3 -0.984 8.7-177.3-140.0 123.8 7.6 10.9 -11.6 56 57 A I E >> -E 60 0A 25 4,-2.3 3,-2.1 -2,-0.4 4,-1.5 -0.931 28.4-129.1-126.6 103.3 9.1 9.3 -8.6 57 58 A P T 34 S+ 0 0 63 0, 0.0 82,-0.0 0, 0.0 86,-0.0 -0.263 95.6 24.6 -52.2 132.6 10.3 5.7 -9.1 58 59 A G T 34 S+ 0 0 54 1,-0.1 56,-0.0 57,-0.1 84,-0.0 0.311 128.4 50.5 92.8 -7.5 9.0 3.3 -6.5 59 60 A F T <4 S- 0 0 49 -3,-2.1 56,-2.6 1,-0.2 57,-0.8 0.628 104.2 -59.9-126.1 -72.7 6.1 5.6 -5.8 60 61 A M E < -EF 56 114A 4 -4,-1.5 -4,-2.3 54,-0.3 2,-0.4 -0.980 28.7-112.7-170.5 167.2 4.0 7.0 -8.7 61 62 A C E -EF 55 113A 0 52,-2.3 52,-2.6 -2,-0.3 2,-0.4 -0.992 32.1-157.7-113.7 131.1 3.6 8.9 -12.0 62 63 A Q E +EF 54 112A 20 -8,-2.9 -8,-1.2 -2,-0.4 -9,-0.4 -0.910 26.8 138.2-115.1 132.4 1.6 12.2 -11.9 63 64 A G E + F 0 111A 0 48,-1.7 48,-1.9 -2,-0.4 -11,-0.2 -0.705 24.3 102.7-142.6-159.7 -0.0 13.9 -14.8 64 65 A G + 0 0 0 -13,-0.4 2,-2.2 46,-0.3 11,-0.3 0.134 47.7 118.9 102.9 -19.5 -3.4 15.7 -15.4 65 66 A D > + 0 0 1 -14,-0.3 4,-1.3 1,-0.2 -14,-0.4 -0.525 28.1 158.8 -84.4 82.7 -2.2 19.3 -15.3 66 67 A F T 4 + 0 0 27 -2,-2.2 -1,-0.2 1,-0.2 -20,-0.1 0.473 67.0 48.4 -88.2 -2.9 -3.2 20.1 -18.8 67 68 A T T 4 S+ 0 0 66 -3,-0.2 -1,-0.2 -17,-0.0 -2,-0.1 0.764 128.0 14.7-105.0 -32.2 -3.3 23.9 -18.2 68 69 A R T 4 S- 0 0 149 0, 0.0 -2,-0.2 0, 0.0 4,-0.1 0.556 82.7-145.0-122.4 -3.3 0.0 24.7 -16.4 69 70 A H S < S+ 0 0 100 -4,-1.3 -3,-0.1 1,-0.1 -4,-0.0 0.653 81.2 74.0 62.5 19.8 2.0 21.5 -17.1 70 71 A N S S- 0 0 87 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.353 114.1 -85.7-149.2 6.7 3.7 21.7 -13.7 71 72 A G S S+ 0 0 28 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.1 0.151 109.2 89.3 103.0 -17.2 1.4 20.8 -10.9 72 73 A T S S+ 0 0 91 -7,-0.1 2,-0.1 -4,-0.1 -7,-0.0 0.385 87.6 38.8 -94.0 4.0 -0.1 24.2 -10.4 73 74 A G + 0 0 16 2,-0.0 36,-0.3 -8,-0.0 37,-0.2 -0.385 53.5 106.3-132.2-154.9 -3.0 23.9 -12.8 74 75 A G - 0 0 9 -9,-0.2 2,-0.3 -2,-0.1 -9,-0.1 -0.143 38.8-144.3 96.7 162.6 -5.7 21.7 -14.3 75 76 A K - 0 0 79 -11,-0.3 5,-0.2 33,-0.1 33,-0.1 -0.975 10.9-118.5-161.6 157.6 -9.5 21.7 -13.8 76 77 A S B > -I 79 0B 2 3,-1.4 3,-0.6 4,-0.5 33,-0.1 -0.406 33.2-108.9 -93.1 176.3 -12.4 19.2 -13.7 77 78 A I T 3 S+ 0 0 30 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.423 117.1 55.4 -82.7 3.1 -15.4 19.1 -16.0 78 79 A Y T 3 S- 0 0 94 1,-0.6 2,-0.3 30,-0.1 -1,-0.2 0.535 124.8 -64.6-106.5 -13.6 -17.5 20.5 -13.1 79 80 A G B < S-I 76 0B 38 -3,-0.6 -3,-1.4 1,-0.1 -1,-0.6 -0.881 79.7 -46.3 143.2 176.3 -15.6 23.6 -12.2 80 81 A E S S+ 0 0 142 -2,-0.3 -4,-0.5 -5,-0.2 2,-0.3 0.914 123.8 1.3 -45.4 -46.8 -12.2 24.4 -10.8 81 82 A K - 0 0 138 -6,-0.1 2,-0.3 -3,-0.1 27,-0.2 -0.997 62.1-158.5-149.2 145.2 -12.7 21.6 -8.2 82 83 A F B -J 107 0C 7 25,-2.5 25,-1.9 -2,-0.3 3,-0.1 -0.861 32.5 -88.5-124.6 163.8 -15.1 19.0 -7.0 83 84 A E - 0 0 80 -2,-0.3 2,-0.8 23,-0.2 -1,-0.1 0.000 45.9 -93.9 -61.2 162.9 -15.7 17.1 -3.7 84 85 A D - 0 0 26 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.760 37.2-154.9 -74.7 112.8 -14.1 13.8 -2.7 85 86 A E - 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