==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 27-FEB-96 3CYH . 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) . 7252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 65.1 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 . 13 7.8 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 . 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 0 171 0, 0.0 3,-0.1 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 -77.3 0.3 27.7 20.2 2 3 A N - 0 0 22 1,-0.1 22,-0.1 23,-0.0 0, 0.0 -0.674 360.0-107.9 -71.8 135.4 2.7 25.7 18.0 3 4 A P - 0 0 19 0, 0.0 20,-2.1 0, 0.0 2,-0.4 -0.244 26.3-147.6 -66.6 155.5 4.5 23.5 20.6 4 5 A T E -A 22 0A 5 18,-0.2 159,-2.8 -3,-0.1 160,-1.6 -0.994 15.8-176.8-119.0 132.8 8.1 24.1 21.6 5 6 A V E -AB 21 162A 0 16,-1.7 16,-2.7 -2,-0.4 2,-0.3 -0.855 9.6-150.6-122.4 160.2 10.3 21.1 22.6 6 7 A F E -AB 20 161A 21 155,-2.5 155,-1.5 -2,-0.3 2,-0.4 -0.942 6.6-157.3-125.8 160.3 13.9 21.2 23.9 7 8 A F E -AB 19 160A 1 12,-2.5 12,-2.4 -2,-0.3 2,-0.6 -0.998 10.2-149.8-129.6 131.1 16.9 18.9 23.8 8 9 A D E -AB 18 159A 38 151,-3.0 150,-1.8 -2,-0.4 151,-1.2 -0.928 23.1-149.6 -96.8 125.9 19.7 19.2 26.3 9 10 A I E -AB 17 157A 5 8,-3.0 7,-2.9 -2,-0.6 8,-1.2 -0.757 15.3-172.9 -99.7 140.9 22.9 18.1 24.5 10 11 A A E -AB 15 156A 6 146,-2.0 146,-2.2 -2,-0.3 2,-0.5 -0.937 13.6-151.1-126.9 146.0 25.9 16.4 26.1 11 12 A V E > S-AB 14 155A 13 3,-2.7 3,-1.7 -2,-0.3 144,-0.2 -0.996 85.8 -20.1-120.1 117.2 29.2 15.6 24.4 12 13 A D T 3 S- 0 0 83 142,-2.8 2,-0.3 -2,-0.5 -1,-0.1 0.897 129.3 -51.0 45.8 48.0 30.8 12.5 26.0 13 14 A G T 3 S+ 0 0 61 141,-0.4 -1,-0.3 1,-0.2 142,-0.0 -0.010 115.9 116.2 82.9 -33.6 28.7 13.0 29.1 14 15 A E E < S-A 11 0A 141 -3,-1.7 -3,-2.7 -2,-0.3 -1,-0.2 -0.467 73.2-108.2 -68.1 131.6 29.7 16.7 29.5 15 16 A P E +A 10 0A 118 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.339 37.6 173.0 -57.0 131.9 26.9 19.3 29.2 16 17 A L E - 0 0 54 -7,-2.9 2,-0.3 1,-0.3 -6,-0.2 0.745 46.7 -89.2-104.2 -58.6 26.9 21.4 26.1 17 18 A G E -A 9 0A 24 -8,-1.2 -8,-3.0 120,-0.0 2,-0.4 -0.978 39.4 -70.7 165.3-176.6 23.7 23.3 26.2 18 19 A R E -A 8 0A 112 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.864 27.0-164.3-112.2 140.8 20.0 23.4 25.2 19 20 A V E -A 7 0A 2 -12,-2.4 -12,-2.5 -2,-0.4 2,-0.4 -0.975 10.5-158.8-123.0 135.4 18.3 23.7 21.8 20 21 A S E -AC 6 133A 1 113,-2.5 112,-2.7 -2,-0.4 113,-0.6 -0.909 6.9-160.2-112.5 146.0 14.7 24.6 21.6 21 22 A F E -AC 5 131A 0 -16,-2.7 -16,-1.7 -2,-0.4 2,-0.5 -0.974 13.5-144.6-130.9 137.3 12.5 23.9 18.5 22 23 A E E -AC 4 130A 42 108,-3.0 108,-1.9 -2,-0.4 2,-0.5 -0.879 21.5-150.2 -93.9 133.8 9.2 25.3 17.2 23 24 A L E - C 0 129A 0 -20,-2.1 2,-2.2 -2,-0.5 106,-0.3 -0.923 11.0-134.8-108.7 130.6 7.2 22.6 15.6 24 25 A F >> + 0 0 24 104,-2.5 4,-3.2 -2,-0.5 3,-1.3 -0.338 42.5 154.6 -83.9 63.3 4.8 23.6 12.8 25 26 A A T 34 S+ 0 0 32 -2,-2.2 -1,-0.2 1,-0.3 8,-0.1 0.746 70.4 64.3 -65.8 -21.9 1.8 21.6 13.9 26 27 A D T 34 S+ 0 0 98 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.839 117.0 25.9 -66.9 -33.6 -0.4 24.2 12.1 27 28 A K T <4 S+ 0 0 80 -3,-1.3 -2,-0.2 1,-0.2 61,-0.1 0.797 139.1 20.9-100.4 -35.1 1.2 23.1 8.7 28 29 A V X + 0 0 0 -4,-3.2 4,-2.7 100,-0.2 5,-0.3 -0.564 70.0 165.8-131.3 68.7 2.4 19.5 9.2 29 30 A P H > S+ 0 0 70 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.876 74.0 47.3 -54.3 -41.3 0.3 18.2 12.2 30 31 A K H > S+ 0 0 59 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.919 116.2 43.0 -72.4 -40.6 1.0 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 0.916 115.6 49.5 -70.6 -44.5 4.8 14.8 11.4 32 33 A A H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.934 108.8 51.8 -64.8 -40.7 5.0 17.4 14.2 33 34 A E H X S+ 0 0 67 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.882 106.6 55.0 -65.7 -33.7 3.0 15.3 16.7 34 35 A N H X S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.962 112.7 41.5 -61.1 -48.8 5.3 12.4 16.0 35 36 A F H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.926 114.6 52.7 -64.8 -45.2 8.4 14.5 16.9 36 37 A R H X S+ 0 0 30 -4,-3.0 4,-2.0 1,-0.2 3,-0.4 0.956 112.1 45.0 -51.7 -56.2 6.5 16.1 20.0 37 38 A A H X>S+ 0 0 1 -4,-2.7 4,-1.6 1,-0.2 6,-0.5 0.790 111.5 51.4 -61.5 -34.0 5.6 12.7 21.4 38 39 A L H <5S+ 0 0 1 -4,-1.8 9,-2.1 -5,-0.2 10,-0.4 0.826 109.5 52.1 -75.1 -29.1 9.0 11.2 20.9 39 40 A S H <5S+ 0 0 2 -4,-2.0 -2,-0.2 -3,-0.4 -1,-0.2 0.831 115.4 39.1 -71.7 -37.5 10.5 14.2 22.7 40 41 A T H <5S- 0 0 50 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.779 99.7-139.2 -81.2 -23.9 8.2 13.8 25.8 41 42 A G T ><5 + 0 0 27 -4,-1.6 3,-2.4 -5,-0.3 -3,-0.2 0.584 52.2 146.1 81.6 11.1 8.6 10.0 25.6 42 43 A E T 3 < + 0 0 96 -5,-0.5 -4,-0.1 1,-0.3 4,-0.1 0.661 60.9 55.9 -63.4 -18.1 4.9 9.8 26.4 43 44 A K T 3 S- 0 0 97 -6,-0.5 -1,-0.3 2,-0.5 3,-0.1 0.340 127.6 -92.5 -93.2 11.7 4.1 6.7 24.3 44 45 A G S < S+ 0 0 71 -3,-2.4 2,-0.3 1,-0.2 -2,-0.2 0.339 102.4 53.7 101.8 -7.8 6.8 4.7 26.2 45 46 A F + 0 0 64 -8,-0.2 -2,-0.5 -4,-0.1 2,-0.3 -0.938 59.6 114.9-150.4 169.7 9.8 5.3 23.8 46 47 A G - 0 0 13 -2,-0.3 -7,-0.2 2,-0.1 -8,-0.1 -0.996 66.5 -40.3 158.1-163.9 11.5 8.3 22.3 47 48 A Y S > S+ 0 0 0 -9,-2.1 3,-2.4 -2,-0.3 110,-0.3 0.614 76.8 118.0 -80.0 -18.8 14.6 10.4 22.0 48 49 A K T 3 S+ 0 0 122 -10,-0.4 110,-0.2 1,-0.3 -2,-0.1 -0.311 89.2 9.8 -61.3 126.0 16.0 10.7 25.6 49 50 A G T 3 S+ 0 0 55 108,-3.3 -1,-0.3 1,-0.3 109,-0.1 0.333 100.4 125.8 89.6 -4.2 19.4 9.2 25.8 50 51 A S < - 0 0 6 -3,-2.4 107,-2.9 107,-0.3 -1,-0.3 -0.347 50.7-128.0 -82.3 167.9 19.8 8.7 22.0 51 52 A C B -D 156 0A 6 14,-0.4 2,-0.8 105,-0.3 13,-0.6 -0.724 13.3-113.6-119.4 164.6 22.7 10.1 20.0 52 53 A F E -E 63 0A 1 103,-2.3 103,-0.5 -2,-0.2 11,-0.3 -0.857 35.0-178.4 -88.6 112.7 23.4 12.2 16.9 53 54 A H E + 0 0 28 -2,-0.8 2,-0.4 9,-0.7 98,-0.3 0.700 61.2 35.2 -93.6 -15.2 25.0 9.6 14.6 54 55 A R E +E 62 0A 64 8,-1.6 8,-2.9 96,-0.1 2,-0.5 -0.954 57.8 168.7-144.2 112.9 25.8 11.7 11.4 55 56 A I E -E 61 0A 0 94,-2.5 91,-2.0 -2,-0.4 94,-0.3 -0.988 9.1-173.3-130.7 123.0 27.0 15.3 11.4 56 57 A I E >> -E 60 0A 9 4,-2.6 3,-2.1 -2,-0.5 4,-1.5 -0.962 29.5-124.2-117.5 110.6 28.4 16.8 8.3 57 58 A P T 34 S+ 0 0 63 0, 0.0 86,-0.0 0, 0.0 82,-0.0 -0.297 94.4 18.4 -56.4 135.1 29.8 20.3 8.9 58 59 A G T 34 S+ 0 0 50 1,-0.1 56,-0.0 57,-0.0 84,-0.0 0.321 128.5 51.9 85.1 -8.1 28.3 23.0 6.7 59 60 A F T <4 S- 0 0 36 -3,-2.1 56,-2.2 1,-0.3 57,-0.5 0.692 106.6 -46.3-124.4 -67.8 25.3 20.8 5.9 60 61 A M E < -EF 56 114A 0 -4,-1.5 -4,-2.6 54,-0.3 2,-0.4 -0.993 30.5-123.5-167.6 164.2 23.3 19.2 8.8 61 62 A C E -EF 55 113A 0 52,-1.8 52,-2.2 -2,-0.3 2,-0.4 -0.983 34.3-162.8-114.0 128.3 23.3 17.3 12.1 62 63 A Q E +EF 54 112A 6 -8,-2.9 -8,-1.6 -2,-0.4 -9,-0.7 -0.937 23.8 131.5-120.6 140.6 21.3 14.1 12.0 63 64 A G E +EF 52 111A 0 48,-2.0 48,-1.9 -2,-0.4 -11,-0.2 -0.678 17.9 113.1-154.5-156.3 19.9 11.9 14.8 64 65 A G + 0 0 1 -13,-0.6 2,-1.5 46,-0.3 11,-0.3 0.360 43.9 124.2 99.7 -5.3 16.7 10.2 16.0 65 66 A D > + 0 0 1 -14,-0.4 4,-0.8 1,-0.2 -14,-0.4 -0.620 24.7 163.0 -89.7 89.1 17.7 6.5 15.6 66 67 A F T 4 + 0 0 31 -2,-1.5 -1,-0.2 1,-0.2 -20,-0.1 0.501 68.3 51.8 -87.6 3.6 17.0 5.4 19.2 67 68 A T T 4 S+ 0 0 55 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.828 126.7 11.8-107.4 -31.7 17.0 1.7 18.4 68 69 A R T 4 S- 0 0 164 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.518 84.4-142.4-120.9 -11.7 20.2 1.0 16.5 69 70 A H S < S+ 0 0 99 -4,-0.8 -3,-0.1 1,-0.1 -4,-0.0 0.679 81.5 75.7 61.2 27.4 22.0 4.3 17.2 70 71 A N S S- 0 0 90 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.360 113.8 -81.5-150.9 6.6 23.5 4.4 13.7 71 72 A G S S+ 0 0 27 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.284 108.0 89.5 107.0 -13.2 21.1 5.3 11.0 72 73 A T S S+ 0 0 94 -7,-0.1 2,-0.1 0, 0.0 -7,-0.0 0.454 86.6 30.6-101.2 2.4 19.4 2.0 10.5 73 74 A G + 0 0 19 2,-0.0 36,-0.3 36,-0.0 37,-0.2 -0.411 51.4 118.0-131.9-150.2 16.6 2.1 13.0 74 75 A G - 0 0 13 -9,-0.2 2,-0.3 -2,-0.1 -9,-0.1 -0.253 38.8-140.8 104.4 165.4 14.1 4.2 14.8 75 76 A K - 0 0 72 -11,-0.3 5,-0.2 -2,-0.1 2,-0.2 -0.972 8.7-121.9-156.7 156.5 10.3 4.1 14.7 76 77 A S B > -I 79 0B 2 3,-2.0 3,-0.8 -2,-0.3 33,-0.1 -0.474 30.5-111.5 -93.5 170.5 7.4 6.5 14.6 77 78 A I T 3 S+ 0 0 36 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.509 119.8 54.7 -74.6 -5.2 4.5 6.7 17.0 78 79 A Y T 3 S- 0 0 91 1,-0.5 2,-0.3 30,-0.1 -1,-0.2 0.487 125.3 -77.6-104.6 -8.0 2.3 5.5 14.1 79 80 A G B < S-I 76 0B 34 -3,-0.8 -3,-2.0 1,-0.1 -1,-0.5 -0.875 73.1 -39.7 140.8-173.2 4.4 2.4 13.2 80 81 A E S S+ 0 0 150 -2,-0.3 2,-0.3 -5,-0.2 -1,-0.1 0.853 123.3 0.3 -48.7 -40.7 7.6 1.6 11.4 81 82 A K - 0 0 144 -3,-0.1 2,-0.3 -6,-0.1 27,-0.2 -0.935 61.8-167.5-147.4 156.2 7.1 4.2 8.7 82 83 A F B -J 107 0C 4 25,-1.1 25,-2.3 -2,-0.3 3,-0.1 -0.946 33.4 -88.5-145.3 166.0 4.4 6.7 7.8 83 84 A E - 0 0 79 -2,-0.3 2,-0.6 23,-0.2 3,-0.1 -0.146 42.6 -90.5 -73.7 165.2 3.9 8.8 4.6 84 85 A D - 0 0 23 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.689 39.3-158.3 -76.7 118.1 5.2 12.1 3.5 85 86 A E - 0 0 51 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.928 55.7 -47.3 -74.0 -47.3 2.6 14.4 4.8 86 87 A N - 0 0 39 -3,-0.1 -1,-0.3 41,-0.1 41,-0.1 -0.950 36.0-130.5-170.2 177.5 3.2 17.3 2.5 87 88 A F + 0 0 78 -2,-0.3 36,-0.1 39,-0.1 38,-0.1 -0.138 59.7 127.0-133.9 39.9 6.0 19.5 1.1 88 89 A I + 0 0 107 -61,-0.1 2,-0.2 39,-0.1 -1,-0.1 0.916 64.1 60.7 -61.6 -50.3 4.6 23.0 1.8 89 90 A L S S- 0 0 40 38,-0.3 38,-0.5 -3,-0.1 34,-0.3 -0.588 74.2-151.5 -89.7 151.0 7.6 24.2 3.7 90 91 A K - 0 0 96 -2,-0.2 2,-1.6 32,-0.1 3,-0.1 -0.696 29.2 -99.4-118.4 168.5 11.1 24.4 2.2 91 92 A H + 0 0 3 -2,-0.2 27,-0.7 1,-0.2 31,-0.1 -0.599 53.2 161.5 -90.7 79.3 14.7 24.2 3.4 92 93 A T - 0 0 102 -2,-1.6 -1,-0.2 25,-0.2 25,-0.2 0.591 52.9 -47.5 -82.3 -11.4 15.3 27.9 3.5 93 94 A G S > S- 0 0 11 23,-0.3 3,-1.2 -3,-0.1 23,-0.3 -0.993 85.1 -21.9 167.0-177.3 18.4 28.2 5.7 94 95 A P T 3 S+ 0 0 85 0, 0.0 21,-0.3 0, 0.0 23,-0.1 -0.291 114.3 37.5 -53.4 141.8 20.2 27.2 9.0 95 96 A G T 3 S+ 0 0 6 19,-3.3 36,-2.3 1,-0.3 2,-0.2 0.278 76.8 140.3 99.8 -12.7 17.9 26.0 11.8 96 97 A I E < -G 130 0A 14 -3,-1.2 18,-2.8 34,-0.2 2,-0.5 -0.449 41.0-149.2 -69.5 136.0 15.3 24.0 9.6 97 98 A L E +GH 129 113A 0 32,-2.4 31,-2.4 16,-0.2 32,-1.4 -0.933 27.2 165.5-110.0 126.4 14.2 20.8 11.1 98 99 A S E -GH 127 112A 0 14,-2.2 14,-2.4 -2,-0.5 2,-0.4 -0.913 37.1 -99.5-140.5 155.3 13.3 18.2 8.6 99 100 A M E - 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