==== 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 3K0M . 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) . 7552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 66.5 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 31.7 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 . 1 0.6 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 2 3 0 0 0 2 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 0 153 0, 0.0 3,-0.1 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 -30.4 -19.9 -1.8 -18.6 2 3 A N - 0 0 33 1,-0.1 22,-0.1 22,-0.0 2,-0.0 -0.485 360.0-109.7 -60.7 135.9 -17.1 0.2 -16.9 3 4 A P - 0 0 21 0, 0.0 20,-2.5 0, 0.0 2,-0.4 -0.295 24.9-147.7 -68.2 151.6 -15.5 2.4 -19.5 4 5 A T E -AB 22 163A 16 159,-0.5 159,-2.2 18,-0.2 2,-0.3 -0.985 16.3-176.0-118.1 131.6 -12.0 1.8 -20.8 5 6 A V E -AB 21 162A 0 16,-1.9 16,-2.7 -2,-0.4 2,-0.3 -0.891 9.1-148.3-123.2 157.4 -9.8 4.7 -21.8 6 7 A F E -AB 20 161A 19 155,-2.6 155,-1.7 -2,-0.3 2,-0.4 -0.942 7.4-160.3-124.0 150.8 -6.3 4.8 -23.3 7 8 A F E -AB 19 160A 1 12,-2.8 12,-2.7 -2,-0.3 2,-0.7 -0.999 11.0-152.0-119.4 129.6 -3.3 7.1 -23.2 8 9 A D E -AB 18 159A 42 151,-3.0 150,-2.0 -2,-0.4 151,-1.4 -0.930 25.9-151.5 -96.2 114.7 -0.6 6.8 -26.0 9 10 A I E -AB 17 157A 3 8,-3.1 7,-3.0 -2,-0.7 8,-1.2 -0.720 13.8-168.3 -95.0 139.9 2.5 8.0 -24.2 10 11 A A E -AB 15 156A 4 146,-2.4 146,-2.5 -2,-0.3 2,-0.5 -0.922 12.8-149.2-125.9 153.4 5.5 9.7 -25.8 11 12 A V E > S-AB 14 155A 16 3,-2.7 3,-2.4 -2,-0.3 144,-0.2 -0.985 88.4 -19.4-124.0 113.5 9.0 10.4 -24.4 12 13 A D T 3 S- 0 0 103 142,-2.7 -1,-0.1 -2,-0.5 143,-0.1 0.890 131.5 -52.5 45.8 42.1 10.6 13.6 -25.9 13 14 A G T 3 S+ 0 0 61 141,-0.5 -1,-0.3 1,-0.3 142,-0.1 0.247 113.3 122.5 84.5 -10.2 8.0 13.1 -28.6 14 15 A E E < S-A 11 0A 137 -3,-2.4 -3,-2.7 1,-0.1 -1,-0.3 -0.674 70.7-109.2 -87.2 133.1 9.0 9.5 -29.4 15 16 A P E +A 10 0A 106 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.446 39.7 171.5 -66.3 128.9 6.2 7.0 -29.1 16 17 A L E - 0 0 59 -7,-3.0 2,-0.3 1,-0.3 -6,-0.2 0.826 47.8 -83.3-100.6 -56.5 6.6 4.7 -26.1 17 18 A G E -A 9 0A 25 -8,-1.2 -8,-3.1 120,-0.0 2,-0.4 -0.980 42.5 -68.6 168.7-173.2 3.4 2.7 -25.9 18 19 A R E -A 8 0A 110 -2,-0.3 2,-0.4 -10,-0.2 119,-0.2 -0.870 25.8-167.9-112.6 134.5 -0.2 2.6 -24.7 19 20 A V E -A 7 0A 1 -12,-2.7 -12,-2.8 -2,-0.4 2,-0.4 -0.967 10.9-166.2-112.3 135.8 -1.7 2.4 -21.3 20 21 A S E -AC 6 133A 1 113,-2.6 112,-3.2 -2,-0.4 113,-1.4 -0.967 4.0-158.0-123.0 147.1 -5.4 1.6 -20.9 21 22 A F E -AC 5 131A 0 -16,-2.7 -16,-1.9 -2,-0.4 2,-0.5 -0.943 15.6-139.0-124.8 139.4 -7.4 2.0 -17.8 22 23 A E E -AC 4 130A 54 108,-2.6 108,-2.0 -2,-0.4 2,-0.5 -0.862 24.6-148.5 -88.7 128.8 -10.7 0.5 -16.5 23 24 A L E - C 0 129A 0 -20,-2.5 2,-2.3 -2,-0.5 106,-0.3 -0.919 12.0-132.5-102.7 127.7 -12.7 3.3 -14.8 24 25 A F >> + 0 0 29 104,-2.7 4,-2.9 -2,-0.5 3,-1.7 -0.369 44.4 154.6 -83.1 63.9 -14.8 2.2 -11.9 25 26 A A T 34 + 0 0 32 -2,-2.3 -1,-0.2 1,-0.3 8,-0.1 0.781 68.3 66.6 -60.2 -27.9 -18.0 3.9 -13.0 26 27 A D T 34 S+ 0 0 102 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.734 117.6 22.0 -66.8 -21.9 -20.0 1.3 -11.0 27 28 A K T <4 S+ 0 0 93 -3,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.693 139.2 22.9-116.0 -28.9 -18.5 2.6 -7.7 28 29 A V X + 0 0 0 -4,-2.9 4,-2.8 100,-0.2 5,-0.3 -0.587 67.6 163.7-138.2 69.1 -17.4 6.2 -8.4 29 30 A P H > S+ 0 0 72 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.864 73.7 49.4 -61.0 -40.5 -19.5 7.3 -11.4 30 31 A K H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 -5,-0.1 0.924 116.1 42.5 -66.6 -42.0 -18.9 11.1 -11.0 31 32 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.907 115.0 50.1 -72.5 -41.5 -15.1 10.7 -10.7 32 33 A A H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.919 109.0 52.8 -61.4 -41.4 -14.9 8.1 -13.5 33 34 A E H X S+ 0 0 66 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.882 105.3 54.2 -66.0 -38.7 -17.0 10.3 -15.8 34 35 A N H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.960 112.9 42.5 -57.2 -51.9 -14.7 13.3 -15.3 35 36 A F H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.904 114.0 52.3 -63.9 -40.7 -11.6 11.3 -16.3 36 37 A R H X S+ 0 0 29 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.948 112.7 43.6 -59.5 -50.6 -13.4 9.6 -19.2 37 38 A A H X>S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 5,-0.8 0.874 111.7 53.0 -67.1 -36.9 -14.6 12.9 -20.6 38 39 A L H <5S+ 0 0 1 -4,-2.4 9,-2.2 -5,-0.3 10,-0.5 0.837 108.9 52.5 -64.9 -32.1 -11.2 14.6 -20.1 39 40 A S H <5S+ 0 0 1 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.821 113.9 40.2 -74.2 -31.3 -9.7 11.6 -22.0 40 41 A T H <5S- 0 0 49 -4,-1.6 -2,-0.2 121,-0.2 -1,-0.2 0.699 98.1-137.9 -86.6 -20.6 -12.0 12.0 -25.0 41 42 A G T ><5 + 0 0 29 -4,-1.8 3,-2.4 -5,-0.2 -3,-0.2 0.599 53.1 145.3 75.2 13.2 -11.8 15.8 -25.0 42 43 A E T 3 < + 0 0 106 -5,-0.8 -4,-0.1 1,-0.3 4,-0.1 0.658 65.1 56.0 -66.1 -15.5 -15.5 16.0 -25.7 43 44 A K T 3 S- 0 0 107 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.430 123.7 -99.2 -90.4 -1.0 -15.9 19.2 -23.5 44 45 A G S < S+ 0 0 72 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.486 101.6 60.0 96.4 3.5 -13.3 21.1 -25.6 45 46 A F + 0 0 53 -8,-0.1 -2,-0.5 -4,-0.1 2,-0.3 -0.969 60.4 109.5-152.3 162.1 -10.5 20.5 -23.1 46 47 A G S S- 0 0 12 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.998 70.2 -42.0 159.5-159.8 -8.8 17.5 -21.6 47 48 A Y S > S+ 0 0 0 -9,-2.2 3,-2.5 -2,-0.3 110,-0.3 0.643 79.7 116.8 -81.5 -17.6 -5.7 15.4 -21.4 48 49 A K T 3 S+ 0 0 141 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.346 89.8 10.0 -61.4 126.6 -4.5 15.2 -25.0 49 50 A G T 3 S+ 0 0 57 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.305 100.9 126.5 92.7 -9.2 -1.1 16.8 -25.3 50 51 A S < - 0 0 3 -3,-2.5 107,-2.9 107,-0.2 -1,-0.3 -0.286 50.4-127.4 -79.9 166.6 -0.6 17.1 -21.5 51 52 A C B -D 156 0A 7 14,-0.3 2,-0.8 105,-0.2 13,-0.6 -0.706 14.1-119.5-112.8 162.7 2.4 15.9 -19.5 52 53 A F E +E 63 0A 2 103,-2.5 103,-0.4 -2,-0.2 11,-0.3 -0.923 37.7 178.5 -93.7 106.2 3.3 13.7 -16.5 53 54 A H E + 0 0 33 -2,-0.8 2,-0.4 9,-0.6 98,-0.3 0.580 61.5 42.6 -92.1 -13.3 5.0 16.4 -14.5 54 55 A R E +E 62 0A 103 8,-1.5 8,-3.4 96,-0.1 2,-0.5 -0.906 60.6 166.2-141.4 110.1 5.9 14.5 -11.3 55 56 A I E -E 61 0A 0 94,-2.4 91,-2.1 -2,-0.4 94,-0.3 -0.986 7.7-178.3-129.5 118.3 7.2 10.9 -11.5 56 57 A I E >> -E 60 0A 17 4,-2.7 4,-1.4 -2,-0.5 3,-1.1 -0.948 27.9-127.6-119.9 107.0 8.8 9.4 -8.4 57 58 A P T 34 S+ 0 0 59 0, 0.0 86,-0.0 0, 0.0 59,-0.0 -0.213 94.8 22.2 -54.8 143.0 10.1 5.8 -8.9 58 59 A G T 34 S+ 0 0 57 1,-0.1 58,-0.0 57,-0.1 56,-0.0 0.780 129.4 48.3 68.1 28.5 8.8 3.3 -6.4 59 60 A F T <4 S- 0 0 50 -3,-1.1 56,-2.5 54,-0.1 57,-0.9 0.185 104.8 -51.1-153.4 -77.0 5.8 5.6 -5.7 60 61 A M E < -EF 56 114A 3 -4,-1.4 -4,-2.7 54,-0.3 2,-0.5 -0.991 28.5-119.5-169.3 164.5 3.7 7.0 -8.5 61 62 A C E -EF 55 113A 0 52,-2.2 52,-2.5 -2,-0.3 2,-0.4 -0.983 31.8-159.0-113.3 126.8 3.4 9.0 -11.8 62 63 A Q E +EF 54 112A 31 -8,-3.4 -8,-1.5 -2,-0.5 -9,-0.6 -0.896 25.3 137.1-112.8 133.0 1.3 12.2 -11.6 63 64 A G E +EF 52 111A 0 48,-2.3 48,-1.9 -2,-0.4 -11,-0.2 -0.688 22.8 100.4-145.2-160.5 -0.3 13.9 -14.5 64 65 A G + 0 0 0 -13,-0.6 2,-1.7 46,-0.3 3,-0.1 0.380 45.0 126.9 91.5 -1.2 -3.5 15.6 -15.6 65 66 A D > + 0 0 1 -14,-0.5 4,-1.3 1,-0.2 -14,-0.3 -0.610 25.2 161.7 -85.5 80.3 -2.4 19.3 -15.2 66 67 A F T 4 + 0 0 29 -2,-1.7 -1,-0.2 1,-0.2 -20,-0.1 0.566 65.9 51.3 -83.1 -5.8 -3.4 20.2 -18.7 67 68 A T T 4 S+ 0 0 59 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.801 128.2 9.8 -99.5 -30.3 -3.5 24.0 -18.0 68 69 A R T 4 S- 0 0 157 -3,-0.0 -2,-0.1 0, 0.0 -3,-0.1 0.542 82.3-139.6-128.0 -13.6 -0.1 24.7 -16.4 69 70 A H S < S+ 0 0 96 -4,-1.3 -3,-0.1 1,-0.1 -5,-0.0 0.685 82.6 74.9 73.1 21.6 1.9 21.5 -16.8 70 71 A N S S- 0 0 94 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.367 112.5 -85.2-151.8 6.8 3.4 21.6 -13.4 71 72 A G S S+ 0 0 28 -6,-0.1 39,-0.1 -17,-0.0 -8,-0.0 0.283 108.5 90.0 100.2 -8.0 0.9 20.6 -10.7 72 73 A T S S+ 0 0 100 -7,-0.1 2,-0.1 0, 0.0 -7,-0.0 0.468 85.6 42.9 -98.5 -4.1 -0.7 24.0 -10.1 73 74 A G + 0 0 14 2,-0.0 36,-0.3 -8,-0.0 37,-0.2 -0.271 52.8 106.1-124.1-154.5 -3.4 23.8 -12.7 74 75 A G - 0 0 15 -9,-0.2 2,-0.3 34,-0.1 -9,-0.1 -0.008 37.7-144.5 95.0 159.5 -6.2 21.6 -14.3 75 76 A K - 0 0 64 33,-0.1 5,-0.2 -2,-0.0 33,-0.2 -0.979 12.3-121.0-155.3 152.5 -9.9 21.7 -14.0 76 77 A S B > -I 79 0B 2 3,-1.5 3,-0.8 -2,-0.3 33,-0.1 -0.372 30.8-109.4 -84.7 173.7 -12.7 19.2 -13.9 77 78 A I T 3 S+ 0 0 32 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.510 118.8 55.0 -77.8 -6.6 -15.7 18.9 -16.2 78 79 A Y T 3 S- 0 0 91 1,-0.5 2,-0.3 30,-0.1 -1,-0.2 0.395 127.6 -65.9-103.3 -2.5 -17.9 20.1 -13.3 79 80 A G B < S-I 76 0B 33 -3,-0.8 -3,-1.5 1,-0.1 -1,-0.5 -0.825 77.0 -50.3 132.3-178.4 -16.0 23.3 -12.5 80 81 A E S S+ 0 0 127 -2,-0.3 2,-0.3 -5,-0.2 -4,-0.3 0.896 122.9 11.4 -61.5 -38.1 -12.6 24.0 -11.1 81 82 A K - 0 0 140 -3,-0.1 2,-0.3 -6,-0.1 27,-0.2 -0.955 62.9-168.7-137.0 154.3 -13.1 21.6 -8.3 82 83 A F B -J 107 0C 9 25,-1.9 25,-2.1 -2,-0.3 3,-0.1 -0.942 31.6 -87.5-140.4 166.3 -15.4 18.8 -7.2 83 84 A E - 0 0 82 -2,-0.3 2,-0.7 23,-0.2 3,-0.1 -0.153 42.9 -95.8 -69.1 158.5 -16.1 16.8 -4.0 84 85 A D - 0 0 27 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.676 38.7-157.2 -68.2 113.6 -14.5 13.6 -2.9 85 86 A E - 0 0 52 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.944 55.8 -47.3 -69.6 -49.2 -17.1 11.2 -4.2 86 87 A N - 0 0 37 -3,-0.1 -1,-0.3 41,-0.1 41,-0.1 -0.945 35.7-129.7-168.8 171.6 -16.4 8.4 -1.8 87 88 A F + 0 0 58 -2,-0.3 36,-0.1 39,-0.1 38,-0.1 -0.171 60.9 127.0-122.4 37.5 -13.5 6.3 -0.4 88 89 A I + 0 0 99 -61,-0.1 2,-0.3 39,-0.1 -1,-0.1 0.926 64.0 61.3 -60.1 -46.0 -14.8 2.9 -1.1 89 90 A L S S- 0 0 39 38,-0.4 38,-0.5 -3,-0.1 34,-0.3 -0.602 74.9-148.3 -92.4 147.1 -11.7 1.8 -3.0 90 91 A K - 0 0 93 -2,-0.3 2,-1.4 32,-0.1 3,-0.1 -0.639 27.4-103.4-113.8 163.9 -8.3 1.6 -1.5 91 92 A H + 0 0 1 -2,-0.2 27,-0.3 1,-0.2 31,-0.1 -0.709 52.6 161.6 -86.3 86.8 -4.7 2.1 -2.8 92 93 A T - 0 0 99 -2,-1.4 25,-0.2 1,-0.2 -1,-0.2 0.568 52.3 -53.1 -93.2 -12.1 -3.9 -1.6 -2.9 93 94 A G S > S- 0 0 9 23,-0.3 3,-1.4 -3,-0.1 23,-0.3 -0.987 84.3 -16.6 165.4-174.1 -0.8 -1.7 -5.2 94 95 A P T 3 S+ 0 0 86 0, 0.0 21,-0.3 0, 0.0 3,-0.1 -0.256 114.9 34.5 -54.9 144.6 0.7 -0.8 -8.5 95 96 A G T 3 S+ 0 0 5 19,-3.2 36,-2.3 1,-0.3 2,-0.1 0.212 77.2 140.5 96.8 -14.5 -1.6 0.3 -11.2 96 97 A I E < -G 130 0A 14 -3,-1.4 18,-2.8 34,-0.2 2,-0.5 -0.415 41.8-148.0 -63.9 134.0 -4.2 2.0 -9.0 97 98 A L E +GH 129 113A 0 32,-2.6 31,-2.4 16,-0.2 32,-1.4 -0.936 28.3 164.4-108.0 123.6 -5.6 5.2 -10.6 98 99 A S E -GH 127 112A 0 14,-2.3 14,-2.8 -2,-0.5 2,-0.4 -0.926 37.2 -97.9-142.9 156.2 -6.5 7.9 -8.0 99 100 A M E - 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