==== 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 3K0N . COMPND 2 MOLECULE: CYCLOPHILIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.FRASER,T.ALBER . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 65.0 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 31.3 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 . 12 7.4 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 12.3 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 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 0 197 0, 0.0 24,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -38.4 20.2 -2.0 18.3 2 3 A N - 0 0 37 1,-0.1 22,-0.1 20,-0.0 2,-0.1 -0.343 360.0-112.3 -66.0 140.3 17.2 -0.0 16.9 3 4 A P - 0 0 20 0, 0.0 20,-2.6 0, 0.0 2,-0.5 -0.384 21.6-151.5 -75.4 150.7 15.5 2.2 19.5 4 5 A T E -A 22 0A 18 18,-0.2 159,-2.6 -2,-0.1 2,-0.3 -0.983 16.1-179.2-119.7 126.6 11.9 1.6 20.7 5 6 A V E -AB 21 162A 0 16,-1.6 16,-2.4 -2,-0.5 2,-0.3 -0.864 10.9-146.4-121.7 158.0 9.8 4.5 21.9 6 7 A F E -AB 20 161A 17 155,-2.5 155,-1.7 -2,-0.3 2,-0.4 -0.906 7.8-158.1-125.4 154.2 6.3 4.7 23.3 7 8 A F E -AB 19 160A 1 12,-2.7 12,-2.8 -2,-0.3 2,-0.6 -0.998 11.2-151.4-121.7 129.3 3.3 7.0 23.2 8 9 A D E -AB 18 159A 41 151,-3.0 150,-2.2 -2,-0.4 151,-1.1 -0.932 24.5-149.8 -96.0 119.6 0.6 6.8 25.9 9 10 A I E -AB 17 157A 4 8,-3.0 7,-2.8 -2,-0.6 8,-1.1 -0.712 14.7-170.9 -99.8 139.3 -2.6 8.0 24.2 10 11 A A E -AB 15 156A 7 146,-2.4 146,-2.7 -2,-0.3 2,-0.5 -0.948 13.6-150.3-126.5 151.9 -5.5 9.7 25.9 11 12 A V E > S-AB 14 155A 14 3,-2.9 3,-2.4 -2,-0.3 144,-0.2 -0.980 87.4 -22.2-123.9 113.7 -9.0 10.6 24.6 12 13 A D T 3 S- 0 0 98 142,-2.8 -1,-0.1 -2,-0.5 143,-0.1 0.866 129.5 -53.1 47.5 37.7 -10.4 13.7 26.1 13 14 A G T 3 S+ 0 0 63 141,-0.4 -1,-0.3 1,-0.3 142,-0.1 0.467 112.8 123.9 79.8 -0.0 -8.0 13.0 29.0 14 15 A E E < -A 11 0A 138 -3,-2.4 -3,-2.9 1,-0.0 -1,-0.3 -0.813 69.8-112.4 -88.0 131.1 -9.2 9.4 29.4 15 16 A P E +A 10 0A 113 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.365 39.0 171.8 -59.9 140.7 -6.4 6.9 29.1 16 17 A L E - 0 0 58 -7,-2.8 2,-0.3 1,-0.3 -6,-0.2 0.686 46.9 -84.4-113.2 -55.4 -6.7 4.7 26.0 17 18 A G E -A 9 0A 25 -8,-1.1 -8,-3.0 120,-0.0 2,-0.4 -0.983 40.8 -69.7 168.8-172.4 -3.5 2.7 25.9 18 19 A R E -A 8 0A 109 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.873 27.2-167.6-113.9 132.1 0.1 2.5 24.8 19 20 A V E -A 7 0A 2 -12,-2.8 -12,-2.7 -2,-0.4 2,-0.3 -0.971 11.4-163.7-111.5 131.8 1.5 2.3 21.3 20 21 A S E -AC 6 133A 1 113,-2.7 112,-2.1 -2,-0.5 113,-0.8 -0.842 2.8-158.6-114.5 160.4 5.2 1.5 20.9 21 22 A F E -AC 5 131A 0 -16,-2.4 -16,-1.6 -2,-0.3 2,-0.5 -0.982 16.0-141.6-138.3 139.1 7.4 1.9 17.8 22 23 A E E -AC 4 130A 47 108,-2.7 108,-2.0 -2,-0.4 2,-0.5 -0.903 24.1-149.7 -94.4 133.7 10.6 0.5 16.4 23 24 A L E - C 0 129A 0 -20,-2.6 2,-2.0 -2,-0.5 106,-0.3 -0.908 12.6-132.3-107.8 132.3 12.6 3.3 14.8 24 25 A F >> + 0 0 27 104,-2.9 4,-2.8 -2,-0.5 3,-1.2 -0.443 44.3 154.2 -87.1 65.9 14.9 2.2 11.9 25 26 A A T 34 + 0 0 35 -2,-2.0 -1,-0.2 1,-0.3 8,-0.1 0.702 68.5 65.2 -67.2 -20.1 18.0 4.0 13.0 26 27 A D T 34 S+ 0 0 99 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.796 117.0 23.8 -70.6 -26.8 20.0 1.4 11.0 27 28 A K T <4 S+ 0 0 112 -3,-1.2 -2,-0.2 1,-0.1 61,-0.2 0.703 139.8 21.4-114.2 -28.9 18.6 2.6 7.7 28 29 A V X + 0 0 0 -4,-2.8 4,-2.7 100,-0.1 5,-0.2 -0.518 69.0 164.4-137.6 68.5 17.5 6.3 8.4 29 30 A P H > S+ 0 0 71 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.849 73.1 49.9 -61.4 -40.8 19.6 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 0.921 115.8 42.4 -63.9 -43.2 19.1 11.1 11.1 31 32 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.916 115.2 50.6 -71.7 -40.1 15.2 10.8 10.8 32 33 A A H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.919 108.4 52.6 -60.9 -45.1 15.0 8.2 13.5 33 34 A E H X S+ 0 0 66 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.872 105.2 54.9 -62.9 -39.9 17.1 10.3 15.9 34 35 A N H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.965 112.7 42.0 -55.6 -52.1 14.8 13.3 15.4 35 36 A F H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.902 114.2 52.3 -63.9 -41.8 11.7 11.3 16.4 36 37 A R H X S+ 0 0 28 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.947 112.7 44.0 -59.2 -49.8 13.5 9.6 19.3 37 38 A A H X>S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 5,-0.8 0.856 111.6 52.7 -68.3 -36.1 14.7 12.9 20.8 38 39 A L H <5S+ 0 0 1 -4,-2.3 9,-2.1 -5,-0.2 10,-0.5 0.829 108.6 53.5 -66.0 -28.8 11.3 14.6 20.3 39 40 A S H <5S+ 0 0 1 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.815 114.8 37.5 -76.8 -30.1 9.8 11.6 22.1 40 41 A T H <5S- 0 0 49 -4,-1.4 -1,-0.2 121,-0.2 -2,-0.2 0.672 97.4-138.3 -91.7 -21.2 12.1 11.9 25.2 41 42 A G T ><5 + 0 0 30 -4,-1.7 3,-2.0 4,-0.2 -3,-0.2 0.639 53.8 144.0 74.2 17.4 12.0 15.7 25.1 42 43 A E T 3 < + 0 0 105 -5,-0.8 -4,-0.1 1,-0.3 4,-0.1 0.684 64.4 57.3 -67.9 -19.4 15.7 15.7 25.9 43 44 A K T 3 S- 0 0 117 -6,-0.5 -1,-0.3 2,-0.5 3,-0.1 0.429 125.9 -96.6 -86.3 -1.7 16.4 18.8 23.7 44 45 A G S < S+ 0 0 72 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.396 100.7 54.8 104.0 -2.4 13.9 20.9 25.7 45 46 A F + 0 0 59 -8,-0.1 -2,-0.5 32,-0.0 2,-0.3 -0.958 60.3 112.0-152.1 164.8 10.9 20.4 23.4 46 47 A G - 0 0 15 -2,-0.3 -7,-0.2 2,-0.1 -8,-0.1 -0.999 66.9 -39.6 160.0-160.8 8.9 17.5 21.9 47 48 A Y S > S+ 0 0 0 -9,-2.1 3,-2.4 -2,-0.3 110,-0.3 0.628 77.0 118.8 -80.5 -19.2 5.8 15.5 21.6 48 49 A K T 3 S+ 0 0 138 -10,-0.5 110,-0.2 1,-0.3 -2,-0.1 -0.316 88.5 9.8 -59.2 125.6 4.6 15.2 25.2 49 50 A G T 3 S+ 0 0 57 108,-3.0 -1,-0.3 1,-0.3 109,-0.1 0.320 99.6 126.7 89.4 -3.0 1.1 16.8 25.5 50 51 A S < - 0 0 5 -3,-2.4 107,-2.9 107,-0.2 -1,-0.3 -0.299 49.9-127.5 -86.1 166.3 0.6 17.3 21.7 51 52 A C B -D 156 0A 7 14,-0.4 2,-0.8 105,-0.2 13,-0.6 -0.689 14.0-117.5-113.0 162.3 -2.4 16.0 19.7 52 53 A F E -E 63 0A 2 103,-2.5 103,-0.5 -2,-0.2 11,-0.2 -0.912 35.2-178.8 -91.0 108.4 -3.2 14.0 16.7 53 54 A H E + 0 0 35 -2,-0.8 2,-0.4 9,-0.6 98,-0.3 0.629 62.4 41.1 -89.0 -14.7 -4.9 16.7 14.7 54 55 A R E +E 62 0A 90 8,-1.5 8,-3.0 96,-0.1 2,-0.4 -0.973 58.1 167.7-139.9 117.5 -5.9 14.7 11.6 55 56 A I E -E 61 0A 0 94,-2.3 91,-2.0 -2,-0.4 94,-0.3 -0.961 6.1-179.3-135.4 118.0 -7.3 11.1 11.6 56 57 A I E >> -E 60 0A 21 4,-2.7 3,-1.6 -2,-0.4 4,-1.3 -0.950 29.1-128.3-118.8 108.9 -8.8 9.6 8.4 57 58 A P T 34 S+ 0 0 60 0, 0.0 82,-0.0 0, 0.0 86,-0.0 -0.297 93.7 20.9 -62.2 138.9 -10.0 6.1 9.0 58 59 A G T 34 S+ 0 0 54 1,-0.1 56,-0.0 57,-0.1 84,-0.0 0.605 130.0 50.0 80.3 10.7 -8.8 3.6 6.4 59 60 A F T <4 S- 0 0 45 -3,-1.6 56,-2.9 1,-0.2 57,-0.7 0.350 104.6 -44.8-136.2 -80.4 -5.9 5.9 5.7 60 61 A M E < -EF 56 114A 9 -4,-1.3 -4,-2.7 54,-0.3 2,-0.4 -0.989 26.8-126.0-158.8 164.9 -3.7 7.5 8.5 61 62 A C E -EF 55 113A 0 52,-2.2 52,-3.0 -2,-0.3 2,-0.4 -0.991 32.4-164.0-114.9 130.8 -3.3 9.1 11.8 62 63 A Q E +EF 54 112A 24 -8,-3.0 -8,-1.5 -2,-0.4 -9,-0.6 -0.949 22.0 133.3-123.7 136.4 -1.2 12.3 11.7 63 64 A G E +EF 52 111A 0 48,-2.3 48,-1.8 -2,-0.4 -11,-0.2 -0.693 20.1 105.3-150.4-164.2 0.4 14.2 14.6 64 65 A G + 0 0 0 -13,-0.6 2,-1.5 46,-0.2 11,-0.3 0.417 43.5 127.8 97.4 1.0 3.5 15.9 15.8 65 66 A D > + 0 0 1 -14,-0.5 4,-1.1 1,-0.2 -14,-0.4 -0.663 22.9 161.7 -88.5 85.3 2.5 19.6 15.5 66 67 A F T 4 + 0 0 31 -2,-1.5 -1,-0.2 1,-0.2 -20,-0.1 0.465 66.9 51.9 -88.7 3.4 3.5 20.5 19.0 67 68 A T T 4 S+ 0 0 67 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.777 127.5 10.6-107.0 -28.9 3.6 24.3 18.2 68 69 A R T 4 S- 0 0 149 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.494 82.5-140.9-128.8 -10.6 0.3 25.1 16.6 69 70 A H S < S+ 0 0 106 -4,-1.1 -3,-0.1 1,-0.1 -5,-0.0 0.624 82.7 76.1 66.4 19.3 -1.7 21.9 17.1 70 71 A N S S- 0 0 87 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.337 112.9 -86.1-144.9 5.2 -3.3 22.0 13.6 71 72 A G S S+ 0 0 27 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.349 108.0 90.3 101.4 -2.3 -0.8 20.9 11.0 72 73 A T S S+ 0 0 94 -7,-0.1 2,-0.1 0, 0.0 -7,-0.0 0.473 84.5 44.8-104.1 -4.0 0.8 24.2 10.4 73 74 A G + 0 0 15 2,-0.0 36,-0.3 36,-0.0 37,-0.2 -0.264 52.7 109.0-122.5-155.4 3.6 24.0 12.9 74 75 A G - 0 0 16 -9,-0.1 2,-0.3 34,-0.1 -9,-0.1 -0.152 36.6-146.6 99.4 162.1 6.3 21.8 14.4 75 76 A K - 0 0 76 -11,-0.3 5,-0.2 -2,-0.1 33,-0.1 -0.969 11.5-121.5-160.4 152.5 10.1 21.8 14.2 76 77 A S B > -I 79 0B 2 3,-1.9 3,-0.9 -2,-0.3 33,-0.1 -0.389 30.3-110.2 -87.7 171.1 12.9 19.3 14.1 77 78 A I T 3 S+ 0 0 35 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.532 120.0 54.9 -75.3 -7.1 15.9 19.0 16.4 78 79 A Y T 3 S- 0 0 89 1,-0.5 2,-0.3 30,-0.1 -1,-0.2 0.356 126.1 -77.3-103.5 -1.1 18.0 20.2 13.5 79 80 A G B < S-I 76 0B 34 -3,-0.9 -3,-1.9 1,-0.2 -1,-0.5 -0.841 76.2 -37.1 127.5-171.5 16.1 23.4 12.8 80 81 A E S S+ 0 0 149 -2,-0.3 2,-0.3 -5,-0.2 -4,-0.2 0.917 123.6 1.0 -55.4 -43.9 12.8 24.3 11.2 81 82 A K - 0 0 134 -3,-0.2 2,-0.3 -6,-0.1 27,-0.2 -0.956 61.6-162.6-143.3 158.0 13.3 21.7 8.5 82 83 A F B -J 107 0C 7 25,-1.8 25,-2.1 -2,-0.3 3,-0.1 -0.938 30.9 -87.4-141.5 167.1 15.6 19.0 7.3 83 84 A E - 0 0 79 -2,-0.3 2,-0.6 23,-0.2 3,-0.1 -0.159 42.6 -95.0 -71.3 160.8 16.3 17.0 4.2 84 85 A D - 0 0 27 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.682 38.2-158.7 -71.0 114.3 14.8 13.8 2.9 85 86 A E - 0 0 51 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.950 54.9 -47.2 -71.2 -51.5 17.3 11.3 4.2 86 87 A N - 0 0 38 -3,-0.1 -1,-0.3 41,-0.1 41,-0.2 -0.947 36.2-129.6-168.2 170.9 16.6 8.4 1.8 87 88 A F + 0 0 77 -2,-0.3 36,-0.1 39,-0.1 -59,-0.1 -0.194 62.6 124.4-124.3 39.6 13.7 6.5 0.4 88 89 A I + 0 0 98 -61,-0.2 2,-0.3 39,-0.1 -1,-0.1 0.930 63.7 65.7 -60.0 -46.6 14.9 2.9 1.1 89 90 A L S S- 0 0 24 38,-0.3 38,-0.6 -3,-0.1 34,-0.3 -0.572 73.6-152.6 -91.2 139.0 11.8 2.0 3.1 90 91 A K - 0 0 128 -2,-0.3 2,-1.6 32,-0.1 3,-0.1 -0.714 27.9-104.4-113.0 161.3 8.4 1.8 1.6 91 92 A H + 0 0 2 -2,-0.2 27,-0.5 27,-0.2 31,-0.1 -0.612 52.0 161.2 -83.9 86.9 4.8 2.3 2.7 92 93 A T - 0 0 100 -2,-1.6 25,-0.2 1,-0.2 -1,-0.2 0.571 52.7 -53.8 -93.7 -9.4 3.9 -1.4 2.8 93 94 A G S > S- 0 0 9 23,-0.3 3,-1.2 -3,-0.1 23,-0.3 -0.986 84.4 -15.5 163.5-171.7 0.9 -1.5 5.0 94 95 A P T 3 S+ 0 0 87 0, 0.0 21,-0.3 0, 0.0 3,-0.1 -0.259 114.4 34.8 -59.2 143.2 -0.7 -0.6 8.4 95 96 A G T 3 S+ 0 0 5 19,-3.1 36,-2.3 1,-0.3 20,-0.1 0.275 77.7 140.4 98.5 -8.6 1.6 0.4 11.2 96 97 A I E < -G 130 0A 14 -3,-1.2 18,-2.6 34,-0.2 2,-0.5 -0.412 42.7-146.2 -66.1 139.8 4.2 2.2 9.0 97 98 A L E +GH 129 113A 0 32,-2.6 31,-2.7 16,-0.2 32,-1.3 -0.958 27.6 169.2-114.2 118.3 5.6 5.4 10.5 98 99 A S E -GH 127 112A 0 14,-2.4 14,-2.6 -2,-0.5 2,-0.4 -0.906 34.3-103.9-133.7 152.1 6.4 8.1 7.9 99 100 A M E - 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