==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (ISOMERASE/PEPTIDE) 05-OCT-97 1AWT . COMPND 2 MOLECULE: CYCLOPHILIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.F.VAJDOS . 1020 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45043.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 659 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 281 27.5 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 . 20 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 110 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 1 0 2 1 2 0 0 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 . 16 0 19 10 0 0 7 5 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 2 0 0 0 5 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 1002 A V 0 0 178 0, 0.0 24,-0.0 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0 -22.7 14.3 33.9 13.9 2 1003 A N - 0 0 21 23,-0.1 22,-0.1 22,-0.1 2,-0.1 -0.775 360.0-116.3 -89.2 128.0 15.9 31.7 11.3 3 1004 A P - 0 0 19 0, 0.0 20,-3.0 0, 0.0 2,-0.5 -0.327 21.0-154.8 -65.1 139.4 14.8 28.1 11.3 4 1005 A T E +A 22 0A 10 18,-0.2 159,-3.1 -2,-0.1 160,-1.2 -0.969 20.2 167.0-121.4 116.0 17.2 25.2 12.0 5 1006 A V E -AB 21 162A 0 16,-1.4 16,-2.9 -2,-0.5 2,-0.3 -0.707 13.8-156.2-119.5 174.3 16.4 21.8 10.7 6 1007 A F E -AB 20 161A 18 155,-1.8 155,-1.3 14,-0.3 2,-0.4 -0.988 14.4-142.0-153.4 163.1 18.6 18.7 10.4 7 1008 A F E -AB 19 160A 0 12,-2.6 12,-2.7 -2,-0.3 2,-0.8 -0.995 11.6-149.3-129.2 128.7 19.2 15.4 8.7 8 1009 A D E -AB 18 159A 37 151,-3.8 150,-1.8 -2,-0.4 151,-1.0 -0.914 27.9-148.7 -97.3 106.9 20.5 12.2 10.5 9 1010 A I E -AB 17 157A 3 8,-2.6 7,-3.1 -2,-0.8 8,-1.4 -0.665 16.9-174.0 -85.5 134.7 22.5 10.5 7.7 10 1011 A A E -AB 15 156A 5 146,-2.6 146,-2.9 -2,-0.3 2,-0.8 -0.993 17.2-148.2-128.6 132.3 22.8 6.8 7.4 11 1012 A V E > S-AB 14 155A 24 3,-2.5 3,-1.0 -2,-0.4 144,-0.2 -0.893 87.4 -22.7-103.0 101.5 25.0 4.8 5.0 12 1013 A D T 3 S- 0 0 101 142,-2.8 -1,-0.2 -2,-0.8 143,-0.1 0.828 126.9 -50.5 67.0 40.3 23.2 1.6 4.2 13 1014 A G T 3 S+ 0 0 66 141,-0.3 -1,-0.3 1,-0.2 142,-0.0 -0.039 116.5 109.5 92.1 -34.6 21.1 1.6 7.4 14 1015 A E E < S-A 11 0A 158 -3,-1.0 -3,-2.5 1,-0.1 -1,-0.2 -0.691 76.4-116.8 -78.3 117.7 24.1 2.2 9.7 15 1016 A P E +A 10 0A 106 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.180 32.8 178.9 -55.5 146.2 24.0 5.8 11.1 16 1017 A L E - 0 0 70 -7,-3.1 2,-0.3 1,-0.4 -6,-0.2 0.703 51.1 -63.2-115.2 -49.5 26.9 8.1 10.1 17 1018 A G E -A 9 0A 23 -8,-1.4 -8,-2.6 2,-0.0 -1,-0.4 -0.945 47.3 -85.4 171.5 172.4 26.2 11.5 11.7 18 1019 A R E -A 8 0A 119 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.764 27.6-165.2-102.8 149.6 23.8 14.5 12.0 19 1020 A V E -A 7 0A 0 -12,-2.7 -12,-2.6 -2,-0.3 2,-0.3 -0.956 7.2-163.4-136.0 112.8 23.8 17.5 9.7 20 1021 A S E -AC 6 133A 10 113,-1.7 112,-2.0 -2,-0.4 113,-0.8 -0.674 4.6-158.4 -95.7 155.4 21.9 20.7 10.6 21 1022 A F E -AC 5 131A 0 -16,-2.9 -16,-1.4 110,-0.3 2,-0.5 -0.932 14.0-135.8-131.0 155.0 21.0 23.6 8.3 22 1023 A E E -AC 4 130A 46 108,-2.7 108,-1.8 -2,-0.3 2,-0.7 -0.939 19.1-147.5-110.5 123.8 20.1 27.2 8.7 23 1024 A L E - C 0 129A 0 -20,-3.0 2,-2.3 -2,-0.5 3,-0.3 -0.848 9.6-140.3 -97.3 118.5 17.1 28.3 6.6 24 1025 A F >> + 0 0 24 104,-2.1 4,-2.4 -2,-0.7 3,-1.6 -0.412 41.0 154.7 -73.8 65.5 17.5 31.9 5.4 25 1026 A A T 34 + 0 0 29 -2,-2.3 -1,-0.2 1,-0.3 5,-0.1 0.773 64.4 73.9 -63.1 -28.4 13.8 32.8 5.9 26 1027 A D T 34 S+ 0 0 100 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.540 115.2 19.8 -65.3 -1.6 14.9 36.4 6.4 27 1028 A K T <4 S+ 0 0 98 -3,-1.6 -2,-0.2 101,-0.1 -1,-0.2 0.602 136.4 25.2-133.1 -42.1 15.5 36.5 2.6 28 1029 A V X + 0 0 1 -4,-2.4 4,-2.5 100,-0.2 3,-0.2 -0.538 63.7 169.7-135.2 73.8 13.5 33.6 0.9 29 1030 A P H > S+ 0 0 66 0, 0.0 4,-4.2 0, 0.0 5,-0.3 0.858 73.5 46.8 -48.2 -62.7 10.4 32.6 3.0 30 1031 A K H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.872 119.1 42.4 -56.9 -37.0 8.4 30.3 0.8 31 1032 A T H > S+ 0 0 0 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.890 117.6 47.9 -73.8 -43.5 11.5 28.3 -0.2 32 1033 A A H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 3,-0.4 0.974 114.2 45.5 -60.0 -55.2 12.7 28.4 3.4 33 1034 A E H X S+ 0 0 80 -4,-4.2 4,-3.7 1,-0.2 5,-0.3 0.869 107.7 57.1 -57.4 -46.0 9.3 27.3 4.9 34 1035 A N H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.873 109.9 44.7 -55.3 -40.9 8.8 24.5 2.3 35 1036 A F H X S+ 0 0 1 -4,-1.5 4,-1.3 -3,-0.4 -1,-0.2 0.853 116.5 46.0 -72.8 -36.2 12.1 22.8 3.3 36 1037 A R H X S+ 0 0 22 -4,-1.8 4,-1.5 2,-0.2 5,-0.2 0.934 114.8 47.4 -68.9 -49.4 11.4 23.2 7.1 37 1038 A A H X>S+ 0 0 0 -4,-3.7 5,-1.7 1,-0.2 4,-1.0 0.792 117.8 42.4 -61.4 -32.9 7.9 22.0 6.7 38 1039 A L H <5S+ 0 0 0 -4,-1.5 9,-2.0 -5,-0.3 10,-0.3 0.645 108.6 58.7 -89.3 -18.9 9.1 19.0 4.6 39 1040 A S H <5S+ 0 0 1 -4,-1.3 -2,-0.2 7,-0.2 -3,-0.2 0.754 111.8 41.4 -79.3 -26.0 12.1 18.3 6.9 40 1041 A T H <5S- 0 0 47 -4,-1.5 -2,-0.2 121,-0.2 -1,-0.1 0.813 104.3-134.8 -87.7 -31.5 9.7 17.8 9.8 41 1042 A G T <5 + 0 0 34 -4,-1.0 -3,-0.2 -5,-0.2 5,-0.1 0.927 48.5 152.9 76.6 50.0 7.2 15.9 7.7 42 1043 A E < + 0 0 98 -5,-1.7 -4,-0.1 1,-0.2 4,-0.1 0.714 65.5 52.4 -85.9 -18.5 4.2 17.8 9.0 43 1044 A K S S- 0 0 110 2,-0.5 -1,-0.2 -6,-0.4 3,-0.1 0.663 126.3 -92.6 -89.1 -17.8 1.9 17.4 6.0 44 1045 A G S S+ 0 0 70 1,-0.5 2,-0.3 -6,-0.0 -2,-0.1 0.310 103.6 66.6 120.7 -3.3 2.3 13.6 6.0 45 1046 A F + 0 0 60 32,-0.0 -2,-0.5 0, 0.0 -1,-0.5 -0.950 57.1 104.4-142.6 157.9 5.2 13.5 3.5 46 1047 A G S S- 0 0 14 -2,-0.3 -7,-0.2 2,-0.2 4,-0.2 -0.992 72.8 -39.8 163.6-162.9 8.8 14.7 3.6 47 1048 A Y S > S+ 0 0 0 -9,-2.0 3,-2.0 -2,-0.3 110,-0.3 0.696 81.3 115.1 -70.4 -26.3 12.5 13.8 3.9 48 1049 A K T 3 S+ 0 0 137 -10,-0.3 110,-0.2 1,-0.3 -2,-0.2 -0.268 94.1 5.0 -52.1 113.0 12.5 11.1 6.6 49 1050 A G T 3 S+ 0 0 38 108,-4.1 -1,-0.3 1,-0.4 109,-0.1 0.100 99.8 121.9 100.4 -25.4 13.6 7.9 4.9 50 1051 A S < - 0 0 2 -3,-2.0 107,-3.6 107,-0.2 -1,-0.4 -0.346 49.7-142.0 -70.9 157.2 14.5 9.5 1.5 51 1052 A C B -D 156 0A 16 14,-0.3 2,-1.0 105,-0.3 14,-0.4 -0.466 22.7 -99.0-114.0 177.1 18.0 9.1 0.1 52 1053 A F + 0 0 1 103,-2.4 103,-0.4 11,-0.2 11,-0.2 -0.837 38.8 178.8 -99.2 90.2 20.6 11.1 -1.8 53 1054 A H + 0 0 35 -2,-1.0 98,-0.4 1,-0.2 2,-0.4 0.690 69.4 42.8 -65.7 -19.7 20.0 9.7 -5.3 54 1055 A R E +E 62 0A 54 8,-1.7 8,-3.8 96,-0.1 2,-0.5 -0.897 60.8 162.4-136.9 106.6 22.6 11.9 -6.8 55 1056 A I E -E 61 0A 0 94,-1.9 6,-0.2 -2,-0.4 94,-0.2 -0.965 10.1-176.3-125.2 116.2 26.0 12.7 -5.3 56 1057 A I E >> -E 60 0A 12 4,-2.4 3,-2.1 -2,-0.5 4,-1.0 -0.898 31.4-120.7-114.4 104.5 28.8 14.2 -7.5 57 1058 A P T 34 S+ 0 0 37 0, 0.0 82,-0.0 0, 0.0 59,-0.0 -0.020 94.2 12.3 -43.5 131.4 32.1 14.6 -5.5 58 1059 A G T 34 S+ 0 0 47 1,-0.1 56,-0.0 57,-0.1 59,-0.0 0.401 128.8 59.1 79.5 -5.3 33.5 18.1 -5.4 59 1060 A F T <4 S- 0 0 8 -3,-2.1 56,-2.7 1,-0.3 57,-0.5 0.637 103.9 -57.1-113.6 -82.4 30.2 19.4 -6.6 60 1061 A X E < -EF 56 114A 0 -4,-1.0 -4,-2.4 54,-0.3 2,-0.4 -0.942 29.9-116.6-159.4 175.6 27.0 18.7 -4.6 61 1062 A C E -EF 55 113A 0 52,-2.1 52,-2.7 -2,-0.3 2,-0.4 -0.995 30.0-159.2-126.5 119.6 24.7 16.1 -3.0 62 1063 A Q E +EF 54 112A 0 -8,-3.8 -8,-1.7 -2,-0.4 50,-0.2 -0.866 28.3 131.9-107.5 134.9 21.1 15.9 -4.3 63 1064 A G E + F 0 111A 0 48,-2.3 48,-1.6 -2,-0.4 -11,-0.2 -0.646 19.7 109.8-150.6-155.5 18.2 14.5 -2.5 64 1065 A G + 0 0 0 -13,-0.4 2,-1.4 46,-0.2 11,-0.2 0.368 47.1 125.9 92.0 -5.7 14.6 15.5 -1.6 65 1066 A D > + 0 0 1 -14,-0.4 4,-0.9 1,-0.2 -14,-0.3 -0.602 19.2 155.9 -89.9 80.0 12.9 12.9 -3.9 66 1067 A F T 4 S+ 0 0 30 -2,-1.4 -1,-0.2 2,-0.1 -20,-0.1 0.514 70.9 44.9 -81.8 -6.9 10.6 11.1 -1.5 67 1068 A T T 4 S+ 0 0 52 -3,-0.1 -1,-0.1 -17,-0.0 -2,-0.1 0.863 129.8 12.9-100.4 -57.4 8.1 10.0 -4.3 68 1069 A R T 4 S- 0 0 139 1,-0.0 -2,-0.1 0, 0.0 -3,-0.1 0.483 76.8-158.4-101.6 -2.8 10.2 8.6 -7.2 69 1070 A H S < S+ 0 0 79 -4,-0.9 -3,-0.1 1,-0.2 -4,-0.0 0.530 74.2 83.9 34.8 21.4 13.6 8.4 -5.5 70 1071 A N S S- 0 0 106 -16,-0.0 -1,-0.2 0, 0.0 0, 0.0 0.118 117.8 -86.4-131.6 19.1 15.4 8.5 -8.9 71 1072 A G S S+ 0 0 8 -6,-0.1 921,-0.6 2,-0.0 -2,-0.1 0.562 112.1 89.8 86.1 12.4 15.5 12.2 -9.4 72 1073 A T S S+ 0 0 86 919,-0.2 920,-0.2 -7,-0.1 -3,-0.0 0.829 80.3 42.7-104.7 -43.9 12.1 12.4 -11.0 73 1074 A G + 0 0 5 -8,-0.1 36,-0.2 918,-0.1 2,-0.1 0.014 50.3 106.6 -95.5-159.4 9.7 13.0 -8.2 74 1075 A G - 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