==== 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 1AWU . COMPND 2 MOLECULE: CYCLOPHILIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.F.VAJDOS . 170 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 26.5 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 . 2 1.2 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-3), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 18 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 8.8 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 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 1 3 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 145 0, 0.0 163,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.5 38.7 34.9 14.3 2 1003 A N - 0 0 46 1,-0.1 22,-0.1 20,-0.0 21,-0.0 -0.586 360.0-114.6 -74.6 123.9 41.1 34.4 11.4 3 1004 A P - 0 0 21 0, 0.0 20,-1.0 0, 0.0 2,-0.4 -0.046 21.9-155.5 -56.3 157.3 42.8 31.0 11.5 4 1005 A T E +A 22 0A 8 18,-0.2 159,-1.8 20,-0.0 160,-1.2 -0.985 18.4 170.4-139.9 122.2 46.5 30.6 12.0 5 1006 A V E -AB 21 162A 0 16,-1.8 16,-2.4 -2,-0.4 2,-0.3 -0.712 11.0-158.1-123.1 176.2 48.3 27.4 10.8 6 1007 A F E -AB 20 161A 19 155,-1.4 155,-1.2 14,-0.3 2,-0.4 -0.974 13.6-142.0-155.5 168.4 51.9 26.5 10.5 7 1008 A F E -AB 19 160A 1 12,-2.7 12,-2.5 -2,-0.3 2,-0.8 -0.983 14.0-144.4-132.2 140.3 54.5 24.2 8.9 8 1009 A D E -A 18 0A 39 151,-2.5 150,-1.3 -2,-0.4 151,-0.4 -0.895 29.1-150.7-108.3 97.1 57.5 22.7 10.6 9 1010 A I E -AB 17 157A 4 8,-1.9 7,-2.7 -2,-0.8 8,-0.6 -0.342 16.5-175.4 -73.5 149.9 60.1 22.8 7.9 10 1011 A A E -AB 15 156A 7 146,-1.5 146,-1.5 5,-0.3 2,-0.2 -0.889 20.2-146.3-136.1 162.4 63.0 20.3 7.5 11 1012 A V E S- B 0 155A 18 3,-1.2 3,-0.4 -2,-0.3 144,-0.2 -0.600 82.7 -38.1-134.9 73.4 66.0 20.2 5.1 12 1013 A D S S- 0 0 97 142,-1.5 2,-1.8 1,-0.3 143,-0.1 0.988 122.6 -42.1 69.6 65.8 66.7 16.4 4.5 13 1014 A G S S+ 0 0 65 141,-0.2 -1,-0.3 1,-0.1 145,-0.1 -0.613 118.8 104.0 85.5 -76.3 66.0 15.3 8.1 14 1015 A E S S- 0 0 161 -2,-1.8 -3,-1.2 -3,-0.4 -1,-0.1 -0.116 76.8-127.3 -44.9 97.7 67.8 18.2 9.7 15 1016 A P E -A 10 0A 107 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.012 25.0-172.2 -50.7 146.6 64.9 20.4 11.0 16 1017 A L E - 0 0 57 -7,-2.7 2,-0.3 1,-0.3 -6,-0.2 0.783 41.3 -88.0-105.8 -69.5 64.9 24.1 10.0 17 1018 A G E -A 9 0A 24 -8,-0.6 -8,-1.9 120,-0.1 2,-0.4 -0.924 42.3 -62.8-178.8-159.6 62.1 25.9 11.8 18 1019 A R E -A 8 0A 100 -2,-0.3 2,-0.4 -10,-0.2 119,-0.3 -0.903 26.3-169.8-120.4 145.3 58.5 26.9 11.8 19 1020 A V E -A 7 0A 1 -12,-2.5 -12,-2.7 -2,-0.4 2,-0.3 -0.998 11.9-171.3-130.9 124.0 56.5 29.1 9.5 20 1021 A S E -AC 6 133A 12 113,-2.1 112,-2.8 -2,-0.4 113,-0.6 -0.827 3.7-161.0-114.3 160.4 53.0 30.1 10.6 21 1022 A F E -AC 5 131A 0 -16,-2.4 -16,-1.8 -2,-0.3 2,-0.8 -0.980 21.1-128.4-141.3 153.8 50.4 31.9 8.5 22 1023 A E E -A 4 0A 58 108,-2.9 108,-0.4 -2,-0.3 -18,-0.2 -0.856 27.7-154.8-103.3 97.4 47.2 33.9 9.0 23 1024 A L - 0 0 0 -20,-1.0 2,-0.4 -2,-0.8 106,-0.2 -0.267 23.9-112.0 -62.8 162.1 44.5 32.4 6.7 24 1025 A F - 0 0 16 104,-1.2 8,-0.3 4,-0.2 4,-0.2 -0.858 31.6-178.9-107.0 135.1 41.8 34.9 5.8 25 1026 A A S S+ 0 0 36 -2,-0.4 -1,-0.2 2,-0.1 7,-0.1 0.927 79.9 31.0 -88.7 -76.6 38.2 34.6 7.0 26 1027 A D S S+ 0 0 134 1,-0.2 -2,-0.1 2,-0.1 -1,-0.0 0.725 125.4 48.6 -57.9 -25.1 35.9 37.4 5.7 27 1028 A K S S+ 0 0 74 1,-0.2 -1,-0.2 2,-0.0 61,-0.2 0.936 129.6 12.3 -81.5 -52.3 38.0 37.6 2.5 28 1029 A V > + 0 0 0 -4,-0.2 4,-1.4 1,-0.1 5,-0.4 -0.759 62.9 165.5-132.1 86.4 38.2 33.9 1.6 29 1030 A P T 4 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.632 85.9 32.9 -74.0 -15.4 35.8 31.7 3.6 30 1031 A K T > S+ 0 0 83 3,-0.1 4,-0.7 2,-0.1 -2,-0.1 0.650 118.9 49.0-112.9 -25.1 36.1 28.7 1.3 31 1032 A T H > S+ 0 0 1 2,-0.2 4,-1.6 3,-0.1 5,-0.1 0.861 112.3 46.2 -83.5 -40.8 39.8 29.0 0.2 32 1033 A A H X S+ 0 0 6 -4,-1.4 4,-2.6 -8,-0.3 5,-0.1 0.908 109.4 55.8 -66.9 -43.6 41.4 29.5 3.6 33 1034 A E H > S+ 0 0 80 -5,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.850 104.8 55.0 -56.4 -37.0 39.3 26.6 5.0 34 1035 A N H X S+ 0 0 0 -4,-0.7 4,-0.8 1,-0.2 -1,-0.2 0.969 112.4 40.1 -59.6 -57.4 40.8 24.4 2.2 35 1036 A F H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.784 115.2 55.2 -63.4 -33.1 44.4 25.2 3.3 36 1037 A R H X S+ 0 0 29 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.994 107.5 45.7 -64.5 -60.8 43.4 25.0 6.9 37 1038 A A H X>S+ 0 0 1 -4,-2.8 5,-1.9 1,-0.2 4,-1.2 0.647 118.9 45.3 -57.6 -16.8 42.0 21.5 6.8 38 1039 A L H <5S+ 0 0 0 -4,-0.8 9,-1.0 2,-0.2 10,-0.5 0.839 105.8 55.7 -95.0 -40.0 45.0 20.4 4.8 39 1040 A S H <5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.880 114.0 46.1 -57.2 -37.7 47.7 22.1 6.9 40 1041 A T H <5S- 0 0 46 -4,-2.4 -1,-0.2 -5,-0.2 120,-0.2 0.965 107.0-129.3 -66.8 -54.1 46.1 20.1 9.7 41 1042 A G T ><5 + 0 0 27 -4,-1.2 3,-1.2 -5,-0.2 2,-0.3 0.650 43.6 170.7 97.8 31.9 46.0 16.8 7.7 42 1043 A E T 3 < + 0 0 77 -5,-1.9 -4,-0.1 1,-0.2 4,-0.1 0.139 63.3 34.1 -62.2 11.7 42.3 16.6 8.6 43 1044 A K T 3 S- 0 0 109 2,-0.7 -1,-0.2 -2,-0.3 3,-0.1 0.186 122.6 -79.1-156.5 26.0 41.3 13.7 6.4 44 1045 A G S < S+ 0 0 86 -3,-1.2 2,-0.3 1,-0.2 -2,-0.1 0.425 118.4 61.3 86.3 -5.4 44.1 11.2 6.0 45 1046 A F + 0 0 57 -4,-0.0 -2,-0.7 0, 0.0 2,-0.3 -0.973 57.5 107.9-149.9 151.9 45.7 13.6 3.4 46 1047 A G S S- 0 0 4 -2,-0.3 4,-0.2 2,-0.2 -7,-0.2 -0.904 85.1 -50.1 162.1-168.3 46.9 17.2 3.6 47 1048 A Y S > S+ 0 0 0 -9,-1.0 3,-1.4 -2,-0.3 2,-0.3 0.530 86.6 127.4 -72.3 -3.7 50.3 18.8 3.5 48 1049 A K T 3 S- 0 0 120 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.320 89.5 -2.2 -59.3 113.2 51.8 16.5 6.2 49 1050 A G T 3 S+ 0 0 45 108,-2.6 -1,-0.3 -2,-0.3 109,-0.1 0.129 103.6 125.0 93.3 -22.3 55.0 15.0 4.7 50 1051 A S < - 0 0 1 -3,-1.4 107,-2.0 -4,-0.2 -1,-0.3 -0.015 47.1-140.8 -63.1 170.2 54.5 16.8 1.3 51 1052 A C B -D 156 0A 10 14,-0.4 2,-0.8 105,-0.2 13,-0.8 -0.685 19.8-100.3-132.9-177.2 57.3 19.0 -0.1 52 1053 A F + 0 0 1 103,-1.6 103,-0.4 -2,-0.2 11,-0.2 -0.848 40.0 168.0-103.9 87.9 58.4 22.1 -2.0 53 1054 A H + 0 0 31 -2,-0.8 98,-0.6 1,-0.2 2,-0.5 0.768 68.0 45.6 -71.6 -29.1 59.2 20.8 -5.5 54 1055 A R E +EF 62 150B 43 8,-1.1 8,-2.1 96,-0.1 2,-0.5 -0.866 64.1 163.8-126.4 100.4 59.4 24.2 -7.1 55 1056 A I E -E 61 0B 0 94,-2.8 91,-1.9 -2,-0.5 94,-0.3 -0.950 11.0-174.8-119.2 120.7 61.5 26.9 -5.3 56 1057 A I E >> -E 60 0B 18 4,-2.5 3,-2.2 -2,-0.5 4,-2.0 -0.904 27.1-125.8-117.7 103.5 62.6 30.0 -7.2 57 1058 A P T 34 S+ 0 0 45 0, 0.0 4,-0.0 0, 0.0 82,-0.0 -0.244 93.8 13.5 -50.7 121.5 65.0 32.4 -5.3 58 1059 A G T 34 S+ 0 0 45 57,-0.1 56,-0.0 1,-0.1 84,-0.0 0.203 130.9 52.0 95.3 -10.2 63.7 36.0 -5.2 59 1060 A F T <4 S- 0 0 11 -3,-2.2 56,-2.0 1,-0.3 57,-0.4 0.754 106.8 -48.3-119.7 -67.5 60.2 34.9 -6.4 60 1061 A M E < -EG 56 114B 0 -4,-2.0 -4,-2.5 54,-0.3 2,-0.4 -0.992 28.0-122.9-169.1 169.3 58.5 32.1 -4.5 61 1062 A C E -EG 55 113B 0 52,-1.5 52,-3.1 -2,-0.3 2,-0.4 -0.993 34.0-160.4-120.9 130.2 58.5 28.7 -2.9 62 1063 A Q E +EG 54 112B 0 -8,-2.1 -8,-1.1 -2,-0.4 50,-0.3 -0.926 24.9 131.7-120.3 142.7 55.8 26.3 -4.2 63 1064 A G E + G 0 111B 0 48,-3.0 48,-3.2 -2,-0.4 -11,-0.2 -0.882 16.0 114.1-163.3-171.1 54.4 23.2 -2.7 64 1065 A G + 0 0 0 -13,-0.8 2,-1.2 46,-0.3 11,-0.3 0.163 46.4 117.0 120.9 -22.6 51.1 21.5 -1.9 65 1066 A D + 0 0 1 -14,-0.3 -14,-0.4 1,-0.2 4,-0.4 -0.693 25.5 165.0 -86.2 95.0 51.1 18.4 -4.1 66 1067 A F + 0 0 30 -2,-1.2 -1,-0.2 -16,-0.1 -19,-0.0 0.586 68.7 58.9 -86.5 -7.1 51.0 15.5 -1.7 67 1068 A T S S+ 0 0 70 -3,-0.1 -1,-0.1 1,-0.0 -2,-0.1 0.979 122.6 3.7 -84.8 -71.2 50.0 13.1 -4.4 68 1069 A R S S- 0 0 143 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.535 83.8-138.3 -98.9 -10.8 52.6 13.0 -7.3 69 1070 A H S S+ 0 0 85 -4,-0.4 -3,-0.1 1,-0.1 -17,-0.1 0.949 81.0 76.6 50.5 62.7 55.2 15.4 -5.8 70 1071 A N S S- 0 0 69 -16,-0.0 -1,-0.1 -5,-0.0 -4,-0.0 0.315 112.6 -75.5-161.8 -41.9 55.9 17.3 -9.0 71 1072 A G S S+ 0 0 1 95,-0.1 96,-2.1 -18,-0.0 -8,-0.0 0.503 112.8 75.6 136.3 24.4 53.2 19.8 -9.9 72 1073 A T S S+ 0 0 70 94,-0.2 0, 0.0 -7,-0.0 0, 0.0 0.558 87.1 55.0-126.5 -33.2 50.4 17.7 -11.3 73 1074 A G + 0 0 7 -8,-0.1 36,-0.3 94,-0.1 37,-0.2 0.235 56.9 96.2 -85.6-149.6 48.8 16.1 -8.2 74 1075 A G - 0 0 9 34,-0.1 2,-0.2 35,-0.1 -9,-0.2 -0.298 47.7-152.3 86.8 177.5 47.4 17.4 -5.0 75 1076 A K - 0 0 67 -11,-0.3 6,-0.2 -2,-0.1 5,-0.2 -0.791 13.0-112.6 174.4 143.1 43.7 18.1 -4.4 76 1077 A S - 0 0 0 4,-1.3 3,-0.4 31,-0.3 33,-0.1 -0.039 43.1 -98.4 -73.1-177.7 41.3 20.2 -2.5 77 1078 A I S S+ 0 0 34 1,-0.2 -1,-0.1 31,-0.2 31,-0.0 0.384 117.5 69.9 -85.7 5.7 38.9 18.9 0.2 78 1079 A Y S S- 0 0 88 0, 0.0 2,-1.2 0, 0.0 3,-0.4 -0.371 128.9 -79.5-114.9 45.4 36.1 18.8 -2.4 79 1080 A G S S- 0 0 48 -3,-0.4 3,-0.1 1,-0.2 29,-0.0 -0.690 93.4 -36.5 96.2 -84.6 37.6 15.9 -4.4 80 1081 A E S S+ 0 0 132 -2,-1.2 -4,-1.3 1,-0.4 2,-0.3 0.543 114.3 24.6-143.1 -43.3 40.3 17.5 -6.5 81 1082 A K - 0 0 148 -3,-0.4 -1,-0.4 -6,-0.2 2,-0.3 -0.899 48.6-173.5-136.1 162.5 39.5 21.0 -7.8 82 1083 A F B -J 107 0C 14 25,-0.7 25,-1.3 -2,-0.3 3,-0.2 -0.987 33.3 -86.0-157.5 145.5 37.4 24.2 -7.1 83 1084 A E - 0 0 120 -2,-0.3 2,-0.8 1,-0.2 3,-0.1 0.255 55.6 -83.8 -43.1 164.9 36.5 27.5 -8.7 84 1085 A D - 0 0 25 1,-0.2 -1,-0.2 22,-0.0 3,-0.1 -0.718 43.0-151.1 -75.5 110.5 38.6 30.7 -8.3 85 1086 A E - 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