==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/ISOMERASE SUBSTRATE 16-JUN-98 1VBT . COMPND 2 MOLECULE: CYCLOPHILIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.ZHAO,Y.CHEN,M.SCHUTKOWSKI,G.FISCHER,H.KE . 334 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 66.2 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 . 97 29.0 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 2 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 . 31 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 1 0 0 0 2 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 . 6 0 6 4 0 0 3 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 2 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 0 177 0, 0.0 24,-0.1 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0 -58.5 -13.9 62.0 89.0 2 3 A N - 0 0 29 23,-0.1 22,-0.1 22,-0.1 2,-0.1 -0.795 360.0-128.8 -85.3 119.5 -11.9 63.0 85.9 3 4 A P - 0 0 15 0, 0.0 20,-2.3 0, 0.0 2,-0.4 -0.357 14.4-147.3 -66.0 150.2 -8.2 63.0 87.0 4 5 A T E -A 22 0A 1 18,-0.2 159,-3.4 -2,-0.1 160,-1.2 -0.993 16.2-176.9-126.2 128.4 -6.0 66.0 86.4 5 6 A V E -AB 21 162A 0 16,-1.7 16,-2.6 -2,-0.4 2,-0.3 -0.788 9.2-150.7-118.5 161.3 -2.3 65.5 85.8 6 7 A F E -AB 20 161A 22 155,-2.5 155,-1.3 -2,-0.3 2,-0.4 -0.964 7.2-155.7-135.2 158.8 0.4 68.2 85.3 7 8 A F E -AB 19 160A 1 12,-2.6 12,-2.5 -2,-0.3 2,-0.7 -0.994 8.6-152.5-131.1 133.1 3.6 68.6 83.4 8 9 A D E -AB 18 159A 38 151,-2.9 150,-2.2 -2,-0.4 151,-1.2 -0.961 25.6-149.7-106.1 114.6 6.3 71.0 84.5 9 10 A I E - B 0 157A 4 8,-2.8 7,-3.0 -2,-0.7 8,-0.4 -0.685 14.8-171.0 -89.3 143.4 8.1 71.8 81.2 10 11 A A E -AB 15 156A 4 146,-2.1 146,-2.5 -2,-0.3 2,-0.7 -0.997 15.7-149.1-135.3 136.6 11.8 72.7 81.0 11 12 A V E > S-AB 14 155A 12 3,-3.3 3,-1.2 -2,-0.4 144,-0.2 -0.921 86.4 -30.3-106.5 102.9 13.7 74.0 77.9 12 13 A D T 3 S- 0 0 88 142,-3.0 2,-0.5 -2,-0.7 -1,-0.2 0.887 126.4 -47.9 54.9 43.9 17.3 72.8 78.2 13 14 A G T 3 S+ 0 0 58 141,-0.3 -1,-0.3 1,-0.2 142,-0.0 -0.275 114.6 115.9 95.3 -47.3 17.0 72.9 82.0 14 15 A E E < S-A 11 0A 152 -3,-1.2 -3,-3.3 -2,-0.5 -1,-0.2 -0.424 72.2-123.7 -60.8 110.2 15.5 76.4 82.1 15 16 A P E -A 10 0A 118 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.346 31.2-178.6 -58.7 133.6 12.0 75.8 83.6 16 17 A L E - 0 0 65 -7,-3.0 2,-0.3 1,-0.3 -6,-0.1 0.854 43.9 -66.9 -98.8 -72.1 9.2 77.2 81.3 17 18 A G E - 0 0 20 -8,-0.4 -8,-2.8 120,-0.1 2,-0.4 -0.949 45.3 -81.7-168.8-175.9 5.8 76.6 82.9 18 19 A R E -A 8 0A 101 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.873 27.7-171.1-110.9 139.1 3.1 74.2 84.0 19 20 A V E -A 7 0A 1 -12,-2.5 -12,-2.6 -2,-0.4 2,-0.4 -0.998 7.7-169.0-126.8 124.2 0.6 72.5 81.8 20 21 A S E -AC 6 133A 3 113,-1.4 112,-3.3 -2,-0.4 113,-1.2 -0.888 4.6-157.3-114.6 147.6 -2.2 70.6 83.4 21 22 A F E -AC 5 131A 0 -16,-2.6 -16,-1.7 -2,-0.4 2,-0.6 -0.940 14.6-139.6-125.9 149.9 -4.7 68.3 81.6 22 23 A E E -AC 4 130A 37 108,-2.7 108,-2.0 -2,-0.4 2,-0.5 -0.916 22.7-150.8-104.0 124.5 -8.1 66.9 82.4 23 24 A L E - C 0 129A 0 -20,-2.3 2,-1.5 -2,-0.6 106,-0.2 -0.853 11.8-134.1 -97.4 133.8 -8.3 63.3 81.3 24 25 A F >> + 0 0 29 104,-2.6 4,-2.4 -2,-0.5 3,-1.1 -0.606 40.4 157.8 -87.8 76.8 -11.7 62.1 80.2 25 26 A A T 34 + 0 0 30 -2,-1.5 -1,-0.2 1,-0.2 5,-0.1 0.698 66.6 72.7 -72.3 -15.6 -11.9 58.9 82.1 26 27 A D T 34 S+ 0 0 81 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.702 117.4 14.7 -71.0 -24.0 -15.6 59.1 81.9 27 28 A K T <4 S+ 0 0 102 -3,-1.1 -2,-0.2 101,-0.1 -1,-0.2 0.575 140.9 30.5-123.3 -21.5 -15.6 58.3 78.2 28 29 A V X + 0 0 0 -4,-2.4 4,-2.0 100,-0.2 -2,-0.2 -0.540 69.9 156.7-139.3 67.7 -12.1 56.9 77.6 29 30 A P H > + 0 0 66 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.908 69.9 48.8 -62.3 -51.5 -11.1 55.2 80.9 30 31 A K H > S+ 0 0 86 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.897 117.0 43.3 -61.1 -39.8 -8.4 52.7 79.8 31 32 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.873 114.5 50.2 -73.9 -34.9 -6.6 55.3 77.8 32 33 A A H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.878 110.1 49.9 -70.4 -37.7 -6.9 58.0 80.6 33 34 A E H X S+ 0 0 74 -4,-2.7 4,-3.5 2,-0.2 5,-0.3 0.891 107.3 54.5 -66.9 -41.1 -5.6 55.6 83.3 34 35 A N H X S+ 0 0 1 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.927 113.0 42.3 -58.9 -46.2 -2.6 54.7 81.2 35 36 A F H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.886 116.7 48.3 -67.3 -43.8 -1.6 58.3 80.8 36 37 A R H X S+ 0 0 22 -4,-2.3 4,-1.5 2,-0.2 3,-0.3 0.937 113.2 46.5 -61.3 -51.6 -2.4 59.1 84.5 37 38 A A H X>S+ 0 0 0 -4,-3.5 4,-2.1 1,-0.3 5,-0.8 0.913 114.0 48.7 -58.2 -46.2 -0.5 56.1 85.8 38 39 A L H <5S+ 0 0 1 -4,-2.3 9,-2.0 -5,-0.3 10,-0.4 0.719 108.6 54.8 -67.8 -24.4 2.4 57.0 83.5 39 40 A S H <5S+ 0 0 1 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.775 113.1 40.5 -78.8 -28.7 2.3 60.6 84.7 40 41 A T H <5S- 0 0 48 -4,-1.5 -2,-0.2 -3,-0.4 -3,-0.1 0.739 97.3-138.6 -88.5 -27.3 2.6 59.6 88.4 41 42 A G T ><5 + 0 0 30 -4,-2.1 3,-2.4 -5,-0.2 -3,-0.2 0.608 53.7 145.0 77.2 13.7 5.2 56.9 87.7 42 43 A E T 3 < + 0 0 99 -5,-0.8 -4,-0.1 1,-0.3 4,-0.1 0.622 66.7 56.2 -60.2 -11.7 3.4 54.7 90.2 43 44 A K T 3 S- 0 0 95 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.362 122.4 -98.8-102.2 4.6 4.3 51.7 88.0 44 45 A G S < S+ 0 0 73 -3,-2.4 2,-0.3 1,-0.1 -2,-0.1 0.452 100.3 59.6 95.3 -2.1 8.1 52.2 88.0 45 46 A F + 0 0 70 -4,-0.0 -2,-0.5 32,-0.0 2,-0.3 -0.980 61.4 113.4-153.7 151.9 8.3 53.9 84.6 46 47 A G - 0 0 17 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.981 65.4 -47.0 176.6-157.4 6.8 57.1 83.1 47 48 A Y S > S+ 0 0 0 -9,-2.0 3,-2.3 -2,-0.3 110,-0.4 0.638 78.5 114.5 -84.2 -18.5 7.1 60.6 81.6 48 49 A K T 3 S+ 0 0 126 -10,-0.4 110,-0.2 1,-0.3 -2,-0.2 -0.406 91.4 11.2 -58.4 118.6 9.3 62.3 84.1 49 50 A G T 3 S+ 0 0 50 108,-3.2 -1,-0.3 1,-0.3 2,-0.1 0.355 95.7 125.1 97.5 -8.9 12.4 63.2 82.2 50 51 A S < - 0 0 1 -3,-2.3 107,-2.5 107,-0.2 -1,-0.3 -0.454 52.8-129.4 -81.9 159.4 11.3 62.4 78.7 51 52 A C B -D 156 0A 41 14,-0.4 2,-1.0 105,-0.2 13,-0.6 -0.700 16.8-116.1-107.3 161.9 11.5 65.0 75.9 52 53 A F - 0 0 2 103,-2.2 103,-0.4 -2,-0.3 11,-0.3 -0.889 39.4-176.5 -92.7 99.6 8.9 66.2 73.4 53 54 A H + 0 0 42 -2,-1.0 2,-0.4 9,-0.5 98,-0.3 0.533 62.1 42.9 -81.1 -9.1 10.9 64.9 70.4 54 55 A R E +E 62 0A 39 8,-1.6 8,-3.4 96,-0.1 2,-0.5 -0.929 59.1 168.8-144.3 112.0 8.6 66.2 67.6 55 56 A I E -E 61 0A 0 94,-2.1 91,-2.2 -2,-0.4 94,-0.3 -0.985 6.8-177.8-127.3 116.3 7.2 69.7 67.6 56 57 A I E >> -E 60 0A 27 4,-2.7 3,-1.9 -2,-0.5 4,-1.5 -0.919 31.0-126.8-115.5 103.4 5.5 71.0 64.4 57 58 A P T 34 S+ 0 0 60 0, 0.0 82,-0.0 0, 0.0 92,-0.0 -0.192 93.1 16.5 -52.1 130.5 4.4 74.6 64.9 58 59 A G T 34 S+ 0 0 47 1,-0.1 56,-0.0 81,-0.1 81,-0.0 0.540 128.5 55.4 81.6 8.9 0.7 75.1 64.1 59 60 A F T <4 S- 0 0 19 -3,-1.9 56,-2.1 1,-0.2 57,-0.6 0.473 107.6 -57.1-131.2 -74.3 0.1 71.3 64.2 60 61 A M E < -EF 56 114A 0 -4,-1.5 -4,-2.7 54,-0.3 2,-0.4 -0.986 28.6-118.4-170.3 169.1 1.1 69.7 67.5 61 62 A C E -EF 55 113A 0 52,-1.9 52,-2.6 -2,-0.3 2,-0.4 -0.986 34.1-162.2-117.8 127.9 3.8 68.9 70.1 62 63 A Q E +EF 54 112A 7 -8,-3.4 -8,-1.6 -2,-0.4 -9,-0.5 -0.940 22.7 136.5-122.2 138.0 4.5 65.2 70.5 63 64 A G E + F 0 111A 0 48,-1.8 48,-2.0 -2,-0.4 -11,-0.2 -0.714 20.7 106.1-151.2-165.8 6.2 63.3 73.3 64 65 A G + 0 0 0 -13,-0.6 2,-1.5 46,-0.2 3,-0.1 0.369 40.7 128.9 105.2 -8.0 6.0 60.2 75.5 65 66 A D + 0 0 1 -14,-0.4 -14,-0.4 1,-0.2 4,-0.3 -0.713 20.8 160.8 -83.9 91.6 8.7 58.0 74.1 66 67 A F + 0 0 31 -2,-1.5 -1,-0.2 -16,-0.1 -20,-0.1 0.554 66.7 51.1 -89.2 -5.7 10.4 57.2 77.4 67 68 A T S S+ 0 0 64 -3,-0.1 -1,-0.1 1,-0.0 -2,-0.1 0.922 128.2 8.6 -97.0 -53.3 12.2 54.1 76.1 68 69 A R S S- 0 0 164 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.512 82.4-144.8-105.6 -9.8 14.0 55.1 72.9 69 70 A H S S+ 0 0 98 -4,-0.3 -3,-0.1 1,-0.1 -4,-0.1 0.556 80.3 83.5 57.6 16.3 13.5 58.8 73.1 70 71 A N S S- 0 0 93 -16,-0.0 -1,-0.1 0, 0.0 -4,-0.1 0.276 112.3 -90.7-131.8 12.5 13.2 59.1 69.3 71 72 A G S S+ 0 0 22 -6,-0.1 39,-0.1 260,-0.0 -5,-0.1 0.388 110.5 89.6 94.2 -3.7 9.6 58.2 68.6 72 73 A T S S+ 0 0 89 -7,-0.1 2,-0.1 0, 0.0 -7,-0.0 0.420 82.6 57.5-104.6 0.9 10.2 54.5 68.1 73 74 A G + 0 0 13 2,-0.0 36,-0.3 35,-0.0 37,-0.2 -0.293 49.3 112.0-114.7-161.1 9.7 53.5 71.7 74 75 A G - 0 0 14 34,-0.1 2,-0.3 35,-0.1 -9,-0.1 -0.216 33.8-147.9 109.5 155.3 7.2 53.7 74.6 75 76 A K - 0 0 45 -2,-0.1 5,-0.3 33,-0.1 33,-0.1 -0.963 13.0-130.4-154.2 147.8 5.1 51.1 76.5 76 77 A S B > -I 79 0B 1 3,-2.2 3,-1.0 -2,-0.3 33,-0.1 -0.437 32.4-107.9 -92.7 174.0 1.7 51.3 78.1 77 78 A I T 3 S+ 0 0 36 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.531 122.5 57.1 -78.4 -3.3 0.9 50.1 81.7 78 79 A Y T 3 S- 0 0 98 1,-0.3 2,-0.3 30,-0.1 -1,-0.2 0.379 129.1 -77.5-102.1 -4.1 -0.8 47.2 80.0 79 80 A G B < S-I 76 0B 27 -3,-1.0 -3,-2.2 1,-0.1 -1,-0.3 -0.983 76.8 -39.9 140.5-146.3 2.2 46.1 78.0 80 81 A E S S+ 0 0 118 -2,-0.3 2,-0.3 -5,-0.3 29,-0.1 0.764 121.7 10.2 -89.4 -26.2 3.8 47.5 74.9 81 82 A K - 0 0 116 -3,-0.1 -1,-0.3 -6,-0.1 27,-0.2 -0.847 61.0-171.7-160.0 121.6 0.6 48.3 72.9 82 83 A F B -J 107 0C 8 25,-2.2 25,-2.1 -2,-0.3 3,-0.0 -0.608 32.5 -91.1-108.8 166.4 -3.1 48.4 73.7 83 84 A E - 0 0 74 -2,-0.2 2,-0.8 23,-0.2 -1,-0.1 -0.120 41.5 -93.6 -71.6 167.6 -6.1 48.9 71.5 84 85 A D - 0 0 22 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.775 34.5-157.1 -82.7 108.5 -8.0 52.0 70.4 85 86 A E - 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