==== 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 3K0P . COMPND 2 MOLECULE: CYCLOPHILIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.FRASER,T.ALBER . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 64.2 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 . 46 28.4 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 . 1 0.6 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 . 15 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.3 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 . 2 0 3 2 0 1 0 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 0 188 0, 0.0 24,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -55.6 37.9 -9.1 -4.0 2 3 A N - 0 0 26 1,-0.1 22,-0.1 22,-0.0 2,-0.0 -0.428 360.0-109.1 -65.5 146.0 34.5 -10.8 -3.6 3 4 A P - 0 0 33 0, 0.0 20,-2.6 0, 0.0 2,-0.4 -0.323 25.6-143.8 -73.2 157.9 31.8 -8.5 -2.0 4 5 A T E +A 22 0A 48 18,-0.2 2,-0.3 -2,-0.0 18,-0.2 -0.970 17.8 179.6-122.9 137.1 30.5 -8.9 1.5 5 6 A V E -A 21 0A 1 16,-2.0 16,-2.8 -2,-0.4 2,-0.3 -0.844 10.4-150.3-128.6 166.9 27.0 -8.3 2.6 6 7 A F E -AB 20 161A 31 155,-2.5 155,-1.6 -2,-0.3 2,-0.4 -0.969 9.5-153.9-137.3 156.6 25.3 -8.6 6.0 7 8 A F E -AB 19 160A 0 12,-2.6 12,-2.8 -2,-0.3 2,-0.6 -1.000 13.2-146.8-119.6 131.1 22.0 -9.3 7.7 8 9 A D E -AB 18 159A 41 151,-2.7 150,-2.0 -2,-0.4 151,-0.9 -0.876 28.1-150.9 -86.7 121.2 21.0 -8.0 11.2 9 10 A I E -AB 17 157A 4 8,-2.8 7,-2.9 -2,-0.6 8,-1.1 -0.744 15.1-172.5 -99.5 139.8 18.9 -10.9 12.5 10 11 A A E -AB 15 156A 5 146,-2.4 146,-2.3 -2,-0.3 2,-0.5 -0.948 16.2-148.3-128.8 157.1 16.0 -10.4 15.0 11 12 A V E > S-AB 14 155A 15 3,-2.6 3,-2.1 -2,-0.3 144,-0.2 -0.975 88.3 -20.6-127.3 114.1 13.9 -12.9 16.9 12 13 A D T 3 S- 0 0 90 142,-2.8 -1,-0.2 -2,-0.5 143,-0.1 0.886 131.1 -52.4 46.0 40.9 10.3 -11.6 17.5 13 14 A G T 3 S+ 0 0 55 141,-0.4 -1,-0.3 1,-0.2 142,-0.1 0.412 113.4 119.9 84.5 -1.9 11.9 -8.2 17.0 14 15 A E E < S-A 11 0A 136 -3,-2.1 -3,-2.6 1,-0.0 -1,-0.2 -0.840 71.2-106.9-100.1 130.5 14.8 -8.5 19.5 15 16 A P E +A 10 0A 113 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.324 35.4 175.8 -64.2 134.1 18.3 -8.3 18.0 16 17 A L E - 0 0 62 -7,-2.9 2,-0.2 1,-0.4 -6,-0.2 0.624 52.4 -94.7-103.6 -24.6 20.2 -11.5 17.8 17 18 A G E -A 9 0A 30 -8,-1.1 -8,-2.8 2,-0.0 2,-0.4 -0.772 44.1 -59.1 133.4 179.8 23.3 -10.1 16.0 18 19 A R E -A 8 0A 128 -2,-0.2 2,-0.5 -10,-0.2 -10,-0.2 -0.867 33.3-164.6-107.6 129.5 24.8 -9.6 12.6 19 20 A V E -A 7 0A 1 -12,-2.8 -12,-2.6 -2,-0.4 2,-0.3 -0.937 11.9-164.3-106.1 131.5 25.6 -12.4 10.1 20 21 A S E -AC 6 133A 7 113,-2.5 112,-3.1 -2,-0.5 113,-0.7 -0.883 2.5-161.0-116.2 155.4 28.0 -11.4 7.2 21 22 A F E -AC 5 131A 0 -16,-2.8 -16,-2.0 -2,-0.3 2,-0.5 -0.989 17.4-137.1-136.5 142.0 28.5 -13.4 4.0 22 23 A E E -AC 4 130A 50 108,-2.5 108,-2.1 -2,-0.4 2,-0.5 -0.840 24.3-148.0 -89.1 133.0 31.1 -13.5 1.2 23 24 A L E - C 0 129A 0 -20,-2.6 2,-2.4 -2,-0.5 106,-0.3 -0.912 12.4-132.6-106.0 131.6 29.4 -13.7 -2.2 24 25 A F >> + 0 0 24 104,-2.9 4,-2.6 -2,-0.5 3,-2.0 -0.358 44.8 154.6 -86.7 64.3 31.3 -15.7 -4.8 25 26 A A T 34 + 0 0 34 -2,-2.4 -1,-0.2 1,-0.3 8,-0.1 0.729 66.7 67.6 -62.4 -22.3 31.1 -13.1 -7.6 26 27 A D T 34 S+ 0 0 99 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.623 116.9 21.3 -74.1 -11.3 34.3 -14.6 -9.1 27 28 A K T <4 S+ 0 0 93 -3,-2.0 -2,-0.2 101,-0.1 -1,-0.1 0.670 138.1 24.4-125.2 -31.6 32.5 -17.8 -9.9 28 29 A V X + 0 0 0 -4,-2.6 4,-2.9 100,-0.1 5,-0.2 -0.636 67.5 164.5-134.7 69.1 28.7 -17.1 -10.0 29 30 A P H > S+ 0 0 71 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.867 73.9 48.2 -61.0 -39.4 28.5 -13.4 -10.8 30 31 A K H > S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.918 115.9 44.0 -68.6 -42.4 24.8 -13.3 -11.9 31 32 A T H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.914 115.3 48.7 -70.1 -41.9 23.7 -15.2 -8.8 32 33 A A H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.900 110.1 52.0 -59.8 -43.4 25.9 -13.2 -6.5 33 34 A E H X S+ 0 0 64 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.899 105.9 54.3 -64.1 -41.7 24.7 -9.9 -8.0 34 35 A N H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.953 114.6 39.8 -54.6 -53.2 21.0 -10.9 -7.4 35 36 A F H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.924 115.2 52.9 -65.4 -41.6 21.6 -11.6 -3.7 36 37 A R H X S+ 0 0 31 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.947 112.2 44.1 -57.3 -50.6 23.9 -8.6 -3.3 37 38 A A H X>S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.6 0.852 111.8 52.3 -68.3 -37.4 21.4 -6.2 -4.8 38 39 A L H <5S+ 0 0 0 -4,-2.2 9,-2.1 -5,-0.3 10,-0.5 0.814 110.2 51.4 -65.4 -27.1 18.4 -7.7 -2.8 39 40 A S H <5S+ 0 0 1 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.865 113.8 41.4 -78.6 -36.1 20.6 -7.2 0.3 40 41 A T H <5S- 0 0 47 -4,-2.0 -2,-0.2 121,-0.2 -1,-0.2 0.900 98.2-135.5 -76.1 -35.5 21.3 -3.5 -0.4 41 42 A G T ><5 + 0 0 31 -4,-2.3 3,-2.3 4,-0.2 -3,-0.1 0.490 56.9 141.8 89.7 8.7 17.8 -2.7 -1.6 42 43 A E T 3 < + 0 0 98 -5,-0.6 -4,-0.1 1,-0.3 4,-0.1 0.672 65.5 54.8 -64.0 -21.3 19.3 -0.7 -4.5 43 44 A K T 3 S- 0 0 102 -6,-0.5 -1,-0.3 2,-0.5 3,-0.1 0.458 123.9-100.3 -87.8 -2.3 16.6 -1.9 -7.0 44 45 A G S < S+ 0 0 70 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.473 98.7 52.9 100.1 0.4 13.9 -0.6 -4.7 45 46 A F + 0 0 65 -8,-0.2 -2,-0.5 -4,-0.0 2,-0.3 -0.946 62.3 106.8-152.6 167.8 12.9 -3.9 -3.1 46 47 A G - 0 0 13 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.993 69.9 -28.5 152.0-153.9 14.7 -6.8 -1.4 47 48 A Y S > S+ 0 0 0 -9,-2.1 3,-2.5 -2,-0.3 110,-0.3 0.644 80.8 113.9 -80.1 -21.3 15.4 -8.6 1.8 48 49 A K T 3 S+ 0 0 135 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.313 90.3 12.6 -56.6 129.8 15.1 -6.0 4.5 49 50 A G T 3 S+ 0 0 48 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.248 101.0 121.9 89.5 -11.7 12.1 -6.8 6.7 50 51 A S < - 0 0 1 -3,-2.5 107,-2.9 107,-0.2 -1,-0.3 -0.184 49.9-135.0 -80.6 176.2 11.7 -10.4 5.3 51 52 A C B -D 156 0A 9 14,-0.3 2,-0.9 105,-0.2 13,-0.5 -0.765 19.2-111.3-129.8 166.7 11.9 -13.6 7.4 52 53 A F + 0 0 1 103,-2.6 103,-0.4 -2,-0.3 11,-0.2 -0.896 39.0 179.3 -94.5 103.6 13.3 -17.0 7.5 53 54 A H + 0 0 27 -2,-0.9 2,-0.4 9,-0.6 98,-0.3 0.610 62.9 38.9 -90.3 -10.4 10.0 -18.9 7.0 54 55 A R E +E 62 0A 101 8,-1.2 8,-3.2 96,-0.1 2,-0.4 -0.959 60.7 174.6-141.4 123.1 11.4 -22.4 7.0 55 56 A I E -E 61 0A 0 94,-2.1 91,-1.5 -2,-0.4 94,-0.3 -0.978 5.6-174.4-132.3 115.0 14.1 -23.7 9.3 56 57 A I E >> -E 60 0A 36 4,-2.5 3,-2.1 -2,-0.4 4,-1.5 -0.919 24.6-129.0-116.4 109.9 15.1 -27.4 9.3 57 58 A P T 34 S+ 0 0 63 0, 0.0 59,-0.1 0, 0.0 86,-0.0 -0.249 95.5 21.6 -57.8 139.7 17.6 -28.5 11.9 58 59 A G T 34 S+ 0 0 45 1,-0.1 58,-0.0 57,-0.1 56,-0.0 0.407 130.9 46.6 84.3 -2.3 20.5 -30.6 10.3 59 60 A F T <4 S- 0 0 45 -3,-2.1 56,-2.3 1,-0.2 57,-0.6 0.535 103.2 -51.7-134.2 -73.6 19.7 -29.0 6.9 60 61 A M E < -EF 56 114A 5 -4,-1.5 -4,-2.5 54,-0.3 2,-0.5 -0.987 26.4-113.7-164.8 166.2 19.2 -25.2 6.5 61 62 A C E -EF 55 113A 0 52,-2.0 52,-2.9 -2,-0.3 2,-0.5 -0.997 38.6-154.2-108.8 127.6 17.6 -21.9 7.3 62 63 A Q E +EF 54 112A 22 -8,-3.2 -8,-1.2 -2,-0.5 -9,-0.6 -0.884 27.3 142.3-109.9 130.5 15.5 -20.8 4.3 63 64 A G E + F 0 111A 0 48,-2.2 48,-2.1 -2,-0.5 -11,-0.2 -0.700 23.9 94.1-140.8-169.2 14.8 -17.1 3.5 64 65 A G + 0 0 0 -13,-0.5 2,-1.7 46,-0.2 11,-0.3 0.370 45.9 124.8 100.2 -4.4 14.4 -14.6 0.7 65 66 A D > + 0 0 2 -14,-0.4 4,-1.1 1,-0.2 -14,-0.3 -0.627 24.5 158.5 -85.0 81.4 10.6 -14.7 0.1 66 67 A F T 4 + 0 0 23 -2,-1.7 -1,-0.2 1,-0.2 -20,-0.2 0.404 66.4 52.2 -88.2 6.3 10.2 -10.9 0.5 67 68 A T T 4 S+ 0 0 58 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.767 128.6 9.8-107.4 -37.3 6.9 -10.8 -1.4 68 69 A R T 4 S- 0 0 166 0, 0.0 -2,-0.1 0, 0.0 4,-0.1 0.495 83.4-142.2-123.0 -10.3 4.7 -13.5 0.3 69 70 A H S < S+ 0 0 92 -4,-1.1 -3,-0.1 1,-0.1 -5,-0.0 0.721 83.3 75.1 62.2 23.4 6.9 -14.3 3.3 70 71 A N S S- 0 0 84 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.412 111.8 -90.2-149.0 5.1 6.0 -18.0 3.1 71 72 A G S S+ 0 0 26 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.1 0.174 107.2 90.4 105.0 -18.1 7.9 -19.6 0.3 72 73 A T S S+ 0 0 105 -7,-0.1 2,-0.0 -4,-0.1 -3,-0.0 0.606 88.8 43.7 -84.2 -10.0 5.4 -19.1 -2.5 73 74 A G + 0 0 10 -8,-0.0 36,-0.3 2,-0.0 37,-0.2 0.064 53.9 120.5-112.9-144.7 6.9 -15.7 -3.5 74 75 A G - 0 0 12 34,-0.1 2,-0.3 35,-0.1 -9,-0.1 0.048 33.6-152.2 93.8 148.3 10.2 -14.1 -4.2 75 76 A K - 0 0 99 -11,-0.3 33,-0.1 33,-0.1 -9,-0.1 -0.965 11.6-125.8-154.2 147.1 11.5 -12.5 -7.3 76 77 A S > - 0 0 5 -2,-0.3 3,-0.6 31,-0.2 33,-0.1 -0.303 30.0-111.2 -80.0 177.8 14.9 -11.9 -8.8 77 78 A I T 3 S+ 0 0 30 31,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.449 108.3 74.1 -84.6 -0.4 16.3 -8.5 -9.9 78 79 A Y T 3 S- 0 0 85 2,-0.4 -1,-0.2 30,-0.1 3,-0.1 0.442 106.2-113.9 -98.9 -1.2 16.1 -9.8 -13.6 79 80 A G S < S+ 0 0 75 -3,-0.6 2,-0.3 1,-0.1 -2,-0.1 0.440 92.7 43.3 87.3 -0.0 12.3 -9.6 -14.1 80 81 A E S S- 0 0 155 27,-0.1 -2,-0.4 28,-0.1 2,-0.1 -0.957 101.9 -78.2-164.4 159.5 11.9 -13.4 -14.4 81 82 A K - 0 0 116 -2,-0.3 2,-0.2 -3,-0.1 27,-0.2 -0.468 58.5-136.8 -65.8 143.8 13.2 -16.5 -12.7 82 83 A F B -I 107 0B 6 25,-2.4 25,-2.0 -2,-0.1 3,-0.1 -0.681 11.6 -93.4-115.8 163.2 16.7 -17.1 -13.9 83 84 A E - 0 0 82 -2,-0.2 2,-0.5 23,-0.2 -1,-0.1 -0.212 46.5 -92.9 -67.4 155.9 18.9 -20.1 -15.1 84 85 A D - 0 0 25 1,-0.2 -1,-0.1 -53,-0.0 3,-0.1 -0.595 38.5-154.0 -62.5 118.1 21.2 -22.1 -12.9 85 86 A E - 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