==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-JUN-00 1E3B . COMPND 2 MOLECULE: CYCLOPHILIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR J.ZOU,P.TAYLOR,J.DORNAN,S.P.ROBINSON,M.D.WALKINSHAW, . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 63.4 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 . 50 29.1 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 1.7 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 . 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 . 13 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 11.6 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+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 3 2 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 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 1 A M 0 0 136 0, 0.0 26,-0.6 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 160.3 69.3 31.4 5.3 2 2 A S - 0 0 111 24,-0.1 2,-0.5 1,-0.1 24,-0.1 -0.204 360.0-108.1 -55.3 147.3 69.6 33.3 8.6 3 3 A R - 0 0 76 23,-0.1 22,-0.1 22,-0.1 -1,-0.1 -0.674 26.6-135.2 -92.0 123.9 67.1 32.1 11.2 4 4 A S - 0 0 15 -2,-0.5 20,-2.4 20,-0.2 2,-0.4 -0.358 10.8-147.5 -67.2 150.5 64.2 34.2 12.2 5 5 A K E +AB 23 171A 77 166,-0.6 166,-3.2 18,-0.2 2,-0.3 -0.994 22.6 172.0-119.6 129.0 63.2 34.7 15.8 6 6 A V E -AB 22 170A 0 16,-2.6 16,-3.4 -2,-0.4 2,-0.3 -0.847 11.1-155.6-129.8 167.4 59.5 35.2 16.6 7 7 A F E -AB 21 169A 20 162,-2.2 162,-1.5 -2,-0.3 2,-0.4 -0.972 12.5-153.7-142.0 159.9 57.4 35.3 19.8 8 8 A F E -AB 20 168A 0 12,-2.3 12,-2.6 -2,-0.3 2,-0.5 -0.999 12.6-150.6-125.8 132.6 54.0 34.9 21.4 9 9 A D E -AB 19 167A 39 158,-2.9 157,-1.8 -2,-0.4 158,-1.4 -0.920 29.1-150.5 -96.9 125.0 52.9 36.7 24.5 10 10 A I E -AB 18 165A 4 8,-2.7 7,-3.3 -2,-0.5 8,-0.6 -0.798 18.9-167.6-106.0 141.4 50.4 34.3 26.1 11 11 A T E -AB 16 164A 19 153,-2.2 153,-2.3 -2,-0.4 2,-0.5 -0.946 6.8-159.2-116.7 146.4 47.4 34.9 28.3 12 12 A I E > S-AB 15 163A 20 3,-2.4 3,-1.8 -2,-0.4 151,-0.2 -0.987 83.7 -16.4-126.5 116.5 45.7 32.1 30.2 13 13 A G T 3 S- 0 0 51 149,-2.7 -1,-0.1 -2,-0.5 150,-0.1 0.820 131.5 -54.1 54.3 35.2 42.1 32.9 31.2 14 14 A G T 3 S+ 0 0 63 148,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.256 112.0 123.8 89.2 -11.0 43.0 36.6 30.5 15 15 A K E < S-A 12 0A 148 -3,-1.8 -3,-2.4 1,-0.1 -1,-0.2 -0.728 70.7-112.2 -90.2 125.2 46.1 36.6 32.8 16 16 A A E +A 11 0A 79 -2,-0.5 -5,-0.3 -5,-0.2 -1,-0.1 -0.290 39.8 174.7 -52.8 123.6 49.4 37.5 31.4 17 17 A S E - 0 0 37 -7,-3.3 -6,-0.2 1,-0.4 -1,-0.1 0.374 40.9 -92.1-123.3 9.2 51.5 34.3 31.5 18 18 A G E -A 10 0A 39 -8,-0.6 -8,-2.7 2,-0.0 2,-0.4 -0.452 43.7 -62.6 113.0 175.2 54.8 35.0 29.7 19 19 A R E -A 9 0A 101 -10,-0.2 2,-0.5 -2,-0.1 -10,-0.2 -0.875 25.9-155.6-113.3 134.8 56.6 34.9 26.4 20 20 A I E -A 8 0A 0 -12,-2.6 -12,-2.3 -2,-0.4 2,-0.4 -0.943 15.7-161.2-102.9 121.0 57.4 32.0 24.1 21 21 A V E -AC 7 141A 2 120,-2.2 119,-3.2 -2,-0.5 120,-1.7 -0.894 8.7-166.7-107.2 132.7 60.3 32.7 21.8 22 22 A M E -AC 6 139A 0 -16,-3.4 -16,-2.6 -2,-0.4 2,-0.5 -0.954 16.6-148.7-126.5 141.9 60.8 30.6 18.8 23 23 A E E -AC 5 138A 38 115,-2.5 115,-2.1 -2,-0.4 2,-0.3 -0.928 20.7-150.1-101.7 127.0 63.6 30.0 16.3 24 24 A L E - C 0 137A 0 -20,-2.4 2,-1.4 -2,-0.5 113,-0.3 -0.763 16.6-126.2-101.0 148.8 62.5 29.1 12.8 25 25 A Y >> + 0 0 21 111,-2.8 4,-3.0 -2,-0.3 3,-1.6 -0.518 44.2 156.8 -94.1 65.5 64.5 27.0 10.4 26 26 A D T 34 S+ 0 0 10 -2,-1.4 -1,-0.2 1,-0.3 -24,-0.1 0.811 73.8 56.3 -59.0 -33.1 64.5 29.4 7.4 27 27 A D T 34 S+ 0 0 74 -26,-0.6 -1,-0.3 -3,-0.3 -2,-0.1 0.652 117.0 33.6 -71.5 -19.5 67.6 27.7 6.2 28 28 A V T <4 S+ 0 0 21 -3,-1.6 -2,-0.2 1,-0.2 -1,-0.1 0.777 136.7 13.8-104.9 -41.0 65.9 24.3 6.1 29 29 A V X + 0 0 0 -4,-3.0 4,-2.9 107,-0.1 5,-0.3 -0.632 68.3 168.5-137.7 75.0 62.3 25.0 5.2 30 30 A P H > S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.851 77.1 49.1 -65.2 -36.3 62.2 28.6 3.9 31 31 A K H > S+ 0 0 90 2,-0.2 4,-1.5 3,-0.2 5,-0.1 0.902 116.6 42.5 -70.0 -39.4 58.6 28.5 2.5 32 32 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.920 117.8 44.9 -72.2 -48.2 57.2 26.9 5.7 33 33 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 -8,-0.2 5,-0.2 0.911 111.5 54.0 -59.7 -43.1 59.2 29.2 8.0 34 34 A G H X S+ 0 0 15 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.884 106.7 52.7 -64.2 -35.9 58.4 32.3 5.9 35 35 A N H X S+ 0 0 1 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.973 112.8 42.9 -62.5 -52.5 54.6 31.4 6.2 36 36 A F H X S+ 0 0 2 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.916 112.0 54.2 -61.2 -41.5 54.8 31.2 10.0 37 37 A R H X S+ 0 0 50 -4,-2.8 4,-1.9 1,-0.2 3,-0.4 0.950 109.5 47.2 -57.7 -48.4 57.0 34.3 10.3 38 38 A A H X>S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.3 5,-0.6 0.817 108.6 55.1 -66.3 -29.0 54.5 36.5 8.3 39 39 A L H <5S+ 0 0 0 -4,-1.6 16,-2.5 1,-0.2 17,-0.4 0.773 106.9 52.3 -76.4 -23.3 51.6 35.1 10.4 40 40 A C H <5S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.876 117.4 36.2 -73.9 -36.4 53.5 36.3 13.5 41 41 A T H <5S- 0 0 44 -4,-1.9 -2,-0.2 128,-0.2 -3,-0.2 0.728 94.7-139.1 -88.5 -20.7 53.9 39.8 12.1 42 42 A G T ><5 + 0 0 17 -4,-2.2 3,-1.9 11,-0.3 11,-0.2 0.557 53.9 144.2 76.6 8.4 50.5 40.0 10.3 43 43 A E T 3 < + 0 0 105 -5,-0.6 -4,-0.1 1,-0.3 11,-0.1 0.626 58.1 61.8 -62.2 -17.4 52.4 41.7 7.4 44 44 A N T 3 S- 0 0 84 -6,-0.5 -1,-0.3 9,-0.4 10,-0.1 0.260 91.7-155.6 -98.5 17.7 50.3 40.1 4.7 45 45 A G < + 0 0 36 -3,-1.9 8,-3.6 8,-0.2 2,-0.4 -0.196 51.7 9.6 66.9-141.5 47.1 41.7 5.9 46 46 A I B S-I 52 0B 109 6,-0.3 2,-0.1 1,-0.1 5,-0.0 -0.667 73.0-147.7 -85.7 129.4 43.7 40.3 5.2 47 47 A G > - 0 0 8 4,-2.6 3,-2.9 -2,-0.4 38,-0.1 -0.242 37.4 -83.7 -91.3-176.7 43.6 36.8 3.7 48 48 A K T 3 S+ 0 0 184 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.801 127.0 64.1 -56.4 -29.9 41.2 35.2 1.2 49 49 A S T 3 S- 0 0 48 2,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.575 112.9-118.0 -65.3 -17.2 39.0 34.4 4.3 50 50 A G S < S+ 0 0 49 -3,-2.9 -2,-0.1 1,-0.4 -1,-0.1 0.371 83.9 104.4 88.5 -5.4 38.4 38.0 5.0 51 51 A K S S- 0 0 96 1,-0.1 -4,-2.6 -6,-0.0 -1,-0.4 -0.759 84.7 -84.1-104.7 159.0 40.2 37.7 8.3 52 52 A P B -I 46 0B 56 0, 0.0 2,-1.9 0, 0.0 -6,-0.3 -0.323 30.1-128.0 -60.3 137.1 43.7 38.9 9.2 53 53 A L S S+ 0 0 7 -8,-3.6 -9,-0.4 -11,-0.2 2,-0.3 -0.574 75.0 112.1 -77.5 77.1 46.5 36.6 8.3 54 54 A H - 0 0 43 -2,-1.9 -14,-0.2 2,-0.1 -15,-0.1 -0.974 67.2-145.3-159.5 129.5 47.8 36.9 11.9 55 55 A F > + 0 0 0 -16,-2.5 3,-2.4 -2,-0.3 110,-0.3 0.646 66.8 115.9 -72.4 -15.0 48.1 34.8 15.0 56 56 A K T 3 S+ 0 0 108 -17,-0.4 110,-0.2 1,-0.3 3,-0.1 -0.282 83.5 13.2 -62.1 128.8 47.4 37.7 17.3 57 57 A G T 3 S+ 0 0 46 108,-3.5 -1,-0.3 1,-0.3 109,-0.1 0.359 101.6 119.4 91.2 -10.9 44.2 37.2 19.2 58 58 A S < - 0 0 9 -3,-2.4 107,-2.9 107,-0.4 -1,-0.3 -0.368 51.6-136.6 -88.8 170.2 44.0 33.5 18.3 59 59 A K B -D 164 0A 59 14,-0.3 2,-1.2 105,-0.2 14,-0.4 -0.773 23.3-107.1-122.4 163.3 44.0 30.6 20.8 60 60 A F + 0 0 1 103,-2.8 103,-0.3 -2,-0.3 11,-0.3 -0.793 44.1 177.4 -83.7 97.3 45.4 27.2 21.4 61 61 A H + 0 0 14 -2,-1.2 2,-0.4 9,-0.5 -1,-0.2 0.671 64.1 43.8 -82.1 -16.6 42.1 25.4 20.6 62 62 A R E +E 70 0A 98 8,-1.5 8,-3.2 -3,-0.1 2,-0.4 -0.956 64.7 166.4-134.5 118.2 43.5 21.9 21.1 63 63 A I E -E 69 0A 0 94,-2.1 91,-1.9 -2,-0.4 94,-0.4 -0.983 9.0-175.6-137.4 117.7 45.8 21.0 23.9 64 64 A I E >> -E 68 0A 26 4,-2.6 3,-1.6 -2,-0.4 4,-1.2 -0.964 28.5-119.9-122.2 121.5 46.6 17.4 24.9 65 65 A P T 34 S+ 0 0 41 0, 0.0 86,-0.1 0, 0.0 3,-0.0 -0.269 96.5 12.1 -61.2 144.7 48.7 16.7 28.0 66 66 A N T 34 S+ 0 0 119 1,-0.2 56,-0.0 57,-0.1 58,-0.0 0.710 128.9 59.2 60.7 24.4 51.9 14.8 27.4 67 67 A F T <4 S- 0 0 45 -3,-1.6 56,-2.8 1,-0.1 57,-0.8 0.307 101.3 -61.3-136.4 -80.4 51.5 15.4 23.6 68 68 A M E < -EF 64 122A 3 -4,-1.2 -4,-2.6 54,-0.3 2,-0.4 -0.992 28.0-113.5-168.2 165.3 51.3 19.0 22.3 69 69 A I E -EF 63 121A 0 52,-2.6 52,-2.8 -2,-0.3 2,-0.4 -0.976 34.2-162.5-112.5 131.4 49.6 22.3 22.2 70 70 A Q E +EF 62 120A 18 -8,-3.2 -8,-1.5 -2,-0.4 -9,-0.5 -0.913 21.6 138.9-121.9 141.2 48.0 23.3 18.8 71 71 A G E + F 0 119A 0 48,-2.5 48,-2.0 -2,-0.4 -11,-0.2 -0.709 22.2 109.5-151.8-160.6 46.8 26.6 17.5 72 72 A G + 0 0 0 -13,-0.4 2,-1.3 46,-0.3 11,-0.4 0.454 45.2 126.2 95.6 0.8 46.8 28.7 14.3 73 73 A D > + 0 0 5 -14,-0.4 4,-0.8 1,-0.2 -14,-0.3 -0.642 19.0 152.9 -93.6 81.6 43.1 28.6 13.5 74 74 A F T 4 + 0 0 22 -2,-1.3 -1,-0.2 1,-0.2 -20,-0.0 0.353 68.5 52.0 -89.8 8.2 42.3 32.3 13.3 75 75 A T T 4 S+ 0 0 21 -3,-0.1 -1,-0.2 -24,-0.1 -2,-0.1 0.753 131.8 5.3-110.7 -31.2 39.4 31.8 10.9 76 76 A R T 4 S- 0 0 139 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.562 80.2-146.4-124.8 -17.2 37.3 29.3 12.7 77 77 A G S < S+ 0 0 27 -4,-0.8 -3,-0.1 1,-0.1 -4,-0.1 0.664 79.6 81.7 63.7 17.6 39.1 28.9 16.0 78 78 A N S S- 0 0 87 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.369 111.2 -90.2-135.1 7.7 38.2 25.2 16.2 79 79 A G S S+ 0 0 28 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.301 110.0 86.7 101.4 -13.3 40.6 23.3 14.1 80 80 A T S S+ 0 0 108 -7,-0.1 2,-0.1 -4,-0.0 -7,-0.0 0.584 88.1 45.0 -95.2 -7.8 38.6 23.4 10.9 81 81 A G + 0 0 8 -8,-0.0 36,-0.3 2,-0.0 37,-0.2 -0.057 52.0 119.6-114.5-146.9 40.0 26.8 9.6 82 82 A G - 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