==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/IMMUNOSUPPRESSANT 25-JAN-12 4DGC . COMPND 2 MOLECULE: TRIMCYP; . SOURCE 2 ORGANISM_SCIENTIFIC: MACACA MULATTA; . AUTHOR M.E.C.CAINES,K.BICHEL,A.J.PRICE,W.A.MCEWAN,L.C.JAMES . 854 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38516.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 549 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 251 29.4 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 . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 67 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 5 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 17 0 14 11 0 0 5 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 0 0 0 0 4 1 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 0 194 0, 0.0 24,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.8 54.7 -42.3 2.9 2 3 A N - 0 0 33 1,-0.1 22,-0.1 22,-0.0 2,-0.1 -0.427 360.0-125.4 -65.9 128.8 52.0 -41.1 5.4 3 4 A P - 0 0 22 0, 0.0 20,-2.2 0, 0.0 2,-0.4 -0.423 16.3-142.0 -72.6 151.0 49.6 -43.9 6.3 4 5 A T E -A 22 0A 23 159,-0.5 159,-2.0 18,-0.2 2,-0.3 -0.932 19.2-175.1-109.9 139.6 45.8 -43.4 6.0 5 6 A V E -AB 21 162A 0 16,-2.3 16,-2.6 -2,-0.4 2,-0.4 -0.908 8.0-148.8-130.7 160.9 43.3 -44.8 8.5 6 7 A F E -AB 20 161A 21 155,-2.6 155,-1.7 -2,-0.3 2,-0.4 -0.968 7.4-159.7-131.4 146.1 39.6 -45.0 8.8 7 8 A F E -AB 19 160A 1 12,-2.7 12,-2.5 -2,-0.4 2,-0.7 -0.992 12.7-149.6-112.1 132.7 36.8 -45.0 11.4 8 9 A D E -AB 18 159A 8 151,-3.6 150,-1.7 -2,-0.4 151,-1.2 -0.892 26.8-149.4 -95.5 110.4 33.4 -46.3 10.6 9 10 A I E -AB 17 157A 1 8,-2.5 7,-3.3 -2,-0.7 8,-1.0 -0.595 14.5-168.8 -88.5 137.0 31.2 -44.2 12.9 10 11 A A E -AB 15 156A 2 146,-2.5 146,-2.5 -2,-0.3 2,-0.5 -0.926 13.4-150.7-122.4 154.2 27.8 -45.3 14.5 11 12 A V E > S-AB 14 155A 18 3,-2.8 3,-2.3 -2,-0.3 144,-0.2 -0.986 87.1 -19.4-122.5 117.2 25.1 -43.4 16.3 12 13 A D T 3 S- 0 0 92 142,-2.4 -1,-0.1 -2,-0.5 143,-0.1 0.876 132.7 -49.4 44.8 42.2 23.2 -45.6 18.9 13 14 A G T 3 S+ 0 0 65 141,-0.5 -1,-0.3 1,-0.2 142,-0.1 0.300 115.1 119.5 87.2 -8.4 24.5 -48.6 17.0 14 15 A E E < -A 11 0A 89 -3,-2.3 -3,-2.8 1,-0.0 -1,-0.2 -0.838 67.8-121.8 -97.9 119.0 23.5 -47.3 13.5 15 16 A P E +A 10 0A 52 0, 0.0 167,-1.1 0, 0.0 -5,-0.3 -0.312 30.4 177.5 -60.4 124.0 26.3 -46.8 11.0 16 17 A L E - 0 0 22 -7,-3.3 2,-0.3 1,-0.4 -6,-0.2 0.872 50.3 -81.2 -96.3 -48.8 26.4 -43.2 9.8 17 18 A G E -A 9 0A 1 -8,-1.0 -8,-2.5 155,-0.1 -1,-0.4 -0.982 48.9 -58.3 170.3-161.9 29.5 -43.3 7.6 18 19 A R E -A 8 0A 26 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.800 27.1-168.6-114.9 143.0 33.2 -43.3 7.3 19 20 A V E -A 7 0A 0 -12,-2.5 -12,-2.7 -2,-0.3 2,-0.4 -0.991 11.7-163.0-123.1 136.3 36.0 -40.8 8.3 20 21 A S E -AC 6 133A 5 113,-2.9 112,-4.2 -2,-0.4 113,-0.9 -0.945 1.8-160.7-123.5 149.1 39.6 -41.1 7.1 21 22 A F E -AC 5 131A 0 -16,-2.6 -16,-2.3 -2,-0.4 2,-0.5 -0.960 16.3-139.9-127.3 138.5 42.7 -39.5 8.5 22 23 A E E -AC 4 130A 68 108,-2.7 108,-2.0 -2,-0.4 2,-0.5 -0.865 24.9-146.4 -88.0 130.3 46.1 -38.9 7.2 23 24 A L E - C 0 129A 0 -20,-2.2 2,-2.2 -2,-0.5 106,-0.3 -0.898 11.3-132.1-102.4 129.0 48.7 -39.5 9.9 24 25 A F >> + 0 0 36 104,-2.8 4,-2.6 -2,-0.5 3,-2.1 -0.350 45.8 152.3 -85.6 65.0 51.7 -37.3 9.9 25 26 A A T 34 + 0 0 31 -2,-2.2 -1,-0.2 1,-0.3 5,-0.1 0.667 67.4 68.9 -65.6 -21.3 54.4 -40.0 10.3 26 27 A D T 34 S+ 0 0 99 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.542 116.3 24.6 -75.5 -6.0 56.8 -37.7 8.4 27 28 A K T <4 S+ 0 0 83 -3,-2.1 -2,-0.2 101,-0.1 61,-0.2 0.676 140.0 16.7-127.2 -38.0 56.7 -35.5 11.5 28 29 A V X + 0 0 0 -4,-2.6 4,-2.7 100,-0.2 5,-0.3 -0.650 67.1 168.4-136.0 73.2 55.7 -37.5 14.6 29 30 A P H > S+ 0 0 70 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.843 76.3 50.8 -61.5 -35.5 56.3 -41.2 13.5 30 31 A K H > S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.920 114.0 43.2 -68.4 -43.6 55.9 -42.6 17.0 31 32 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 115.7 49.0 -69.2 -43.1 52.6 -40.9 17.7 32 33 A A H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.921 110.3 52.1 -58.0 -45.4 51.3 -41.7 14.2 33 34 A E H X S+ 0 0 67 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.863 106.0 53.4 -64.5 -38.0 52.3 -45.3 14.6 34 35 A N H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.972 112.7 44.8 -59.6 -50.5 50.5 -45.7 18.0 35 36 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.912 112.3 50.9 -63.1 -43.3 47.3 -44.4 16.4 36 37 A R H X S+ 0 0 26 -4,-2.7 4,-2.0 2,-0.2 5,-0.3 0.956 112.1 47.0 -55.9 -50.1 47.7 -46.6 13.3 37 38 A A H X>S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.3 5,-0.7 0.874 111.4 50.2 -67.1 -36.6 48.2 -49.7 15.4 38 39 A L H <5S+ 0 0 1 -4,-2.2 9,-2.1 -5,-0.2 10,-0.5 0.802 110.5 52.5 -70.1 -30.4 45.2 -49.0 17.7 39 40 A S H <5S+ 0 0 1 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.878 113.7 40.3 -69.0 -39.0 43.1 -48.4 14.5 40 41 A T H <5S- 0 0 49 -4,-2.0 -2,-0.2 121,-0.2 -1,-0.2 0.764 98.0-139.8 -80.6 -23.7 44.0 -51.8 12.9 41 42 A G T ><5 + 0 0 30 -4,-1.7 3,-2.1 -5,-0.3 -3,-0.2 0.595 53.2 143.9 74.6 14.0 43.8 -53.5 16.3 42 43 A E T 3 < + 0 0 101 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.643 62.9 58.2 -68.5 -19.7 46.9 -55.6 15.4 43 44 A K T 3 S- 0 0 112 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.505 125.5 -95.9 -83.0 -5.7 48.3 -55.6 19.0 44 45 A G S < S+ 0 0 71 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.409 101.8 51.5 103.9 0.7 45.2 -57.3 20.3 45 46 A F + 0 0 56 -8,-0.1 -2,-0.5 -4,-0.1 2,-0.3 -0.962 59.8 112.7-156.6 165.7 43.5 -54.1 21.5 46 47 A G S S- 0 0 13 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.991 71.0 -34.4 158.1-158.6 42.6 -50.7 20.1 47 48 A Y S > S+ 0 0 0 -9,-2.1 3,-2.4 -2,-0.3 110,-0.3 0.614 81.8 118.4 -75.2 -13.8 39.8 -48.3 19.0 48 49 A K T 3 S+ 0 0 140 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.320 89.3 9.4 -61.2 127.4 37.3 -50.8 17.7 49 50 A G T 3 S+ 0 0 54 108,-3.0 -1,-0.3 1,-0.3 109,-0.1 0.262 101.0 130.7 90.0 -12.1 34.1 -50.5 19.8 50 51 A S < - 0 0 10 -3,-2.4 107,-2.6 107,-0.3 2,-0.3 -0.106 46.5-137.2 -67.3 168.1 35.4 -47.5 21.5 51 52 A C B -D 156 0A 35 14,-0.4 2,-1.0 105,-0.2 13,-0.5 -0.917 17.0-118.2-137.0 155.4 33.3 -44.3 21.8 52 53 A F E +E 63 0A 0 103,-2.9 103,-0.5 -2,-0.3 11,-0.2 -0.810 39.7 172.8 -90.3 100.0 33.4 -40.5 21.5 53 54 A H E + 0 0 76 -2,-1.0 2,-0.4 9,-0.6 98,-0.3 0.613 60.7 42.0 -92.4 -13.1 32.5 -39.7 25.1 54 55 A R E +E 62 0A 21 8,-1.4 8,-2.7 96,-0.1 2,-0.5 -0.920 61.8 168.7-141.8 109.5 33.1 -36.0 25.2 55 56 A I E -E 61 0A 0 94,-2.1 91,-2.1 -2,-0.4 94,-0.3 -0.986 10.1-172.5-127.5 120.6 32.0 -33.8 22.3 56 57 A I E >> -E 60 0A 13 4,-2.5 3,-2.8 -2,-0.5 4,-1.0 -0.912 25.4-130.2-118.4 102.7 31.9 -30.0 22.6 57 58 A P T 34 S+ 0 0 58 0, 0.0 86,-0.0 0, 0.0 82,-0.0 -0.261 96.2 22.6 -50.7 133.6 30.3 -28.2 19.6 58 59 A G T 34 S+ 0 0 47 1,-0.1 89,-0.0 57,-0.1 56,-0.0 0.184 129.3 47.9 90.9 -13.5 32.6 -25.5 18.4 59 60 A F T <4 S- 0 0 1 -3,-2.8 56,-2.8 1,-0.2 57,-0.7 0.684 104.1 -60.9-121.4 -76.7 35.7 -27.1 19.9 60 61 A M E < -EF 56 114A 0 -4,-1.0 -4,-2.5 54,-0.3 2,-0.5 -0.994 27.7-108.1-171.1 164.9 36.3 -30.9 19.3 61 62 A C E -EF 55 113A 0 52,-2.6 52,-2.7 -2,-0.3 2,-0.5 -0.957 34.6-164.6-110.0 124.7 35.3 -34.6 19.6 62 63 A Q E +EF 54 112A 0 -8,-2.7 -8,-1.4 -2,-0.5 -9,-0.6 -0.915 24.8 127.4-112.9 132.2 37.4 -36.7 22.0 63 64 A G E +EF 52 111A 0 48,-2.1 48,-2.0 -2,-0.5 -11,-0.2 -0.729 15.7 112.9-148.7-156.7 37.6 -40.4 22.2 64 65 A G + 0 0 0 -13,-0.5 2,-0.2 1,-0.3 -12,-0.1 0.481 48.2 134.7 99.3 4.0 40.0 -43.4 22.3 65 66 A N + 0 0 63 -14,-0.5 -14,-0.4 9,-0.1 -1,-0.3 -0.533 20.5 158.7 -78.8 148.0 39.3 -44.6 25.8 66 67 A F - 0 0 35 -2,-0.2 8,-0.2 -16,-0.1 2,-0.2 -0.947 44.0 -94.7-161.4 155.0 38.9 -48.3 26.5 67 68 A T + 0 0 149 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.529 47.2 167.2 -77.2 142.9 39.3 -50.5 29.6 68 69 A H B > -I 71 0B 33 3,-0.6 3,-0.6 -2,-0.2 2,-0.1 -0.962 39.7 -89.1-144.7 160.0 42.6 -52.3 30.2 69 70 A H T 3 S+ 0 0 175 -2,-0.3 3,-0.0 1,-0.2 0, 0.0 -0.458 102.1 24.8 -67.9 143.0 44.3 -54.2 33.0 70 71 A N T 3 S- 0 0 162 -2,-0.1 2,-0.3 1,-0.0 -1,-0.2 0.676 121.7 -11.7 78.9 29.1 46.5 -52.1 35.5 71 72 A G B < S-I 68 0B 43 -3,-0.6 -3,-0.6 4,-0.0 2,-0.3 -0.951 71.9 -89.2 147.1-162.3 45.0 -48.6 35.3 72 73 A T S S+ 0 0 139 -2,-0.3 -5,-0.1 -5,-0.1 -3,-0.0 -0.916 76.8 56.1-145.3 160.4 42.7 -46.3 33.4 73 74 A G S S- 0 0 21 -2,-0.3 36,-0.4 -7,-0.2 37,-0.3 0.207 104.3 -69.2 104.9 -12.3 42.4 -43.9 30.5 74 75 A G - 0 0 6 -8,-0.2 2,-0.3 -9,-0.2 -9,-0.1 -0.398 47.8-114.3 109.5 161.5 43.7 -46.1 27.7 75 76 A K - 0 0 64 -2,-0.1 5,-0.2 33,-0.1 2,-0.2 -0.975 17.5-133.5-132.0 153.7 47.2 -47.6 26.9 76 77 A S B > -J 79 0C 3 3,-2.6 3,-0.9 -2,-0.3 33,-0.1 -0.487 33.2-105.0 -93.0 171.7 49.5 -47.0 24.0 77 78 A I T 3 S+ 0 0 36 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.652 122.1 52.8 -72.7 -10.6 51.3 -49.7 22.0 78 79 A Y T 3 S- 0 0 91 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.502 126.3 -72.7 -98.5 -8.0 54.5 -48.8 23.8 79 80 A G B < S-J 76 0C 33 -3,-0.9 -3,-2.6 1,-0.1 -1,-0.4 -0.919 74.1 -40.1 143.5-169.8 53.0 -49.0 27.4 80 81 A E S S+ 0 0 138 -2,-0.3 2,-0.3 -5,-0.2 -1,-0.1 0.845 122.9 0.4 -60.5 -35.6 50.7 -47.2 29.7 81 82 A K - 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