==== 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/VIRAL PROTEIN 25-JAN-12 4DGB . 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 . 169 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 66.3 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 . 51 30.2 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 . 3 1.8 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 1.2 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 . 12 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 11.2 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+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 . 4 0 3 2 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 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 0 189 0, 0.0 24,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.2 6.6 -18.0 -2.4 2 3 A N - 0 0 37 1,-0.1 22,-0.1 20,-0.0 2,-0.0 -0.315 360.0-114.0 -63.9 139.2 7.5 -14.9 -0.4 3 4 A P - 0 0 23 0, 0.0 20,-2.7 0, 0.0 2,-0.4 -0.333 21.5-146.7 -70.9 155.0 5.4 -11.8 -1.3 4 5 A T E -A 22 0A 19 159,-0.5 159,-2.5 18,-0.2 2,-0.3 -0.985 16.0-176.3-119.4 133.2 6.9 -8.7 -2.9 5 6 A V E -AB 21 162A 0 16,-1.9 16,-2.9 -2,-0.4 2,-0.3 -0.860 8.4-150.8-124.6 159.7 5.6 -5.2 -2.2 6 7 A F E -AB 20 161A 19 155,-2.5 155,-1.8 -2,-0.3 2,-0.4 -0.958 7.2-159.1-130.7 151.1 6.6 -1.8 -3.6 7 8 A F E -AB 19 160A 0 12,-2.7 12,-2.7 -2,-0.3 2,-0.7 -0.998 11.4-150.2-119.0 131.1 6.7 1.8 -2.4 8 9 A D E -AB 18 159A 37 151,-3.2 150,-2.0 -2,-0.4 151,-1.3 -0.927 26.2-152.1 -94.8 116.0 6.8 4.6 -4.9 9 10 A I E -AB 17 157A 4 8,-3.1 7,-3.1 -2,-0.7 8,-1.3 -0.743 13.8-171.2 -96.7 141.0 8.7 7.4 -3.0 10 11 A A E -AB 15 156A 3 146,-2.4 146,-2.4 -2,-0.3 2,-0.5 -0.922 18.0-145.6-130.0 153.7 8.3 11.1 -3.5 11 12 A V E > S-AB 14 155A 15 3,-2.5 3,-2.3 -2,-0.3 144,-0.2 -0.977 91.8 -22.8-122.6 109.7 10.2 14.2 -2.2 12 13 A D T 3 S- 0 0 101 142,-2.8 -1,-0.1 -2,-0.5 143,-0.1 0.872 129.6 -53.2 46.3 41.1 7.8 17.1 -1.7 13 14 A G T 3 S+ 0 0 57 141,-0.4 -1,-0.3 1,-0.3 142,-0.1 0.228 111.5 124.1 84.8 -15.3 5.6 15.2 -4.2 14 15 A E E < S-A 11 0A 143 -3,-2.3 -3,-2.5 1,-0.1 -1,-0.3 -0.685 70.8-112.0 -79.0 124.6 8.3 14.9 -6.9 15 16 A P E +A 10 0A 100 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.347 38.4 174.3 -64.3 132.1 8.7 11.2 -7.7 16 17 A L E - 0 0 57 -7,-3.1 2,-0.3 1,-0.3 -6,-0.2 0.829 48.7 -92.2 -97.2 -60.0 12.0 9.8 -6.7 17 18 A G E -A 9 0A 23 -8,-1.3 -8,-3.1 120,-0.1 2,-0.4 -0.970 40.1 -57.2 165.6-172.2 11.5 6.1 -7.5 18 19 A R E -A 8 0A 115 -2,-0.3 2,-0.5 -10,-0.2 119,-0.2 -0.742 28.9-168.8-101.9 136.3 10.4 2.7 -6.6 19 20 A V E -A 7 0A 2 -12,-2.7 -12,-2.7 -2,-0.4 2,-0.3 -0.991 12.0-164.5-117.1 127.9 11.7 0.5 -3.7 20 21 A S E -AC 6 133A 5 113,-2.6 112,-3.2 -2,-0.5 113,-0.5 -0.855 3.3-161.3-111.1 151.1 10.6 -3.1 -3.7 21 22 A F E -AC 5 131A 0 -16,-2.9 -16,-1.9 -2,-0.3 2,-0.5 -0.982 17.2-140.3-131.7 140.9 10.8 -5.5 -0.8 22 23 A E E -AC 4 130A 47 108,-2.6 108,-2.0 -2,-0.4 2,-0.5 -0.872 23.5-148.2 -90.8 131.6 10.8 -9.2 -0.3 23 24 A L E - C 0 129A 0 -20,-2.7 2,-2.4 -2,-0.5 106,-0.3 -0.920 12.1-133.3-103.0 126.2 8.8 -10.1 2.8 24 25 A F >> + 0 0 25 104,-2.8 4,-2.8 -2,-0.5 3,-1.8 -0.367 42.8 156.7 -81.7 66.1 10.1 -13.2 4.6 25 26 A A T 34 + 0 0 32 -2,-2.4 -1,-0.2 1,-0.3 8,-0.1 0.751 68.6 66.2 -60.1 -26.7 6.6 -14.8 5.1 26 27 A D T 34 S+ 0 0 101 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.729 116.4 23.7 -68.3 -22.6 8.4 -18.1 5.4 27 28 A K T <4 S+ 0 0 83 -3,-1.8 -2,-0.2 1,-0.1 -1,-0.1 0.724 139.5 21.3-112.1 -35.3 10.1 -17.1 8.7 28 29 A V X + 0 0 0 -4,-2.8 4,-2.9 100,-0.2 5,-0.2 -0.596 68.3 164.4-134.9 69.7 7.9 -14.3 10.1 29 30 A P H > S+ 0 0 68 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.861 75.2 48.9 -58.6 -41.6 4.5 -14.8 8.5 30 31 A K H > S+ 0 0 63 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.925 116.1 43.0 -68.5 -42.4 2.5 -12.7 10.9 31 32 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.919 114.8 49.8 -69.0 -43.5 4.9 -9.8 10.7 32 33 A A H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.920 110.2 51.1 -59.5 -44.2 5.2 -10.1 6.9 33 34 A E H X S+ 0 0 64 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.867 106.2 54.9 -64.7 -39.8 1.4 -10.2 6.4 34 35 A N H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.966 113.0 41.4 -55.1 -54.0 0.9 -7.1 8.5 35 36 A F H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.899 114.4 53.1 -62.8 -42.7 3.3 -5.1 6.3 36 37 A R H X S+ 0 0 28 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.943 112.5 42.9 -57.5 -51.9 1.9 -6.7 3.1 37 38 A A H X>S+ 0 0 1 -4,-2.8 4,-1.5 1,-0.2 5,-0.7 0.846 112.6 52.3 -69.1 -34.2 -1.7 -5.7 4.0 38 39 A L H <5S+ 0 0 1 -4,-2.3 9,-2.0 -5,-0.3 10,-0.5 0.835 108.7 53.8 -66.6 -30.7 -0.7 -2.2 5.1 39 40 A S H <5S+ 0 0 1 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.814 114.0 39.0 -73.7 -33.4 1.1 -1.9 1.8 40 41 A T H <5S- 0 0 50 -4,-1.6 -1,-0.2 121,-0.2 -2,-0.2 0.662 98.8-136.9 -87.0 -20.2 -2.0 -2.8 -0.3 41 42 A G T ><5 + 0 0 31 -4,-1.5 3,-2.3 -5,-0.2 -3,-0.2 0.569 54.6 143.6 75.9 10.6 -4.4 -0.9 2.0 42 43 A E T 3 < + 0 0 98 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.669 64.8 56.5 -62.1 -20.7 -6.9 -3.8 1.9 43 44 A K T 3 S- 0 0 107 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.514 125.1 -98.3 -85.7 -5.0 -8.0 -3.3 5.5 44 45 A G S < S+ 0 0 71 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.500 100.7 57.8 99.9 7.1 -9.0 0.3 4.8 45 46 A F + 0 0 54 -8,-0.2 -2,-0.5 -4,-0.1 -1,-0.3 -0.958 60.5 107.8-156.3 164.4 -5.8 1.8 6.2 46 47 A G S S- 0 0 11 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.995 70.1 -37.0 155.4-160.4 -2.1 1.6 5.6 47 48 A Y S > S+ 0 0 0 -9,-2.0 3,-2.8 -2,-0.3 110,-0.3 0.661 80.9 114.9 -79.6 -21.0 1.1 3.1 4.2 48 49 A K T 3 S+ 0 0 142 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.294 90.6 11.1 -55.6 127.4 -0.2 5.0 1.1 49 50 A G T 3 S+ 0 0 59 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.347 101.2 125.2 86.3 -5.7 0.3 8.7 1.7 50 51 A S < - 0 0 8 -3,-2.8 107,-3.1 107,-0.2 -1,-0.3 -0.322 50.5-131.2 -83.6 168.6 2.5 8.2 4.8 51 52 A C B -D 156 0A 42 14,-0.4 2,-1.0 105,-0.3 13,-0.7 -0.766 17.3-117.1-118.8 160.3 5.9 9.6 5.3 52 53 A F + 0 0 1 103,-2.9 103,-0.4 -2,-0.3 11,-0.3 -0.873 41.1 176.4 -89.3 100.7 9.4 8.5 6.3 53 54 A H + 0 0 49 -2,-1.0 2,-0.4 9,-0.4 98,-0.4 0.588 61.8 43.9 -88.9 -15.3 9.5 10.8 9.3 54 55 A R E +E 62 0A 53 8,-1.6 8,-3.6 96,-0.1 2,-0.5 -0.946 61.8 166.6-136.2 110.8 12.8 9.7 10.8 55 56 A I E -E 61 0A 0 94,-2.6 91,-2.1 -2,-0.4 94,-0.3 -0.978 9.0-175.8-129.9 116.5 15.8 9.3 8.5 56 57 A I E >> -E 60 0A 30 4,-2.9 3,-2.0 -2,-0.5 4,-1.4 -0.953 28.1-124.0-119.3 110.0 19.3 9.0 10.0 57 58 A P T 34 S+ 0 0 60 0, 0.0 86,-0.0 0, 0.0 82,-0.0 -0.217 95.4 16.6 -55.9 138.3 22.2 8.8 7.5 58 59 A G T 34 S+ 0 0 52 1,-0.1 56,-0.0 57,-0.1 84,-0.0 0.475 129.9 53.0 78.5 4.4 24.4 5.8 7.9 59 60 A F T <4 S- 0 0 12 -3,-2.0 56,-2.8 1,-0.2 57,-0.8 0.522 103.4 -48.0-131.5 -79.2 21.7 4.1 10.0 60 61 A M E < -EF 56 114A 0 -4,-1.4 -4,-2.9 54,-0.3 2,-0.5 -0.995 28.4-122.7-164.6 162.7 18.1 3.8 8.8 61 62 A C E -EF 55 113A 0 52,-2.5 52,-2.3 -2,-0.3 2,-0.4 -0.977 33.5-165.1-113.9 121.9 15.0 5.2 7.2 62 63 A Q E +EF 54 112A 2 -8,-3.6 -8,-1.6 -2,-0.5 -9,-0.4 -0.864 21.2 135.1-114.8 137.8 11.9 4.9 9.3 63 64 A G E + F 0 111A 0 48,-2.2 48,-1.8 -2,-0.4 -11,-0.2 -0.716 16.7 115.9-146.7-158.7 8.2 5.4 8.4 64 65 A G + 0 0 0 -13,-0.7 2,-0.2 1,-0.3 11,-0.2 0.464 39.8 139.9 103.6 4.1 4.8 3.9 8.8 65 66 A N + 0 0 41 -14,-0.5 -14,-0.4 9,-0.1 -1,-0.3 -0.578 19.2 157.0 -69.0 137.6 2.8 6.5 10.8 66 67 A F - 0 0 24 -2,-0.2 8,-1.6 6,-0.1 2,-0.2 -0.962 42.5 -92.3-152.7 164.5 -0.8 7.0 9.7 67 68 A T + 0 0 114 -2,-0.3 2,-0.3 6,-0.1 5,-0.2 -0.531 47.2 152.1 -82.9 140.0 -3.9 8.3 11.4 68 69 A H B > -I 71 0B 40 3,-2.7 3,-1.5 -2,-0.2 5,-0.1 -0.895 57.8 -83.2-149.3 175.9 -6.5 6.1 13.2 69 70 A H T 3 S+ 0 0 182 1,-0.3 -1,-0.0 -2,-0.3 -2,-0.0 0.884 124.0 34.5 -55.3 -51.5 -8.9 6.8 16.1 70 71 A N T 3 S+ 0 0 114 -3,-0.0 2,-0.3 1,-0.0 -1,-0.3 0.234 127.8 0.1 -89.4 13.2 -6.6 6.4 19.1 71 72 A G B < -I 68 0B 25 -3,-1.5 -3,-2.7 1,-0.1 4,-0.0 -0.997 44.9-131.3 180.0 169.4 -3.5 7.7 17.4 72 73 A T S S+ 0 0 110 -2,-0.3 -6,-0.1 -5,-0.2 3,-0.1 0.273 92.6 83.5-115.6 0.2 -1.5 9.3 14.6 73 74 A G S S- 0 0 29 1,-0.3 36,-0.4 -8,-0.2 37,-0.3 0.297 96.7-113.3 -93.7 8.1 1.3 6.7 15.0 74 75 A G - 0 0 4 -8,-1.6 2,-0.3 -9,-0.1 -1,-0.3 -0.107 25.9-132.1 86.2 170.4 -0.2 3.9 13.0 75 76 A K - 0 0 56 -11,-0.2 5,-0.2 33,-0.2 6,-0.2 -0.970 17.1-105.9-155.0 163.0 -1.5 0.5 14.0 76 77 A S B > -J 79 0C 1 4,-1.6 3,-0.6 3,-0.7 33,-0.1 -0.271 33.5-109.4 -82.0 176.2 -1.2 -3.2 12.9 77 78 A I T 3 S+ 0 0 30 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.397 114.2 64.4 -82.5 -0.4 -3.8 -5.2 11.1 78 79 A Y T 3 S- 0 0 85 1,-0.6 2,-0.2 2,-0.1 -1,-0.2 -0.056 125.8 -74.6-109.8 30.0 -4.4 -7.3 14.3 79 80 A G B < S-J 76 0C 45 -3,-0.6 -3,-0.7 1,-0.2 -1,-0.6 -0.650 87.2 -36.6 92.9-165.7 -5.7 -4.4 16.5 80 81 A E S S+ 0 0 95 -2,-0.2 -4,-1.6 -5,-0.2 2,-0.3 0.942 120.8 1.8 -66.0 -56.0 -3.4 -1.7 17.8 81 82 A K - 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0 0 97 -2,-1.6 25,-0.3 25,-0.2 -1,-0.2 0.579 51.6 -45.9 -90.9 -13.5 23.1 -7.9 8.7 93 94 A G S > S- 0 0 9 23,-0.4 3,-1.3 -3,-0.1 23,-0.3 -0.981 86.7 -18.3 170.2-173.1 23.6 -4.9 6.4 94 95 A P T 3 S+ 0 0 90 0, 0.0 21,-0.3 0, 0.0 23,-0.1 -0.254 114.4 32.3 -56.2 139.7 22.0 -2.3 4.1 95 96 A G T 3 S+ 0 0 5 19,-3.3 36,-2.5 1,-0.3 2,-0.1 0.236 76.1 144.1 99.8 -10.3 18.4 -3.0 2.9 96 97 A I E < -G 130 0A 15 -3,-1.3 18,-2.8 34,-0.2 2,-0.5 -0.430 39.5-148.1 -62.8 132.9 17.1 -4.9 5.9 97 98 A L E +GH 129 113A 0 32,-2.5 31,-2.3 16,-0.2 32,-1.4 -0.918 28.7 164.3-106.0 124.1 13.5 -4.2 6.6 98 99 A S E -GH 127 112A 0 14,-2.5 14,-2.6 -2,-0.5 2,-0.4 -0.906 36.6 -97.5-143.0 158.6 12.6 -4.4 10.4 99 100 A M E - H 0 111A 0 27,-1.8 12,-0.3 -2,-0.3 27,-0.2 -0.694 25.3-142.5 -86.7 131.7 9.9 -3.3 12.8 100 101 A A + 0 0 4 10,-1.7 8,-0.5 -2,-0.4 2,-0.3 -0.495 33.4 166.1 -73.4 155.3 10.0 -0.2 14.9 101 102 A N - 0 0 38 -2,-0.2 65,-0.2 6,-0.1 6,-0.1 -0.965 48.6-121.5-160.5 176.4 8.6 -0.6 18.4 102 103 A A S S- 0 0 91 1,-0.5 5,-0.1 -2,-0.3 -2,-0.0 -0.315 86.1 -54.7-118.3 44.5 8.3 0.9 21.9 103 104 A G S > S- 0 0 25 21,-0.2 3,-0.8 3,-0.0 -1,-0.5 -0.490 100.1 -11.2 105.0 179.3 9.9 -2.0 23.7 104 105 A P T 3 S+ 0 0 106 0, 0.0 -21,-0.1 0, 0.0 21,-0.1 -0.170 126.8 5.2 -57.5 140.4 9.0 -5.8 23.6 105 106 A N T 3 S+ 0 0 93 1,-0.1 -22,-0.1 -4,-0.0 -24,-0.1 0.843 92.7 115.8 57.1 43.2 5.7 -6.9 22.1 106 107 A T < + 0 0 40 -3,-0.8 2,-0.3 -25,-0.1 -4,-0.2 -0.108 32.0 151.4-130.4 37.0 4.7 -3.4 20.7 107 108 A N B +K 82 0D 0 -25,-2.0 -25,-1.9 -6,-0.1 -31,-0.2 -0.517 7.4 148.0 -70.3 130.9 4.7 -3.9 17.0 108 109 A G - 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