==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 14-JAN-02 1KT1 . COMPND 2 MOLECULE: FK506-BINDING PROTEIN FKBP51; . SOURCE 2 ORGANISM_SCIENTIFIC: SAIMIRI BOLIVIENSIS; . AUTHOR C.R.SINARS,J.CHEUNG-FLYNN,R.A.RIMERMAN,J.G.SCAMMELL, . 374 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 75.7 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 . 64 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 0 1 0 0 0 0 0 2 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 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 . 1 1 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 28 A K 0 0 226 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.3 9.0 83.3 3.7 2 29 A K + 0 0 197 2,-0.1 2,-0.3 3,-0.1 0, 0.0 0.680 360.0 113.0 -32.2 -29.5 10.2 86.2 1.5 3 30 A D S S- 0 0 123 1,-0.2 2,-2.5 2,-0.0 3,-0.4 -0.358 77.1-128.9 -54.5 113.5 11.7 87.7 4.7 4 31 A R + 0 0 201 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 -0.027 57.5 141.9 -61.6 37.1 15.5 87.5 4.1 5 32 A G S S+ 0 0 37 -2,-2.5 2,-0.4 -4,-0.3 -1,-0.2 0.852 74.7 21.1 -45.7 -43.0 16.4 85.7 7.3 6 33 A V + 0 0 31 -3,-0.4 2,-0.3 58,-0.0 60,-0.2 -0.986 66.6 168.6-133.5 140.9 19.0 83.7 5.4 7 34 A L E -A 65 0A 90 58,-0.6 58,-2.5 -2,-0.4 2,-0.3 -0.986 14.0-158.7-147.8 150.6 20.9 84.2 2.1 8 35 A K E -A 64 0A 75 -2,-0.3 2,-0.3 56,-0.2 56,-0.2 -0.905 15.4-158.3-139.9 166.2 23.9 82.6 0.5 9 36 A I E A 63 0A 120 54,-2.0 54,-2.7 -2,-0.3 -2,-0.0 -0.920 360.0 360.0-133.1 155.7 26.8 82.6 -1.9 10 37 A V 0 0 132 -2,-0.3 -1,-0.1 52,-0.3 51,-0.0 0.658 360.0 360.0-122.4 360.0 28.7 79.8 -3.5 11 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 12 42 A H 0 0 154 0, 0.0 47,-0.1 0, 0.0 45,-0.0 0.000 360.0 360.0 360.0-153.1 28.4 68.9 -7.7 13 43 A G - 0 0 32 1,-0.2 45,-0.5 44,-0.1 2,-0.1 -0.008 360.0-117.4 -45.7 150.1 25.6 66.2 -8.1 14 44 A E S S+ 0 0 175 43,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.024 85.6 100.6 -83.7 31.3 22.1 67.6 -8.6 15 45 A E - 0 0 107 -2,-0.1 43,-0.9 3,-0.0 3,-0.0 -0.912 52.5-168.4-115.2 141.5 20.9 66.0 -5.3 16 46 A T - 0 0 51 -2,-0.4 41,-0.1 41,-0.2 38,-0.1 -0.985 37.6 -76.1-133.3 143.9 20.5 68.0 -2.1 17 47 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.028 46.5-154.5 -38.0 131.6 19.9 66.8 1.6 18 48 A M > - 0 0 47 1,-0.2 3,-3.0 22,-0.1 22,-0.2 -0.823 38.9 -68.6-111.7 151.1 16.4 65.7 2.3 19 49 A I T 3 S+ 0 0 37 89,-0.3 89,-1.1 -2,-0.3 22,-0.2 0.024 123.7 16.7 -38.4 136.8 14.7 65.7 5.7 20 50 A G T 3 S+ 0 0 4 20,-1.7 -1,-0.3 1,-0.2 21,-0.1 0.262 91.5 141.1 81.7 -15.8 16.2 63.2 8.1 21 51 A D < - 0 0 1 -3,-3.0 19,-1.0 87,-0.1 2,-0.6 -0.172 55.9-120.2 -56.6 155.6 19.3 62.9 5.9 22 52 A R E -CD 39 94B 79 72,-3.6 72,-2.5 17,-0.2 2,-0.3 -0.910 32.5-152.8-102.0 118.4 22.6 62.6 7.8 23 53 A V E -CD 38 93B 0 15,-2.5 15,-0.7 -2,-0.6 2,-0.5 -0.718 14.1-161.1-101.6 147.8 24.9 65.4 6.8 24 54 A Y E +CD 37 92B 67 68,-2.5 68,-1.8 -2,-0.3 67,-1.1 -0.962 32.8 142.3-122.9 109.3 28.7 65.6 6.8 25 55 A V E -CD 36 90B 0 11,-0.5 11,-1.3 -2,-0.5 2,-0.4 -0.795 43.1-133.6-140.0-177.2 30.2 69.2 6.8 26 56 A H E - D 0 89B 83 63,-0.7 63,-1.8 -2,-0.2 2,-0.2 -0.991 34.7-179.1-138.1 132.0 32.9 71.6 7.9 27 57 A Y - 0 0 131 -2,-0.4 2,-0.2 61,-0.2 61,-0.2 -0.755 22.9-173.0-132.9-178.8 31.9 75.1 9.1 28 58 A N - 0 0 44 59,-0.4 59,-1.8 -2,-0.2 2,-0.2 -0.835 15.1-154.3-172.6 131.2 33.0 78.4 10.5 29 59 A G - 0 0 26 -2,-0.2 57,-0.2 57,-0.2 2,-0.1 -0.602 9.4-176.7-110.8 172.1 31.0 81.4 11.8 30 60 A K - 0 0 95 55,-0.4 56,-0.0 -2,-0.2 -2,-0.0 -0.529 8.2-167.6-174.1 102.4 31.5 85.2 12.1 31 61 A L S S- 0 0 78 2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.934 90.5 -35.9 -52.5-104.9 29.3 87.9 13.7 32 62 A A 0 0 101 53,-0.0 -1,-0.2 52,-0.0 52,-0.1 0.077 360.0 360.0-101.8 8.9 30.4 91.4 12.8 33 63 A N 0 0 148 52,-0.0 -2,-0.3 0, 0.0 -4,-0.0 -0.473 360.0 360.0 92.8 360.0 33.4 89.1 13.2 34 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 35 76 A P 0 0 127 0, 0.0 2,-0.9 0, 0.0 -9,-0.2 0.000 360.0 360.0 360.0 126.9 33.6 67.1 11.2 36 77 A F E -C 25 0B 74 -11,-1.3 2,-0.5 2,-0.0 -11,-0.5 -0.792 360.0-180.0-100.5 93.4 30.1 68.2 12.5 37 78 A V E +C 24 0B 53 -2,-0.9 -13,-0.2 -13,-0.2 2,-0.2 -0.837 14.1 145.5 -99.1 124.1 27.6 65.6 11.2 38 79 A F E -C 23 0B 8 -15,-0.7 -15,-2.5 -2,-0.5 2,-0.5 -0.525 48.4 -87.2-133.9-161.4 23.9 66.1 12.2 39 80 A S E > -C 22 0B 17 -17,-0.2 3,-0.9 -2,-0.2 5,-0.5 -0.951 34.2-145.0-128.6 113.6 20.4 65.5 10.8 40 81 A I T 3 S+ 0 0 3 -19,-1.0 -20,-1.7 -2,-0.5 2,-0.5 -0.030 81.9 37.7 -64.2 172.9 18.7 68.1 8.6 41 82 A G T 3 S+ 0 0 20 9,-0.2 2,-0.3 -22,-0.2 -1,-0.2 0.129 99.3 95.2 71.0 -28.0 15.0 68.7 8.7 42 83 A K S < S- 0 0 92 -3,-0.9 2,-1.2 -2,-0.5 3,-0.3 -0.730 91.0-115.6 -95.0 147.3 15.1 68.2 12.5 43 84 A G S S+ 0 0 81 -2,-0.3 -3,-0.1 1,-0.2 -1,-0.1 0.085 80.1 123.9 -70.2 32.4 15.4 71.1 14.8 44 85 A Q S S+ 0 0 120 -2,-1.2 2,-0.3 -5,-0.5 -1,-0.2 0.236 78.6 5.2 -78.3 14.2 18.8 69.6 15.7 45 86 A V S S- 0 0 28 -3,-0.3 5,-0.1 1,-0.1 -7,-0.0 -0.943 110.8 -32.5-177.1 176.0 20.6 72.8 14.8 46 87 A I > - 0 0 34 -2,-0.3 4,-0.6 1,-0.1 23,-0.1 0.092 51.4-124.4 -41.1 155.8 19.9 76.4 13.7 47 88 A K H > S+ 0 0 158 21,-1.0 4,-1.0 2,-0.2 -1,-0.1 0.802 113.8 53.6 -75.4 -28.2 16.8 77.0 11.6 48 89 A A H >> S+ 0 0 0 20,-0.7 4,-3.4 1,-0.2 3,-0.6 0.917 104.2 52.8 -71.5 -43.4 19.1 78.6 9.0 49 90 A W H 34 S+ 0 0 3 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.708 109.3 52.1 -64.0 -19.4 21.4 75.6 8.9 50 91 A D H 3< S+ 0 0 28 -4,-0.6 -1,-0.3 3,-0.1 -9,-0.2 0.756 116.9 37.6 -86.4 -24.9 18.3 73.5 8.2 51 92 A I H << S+ 0 0 108 -4,-1.0 -2,-0.2 -3,-0.6 -3,-0.2 0.803 124.7 34.1 -94.6 -36.9 17.2 75.8 5.3 52 93 A G S >X S+ 0 0 5 -4,-3.4 3,-1.5 1,-0.1 4,-0.8 0.914 114.8 51.4 -87.2 -49.1 20.5 76.7 3.6 53 94 A V T 34 S+ 0 0 0 -5,-0.5 3,-0.4 -4,-0.3 -1,-0.1 0.768 104.9 65.7 -58.6 -21.1 22.5 73.5 4.1 54 95 A A T 34 S+ 0 0 28 1,-0.2 -1,-0.3 -38,-0.1 -2,-0.1 -0.058 101.3 46.0 -91.4 29.1 19.4 71.9 2.6 55 96 A T T <4 S+ 0 0 65 -3,-1.5 -1,-0.2 5,-0.1 2,-0.2 0.335 85.0 107.9-142.4 -14.5 20.0 73.7 -0.7 56 97 A M < - 0 0 0 -4,-0.8 2,-0.1 -3,-0.4 3,-0.1 -0.506 66.4-134.7 -70.9 134.2 23.7 73.0 -1.1 57 98 A K > - 0 0 85 1,-0.2 3,-2.7 -2,-0.2 33,-0.2 -0.469 53.9 -64.6 -79.9 163.4 24.4 70.4 -3.8 58 99 A K T 3 S+ 0 0 77 -43,-0.9 -1,-0.2 -45,-0.5 33,-0.2 -0.142 127.7 6.1 -47.7 146.8 27.0 67.8 -2.6 59 100 A G T 3 S+ 0 0 23 31,-2.3 2,-1.5 32,-0.2 -1,-0.3 0.576 88.7 152.8 52.9 11.2 30.3 69.5 -2.0 60 101 A E < - 0 0 33 -3,-2.7 30,-0.4 30,-0.2 2,-0.3 -0.569 32.7-156.4 -76.0 91.0 28.7 72.9 -2.6 61 102 A I + 0 0 91 -2,-1.5 2,-0.3 28,-0.2 28,-0.2 -0.529 27.2 162.2 -68.3 127.8 30.9 75.2 -0.6 62 103 A C E - B 0 88A 2 26,-0.8 26,-1.8 -2,-0.3 2,-0.4 -0.881 38.5-123.5-143.2 173.7 28.8 78.3 0.3 63 104 A H E -AB 9 87A 67 -54,-2.7 -54,-2.0 -2,-0.3 2,-0.4 -0.984 25.3-163.9-122.9 132.8 28.5 81.4 2.6 64 105 A L E -AB 8 86A 2 22,-2.3 22,-2.1 -2,-0.4 2,-0.6 -0.947 11.4-158.4-121.5 139.5 25.3 82.0 4.6 65 106 A L E AB 7 85A 98 -58,-2.5 -58,-0.6 -2,-0.4 20,-0.2 -0.900 360.0 360.0-120.1 101.5 24.1 85.2 6.4 66 107 A C 0 0 24 18,-1.5 3,-0.2 -2,-0.6 19,-0.1 0.854 360.0 360.0-100.0 360.0 21.6 84.4 9.1 67 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 68 112 A A 0 0 45 0, 0.0 -21,-1.0 0, 0.0 -20,-0.7 0.000 360.0 360.0 360.0 42.2 17.0 82.4 12.3 69 113 A Y - 0 0 125 -3,-0.2 2,-0.2 -23,-0.1 5,-0.0 -0.995 360.0 -46.8-160.5 164.2 18.6 82.6 15.7 70 114 A G > + 0 0 33 -2,-0.3 4,-0.5 1,-0.2 12,-0.2 0.010 50.7 161.6 -34.6 87.4 18.5 83.7 19.4 71 115 A A T 4 + 0 0 53 -2,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.986 70.0 53.7 -72.9 -61.5 17.3 87.3 19.2 72 116 A T T 4 S- 0 0 109 1,-0.2 -1,-0.1 9,-0.1 9,-0.1 0.746 130.1 -42.5 -44.5 -41.7 16.2 87.7 22.8 73 117 A G T 4 + 0 0 43 7,-0.2 -1,-0.2 6,-0.1 -2,-0.1 0.032 56.7 159.8 159.7 86.7 19.4 86.5 24.5 74 118 A S X + 0 0 23 6,-0.7 4,-0.6 -4,-0.5 3,-0.2 0.660 50.8 126.6 -89.6 -23.4 21.7 83.6 23.7 75 119 A L T 4 + 0 0 84 3,-0.3 2,-0.2 2,-0.2 -5,-0.0 0.033 27.1 67.0 -51.7 173.3 24.8 84.9 25.6 76 120 A P T 4 S+ 0 0 131 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.771 135.3 15.8 -60.1 -57.2 27.0 84.5 27.7 77 121 A K T 4 S+ 0 0 193 -2,-0.2 -2,-0.2 1,-0.2 -3,-0.0 0.637 133.0 54.4 -55.8 -22.3 28.4 81.9 25.3 78 122 A I S < S- 0 0 56 -4,-0.6 -4,-0.3 -5,-0.0 -3,-0.3 -0.793 97.2-117.6-125.6 93.1 26.3 83.2 22.5 79 123 A P > - 0 0 72 0, 0.0 3,-1.3 0, 0.0 -5,-0.2 0.138 42.3 -99.3 -27.3 121.9 26.7 87.0 21.8 80 124 A S T 3 S- 0 0 61 1,-0.3 -6,-0.7 -7,-0.1 -7,-0.2 0.709 94.9 -8.0 -12.8-118.7 23.3 88.8 22.4 81 125 A N T 3 S+ 0 0 100 -9,-0.1 -1,-0.3 -8,-0.1 -10,-0.1 -0.037 98.6 161.7 -86.2 35.2 21.1 89.6 19.4 82 126 A A < - 0 0 30 -3,-1.3 -13,-0.1 -12,-0.2 2,-0.1 0.318 38.5-147.5 -47.7 175.4 23.9 88.5 17.1 83 127 A T - 0 0 65 -15,-0.0 -1,-0.1 2,-0.0 -2,-0.1 -0.523 20.8-159.6-151.6 75.1 23.9 87.5 13.4 84 128 A L - 0 0 66 -19,-0.1 -18,-1.5 -18,-0.1 2,-0.4 -0.016 3.4-149.0 -57.9 160.2 26.5 84.9 12.6 85 129 A F E -B 65 0A 55 -20,-0.2 -55,-0.4 -19,-0.1 2,-0.4 -0.994 15.7-155.9-131.6 136.6 27.8 84.1 9.2 86 130 A F E -B 64 0A 15 -22,-2.1 -22,-2.3 -2,-0.4 2,-0.6 -0.918 22.3-158.9-128.0 149.8 29.0 80.7 8.0 87 131 A E E -B 63 0A 82 -59,-1.8 2,-0.5 -2,-0.4 -59,-0.4 -0.986 27.8-178.0-113.9 117.2 31.3 79.0 5.5 88 132 A V E -B 62 0A 0 -26,-1.8 2,-1.0 -2,-0.6 -26,-0.8 -0.869 20.5-159.5-132.0 106.0 30.0 75.4 5.2 89 133 A E E -D 26 0B 83 -63,-1.8 2,-1.6 -2,-0.5 -63,-0.7 -0.669 18.3-145.9 -78.7 101.2 31.7 72.8 3.0 90 134 A L E +D 25 0B 0 -2,-1.0 -31,-2.3 -30,-0.4 -65,-0.2 -0.554 23.0 178.4 -72.8 92.3 28.9 70.2 2.4 91 135 A L E - 0 0 61 -2,-1.6 2,-0.3 -67,-1.1 -32,-0.2 0.977 54.2 -44.7 -58.4 -60.8 31.2 67.2 2.3 92 136 A D E -D 24 0B 54 -68,-1.8 -68,-2.5 -3,-0.2 2,-0.3 -0.981 46.8-148.2-170.3 160.3 28.4 64.6 1.9 93 137 A F E -D 23 0B 14 -2,-0.3 2,-0.3 -70,-0.2 -70,-0.2 -0.999 10.4-166.9-142.1 142.9 25.0 63.4 3.1 94 138 A K E -D 22 0B 105 -72,-2.5 -72,-3.6 -2,-0.3 3,-0.1 -0.864 26.0-101.3-128.4 163.0 23.3 60.0 3.4 95 139 A G - 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F 0 172C 22 65,-1.9 65,-2.6 -2,-0.3 2,-0.4 -0.973 25.9-136.3-129.2 109.0 14.8 59.5 2.3 108 152 A T E + F 0 171C 13 -89,-1.1 -89,-0.3 -2,-0.5 63,-0.3 -0.580 26.6 174.9 -73.3 126.6 11.9 61.6 3.7 109 153 A K E S+ 0 0 101 61,-3.2 2,-0.3 -2,-0.4 62,-0.2 0.748 70.5 16.4-100.6 -35.7 10.1 63.4 0.9 110 154 A R E S- F 0 170C 178 60,-2.2 60,-1.4 -91,-0.1 -1,-0.2 -0.759 79.0-128.2-150.4 99.2 7.2 65.0 2.8 111 155 A R - 0 0 133 -2,-0.3 2,-0.2 58,-0.2 60,-0.0 0.123 31.3-133.6 -36.2 151.3 7.1 65.4 6.6 112 156 A G - 0 0 13 57,-0.1 56,-0.2 2,-0.1 55,-0.1 -0.657 14.4-128.6-115.3 174.5 4.0 64.1 8.3 113 157 A E + 0 0 130 54,-2.3 55,-0.1 -2,-0.2 -1,-0.1 0.497 64.4 128.0 -94.5 -9.6 1.4 65.1 11.0 114 158 A G + 0 0 9 53,-0.9 52,-0.1 1,-0.2 -2,-0.1 -0.061 32.9 175.0 -54.1 148.5 1.7 61.9 13.0 115 159 A Y S S+ 0 0 185 1,-0.0 2,-0.2 0, 0.0 -1,-0.2 0.440 80.3 38.7-120.2 -25.9 2.4 61.9 16.8 116 160 A S S S- 0 0 37 3,-0.0 51,-0.4 49,-0.0 -1,-0.0 -0.642 78.4-138.5-116.9 176.3 1.9 58.1 16.8 117 161 A N - 0 0 59 -2,-0.2 46,-0.1 49,-0.1 49,-0.1 -0.967 31.0 -87.6-139.6 154.6 3.0 55.4 14.4 118 162 A P - 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