==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 14-JAN-02 1KT0 . COMPND 2 MOLECULE: 51 KDA FK506-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.R.SINARS,J.CHEUNG-FLYNN,R.A.RIMERMAN,J.G.SCAMMELL,D.F.SMIT . 357 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 78.2 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 . 78 21.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 2 0 0 0 0 1 1 1 1 0 0 0 0 1 0 0 0 1 1 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 . 5 1 1 1 0 3 0 0 2 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 0 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 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 33 A V 0 0 36 0, 0.0 2,-0.4 0, 0.0 58,-0.2 0.000 360.0 360.0 360.0 100.6 17.9 81.8 70.8 2 34 A L E -A 58 0A 116 56,-2.3 56,-2.2 2,-0.0 2,-0.2 -0.795 360.0-159.1 -95.1 132.9 19.9 83.2 67.9 3 35 A K E +A 57 0A 109 -2,-0.4 2,-0.3 54,-0.2 54,-0.2 -0.692 18.1 173.8-113.7 162.0 22.1 80.8 66.0 4 36 A I E A 56 0A 114 52,-1.2 52,-1.9 -2,-0.2 -2,-0.0 -0.879 360.0 360.0-163.9 129.7 25.2 81.0 63.7 5 37 A V 0 0 135 -2,-0.3 49,-0.2 50,-0.2 -1,-0.1 0.721 360.0 360.0 -87.4 360.0 27.3 78.2 62.2 6 ! 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 7 46 A T 0 0 91 0, 0.0 43,-0.2 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 122.1 20.3 65.7 63.7 8 47 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 41,-0.1 -0.152 360.0-148.3 -52.7 146.2 19.9 64.7 67.4 9 48 A M > - 0 0 37 1,-0.1 3,-2.9 81,-0.1 24,-0.3 -0.793 32.8 -71.6-119.2 161.7 16.4 63.7 68.6 10 49 A I B 3 S+F 104 0B 47 94,-0.7 94,-1.4 -2,-0.3 24,-0.3 -0.270 123.0 15.7 -50.5 129.1 14.5 64.0 71.8 11 50 A G T 3 S+ 0 0 4 22,-5.1 -1,-0.3 1,-0.3 23,-0.1 0.369 92.8 137.6 86.5 -4.2 16.0 61.5 74.3 12 51 A D < - 0 0 0 -3,-2.9 21,-1.8 21,-0.2 2,-0.6 -0.368 60.6-113.8 -72.9 156.2 19.2 60.9 72.3 13 52 A K E -BC 32 90A 88 77,-3.7 77,-2.1 19,-0.2 2,-0.3 -0.821 39.5-162.5 -91.3 122.7 22.5 60.7 74.1 14 53 A V E -BC 31 89A 0 17,-2.5 17,-1.0 -2,-0.6 2,-0.4 -0.845 13.7-161.0-112.2 145.8 24.5 63.7 73.0 15 54 A Y E +BC 30 88A 51 73,-2.4 72,-2.3 -2,-0.3 73,-1.3 -0.990 25.9 155.3-125.2 124.7 28.3 64.4 73.2 16 55 A V E -BC 29 86A 0 13,-1.6 13,-2.2 -2,-0.4 2,-0.4 -0.931 36.1-142.1-146.2 169.6 29.6 67.9 73.0 17 56 A H E + C 0 85A 86 68,-1.4 68,-3.3 -2,-0.3 2,-0.3 -0.979 35.2 167.3-129.8 138.9 32.4 70.4 73.8 18 57 A Y E - C 0 84A 33 -2,-0.4 2,-0.3 66,-0.2 66,-0.2 -0.983 31.6-155.0-153.6 165.9 31.5 74.0 74.7 19 58 A K E - C 0 83A 125 64,-1.7 64,-2.3 7,-0.3 2,-0.5 -0.988 17.1-163.0-140.4 134.4 32.5 77.4 76.1 20 59 A G E +DC 25 82A 1 5,-2.1 5,-1.0 -2,-0.3 2,-0.3 -0.940 11.4 176.4-131.0 114.4 30.0 79.8 77.6 21 60 A K E C 0 81A 141 60,-1.2 60,-2.5 -2,-0.5 -2,-0.0 -0.734 360.0 360.0-114.0 162.3 30.7 83.4 78.2 22 61 A L 0 0 121 -2,-0.3 -1,-0.2 58,-0.2 59,-0.1 0.626 360.0 360.0 -89.5 360.0 28.6 86.3 79.4 23 ! 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 24 67 A F 0 0 71 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 -17.6 32.1 80.7 82.9 25 68 A D B D 20 0A 76 -5,-1.0 -5,-2.1 0, 0.0 0, 0.0 -0.994 360.0 360.0-147.6 137.9 32.1 77.1 81.8 26 69 A S 0 0 109 -2,-0.3 -7,-0.3 -7,-0.2 0, 0.0 -0.818 360.0 360.0-109.3 360.0 34.3 75.1 79.3 27 ! 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 28 76 A P 0 0 111 0, 0.0 2,-0.6 0, 0.0 -11,-0.2 0.000 360.0 360.0 360.0 122.6 33.1 65.6 76.7 29 77 A F E -B 16 0A 80 -13,-2.2 -13,-1.6 2,-0.0 2,-0.5 -0.724 360.0-169.7 -83.6 116.6 29.9 66.7 78.3 30 78 A V E +B 15 0A 63 -2,-0.6 2,-0.3 -15,-0.2 -15,-0.2 -0.916 18.7 140.4-118.3 121.1 27.2 64.1 77.8 31 79 A F E -B 14 0A 9 -17,-1.0 -17,-2.5 -2,-0.5 2,-0.5 -0.823 49.5 -89.6-141.3 178.6 23.5 64.6 78.5 32 80 A S E > -B 13 0A 29 -2,-0.3 3,-0.7 -19,-0.2 5,-0.4 -0.845 35.5-132.4-102.8 131.1 20.0 63.7 77.1 33 81 A L T 3 S+ 0 0 3 -21,-1.8 -22,-5.1 -2,-0.5 -21,-0.2 -0.543 86.4 25.1 -81.0 138.0 18.3 66.0 74.6 34 82 A G T 3 S+ 0 0 20 1,-0.4 2,-0.3 -24,-0.3 -1,-0.2 0.212 98.6 99.1 96.9 -18.4 14.7 66.9 75.2 35 83 A K S X S- 0 0 80 -3,-0.7 3,-0.9 1,-0.1 2,-0.9 -0.778 92.5-105.6 -99.7 149.7 14.8 66.4 78.9 36 84 A G T 3 S+ 0 0 79 -2,-0.3 -3,-0.1 1,-0.3 4,-0.1 0.254 87.2 117.1 -62.3 21.2 15.2 69.4 81.1 37 85 A Q T 3 S+ 0 0 110 -2,-0.9 2,-0.3 -5,-0.4 -1,-0.3 0.741 79.8 23.4 -61.6 -26.4 18.8 68.4 81.7 38 86 A V S < S- 0 0 22 -3,-0.9 -4,-0.0 -6,-0.2 26,-0.0 -0.808 102.8 -71.8-131.0 176.5 20.1 71.5 80.1 39 87 A I > - 0 0 17 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.264 46.8-107.7 -67.4 156.4 18.8 75.0 79.5 40 88 A K H > S+ 0 0 128 24,-0.3 4,-2.5 1,-0.2 5,-0.3 0.854 116.1 61.3 -52.4 -42.0 16.1 75.6 76.8 41 89 A A H > S+ 0 0 0 22,-2.4 4,-3.8 1,-0.2 -1,-0.2 0.938 107.9 44.2 -53.0 -49.4 18.5 77.3 74.4 42 90 A W H >>S+ 0 0 11 -3,-0.4 4,-1.6 21,-0.3 5,-0.7 0.963 112.0 49.5 -60.5 -57.1 20.6 74.1 74.2 43 91 A D H X5S+ 0 0 31 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.848 120.0 40.8 -52.0 -35.6 17.6 71.7 73.9 44 92 A I H <5S+ 0 0 68 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.878 122.8 40.6 -78.3 -42.6 16.4 74.0 71.1 45 93 A G H ><5S+ 0 0 0 -4,-3.8 3,-4.3 -5,-0.3 4,-0.3 0.999 111.6 48.8 -69.2 -73.3 19.8 74.6 69.7 46 94 A V H ><5S+ 0 0 0 -4,-1.6 3,-2.3 1,-0.3 -3,-0.2 0.798 100.3 71.0 -37.0 -37.8 21.6 71.2 69.7 47 95 A A T 3< - 0 0 148 -2,-0.3 3,-1.8 -43,-0.2 36,-0.2 -0.747 49.7 -77.0 -98.3 153.4 24.4 68.0 62.3 51 99 A R T 3 S+ 0 0 156 -2,-0.3 36,-0.2 1,-0.2 -1,-0.1 -0.181 116.5 14.8 -54.8 140.6 27.1 65.8 63.7 52 100 A G T 3 S+ 0 0 50 34,-3.0 -1,-0.2 1,-0.2 35,-0.1 0.403 96.7 129.1 77.8 -4.8 30.6 67.3 64.0 53 101 A E < - 0 0 42 -3,-1.8 33,-1.5 33,-0.2 2,-0.3 -0.315 45.1-150.6 -78.5 164.8 29.2 70.8 63.4 54 102 A I E + E 0 85A 66 -49,-0.2 2,-0.2 31,-0.2 31,-0.2 -0.998 19.9 169.4-137.1 136.3 30.0 73.9 65.6 55 103 A C E - E 0 84A 5 29,-1.8 29,-1.6 -2,-0.3 2,-0.3 -0.743 27.5-126.0-136.8-176.2 27.7 76.9 66.2 56 104 A H E -AE 4 83A 68 -52,-1.9 -52,-1.2 -2,-0.2 2,-0.4 -0.962 21.2-165.4-132.3 147.9 27.2 80.0 68.3 57 105 A L E -AE 3 82A 1 25,-1.6 25,-2.0 -2,-0.3 2,-0.8 -0.984 15.0-156.3-141.7 127.4 24.1 80.8 70.2 58 106 A L E -AE 2 81A 79 -56,-2.2 -56,-2.3 -2,-0.4 2,-0.5 -0.910 27.6-167.2-100.5 111.1 22.9 84.1 71.8 59 107 A C E - E 0 80A 0 21,-3.8 21,-1.7 -2,-0.8 5,-0.0 -0.881 12.0-143.0-109.1 132.3 20.6 83.0 74.5 60 108 A K > - 0 0 127 -2,-0.5 3,-2.5 19,-0.2 6,-0.2 -0.474 31.2-108.2 -84.4 159.3 18.2 85.2 76.4 61 109 A P G > >S+ 0 0 6 0, 0.0 3,-2.2 0, 0.0 5,-2.2 0.853 119.3 67.8 -52.5 -37.4 17.5 84.7 80.1 62 110 A E G 3 5S+ 0 0 112 1,-0.3 -22,-0.1 3,-0.1 17,-0.1 0.722 109.8 35.5 -57.4 -22.8 14.1 83.5 79.0 63 111 A Y G < 5S+ 0 0 95 -3,-2.5 -22,-2.4 -23,-0.1 -1,-0.3 0.191 127.2 34.9-116.3 13.3 15.9 80.5 77.5 64 112 A A T < 5S- 0 0 21 -3,-2.2 -24,-0.3 -24,-0.2 -4,-0.1 -0.091 125.7 -32.7-131.7-126.4 18.6 80.2 80.1 65 113 A Y T >>5S- 0 0 99 1,-0.2 4,-2.8 13,-0.2 3,-0.7 0.094 78.2-156.8 -92.5 24.9 18.7 80.7 83.9 66 114 A G T 34< - 0 0 22 -5,-2.2 -1,-0.2 1,-0.2 12,-0.2 0.125 53.1 -27.6 39.8-143.6 16.2 83.5 83.7 67 115 A S T 34 S+ 0 0 93 1,-0.2 -1,-0.2 10,-0.1 9,-0.1 0.565 136.6 57.2 -80.8 -12.5 15.9 86.1 86.4 68 116 A A T <4 S- 0 0 77 -3,-0.7 3,-0.4 1,-0.1 -1,-0.2 0.817 85.4-178.1 -86.4 -29.9 17.2 83.9 89.2 69 117 A G < - 0 0 12 -4,-2.8 2,-0.2 7,-0.4 7,-0.2 -0.147 40.9 -80.6 61.4-164.9 20.4 83.2 87.3 70 118 A S B > -L 74 0C 51 4,-2.8 4,-2.2 5,-0.2 -1,-0.2 -0.660 60.6-121.4-136.4 80.3 23.0 80.9 88.8 71 119 A L T 4 S+ 0 0 135 -3,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.354 84.6 18.6 -67.7 144.5 25.0 82.8 91.4 72 120 A P T 4 S+ 0 0 122 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.823 135.8 31.4 -69.1 -48.8 27.9 83.4 91.7 73 121 A K T 4 S+ 0 0 133 -2,-0.2 -2,-0.2 1,-0.1 -4,-0.0 0.838 116.4 44.2 -36.2 -72.2 28.7 82.6 88.0 74 122 A I B < S-L 70 0C 8 -4,-2.2 -4,-2.8 -50,-0.1 -1,-0.1 -0.757 81.0-137.7 -93.8 112.7 25.6 83.5 86.0 75 123 A P > - 0 0 60 0, 0.0 3,-0.7 0, 0.0 -5,-0.2 0.031 28.3 -93.9 -58.0 169.3 24.0 86.9 86.9 76 124 A S T 3 S+ 0 0 64 1,-0.2 -7,-0.4 -7,-0.2 -2,-0.0 0.757 117.5 23.9 -56.0 -44.4 20.2 87.5 87.2 77 125 A N T 3 S+ 0 0 115 -9,-0.1 -1,-0.2 -10,-0.1 -10,-0.1 0.172 89.5 163.8-113.3 17.5 19.2 88.8 83.7 78 126 A A < - 0 0 16 -3,-0.7 2,-0.6 -12,-0.2 -13,-0.2 0.033 29.9-158.9 -44.0 131.1 22.1 87.2 81.9 79 127 A T - 0 0 67 -19,-0.2 2,-0.3 -18,-0.1 -19,-0.2 -0.979 26.6-150.6-110.1 116.0 21.9 86.8 78.2 80 128 A L E - E 0 59A 1 -21,-1.7 -21,-3.8 -2,-0.6 2,-0.4 -0.672 11.6-150.2 -99.0 151.1 24.4 84.0 77.5 81 129 A F E -CE 21 58A 77 -60,-2.5 -60,-1.2 -2,-0.3 2,-0.4 -0.924 17.0-167.7-114.8 140.7 26.6 83.3 74.5 82 130 A F E -CE 20 57A 8 -25,-2.0 -25,-1.6 -2,-0.4 2,-0.6 -0.986 23.0-163.8-136.5 139.3 27.7 79.8 73.6 83 131 A E E -CE 19 56A 69 -64,-2.3 -64,-1.7 -2,-0.4 2,-0.4 -0.984 30.4-172.7-112.0 117.0 30.1 78.1 71.3 84 132 A I E -CE 18 55A 0 -29,-1.6 -29,-1.8 -2,-0.6 2,-0.6 -0.954 18.3-164.2-122.0 133.7 28.9 74.4 71.0 85 133 A E E -CE 17 54A 61 -68,-3.3 -68,-1.4 -2,-0.4 2,-1.1 -0.915 10.4-152.7-117.6 108.3 30.5 71.4 69.3 86 134 A L E +C 16 0A 0 -33,-1.5 -34,-3.0 -2,-0.6 -70,-0.3 -0.656 17.6 176.3 -80.5 100.5 28.3 68.3 68.7 87 135 A L E - 0 0 53 -72,-2.3 2,-0.3 -2,-1.1 -1,-0.2 0.887 57.6 -45.4 -73.0 -40.8 30.7 65.4 68.7 88 136 A D E -C 15 0A 42 -73,-1.3 -73,-2.4 -37,-0.1 2,-0.3 -0.975 50.9-156.2-178.6 171.8 28.3 62.6 68.3 89 137 A F E -C 14 0A 33 -2,-0.3 2,-0.3 -75,-0.2 -75,-0.2 -0.944 5.0-170.2-167.7 147.7 24.9 61.3 69.4 90 138 A K E -C 13 0A 111 -77,-2.1 -77,-3.7 -2,-0.3 -81,-0.1 -0.929 30.4 -91.2-141.0 164.2 22.9 58.1 69.7 91 139 A G - 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