==== 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 18-OCT-99 1D7I . COMPND 2 MOLECULE: PROTEIN (FK506-BINDING PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.BURKHARD,P.TAYLOR,M.D.WALKINSHAW . 214 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 72.9 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 . 76 35.5 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 . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 19 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 1 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 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 . 2 0 2 2 0 4 0 0 2 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 2 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 1 A G 0 0 48 0, 0.0 76,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-168.7 65.3 -18.8 -4.9 2 2 A V E -A 76 0A 30 74,-0.2 2,-0.4 55,-0.1 74,-0.2 -0.841 360.0-154.3-112.2 149.1 66.9 -15.5 -5.9 3 3 A Q E -A 75 0A 80 72,-2.0 72,-1.9 -2,-0.3 2,-0.5 -0.994 10.2-155.8-124.1 125.0 69.4 -15.0 -8.8 4 4 A V E -A 74 0A 41 -2,-0.4 2,-0.5 70,-0.2 70,-0.2 -0.894 10.8-177.7-107.7 127.6 71.8 -12.1 -8.6 5 5 A E E -A 73 0A 55 68,-2.1 68,-2.5 -2,-0.5 2,-0.1 -0.979 26.8-126.6-125.0 120.9 73.4 -10.5 -11.7 6 6 A T E +A 72 0A 88 -2,-0.5 66,-0.2 66,-0.2 64,-0.0 -0.353 28.3 174.0 -68.3 136.9 75.9 -7.7 -11.2 7 7 A I E S+ 0 0 89 64,-2.9 65,-0.2 1,-0.4 -1,-0.2 0.683 79.7 1.6-106.4 -41.7 75.3 -4.5 -13.0 8 8 A S E S-A 71 0A 61 63,-2.2 63,-2.7 61,-0.0 -1,-0.4 -0.971 87.1-109.9-150.7 128.3 78.1 -2.5 -11.5 9 9 A P - 0 0 102 0, 0.0 2,-0.1 0, 0.0 57,-0.0 -0.171 22.5-150.1 -60.8 147.6 80.6 -3.8 -8.9 10 10 A G - 0 0 22 60,-0.1 59,-0.2 61,-0.0 58,-0.1 -0.240 51.6 -69.5 -98.4-161.3 80.8 -2.9 -5.3 11 11 A D - 0 0 64 57,-2.6 58,-0.1 3,-0.2 57,-0.0 0.598 60.5-132.1 -68.9 -11.1 84.0 -2.8 -3.1 12 12 A G S S+ 0 0 54 56,-0.2 -1,-0.1 2,-0.2 3,-0.1 0.503 89.7 56.4 74.2 8.2 84.1 -6.6 -3.3 13 13 A R S S+ 0 0 199 55,-0.2 2,-0.9 1,-0.2 -1,-0.1 0.567 76.9 80.4-143.0 -19.4 84.7 -7.0 0.4 14 14 A T + 0 0 59 54,-0.2 54,-1.9 2,-0.0 -1,-0.2 -0.853 54.8 174.4-101.5 99.7 82.0 -5.3 2.6 15 15 A F - 0 0 78 -2,-0.9 52,-0.2 52,-0.2 49,-0.1 -0.823 35.5-103.9-102.9 141.7 79.0 -7.7 2.8 16 16 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 50,-0.0 -0.415 34.5-156.6 -66.8 142.8 76.0 -7.0 5.0 17 17 A K > - 0 0 130 -2,-0.1 3,-2.1 1,-0.1 33,-0.3 -0.862 34.1 -76.5-119.8 155.0 75.6 -9.0 8.3 18 18 A R T 3 S+ 0 0 147 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.142 117.8 26.4 -48.4 134.0 72.6 -9.8 10.4 19 19 A G T 3 S+ 0 0 36 31,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.297 93.7 119.7 93.7 -11.5 71.5 -6.8 12.5 20 20 A Q < - 0 0 59 -3,-2.1 30,-2.8 30,-0.1 2,-0.6 -0.570 64.8-122.7 -87.2 153.6 72.9 -4.2 10.1 21 21 A T E -B 49 0A 28 86,-2.6 86,-2.3 28,-0.3 2,-0.4 -0.866 23.4-153.8 -97.2 118.7 70.8 -1.6 8.5 22 22 A C E -BC 48 106A 0 26,-2.8 26,-1.7 -2,-0.6 2,-0.6 -0.760 0.6-155.4 -93.0 133.1 71.1 -1.7 4.7 23 23 A V E +BC 47 105A 7 82,-2.0 81,-2.0 -2,-0.4 82,-1.0 -0.959 29.3 162.7-110.5 113.3 70.5 1.6 2.8 24 24 A V E -BC 46 103A 0 22,-2.9 22,-2.8 -2,-0.6 2,-0.4 -0.832 37.4-144.4-131.7 165.8 69.4 0.9 -0.8 25 25 A H E + C 0 102A 29 77,-1.8 77,-2.5 -2,-0.3 2,-0.3 -0.942 35.6 167.6-121.9 142.9 67.8 2.3 -3.9 26 26 A Y E - C 0 101A 19 -2,-0.4 14,-1.0 75,-0.2 13,-0.9 -0.960 31.3-152.7-152.2 170.4 65.6 -0.0 -5.9 27 27 A T E -DC 38 100A 18 73,-0.6 73,-2.0 -2,-0.3 2,-0.4 -0.954 19.3-149.0-148.0 122.7 63.0 -0.4 -8.7 28 28 A G E +DC 37 99A 0 9,-2.5 8,-2.0 -2,-0.3 9,-0.9 -0.806 18.3 179.0 -96.8 142.3 60.6 -3.3 -8.7 29 29 A M E -DC 35 98A 44 69,-1.9 69,-2.2 -2,-0.4 2,-0.2 -0.949 24.3-127.3-139.0 155.4 59.3 -4.8 -12.0 30 30 A L E > - C 0 97A 27 4,-2.0 3,-3.2 -2,-0.3 4,-0.2 -0.625 48.0 -88.8 -95.1 164.5 57.0 -7.6 -12.9 31 31 A E T 3 S+ 0 0 136 65,-0.6 66,-0.1 1,-0.3 -1,-0.1 0.722 128.0 61.0 -44.2 -29.3 58.2 -10.2 -15.5 32 32 A D T 3 S- 0 0 118 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.678 119.6-107.4 -74.8 -17.7 56.8 -8.0 -18.2 33 33 A G S < S+ 0 0 51 -3,-3.2 2,-0.3 1,-0.4 -2,-0.1 0.436 71.9 143.2 103.2 1.9 59.2 -5.2 -17.4 34 34 A K - 0 0 136 -4,-0.2 -4,-2.0 1,-0.1 -1,-0.4 -0.608 49.0-125.8 -80.3 130.1 56.5 -3.0 -15.9 35 35 A K E +D 29 0A 98 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.491 33.3 167.8 -74.9 144.3 57.5 -1.0 -12.8 36 36 A F E + 0 0 46 -8,-2.0 2,-0.3 1,-0.5 -7,-0.1 0.512 66.0 10.8-131.4 -16.8 55.5 -1.3 -9.6 37 37 A D E +D 28 0A 51 -9,-0.9 -9,-2.5 4,-0.0 -1,-0.5 -0.977 57.6 174.7-160.0 153.3 57.6 0.4 -7.0 38 38 A S E >> -D 27 0A 3 -2,-0.3 4,-1.2 -11,-0.2 3,-0.5 -0.597 26.6-165.5-172.4 114.7 60.7 2.6 -6.9 39 39 A S T 34>S+ 0 0 2 -13,-0.9 5,-2.0 1,-0.2 4,-0.4 0.705 96.7 66.5 -68.9 -20.5 62.7 4.5 -4.2 40 40 A R T >45S+ 0 0 69 -14,-1.0 3,-0.8 2,-0.2 -1,-0.2 0.918 98.5 48.7 -67.7 -42.3 64.4 6.3 -7.1 41 41 A D T <45S+ 0 0 111 -3,-0.5 -2,-0.2 1,-0.3 -1,-0.2 0.857 113.0 48.0 -65.8 -34.9 61.1 8.0 -8.1 42 42 A R T 3<5S- 0 0 141 -4,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.564 104.8-138.2 -80.7 -8.9 60.6 9.1 -4.5 43 43 A N T < 5 + 0 0 135 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.873 68.6 107.8 53.6 41.6 64.2 10.2 -4.5 44 44 A K < - 0 0 152 -5,-2.0 -2,-0.2 0, 0.0 -1,-0.2 -0.954 69.5-123.4-149.3 123.4 64.7 8.8 -1.0 45 45 A P - 0 0 44 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 -0.397 24.3-125.5 -69.4 149.7 66.7 5.6 -0.2 46 46 A F E -B 24 0A 72 -22,-2.8 -22,-2.9 -2,-0.1 2,-0.4 -0.759 21.9-158.6 -95.9 142.4 65.0 2.7 1.6 47 47 A K E +B 23 0A 111 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.967 17.2 161.4-125.2 140.6 66.4 1.3 4.8 48 48 A F E -B 22 0A 2 -26,-1.7 -26,-2.8 -2,-0.4 2,-0.5 -0.991 37.2-116.8-154.1 145.8 65.9 -2.1 6.5 49 49 A M E > -B 21 0A 61 -2,-0.3 3,-1.6 -28,-0.2 5,-0.4 -0.737 35.1-120.0 -88.7 124.5 67.7 -4.2 9.1 50 50 A L T 3 S+ 0 0 0 -30,-2.8 -31,-3.0 -2,-0.5 -30,-0.1 -0.394 95.7 20.7 -64.1 131.5 69.0 -7.5 7.7 51 51 A G T 3 S+ 0 0 26 -33,-0.2 -1,-0.2 -32,-0.1 -33,-0.1 0.098 92.4 99.1 98.6 -19.6 67.5 -10.5 9.5 52 52 A K S < S- 0 0 114 -3,-1.6 -2,-0.1 1,-0.1 -3,-0.1 0.200 86.6-126.6 -86.3 16.8 64.3 -8.8 11.0 53 53 A Q + 0 0 168 1,-0.2 4,-0.1 -4,-0.1 -3,-0.1 0.710 67.9 133.4 45.5 32.1 62.1 -10.2 8.2 54 54 A E + 0 0 118 -5,-0.4 2,-0.3 2,-0.1 -1,-0.2 0.333 68.0 39.4 -90.3 5.6 60.8 -6.7 7.3 55 55 A V S S- 0 0 27 -6,-0.1 5,-0.1 1,-0.0 26,-0.0 -0.901 107.4 -68.2-141.0 168.9 61.3 -7.3 3.5 56 56 A I >> - 0 0 18 -2,-0.3 4,-1.7 1,-0.1 3,-1.5 -0.181 45.0-110.7 -63.1 154.6 60.8 -10.3 1.4 57 57 A R H 3> S+ 0 0 151 24,-0.3 4,-1.8 1,-0.3 5,-0.3 0.884 115.7 61.2 -51.2 -45.0 62.9 -13.4 1.8 58 58 A G H 3> S+ 0 0 0 22,-2.7 4,-1.8 1,-0.2 -1,-0.3 0.723 104.5 47.3 -54.9 -32.5 64.5 -12.8 -1.6 59 59 A W H <> S+ 0 0 10 -3,-1.5 4,-2.3 21,-0.3 5,-0.3 0.855 109.7 53.1 -77.8 -41.3 66.0 -9.4 -0.5 60 60 A E H < S+ 0 0 25 -4,-1.7 4,-0.2 1,-0.2 -2,-0.2 0.832 119.0 35.5 -65.3 -28.3 67.3 -10.8 2.7 61 61 A E H < S+ 0 0 74 -4,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.832 121.7 44.4 -93.3 -33.1 69.2 -13.5 0.8 62 62 A G H >< S+ 0 0 0 -4,-1.8 3,-1.7 -5,-0.3 -3,-0.2 0.920 112.3 49.1 -77.3 -46.6 70.1 -11.6 -2.3 63 63 A V G >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.738 101.3 66.6 -66.9 -19.8 71.3 -8.4 -0.6 64 64 A A G 3 S+ 0 0 20 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.575 99.9 51.2 -76.6 -9.3 73.4 -10.5 1.7 65 65 A Q G < S+ 0 0 111 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.2 0.181 96.9 86.6-107.3 6.7 75.6 -11.5 -1.3 66 66 A M < - 0 0 0 -3,-1.2 2,-0.3 4,-0.1 36,-0.0 -0.712 68.2-141.3-104.9 157.0 76.1 -7.9 -2.5 67 67 A S > - 0 0 3 -2,-0.3 3,-2.4 -52,-0.2 36,-0.3 -0.842 40.1 -70.5-116.7 161.5 78.9 -5.6 -1.2 68 68 A V T 3 S+ 0 0 36 -54,-1.9 -57,-2.6 -2,-0.3 -56,-0.2 -0.204 120.4 17.4 -53.1 129.2 78.8 -1.9 -0.5 69 69 A G T 3 S+ 0 0 40 34,-3.0 -1,-0.3 1,-0.3 2,-0.1 0.166 93.1 133.8 94.3 -15.5 78.4 0.2 -3.7 70 70 A Q < - 0 0 16 -3,-2.4 33,-2.9 33,-0.1 2,-0.5 -0.402 41.2-158.4 -72.6 142.3 77.3 -2.7 -5.8 71 71 A R E +AE 8 102A 70 -63,-2.7 -64,-2.9 31,-0.3 -63,-2.2 -0.985 24.1 168.2-118.8 124.8 74.3 -2.4 -8.1 72 72 A A E -AE 6 101A 0 29,-3.1 29,-2.4 -2,-0.5 2,-0.5 -0.887 36.2-124.8-136.9 164.7 72.7 -5.7 -9.0 73 73 A K E -AE 5 100A 75 -68,-2.5 -68,-2.1 -2,-0.3 2,-0.4 -0.969 27.1-158.9-110.4 119.8 69.6 -7.1 -10.7 74 74 A L E -AE 4 99A 0 25,-2.9 25,-2.4 -2,-0.5 2,-0.5 -0.874 6.8-163.0-102.6 134.1 67.7 -9.6 -8.5 75 75 A T E -AE 3 98A 34 -72,-1.9 -72,-2.0 -2,-0.4 2,-0.5 -0.990 18.0-169.7-115.3 113.3 65.4 -12.2 -10.1 76 76 A I E -AE 2 97A 0 21,-3.2 21,-2.0 -2,-0.5 -74,-0.2 -0.932 14.5-135.7-117.5 126.4 63.1 -13.6 -7.3 77 77 A S > - 0 0 26 -76,-1.7 3,-3.1 -2,-0.5 4,-0.4 -0.480 32.3-103.4 -74.7 151.4 60.8 -16.5 -7.5 78 78 A P G > >S+ 0 0 26 0, 0.0 5,-2.3 0, 0.0 3,-2.0 0.790 119.1 59.1 -40.6 -49.0 57.2 -16.4 -6.0 79 79 A D G 3 5S+ 0 0 116 1,-0.3 -22,-0.1 3,-0.2 5,-0.1 0.727 109.9 43.8 -58.6 -20.8 58.1 -18.5 -2.9 80 80 A Y G < 5S+ 0 0 50 -3,-3.1 -22,-2.7 -79,-0.2 -1,-0.3 0.268 124.5 31.8-103.5 1.3 60.7 -15.8 -2.0 81 81 A A T < 5S- 0 0 20 -3,-2.0 -24,-0.3 -4,-0.4 15,-0.1 0.162 128.8 -27.9-120.9-107.7 58.5 -12.8 -2.7 82 82 A Y T >5S- 0 0 94 13,-0.3 4,-1.3 1,-0.2 3,-0.2 0.255 76.5-147.3-106.8 15.4 54.6 -12.7 -2.3 83 83 A G T 4< - 0 0 26 -5,-2.3 11,-1.8 2,-0.2 12,-0.5 -0.153 50.8 -34.5 65.5-152.5 53.5 -16.3 -2.8 84 84 A A T 4 S+ 0 0 58 9,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.848 138.7 49.6 -78.9 -35.8 50.4 -17.8 -4.3 85 85 A T T 4 S- 0 0 108 1,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.690 83.7-176.9 -77.1 -21.0 48.3 -14.9 -2.9 86 86 A G < - 0 0 10 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.1 -0.301 51.5 -69.1 55.1-147.0 50.5 -12.1 -4.2 87 87 A H B >> -F 91 0B 99 4,-2.8 3,-2.5 -4,-0.1 4,-2.4 -0.685 57.4-129.8-140.2 84.1 49.2 -8.7 -3.1 88 88 A P T 34 S+ 0 0 107 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 0.028 91.6 26.2 -37.7 130.4 46.0 -8.2 -5.1 89 89 A G T 34 S+ 0 0 89 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.019 136.0 30.9 99.4 -28.3 45.8 -4.8 -6.8 90 90 A I T <4 S+ 0 0 90 -3,-2.5 -1,-0.1 1,-0.2 -4,-0.1 0.658 119.2 35.0-124.6 -54.9 49.6 -4.6 -7.0 91 91 A I B < S-F 87 0B 11 -4,-2.4 -4,-2.8 -6,-0.1 -1,-0.2 -0.914 73.8-135.2-118.2 117.7 51.3 -8.0 -7.3 92 92 A P > - 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