==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 18-MAR-98 1A7X . COMPND 2 MOLECULE: FKBP12; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.W.SCHULTZ,J.CLARDY . 214 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 72.4 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 . 17 7.9 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 . 17 7.9 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 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 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 49 0, 0.0 76,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-145.1 -5.8 4.6 16.1 2 2 A V E -A 76 0A 25 74,-0.2 2,-0.5 59,-0.1 74,-0.2 -0.988 360.0-154.5-131.8 133.1 -3.8 2.7 13.5 3 3 A Q E -A 75 0A 115 72,-2.2 72,-2.0 -2,-0.4 2,-0.5 -0.949 9.1-159.7-109.3 129.2 -5.2 1.4 10.3 4 4 A V E -A 74 0A 32 -2,-0.5 2,-0.5 70,-0.2 70,-0.2 -0.954 10.9-179.4-111.2 116.0 -3.3 -1.6 8.8 5 5 A E E -A 73 0A 90 68,-2.8 68,-2.6 -2,-0.5 2,-0.2 -0.967 27.9-122.3-117.7 121.0 -3.9 -2.2 5.0 6 6 A T E +A 72 0A 84 -2,-0.5 66,-0.3 66,-0.2 64,-0.0 -0.431 30.1 174.3 -65.7 129.1 -2.1 -5.2 3.4 7 7 A I E S- 0 0 90 64,-3.1 65,-0.2 1,-0.4 -1,-0.2 0.790 83.2 -6.3 -93.7 -49.5 0.3 -4.5 0.5 8 8 A S E S-A 71 0A 46 63,-1.9 63,-2.6 61,-0.0 -1,-0.4 -0.998 87.3-104.8-146.4 141.2 1.4 -8.2 0.4 9 9 A P - 0 0 106 0, 0.0 2,-0.1 0, 0.0 57,-0.0 -0.266 20.0-148.9 -72.8 152.5 0.6 -10.9 2.9 10 10 A G - 0 0 22 60,-0.1 59,-0.2 61,-0.0 58,-0.1 -0.149 52.3 -73.1 -91.4-160.5 2.7 -12.5 5.6 11 11 A D - 0 0 75 57,-2.3 58,-0.1 3,-0.2 57,-0.0 0.546 57.1-128.8 -78.1 -7.1 2.3 -16.1 6.6 12 12 A G S S+ 0 0 52 56,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.601 91.6 55.1 75.5 5.8 -1.0 -15.4 8.5 13 13 A R S S+ 0 0 204 55,-0.2 2,-1.0 1,-0.2 -1,-0.1 0.617 77.4 79.5-143.9 -20.4 0.1 -17.0 11.7 14 14 A T + 0 0 63 54,-0.2 54,-1.8 92,-0.0 -3,-0.2 -0.793 58.2 171.2 -95.3 96.3 3.3 -15.7 13.2 15 15 A F - 0 0 68 -2,-1.0 52,-0.2 52,-0.2 49,-0.1 -0.779 39.4 -96.2-102.2 145.0 2.2 -12.4 15.0 16 16 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.304 40.0-161.6 -60.6 140.1 4.5 -10.4 17.3 17 17 A K > - 0 0 113 1,-0.0 3,-2.4 33,-0.0 33,-0.4 -0.873 33.2 -80.4-119.9 157.7 4.2 -11.0 21.0 18 18 A R T 3 S+ 0 0 200 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.291 118.3 27.5 -58.4 133.6 5.3 -8.9 24.0 19 19 A G T 3 S+ 0 0 49 31,-3.3 -1,-0.3 1,-0.4 2,-0.2 0.284 96.7 112.6 93.7 -6.7 8.9 -9.3 24.7 20 20 A Q < - 0 0 63 -3,-2.4 30,-2.7 30,-0.0 2,-0.5 -0.653 66.3-124.5 -93.7 153.8 9.8 -10.2 21.1 21 21 A T E -B 49 0A 25 28,-0.3 86,-2.1 -2,-0.2 2,-0.4 -0.887 19.1-149.4 -95.3 122.9 12.0 -7.9 18.9 22 22 A C E -BC 48 106A 0 26,-2.8 26,-1.7 -2,-0.5 2,-0.5 -0.779 5.3-158.2 -91.4 132.4 10.4 -7.0 15.5 23 23 A V E +BC 47 105A 7 82,-2.5 81,-2.3 -2,-0.4 82,-1.4 -0.978 26.0 165.6-111.9 118.1 12.8 -6.4 12.7 24 24 A V E -BC 46 103A 0 22,-2.6 22,-2.2 -2,-0.5 2,-0.4 -0.897 36.3-145.4-131.6 157.3 11.3 -4.2 10.0 25 25 A H E + C 0 102A 39 77,-1.6 77,-2.4 -2,-0.3 2,-0.3 -0.975 39.0 159.5-112.6 139.9 12.2 -2.1 6.9 26 26 A Y E - C 0 101A 0 -2,-0.4 13,-1.8 75,-0.2 14,-0.8 -0.988 37.1-147.6-150.8 165.5 10.0 1.0 6.5 27 27 A T E -DC 38 100A 25 73,-1.5 73,-2.2 -2,-0.3 2,-0.4 -0.985 23.0-148.8-129.2 137.8 9.6 4.3 5.0 28 28 A G E -DC 37 99A 0 9,-3.3 8,-2.2 -2,-0.4 9,-1.2 -0.932 17.2-179.9-110.8 134.6 7.7 7.0 7.0 29 29 A M E -DC 35 98A 43 69,-3.2 69,-3.0 -2,-0.4 6,-0.3 -0.943 29.5-123.8-128.2 148.2 5.7 9.8 5.3 30 30 A L E > - C 0 97A 15 4,-2.9 3,-2.4 -2,-0.3 67,-0.2 -0.580 47.1-100.3 -77.4 157.2 3.6 12.7 6.6 31 31 A E T 3 S+ 0 0 103 65,-1.5 66,-0.1 1,-0.3 -1,-0.1 0.618 122.4 66.4 -62.2 -12.2 0.2 12.4 5.1 32 32 A D T 3 S- 0 0 121 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.290 123.4-102.5 -83.8 6.1 1.0 15.0 2.4 33 33 A G S < S+ 0 0 51 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.186 75.5 143.5 95.6 -15.6 3.5 12.5 1.0 34 34 A K - 0 0 98 -5,-0.1 -4,-2.9 1,-0.1 2,-0.3 -0.375 47.5-135.0 -63.7 122.7 6.6 14.2 2.5 35 35 A K E +D 29 0A 84 -6,-0.3 -6,-0.3 -2,-0.2 3,-0.1 -0.601 29.2 172.6 -74.9 130.4 9.1 11.5 3.5 36 36 A F E - 0 0 29 -8,-2.2 2,-0.3 1,-0.4 -7,-0.2 0.600 61.5 -1.1-114.9 -11.4 10.6 12.1 6.9 37 37 A D E -D 28 0A 23 -9,-1.2 -9,-3.3 0, 0.0 -1,-0.4 -0.965 51.1-177.7-170.4 155.1 12.5 8.8 7.6 38 38 A S E -D 27 0A 4 -2,-0.3 4,-0.4 -11,-0.3 3,-0.3 -0.902 24.5-150.2-161.5 132.6 13.4 5.4 6.2 39 39 A S S > >S+ 0 0 0 -13,-1.8 5,-1.3 -2,-0.3 3,-1.1 0.800 99.9 66.6 -71.7 -25.5 15.5 2.4 7.4 40 40 A R G > 5S+ 0 0 71 -14,-0.8 3,-0.9 1,-0.3 -1,-0.2 0.894 96.1 55.1 -62.6 -34.9 16.3 1.6 3.8 41 41 A D G 3 5S+ 0 0 105 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.645 110.5 44.5 -73.6 -19.4 18.3 4.8 3.6 42 42 A R G < 5S- 0 0 62 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.357 104.1-137.3 -96.3 -5.3 20.4 3.7 6.7 43 43 A N T < 5S+ 0 0 142 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.673 72.1 100.3 53.9 26.7 20.6 0.3 5.1 44 44 A K S -B 21 0A 63 -2,-0.3 3,-1.5 -28,-0.3 5,-0.4 -0.851 25.3-121.6-105.0 133.6 10.9 -4.8 21.3 50 50 A L T 3 S+ 0 0 8 -30,-2.7 -31,-3.3 -2,-0.5 -30,-0.0 -0.525 99.5 19.3 -70.0 128.6 7.2 -5.1 22.0 51 51 A G T 3 S+ 0 0 18 -2,-0.3 -1,-0.3 -33,-0.2 -33,-0.1 0.247 92.8 106.4 95.7 -8.5 6.5 -4.1 25.6 52 52 A K S < S- 0 0 72 -3,-1.5 -2,-0.1 1,-0.1 -34,-0.0 0.441 82.0-128.4 -86.9 5.3 9.8 -2.2 26.1 53 53 A Q S S+ 0 0 117 -4,-0.2 -3,-0.1 1,-0.1 -1,-0.1 0.911 73.8 119.0 54.3 41.8 8.1 1.3 25.9 54 54 A E + 0 0 35 -5,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.326 59.2 47.8-122.5 10.0 10.5 2.5 23.3 55 55 A V S S- 0 0 30 -6,-0.1 5,-0.0 -7,-0.0 -2,-0.0 -0.946 91.6 -83.7-142.0 163.8 8.3 3.4 20.2 56 56 A I >> - 0 0 23 -2,-0.3 4,-1.3 1,-0.1 3,-1.0 -0.266 45.6-107.5 -64.8 158.6 5.2 5.4 19.6 57 57 A R H 3> S+ 0 0 137 24,-0.3 4,-2.8 1,-0.3 5,-0.3 0.838 115.7 62.5 -58.6 -39.6 1.9 3.6 20.1 58 58 A G H 3> S+ 0 0 0 22,-2.8 4,-1.8 1,-0.2 -1,-0.3 0.808 102.2 51.5 -57.7 -35.1 1.1 3.3 16.4 59 59 A W H <> S+ 0 0 7 -3,-1.0 4,-2.8 21,-0.3 5,-0.4 0.961 113.0 43.9 -66.2 -48.1 4.2 1.1 15.8 60 60 A E H X S+ 0 0 39 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.927 120.6 39.0 -67.1 -44.3 3.3 -1.3 18.6 61 61 A E H < S+ 0 0 77 -4,-2.8 4,-0.5 2,-0.2 -1,-0.2 0.839 117.8 49.9 -78.0 -28.2 -0.3 -1.6 17.8 62 62 A G H >< S+ 0 0 0 -4,-1.8 3,-1.3 -5,-0.3 -2,-0.2 0.966 114.3 41.9 -70.6 -54.6 0.2 -1.6 14.1 63 63 A V H >< S+ 0 0 0 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.826 103.3 68.2 -64.4 -30.6 3.0 -4.3 14.0 64 64 A A T 3< S+ 0 0 40 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.780 100.3 51.5 -59.6 -22.8 1.1 -6.5 16.5 65 65 A Q T < S+ 0 0 105 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.3 0.400 96.8 84.8 -93.5 2.8 -1.5 -7.0 13.8 66 66 A M < - 0 0 0 -3,-2.0 2,-0.3 -4,-0.1 3,-0.0 -0.749 67.0-140.6-104.9 151.0 1.0 -8.0 11.1 67 67 A S > - 0 0 4 -2,-0.3 3,-2.0 -52,-0.2 36,-0.3 -0.717 43.1 -77.5-105.5 162.0 2.4 -11.6 10.5 68 68 A V T 3 S+ 0 0 35 -54,-1.8 -57,-2.3 1,-0.3 -56,-0.2 -0.344 119.9 24.2 -60.1 137.1 6.0 -12.3 9.5 69 69 A G T 3 S+ 0 0 38 34,-2.8 -1,-0.3 1,-0.3 2,-0.1 0.206 92.7 133.4 92.2 -11.4 6.7 -11.5 5.8 70 70 A Q < - 0 0 15 -3,-2.0 33,-2.5 33,-0.1 2,-0.4 -0.442 41.3-159.5 -76.0 142.8 3.8 -9.0 5.6 71 71 A R E +AE 8 102A 73 -63,-2.6 -64,-3.1 31,-0.2 -63,-1.9 -0.989 24.8 167.2-117.4 133.7 4.1 -5.6 4.0 72 72 A A E -AE 6 101A 0 29,-2.6 29,-3.0 -2,-0.4 2,-0.5 -0.964 39.3-124.4-149.1 156.1 1.5 -3.1 5.0 73 73 A K E -AE 5 100A 87 -68,-2.6 -68,-2.8 -2,-0.3 2,-0.5 -0.916 29.6-163.6-100.1 126.8 0.5 0.5 4.9 74 74 A L E -AE 4 99A 0 25,-2.4 25,-2.6 -2,-0.5 2,-0.5 -0.971 5.6-164.0-113.5 127.4 -0.1 1.8 8.5 75 75 A T E -AE 3 98A 38 -72,-2.0 -72,-2.2 -2,-0.5 2,-0.5 -0.983 11.9-167.0-109.2 123.0 -1.9 5.1 8.9 76 76 A I E -AE 2 97A 0 21,-2.7 21,-2.4 -2,-0.5 -74,-0.2 -0.947 13.6-138.3-118.8 118.1 -1.5 6.5 12.5 77 77 A S > - 0 0 27 -76,-2.3 3,-2.4 -2,-0.5 6,-0.2 -0.348 33.8-103.8 -69.1 161.3 -3.6 9.3 13.9 78 78 A P G > >S+ 0 0 28 0, 0.0 3,-2.2 0, 0.0 5,-2.1 0.858 119.9 61.7 -59.8 -36.1 -1.7 12.0 16.0 79 79 A D G 3 5S+ 0 0 116 1,-0.3 -22,-0.1 3,-0.1 17,-0.1 0.622 107.2 44.8 -68.1 -9.5 -2.9 10.6 19.3 80 80 A Y G < 5S+ 0 0 35 -3,-2.4 -22,-2.8 -79,-0.2 -1,-0.3 0.140 125.9 30.4-110.6 12.1 -1.2 7.3 18.5 81 81 A A T < 5S- 0 0 19 -3,-2.2 -24,-0.3 -24,-0.2 15,-0.1 0.079 129.7 -32.0-135.5-112.8 2.0 9.1 17.4 82 82 A Y T >>5S- 0 0 86 13,-0.3 4,-1.8 1,-0.2 3,-1.0 0.376 76.1-165.0-106.9 5.8 3.6 12.4 18.5 83 83 A G T 34< - 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