==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 31-JAN-12 4DIP . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KROJER,W.KIYANI,S.GOUBIN,J.R.C.MUNIZ,P.FILIPPAKOPOULOS, . 1201 10 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62257.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 767 63.9 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 . 380 31.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 0.8 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 . 10 0.8 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 . 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 . 89 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.1 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 10 0 10 0 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 . 10 0 10 10 10 10 0 0 0 10 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 10 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 18 A M > 0 0 189 0, 0.0 3,-1.9 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 90.1 -48.8 22.8 -61.6 2 19 A G G > + 0 0 57 1,-0.3 3,-1.7 2,-0.2 0, 0.0 0.723 360.0 73.1 -47.9 -33.1 -45.2 22.9 -62.9 3 20 A A G 3 S+ 0 0 92 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.774 97.0 48.6 -61.4 -26.5 -45.5 26.5 -63.9 4 21 A L G < S+ 0 0 150 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.269 87.1 99.7 -96.5 6.3 -45.4 27.5 -60.1 5 22 A I < - 0 0 123 -3,-1.7 2,-0.0 -4,-0.1 -3,-0.0 -0.874 67.5-142.6 -96.1 118.1 -42.3 25.4 -59.3 6 23 A P - 0 0 110 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.326 22.7 -98.6 -76.3 159.0 -39.2 27.6 -59.2 7 24 A E - 0 0 158 1,-0.1 0, 0.0 -2,-0.0 0, 0.0 -0.508 52.3 -89.5 -67.5 143.4 -35.7 26.4 -60.4 8 25 A P + 0 0 55 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.337 57.3 179.9 -53.2 137.8 -33.4 25.3 -57.6 9 26 A E - 0 0 146 -3,-0.1 2,-0.2 78,-0.0 83,-0.1 -0.997 26.9-119.6-148.0 140.3 -31.4 28.2 -56.4 10 27 A V - 0 0 9 -2,-0.3 2,-0.5 78,-0.1 78,-0.2 -0.544 21.7-134.4 -74.4 142.6 -28.8 28.8 -53.7 11 28 A K E -A 87 0A 115 76,-2.3 76,-2.3 -2,-0.2 2,-0.5 -0.897 22.8-157.8 -92.8 128.9 -29.4 31.3 -50.8 12 29 A I E -A 86 0A 75 -2,-0.5 2,-0.5 74,-0.2 74,-0.2 -0.932 12.7-178.0-111.2 124.7 -26.5 33.5 -50.4 13 30 A E E -A 85 0A 70 72,-2.8 72,-2.8 -2,-0.5 2,-0.7 -0.990 22.0-139.9-117.8 132.2 -25.8 35.3 -47.1 14 31 A V E +A 84 0A 76 -2,-0.5 70,-0.2 70,-0.2 3,-0.1 -0.778 22.9 176.7 -90.8 114.3 -22.9 37.6 -46.7 15 32 A L E + 0 0 59 68,-2.3 2,-0.3 -2,-0.7 69,-0.2 0.835 69.8 7.2 -87.1 -36.7 -21.4 37.0 -43.3 16 33 A Q E +A 83 0A 132 67,-1.6 67,-2.3 2,-0.0 -1,-0.3 -0.990 61.5 176.0-145.4 137.3 -18.4 39.3 -43.5 17 34 A K - 0 0 144 -2,-0.3 65,-0.1 65,-0.2 64,-0.1 -0.965 25.5-131.8-141.9 124.4 -17.4 41.9 -46.2 18 35 A P - 0 0 37 0, 0.0 64,-0.0 0, 0.0 61,-0.0 -0.345 18.1-123.7 -70.5 158.0 -14.4 44.2 -45.9 19 36 A F S S+ 0 0 121 -2,-0.0 2,-0.3 1127,-0.0 1187,-0.0 0.890 95.6 73.8 -62.6 -40.4 -14.7 47.9 -46.6 20 37 A I + 0 0 29 1126,-0.1 2,-0.3 60,-0.0 1126,-0.1 -0.587 54.5 168.0 -76.1 137.2 -11.9 47.4 -49.2 21 38 A a + 0 0 23 -2,-0.3 3,-0.1 1,-0.1 60,-0.0 -0.810 11.6 161.8-147.8 111.4 -12.6 45.8 -52.5 22 39 A H S S+ 0 0 99 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.639 74.0 11.1 -91.1 -21.3 -10.0 46.0 -55.4 23 40 A R - 0 0 87 57,-0.1 57,-0.5 54,-0.0 2,-0.4 -0.973 61.1-149.6-163.4 138.9 -11.4 43.1 -57.4 24 41 A K - 0 0 120 -2,-0.3 55,-0.2 55,-0.1 53,-0.1 -0.923 35.5 -96.8-118.1 146.8 -14.4 40.8 -57.6 25 42 A T + 0 0 7 53,-2.0 52,-2.3 -2,-0.4 2,-0.3 -0.273 44.1 174.4 -65.9 143.4 -14.5 37.3 -58.8 26 43 A K > - 0 0 116 50,-0.2 3,-2.2 51,-0.1 36,-0.3 -0.908 44.7 -59.4-139.7 168.3 -15.6 36.5 -62.4 27 44 A G T 3 S+ 0 0 57 -2,-0.3 36,-0.2 1,-0.3 93,-0.1 -0.143 121.9 20.7 -56.3 133.7 -15.8 33.4 -64.5 28 45 A G T 3 S+ 0 0 29 34,-3.2 -1,-0.3 1,-0.3 35,-0.1 0.197 89.8 133.6 90.5 -15.3 -12.4 31.7 -65.0 29 46 A D < - 0 0 3 -3,-2.2 33,-2.5 90,-0.1 2,-0.5 -0.370 56.7-126.3 -62.9 144.8 -10.8 33.3 -61.9 30 47 A L E -BC 61 118A 45 88,-2.9 88,-2.6 31,-0.2 2,-0.5 -0.847 27.1-161.0 -91.3 128.6 -8.8 31.1 -59.5 31 48 A M E -BC 60 117A 0 29,-3.1 29,-2.5 -2,-0.5 2,-0.8 -0.964 12.5-149.4-117.3 126.4 -10.1 31.5 -55.9 32 49 A L E +BC 59 116A 0 84,-2.7 83,-3.3 -2,-0.5 84,-1.0 -0.839 36.3 173.0 -92.8 117.3 -8.2 30.5 -52.9 33 50 A V E -BC 58 114A 0 25,-2.9 25,-2.5 -2,-0.8 2,-0.4 -0.900 36.7-153.7-131.8 148.5 -10.8 29.5 -50.3 34 51 A H E + C 0 113A 2 79,-1.9 79,-2.5 -2,-0.3 2,-0.3 -0.907 32.2 177.2-101.4 145.8 -11.3 28.0 -46.9 35 52 A Y E - C 0 112A 31 -2,-0.4 14,-2.2 77,-0.2 15,-0.5 -0.993 27.9-158.6-146.8 158.3 -14.7 26.3 -46.5 36 53 A E E -DC 48 111A 29 75,-1.9 75,-2.2 -2,-0.3 2,-0.4 -0.991 16.7-160.0-127.3 131.5 -16.8 24.4 -44.1 37 54 A G E +DC 47 110A 0 10,-3.2 9,-2.9 -2,-0.4 10,-1.6 -0.937 13.8 177.5-115.5 130.5 -19.6 22.2 -45.4 38 55 A Y E -DC 45 109A 55 71,-3.0 71,-2.8 -2,-0.4 2,-0.5 -0.932 34.3-110.4-125.9 155.5 -22.5 21.1 -43.2 39 56 A L E > - C 0 108A 12 5,-2.6 4,-2.1 -2,-0.3 3,-0.3 -0.680 23.8-145.1 -80.3 131.0 -25.6 19.2 -43.6 40 57 A E T 4 S+ 0 0 96 67,-2.7 -1,-0.1 -2,-0.5 68,-0.1 0.887 91.5 65.1 -65.0 -34.4 -28.6 21.5 -43.1 41 58 A K T 4 S+ 0 0 138 66,-0.5 447,-0.3 1,-0.2 -1,-0.2 0.862 126.9 5.0 -61.4 -44.6 -30.8 18.9 -41.4 42 59 A D T 4 S- 0 0 48 -3,-0.3 -1,-0.2 445,-0.1 448,-0.2 0.373 94.1-120.7-120.3 0.7 -28.6 18.6 -38.3 43 60 A G < + 0 0 39 -4,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.559 58.4 155.2 74.5 6.7 -25.9 21.2 -38.8 44 61 A S - 0 0 31 -5,-0.3 -5,-2.6 1,-0.1 2,-0.4 -0.443 47.0-113.2 -75.1 143.4 -23.2 18.6 -38.7 45 62 A L E +D 38 0A 64 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.551 35.8 170.0 -72.2 127.1 -19.9 19.2 -40.4 46 63 A F E + 0 0 7 -9,-2.9 2,-0.3 -2,-0.4 -8,-0.2 0.689 67.4 0.4-105.9 -28.3 -19.2 16.8 -43.4 47 64 A H E +D 37 0A 70 -10,-1.6 -10,-3.2 54,-0.0 -1,-0.3 -0.914 60.6 165.2-161.6 136.1 -16.1 18.4 -44.9 48 65 A S E > -D 36 0A 3 -2,-0.3 4,-2.7 -12,-0.2 5,-0.5 -0.994 40.3-130.4-147.6 155.1 -13.8 21.4 -44.3 49 66 A T H > S+ 0 0 1 -14,-2.2 4,-1.5 -2,-0.3 6,-1.2 0.906 111.4 55.2 -64.7 -39.5 -10.4 22.6 -45.3 50 67 A H H 4>S+ 0 0 70 -15,-0.5 5,-0.6 5,-0.2 -1,-0.2 0.932 122.8 23.6 -61.5 -46.7 -9.6 23.1 -41.7 51 68 A K H 45S+ 0 0 67 3,-0.1 3,-0.4 1,-0.1 -2,-0.2 0.874 133.9 31.8 -88.4 -41.0 -10.4 19.5 -40.6 52 69 A H H <5S+ 0 0 76 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.505 117.5 50.2-105.1 -4.7 -10.0 17.4 -43.9 53 70 A N T ><5S- 0 0 57 -4,-1.5 3,-2.2 -5,-0.5 -1,-0.2 -0.071 115.2 -99.9-121.4 36.5 -7.2 19.3 -45.7 54 71 A N T 3 5S- 0 0 136 -3,-0.4 -4,-0.2 1,-0.3 -3,-0.1 0.824 78.5 -59.9 57.4 32.3 -4.6 19.6 -42.9 55 72 A G T 3 -B 30 0A 20 -2,-0.4 3,-0.6 -31,-0.2 5,-0.5 -0.840 26.7-133.7 -92.9 120.0 -11.9 27.9 -60.6 62 79 A L T 3 S+ 0 0 1 -33,-2.5 -34,-3.2 -2,-0.6 -33,-0.1 -0.532 73.9 11.3 -74.4 137.7 -15.1 29.9 -60.8 63 80 A G T 3 S+ 0 0 46 -2,-0.2 -1,-0.2 -36,-0.2 -36,-0.1 0.641 95.3 92.4 83.9 18.1 -17.7 29.3 -63.5 64 81 A I S < S- 0 0 100 -3,-0.6 -2,-0.1 -37,-0.0 -1,-0.1 0.107 97.6-108.8-124.4 17.0 -16.6 26.1 -65.2 65 82 A L + 0 0 112 3,-0.1 4,-0.1 1,-0.1 -3,-0.1 0.886 67.2 149.7 52.0 44.6 -18.7 23.6 -63.2 66 83 A E S S- 0 0 99 -5,-0.5 2,-0.1 2,-0.1 -1,-0.1 0.762 71.6 -2.7 -71.3 -31.4 -15.5 22.4 -61.5 67 84 A A S S- 0 0 52 1,-0.3 2,-0.1 -6,-0.2 -7,-0.0 -0.248 119.0 -8.9-131.4-134.1 -17.4 21.5 -58.3 68 85 A L >> - 0 0 18 1,-0.1 4,-1.4 -2,-0.1 3,-0.9 -0.410 56.4-128.5 -71.4 145.3 -20.9 21.9 -57.1 69 86 A K H 3> S+ 0 0 117 24,-0.3 4,-1.8 1,-0.2 24,-0.2 0.865 110.0 62.3 -56.1 -38.0 -23.3 23.9 -59.2 70 87 A G H 3> S+ 0 0 0 22,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.784 98.0 55.8 -61.4 -32.2 -24.2 25.8 -56.0 71 88 A W H <> S+ 0 0 11 -3,-0.9 4,-1.5 21,-0.3 -1,-0.2 0.908 106.8 48.8 -63.0 -46.1 -20.6 27.0 -55.8 72 89 A D H < S+ 0 0 22 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.884 116.8 43.3 -61.3 -38.6 -20.8 28.5 -59.3 73 90 A Q H < S+ 0 0 73 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.787 120.4 41.3 -73.8 -30.7 -24.1 30.2 -58.4 74 91 A G H < S+ 0 0 0 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.539 106.2 57.0-101.6 -8.1 -22.9 31.4 -54.9 75 92 A L S >< S+ 0 0 0 -4,-1.5 3,-0.6 -3,-0.1 2,-0.2 0.179 73.0 117.0-117.9 19.7 -19.3 32.6 -55.4 76 93 A K T 3 S+ 0 0 130 -3,-0.3 -50,-0.2 1,-0.2 -51,-0.0 -0.543 76.3 16.2 -85.7 148.4 -19.6 35.4 -58.1 77 94 A G T 3 S+ 0 0 32 -52,-2.3 2,-0.3 1,-0.2 -1,-0.2 0.761 89.5 151.3 66.4 28.3 -18.7 39.0 -57.5 78 95 A M < - 0 0 0 -3,-0.6 -53,-2.0 4,-0.0 2,-0.3 -0.696 32.7-147.1 -99.0 143.2 -16.8 38.1 -54.3 79 96 A a > - 0 0 5 -2,-0.3 3,-2.3 -55,-0.2 35,-0.3 -0.758 32.8 -86.3-106.8 156.1 -13.9 40.1 -52.8 80 97 A V T 3 S+ 0 0 54 -57,-0.5 35,-0.2 -2,-0.3 3,-0.1 -0.338 117.4 26.7 -58.4 134.8 -10.9 39.0 -50.9 81 98 A G T 3 S+ 0 0 15 33,-3.0 -1,-0.3 1,-0.4 2,-0.1 0.207 91.8 129.4 91.7 -11.4 -11.8 38.9 -47.2 82 99 A E < - 0 0 6 -3,-2.3 32,-2.5 32,-0.1 2,-0.4 -0.496 41.8-160.9 -75.2 144.9 -15.4 38.2 -47.9 83 100 A K E -AE 16 113A 40 -67,-2.3 -68,-2.3 30,-0.2 -67,-1.6 -0.998 10.2-173.1-127.7 127.6 -17.1 35.3 -46.1 84 101 A R E -AE 14 112A 23 28,-2.5 28,-2.8 -2,-0.4 2,-0.5 -0.941 19.0-146.1-122.1 148.5 -20.4 33.9 -47.5 85 102 A K E -AE 13 111A 49 -72,-2.8 -72,-2.8 -2,-0.4 2,-0.5 -0.961 19.0-164.2-109.1 123.7 -22.9 31.3 -46.3 86 103 A L E -AE 12 110A 0 24,-2.8 24,-2.5 -2,-0.5 2,-0.6 -0.974 11.4-160.2-108.6 128.4 -24.5 29.3 -49.0 87 104 A I E -AE 11 109A 29 -76,-2.3 -76,-2.3 -2,-0.5 22,-0.2 -0.954 22.3-168.1-104.1 114.4 -27.6 27.2 -48.4 88 105 A I E - 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