==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL CYCLE 21-MAY-03 1PE3 . COMPND 2 MOLECULE: TREFOIL FACTOR 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.W.MUSKETT,F.E.MAY,B.R.WESTLEY,J.FEENEY . 118 2 7 6 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 41.5 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 . 4 3.4 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 . 0 0.0 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 . 10 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.4 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 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 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 E 0 0 207 0, 0.0 2,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.5 -15.7 -8.6 -4.3 2 2 1 E - 0 0 159 1,-0.1 3,-0.4 0, 0.0 4,-0.2 -0.666 360.0-126.1 -90.7 82.5 -15.6 -8.9 -0.5 3 3 1 Y S S+ 0 0 73 -2,-1.4 5,-0.2 1,-0.2 -1,-0.1 0.063 80.0 106.5 -30.0 86.4 -12.1 -7.7 0.2 4 4 1 V > + 0 0 95 3,-0.2 3,-1.0 5,-0.0 6,-0.4 0.507 64.3 57.5-136.4 -47.9 -11.1 -10.9 2.1 5 5 1 G T 3 S+ 0 0 65 -3,-0.4 -2,-0.1 1,-0.3 4,-0.0 0.521 120.4 36.7 -68.3 -4.4 -8.9 -12.9 -0.1 6 6 1 L T 3 S+ 0 0 42 -4,-0.2 48,-0.4 46,-0.1 -1,-0.3 0.322 119.5 54.5-125.2 -1.5 -6.7 -9.8 -0.2 7 7 1 S S X> S+ 0 0 29 -3,-1.0 3,-2.9 1,-0.4 4,-0.5 0.007 104.4 1.9-108.5-145.6 -7.3 -8.8 3.4 8 8 1 A T 34 S+ 0 0 61 1,-0.3 -1,-0.4 -5,-0.2 -2,-0.0 -0.028 131.1 26.4 -40.9 142.2 -7.0 -10.5 6.8 9 9 1 N T >4 S+ 0 0 135 -3,-0.1 3,-1.1 1,-0.1 -1,-0.3 -0.097 104.0 85.8 89.9 -34.5 -5.6 -14.0 6.4 10 10 1 Q G X4 S+ 0 0 10 -3,-2.9 3,-2.4 -6,-0.4 -2,-0.2 0.907 81.3 57.8 -62.9 -43.9 -3.9 -12.9 3.1 11 11 1 a G 3< S+ 0 0 28 -4,-0.5 -1,-0.3 1,-0.3 -3,-0.1 0.564 101.7 61.0 -63.4 -6.0 -0.9 -11.7 5.1 12 12 1 A G < S+ 0 0 70 -3,-1.1 -1,-0.3 2,-0.0 -2,-0.2 0.058 80.4 156.1-107.1 21.0 -0.9 -15.3 6.2 13 13 1 V < - 0 0 17 -3,-2.4 -3,-0.0 1,-0.2 -4,-0.0 0.146 62.9-100.6 -40.6 166.4 -0.4 -16.6 2.7 14 14 1 P - 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.409 67.9 -91.9 -74.9 2.9 1.2 -20.0 2.3 15 15 1 A S S+ 0 0 12 31,-0.0 -2,-0.0 27,-0.0 29,-0.0 0.919 115.1 71.3 85.5 52.8 4.4 -18.1 1.5 16 16 1 K S S+ 0 0 174 29,-0.1 29,-0.0 30,-0.1 3,-0.0 0.130 76.6 69.8 172.3 45.1 4.0 -17.9 -2.3 17 17 1 D S S+ 0 0 97 -7,-0.1 2,-0.1 -4,-0.0 -4,-0.0 0.173 73.9 103.3-155.0 11.1 1.3 -15.5 -3.1 18 18 1 R S S- 0 0 30 1,-0.0 31,-0.1 31,-0.0 -7,-0.0 -0.266 71.6-126.6 -92.1-178.4 2.8 -12.2 -2.1 19 19 1 V - 0 0 68 -2,-0.1 30,-0.1 97,-0.1 -1,-0.0 0.063 42.8-122.0-116.3 19.9 4.3 -9.4 -4.3 20 20 1 D - 0 0 98 1,-0.1 29,-0.3 26,-0.1 27,-0.1 0.875 16.2-149.0 34.3 88.3 7.6 -9.4 -2.4 21 21 1 b - 0 0 10 27,-2.7 28,-0.2 16,-0.2 -1,-0.1 0.838 19.4-152.4 -50.6 -34.5 7.6 -5.7 -1.3 22 22 1 G - 0 0 49 26,-1.0 -1,-0.1 1,-0.2 27,-0.1 0.959 22.8-179.3 57.6 56.3 11.3 -6.0 -1.6 23 23 1 Y > - 0 0 25 25,-0.2 3,-1.0 1,-0.1 -1,-0.2 -0.697 34.4-142.8 -91.8 141.2 12.1 -3.4 1.0 24 24 1 P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.574 106.3 43.3 -75.0 -9.9 15.6 -2.4 1.9 25 25 1 H T 3 S+ 0 0 105 2,-0.1 2,-0.3 5,-0.0 6,-0.2 -0.271 79.8 169.3-128.7 44.4 14.4 -2.0 5.5 26 26 1 V < + 0 0 33 -3,-1.0 22,-0.1 4,-0.1 21,-0.0 -0.436 20.5 133.2 -62.8 122.1 12.2 -5.1 5.8 27 27 1 T >>> - 0 0 49 -2,-0.3 2,-2.7 20,-0.1 4,-2.1 -0.961 69.7 -98.1-168.5 154.3 11.3 -5.5 9.4 28 28 1 P T 345S+ 0 0 79 0, 0.0 -2,-0.1 0, 0.0 20,-0.0 -0.286 124.0 30.0 -75.1 55.3 8.3 -6.2 11.7 29 29 1 K T 345S+ 0 0 166 -2,-2.7 -3,-0.1 0, 0.0 0, 0.0 0.176 120.2 48.1-178.4 -26.9 8.0 -2.5 12.4 30 30 1 E T <>5S+ 0 0 92 -3,-0.7 4,-2.1 -5,-0.2 3,-0.3 0.853 114.4 41.8 -95.3 -47.6 9.2 -0.8 9.2 31 31 1 c H X>S+ 0 0 0 -4,-2.1 5,-3.7 2,-0.3 4,-3.6 0.972 116.8 47.5 -63.7 -55.9 7.3 -2.8 6.6 32 32 1 N H 4 - 0 0 76 1,-0.1 3,-0.9 4,-0.1 -2,-0.4 -0.945 63.7-156.7-114.7 129.8 10.2 -18.5 5.7 43 43 1 P T 3 S+ 0 0 108 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.634 98.4 58.3 -75.0 -14.8 13.6 -17.1 4.9 44 44 1 G T 3 S+ 0 0 78 2,-0.1 -3,-0.0 -29,-0.0 -29,-0.0 0.516 101.6 69.0 -90.1 -8.1 13.1 -18.1 1.3 45 45 1 V S < S- 0 0 17 -3,-0.9 2,-0.6 1,-0.0 -5,-0.1 -0.601 102.0 -81.4-106.6 169.1 9.9 -16.1 1.1 46 46 1 P - 0 0 29 0, 0.0 -26,-0.1 0, 0.0 -7,-0.1 -0.610 31.0-165.2 -75.0 114.0 9.3 -12.3 1.1 47 47 1 W S S+ 0 0 103 -2,-0.6 2,-0.2 1,-0.2 -16,-0.1 0.002 82.1 48.3 -86.5 28.7 9.4 -11.1 4.6 48 48 1 c S S+ 0 0 3 -10,-0.2 -27,-2.7 -22,-0.1 -26,-1.0 -0.630 72.9 132.6-170.8 103.8 7.9 -7.9 3.3 49 49 1 F B -A 37 0A 0 -12,-1.6 -12,-2.3 -29,-0.3 -14,-0.1 -0.711 58.4-100.7-140.1-170.1 4.9 -7.8 1.0 50 50 1 K + 0 0 18 -14,-0.2 -14,-0.1 -2,-0.2 4,-0.1 -0.610 61.1 137.6-122.1 68.9 1.5 -6.1 0.5 51 51 1 P S S- 0 0 0 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.903 84.7 -7.3 -75.0 -97.5 -1.0 -8.7 1.8 52 52 1 L S > S+ 0 0 46 1,-0.2 3,-2.2 67,-0.2 -44,-0.2 -0.064 90.3 131.9 -92.4 31.6 -3.7 -7.2 3.9 53 53 1 Q G >> + 0 0 12 64,-0.5 4,-1.6 1,-0.3 3,-0.9 0.745 44.7 94.8 -54.1 -24.0 -2.0 -3.8 3.8 54 54 1 E G 34> + 0 0 35 -3,-0.4 5,-1.0 -48,-0.4 -1,-0.3 0.751 65.7 82.6 -39.2 -28.0 -5.4 -2.5 2.9 55 55 1 A G <45S- 0 0 57 -3,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.935 123.3 -9.9 -41.3 -73.9 -5.5 -1.8 6.6 56 56 1 E T <45S+ 0 0 152 -3,-0.9 -1,-0.2 -4,-0.1 -2,-0.2 -0.010 135.1 68.4-118.2 25.3 -3.6 1.4 6.4 57 57 1 d T <5S+ 0 0 2 -4,-1.6 56,-0.3 -5,-0.1 -3,-0.2 0.810 101.1 37.2-105.0 -64.0 -2.5 1.1 2.8 58 58 1 T T 5 0 0 10 1,-0.2 55,-0.5 55,-0.1 56,-0.2 0.912 360.0 360.0 -55.9 -46.5 -5.6 1.4 0.7 59 59 1 F < 0 0 123 -5,-1.0 -1,-0.2 -4,-0.3 51,-0.1 0.843 360.0 360.0 -32.8 360.0 -7.0 4.1 3.1 60 !* 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 61 1 2 E 0 0 195 0, 0.0 2,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -8.0 -19.7 -0.9 2.1 62 2 2 E > + 0 0 163 1,-0.1 2,-1.5 2,-0.1 3,-0.5 -0.299 360.0 143.5 -88.5 49.6 -18.9 2.7 1.6 63 3 2 Y T 3 + 0 0 127 -2,-1.0 -1,-0.1 1,-0.2 0, 0.0 -0.566 38.9 90.9 -91.0 71.2 -15.7 1.8 -0.3 64 4 2 V T > S+ 0 0 92 -2,-1.5 3,-1.8 3,-0.1 6,-0.3 0.616 77.5 52.4-125.8 -50.6 -15.8 4.6 -2.9 65 5 2 G T < S+ 0 0 27 -3,-0.5 -2,-0.1 1,-0.3 8,-0.1 0.477 122.9 36.9 -70.0 -1.2 -13.8 7.5 -1.4 66 6 2 L T 3 S+ 0 0 51 -4,-0.1 48,-0.3 46,-0.1 -1,-0.3 0.102 108.8 81.2-134.4 16.4 -11.1 4.9 -0.9 67 7 2 S S X S- 0 0 22 -3,-1.8 3,-2.4 1,-0.1 2,-2.0 -0.211 104.6 -39.0-106.9-161.6 -11.6 2.9 -4.1 68 8 2 A T 3 S+ 0 0 81 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 -0.452 133.5 44.1 -66.3 85.2 -10.6 3.4 -7.7 69 9 2 N T > S+ 0 0 87 -2,-2.0 3,-2.2 -4,-0.1 -1,-0.3 0.083 82.6 88.8 166.5 -27.7 -11.2 7.1 -7.8 70 10 2 Q G X S+ 0 0 12 -3,-2.4 3,-1.8 1,-0.3 -2,-0.1 0.818 84.4 62.1 -60.2 -31.9 -9.6 8.4 -4.5 71 11 2 e G 3 S+ 0 0 32 -4,-0.5 -1,-0.3 1,-0.3 -3,-0.1 0.495 107.3 46.4 -72.0 -2.2 -6.4 8.7 -6.4 72 12 2 A G < S+ 0 0 70 -3,-2.2 -1,-0.3 2,-0.0 -2,-0.2 0.225 85.5 142.7-120.2 7.4 -8.3 11.2 -8.5 73 13 2 V S < S- 0 0 18 -3,-1.8 2,-0.1 1,-0.2 -3,-0.1 0.129 74.4 -91.5 -42.7 167.2 -9.8 13.0 -5.5 74 14 2 P - 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.064 66.4-100.0 -75.0 27.8 -10.2 16.8 -5.7 75 15 2 A S S+ 0 0 8 -2,-0.1 -4,-0.0 1,-0.1 32,-0.0 0.974 108.6 79.9 49.9 72.8 -6.8 16.9 -4.2 76 16 2 K S S+ 0 0 168 30,-0.1 -1,-0.1 29,-0.0 3,-0.0 0.224 75.8 62.8 164.9 41.7 -7.9 17.7 -0.6 77 17 2 D S S+ 0 0 103 -7,-0.1 2,-0.1 -4,-0.0 -4,-0.0 0.168 75.1 110.0-161.8 13.2 -9.0 14.4 0.9 78 18 2 R S S- 0 0 32 1,-0.1 31,-0.1 31,-0.0 -19,-0.0 -0.320 72.1-122.9 -90.9 176.5 -5.8 12.4 1.0 79 19 2 V - 0 0 92 -2,-0.1 -1,-0.1 27,-0.1 30,-0.0 0.097 43.7-124.4-105.7 18.5 -3.6 11.3 3.9 80 20 2 D - 0 0 94 1,-0.1 29,-0.3 26,-0.1 27,-0.1 0.874 13.1-144.1 33.6 86.7 -0.6 13.0 2.4 81 21 2 f - 0 0 19 27,-2.6 28,-0.2 16,-0.2 -1,-0.1 0.851 20.2-156.7 -42.4 -40.1 1.7 10.0 2.4 82 22 2 G + 0 0 46 26,-0.9 -1,-0.1 1,-0.2 27,-0.1 0.936 22.3 175.5 58.6 50.5 4.4 12.6 3.2 83 23 2 Y > - 0 0 33 25,-0.2 3,-1.4 1,-0.1 -1,-0.2 -0.743 35.8-147.1 -92.8 135.2 7.2 10.5 1.9 84 24 2 P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.503 105.2 46.6 -75.0 -4.1 10.7 11.8 1.7 85 25 2 H T 3 S+ 0 0 112 2,-0.1 6,-0.2 5,-0.0 5,-0.1 -0.013 80.3 160.2-124.3 25.2 11.2 9.7 -1.4 86 26 2 V < + 0 0 35 -3,-1.4 22,-0.1 4,-0.1 21,-0.0 -0.257 16.1 141.7 -52.5 129.8 7.9 10.7 -3.1 87 27 2 T >>> - 0 0 45 20,-0.1 2,-2.3 0, 0.0 4,-2.1 -0.961 66.0 -98.4-169.2 155.5 8.2 10.0 -6.8 88 28 2 P T 345S+ 0 0 77 0, 0.0 -2,-0.1 0, 0.0 20,-0.0 -0.201 126.2 26.7 -75.0 47.9 6.2 8.7 -9.8 89 29 2 K T 345S+ 0 0 156 -2,-2.3 -3,-0.1 0, 0.0 0, 0.0 0.211 121.5 51.0-178.0 -17.7 7.8 5.3 -9.2 90 30 2 E T <>5S+ 0 0 57 -3,-0.8 4,-2.0 -5,-0.1 3,-0.4 0.820 107.4 48.6-100.3 -46.9 8.6 5.2 -5.5 91 31 2 g H >X>S+ 0 0 0 -4,-2.1 5,-3.4 2,-0.3 4,-2.9 0.967 113.3 47.4 -57.9 -56.2 5.3 6.2 -4.0 92 32 2 N H 34 - 0 0 71 1,-0.1 3,-1.5 4,-0.1 -2,-0.4 -0.931 61.9-175.0-120.8 106.0 -1.7 19.7 -8.1 103 43 2 P T 3 S+ 0 0 103 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.483 85.2 67.9 -75.0 -2.7 1.7 20.8 -6.6 104 44 2 G T 3 S+ 0 0 73 2,-0.1 -3,-0.0 -29,-0.0 -2,-0.0 0.483 102.6 49.0 -92.7 -6.1 -0.3 22.5 -3.9 105 45 2 V S < S- 0 0 26 -3,-1.5 2,-0.5 1,-0.0 -5,-0.1 -0.585 108.0 -62.0-121.5-176.1 -1.5 19.1 -2.5 106 46 2 P - 0 0 26 0, 0.0 3,-0.1 0, 0.0 -26,-0.1 -0.603 34.7-165.6 -75.0 118.7 0.1 15.8 -1.5 107 47 2 W S S+ 0 0 109 -2,-0.5 2,-0.2 1,-0.2 -16,-0.1 -0.010 81.8 49.5 -91.2 28.1 1.8 14.2 -4.5 108 48 2 g S S+ 0 0 3 -10,-0.2 -27,-2.6 -22,-0.1 -26,-0.9 -0.624 73.2 129.9-168.9 101.2 1.9 11.0 -2.5 109 49 2 F B -B 97 0B 0 -12,-1.5 -12,-2.2 -29,-0.3 -14,-0.1 -0.720 61.4 -96.9-140.3-170.9 -1.0 9.6 -0.7 110 50 2 K + 0 0 42 -14,-0.2 -14,-0.1 -2,-0.2 4,-0.1 -0.604 63.8 137.5-116.8 67.9 -3.0 6.4 -0.1 111 51 2 P S S- 0 0 0 0, 0.0 3,-0.3 0, 0.0 2,-0.1 0.845 82.5 -13.9 -75.0-105.6 -5.9 6.9 -2.6 112 52 2 L S > S+ 0 0 45 1,-0.2 3,-2.5 2,-0.1 5,-0.1 -0.203 80.7 148.0 -94.3 40.8 -6.9 3.8 -4.6 113 53 2 Q G >> + 0 0 11 -55,-0.5 4,-2.0 1,-0.3 3,-1.4 0.723 46.1 98.9 -46.9 -22.0 -3.7 2.1 -3.6 114 54 2 E G 34> + 0 0 27 -48,-0.3 5,-0.7 -3,-0.3 -1,-0.3 0.750 56.1 93.2 -37.8 -28.5 -5.9 -1.0 -3.8 115 55 2 A G <45S- 0 0 55 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.1 0.857 122.5 -24.1 -30.4 -70.3 -4.2 -1.2 -7.2 116 56 2 E T <45S+ 0 0 112 -3,-1.4 -1,-0.2 -24,-0.1 -2,-0.2 0.079 132.8 77.5-135.6 19.6 -1.5 -3.5 -5.8 117 57 2 d T <5S+ 0 0 3 -4,-2.0 -64,-0.5 -5,-0.1 -63,-0.3 0.901 97.5 38.2 -92.9 -63.5 -1.6 -2.5 -2.2 118 58 2 T T 5 0 0 6 1,-0.3 -64,-0.2 -65,-0.2 -4,-0.1 0.823 360.0 360.0 -57.0 -33.1 -4.7 -4.3 -0.9 119 59 2 F < 0 0 119 -5,-0.7 -1,-0.3 -67,-0.1 -69,-0.2 0.294 360.0 360.0 -37.1 360.0 -3.7 -7.2 -3.1