==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (KINASE/PEPTIDE) 19-MAY-95 1ABO . COMPND 2 MOLECULE: ABL TYROSINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.MUSACCHIO,M.WILMANNS,M.SARASTE . 136 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 74 54.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 33.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.5 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 . 2 1.5 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 . 2 1.5 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 . 8 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.8 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+4), 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 . 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 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 . 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 PARALLEL BRIDGES PER LADDER . 2 0 4 2 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 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 64 A N 0 0 128 0, 0.0 26,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 72.1 7.5 -8.1 17.8 2 65 A L E +A 26 0A 71 54,-0.5 54,-2.7 24,-0.2 2,-0.3 -0.832 360.0 174.8 -96.5 132.9 4.1 -7.7 16.2 3 66 A F E -AB 25 55A 20 22,-2.5 22,-2.2 -2,-0.4 2,-0.3 -0.803 19.1-142.8-130.1 170.0 2.9 -4.2 15.3 4 67 A V E -AB 24 54A 34 50,-2.1 50,-2.0 -2,-0.3 2,-0.3 -0.985 27.6-105.3-137.4 144.5 -0.0 -2.6 13.5 5 68 A A E - B 0 53A 4 18,-2.3 17,-2.6 -2,-0.3 48,-0.3 -0.556 22.7-168.8 -71.1 131.0 -0.2 0.5 11.3 6 69 A L S S+ 0 0 62 46,-3.2 2,-0.3 -2,-0.3 47,-0.2 0.769 71.1 8.9 -87.5 -33.7 -1.8 3.6 12.9 7 70 A Y S S- 0 0 64 45,-0.9 -1,-0.2 13,-0.1 2,-0.2 -0.936 85.0 -89.0-142.9 168.2 -2.1 5.6 9.7 8 71 A D - 0 0 102 -2,-0.3 2,-0.3 12,-0.1 12,-0.2 -0.489 40.7-177.0 -75.3 147.2 -1.7 5.3 6.0 9 72 A F B -F 19 0B 18 10,-2.1 10,-2.0 -2,-0.2 2,-0.5 -0.969 13.8-148.8-149.2 128.2 1.7 6.0 4.6 10 73 A V - 0 0 112 -2,-0.3 8,-0.1 8,-0.2 7,-0.1 -0.894 23.6-117.0-105.1 130.4 2.7 6.1 0.9 11 74 A A + 0 0 37 -2,-0.5 3,-0.1 5,-0.1 7,-0.1 -0.321 31.8 176.1 -61.9 142.9 6.1 5.1 -0.2 12 75 A S - 0 0 82 1,-0.6 2,-0.1 5,-0.0 -1,-0.1 -0.197 52.5 -68.2-145.6 50.6 8.2 7.7 -1.9 13 76 A G S > S+ 0 0 45 3,-0.2 3,-1.2 1,-0.1 -1,-0.6 -0.377 96.0 88.6 94.5-178.5 11.7 6.4 -2.6 14 77 A D T 3 S- 0 0 74 1,-0.3 33,-0.2 -2,-0.1 108,-0.1 0.819 119.8 -66.4 53.4 35.5 14.6 5.4 -0.3 15 78 A N T 3 S+ 0 0 106 1,-0.2 32,-2.4 31,-0.1 -1,-0.3 0.823 88.8 159.2 57.9 37.7 13.3 1.9 -0.0 16 79 A T B < -c 47 0A 16 -3,-1.2 2,-0.4 30,-0.2 32,-0.2 -0.449 31.4-136.6 -86.5 160.4 10.2 3.0 1.9 17 80 A L - 0 0 21 30,-2.3 2,-0.3 -2,-0.1 29,-0.1 -0.977 10.8-124.7-124.5 134.8 7.1 0.7 2.0 18 81 A S - 0 0 57 -2,-0.4 2,-0.3 -8,-0.1 -8,-0.2 -0.586 33.3-178.1 -77.8 134.2 3.4 1.7 1.6 19 82 A I B -F 9 0B 4 -10,-2.0 -10,-2.1 -2,-0.3 2,-0.4 -0.969 17.7-143.1-134.0 147.7 1.2 0.7 4.6 20 83 A T > - 0 0 89 -2,-0.3 3,-2.2 -12,-0.2 -15,-0.3 -0.885 37.9 -91.9-111.6 143.1 -2.5 1.0 5.3 21 84 A K T 3 S+ 0 0 130 -2,-0.4 -15,-0.2 1,-0.3 3,-0.1 -0.214 113.4 26.2 -50.1 135.6 -4.1 1.7 8.7 22 85 A G T 3 S+ 0 0 48 -17,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.205 88.7 135.6 93.4 -13.1 -4.9 -1.6 10.5 23 86 A E < - 0 0 34 -3,-2.2 -18,-2.3 -19,-0.1 -1,-0.3 -0.479 51.1-130.3 -74.2 134.5 -2.3 -3.6 8.7 24 87 A K E +A 4 0A 119 -20,-0.2 18,-0.4 -2,-0.2 2,-0.3 -0.524 30.1 176.7 -83.1 149.7 -0.1 -6.0 10.7 25 88 A L E -A 3 0A 4 -22,-2.2 -22,-2.5 -2,-0.2 2,-0.5 -0.996 29.5-130.2-154.9 152.0 3.6 -6.0 10.4 26 89 A R E -AD 2 40A 144 14,-2.5 14,-2.0 -2,-0.3 2,-0.5 -0.918 27.6-134.5-103.9 127.5 6.8 -7.6 11.8 27 90 A V E + D 0 39A 13 -26,-1.5 12,-0.2 -2,-0.5 3,-0.1 -0.765 24.6 177.4 -84.7 125.4 9.5 -5.1 12.8 28 91 A L E - 0 0 66 10,-3.5 2,-0.3 -2,-0.5 11,-0.2 0.687 58.2 -43.1 -98.7 -25.6 12.9 -6.3 11.6 29 92 A G E - D 0 38A 10 9,-1.2 9,-2.8 31,-0.0 -1,-0.3 -0.986 48.2-117.2 177.5-177.0 15.0 -3.3 12.8 30 93 A Y E - D 0 37A 49 -2,-0.3 7,-0.2 7,-0.3 2,-0.1 -0.859 25.4-111.6-139.1 166.3 15.5 0.4 13.3 31 94 A N > - 0 0 18 5,-1.6 3,-1.9 -2,-0.3 7,-0.0 -0.379 56.8 -75.5 -90.0-178.1 17.9 3.2 12.1 32 95 A H T 3 S+ 0 0 142 1,-0.3 80,-0.1 -2,-0.1 -1,-0.0 0.710 130.9 29.5 -52.4 -32.5 20.3 4.9 14.5 33 96 A N T 3 S- 0 0 35 56,-0.0 -1,-0.3 3,-0.0 62,-0.1 0.112 106.7-115.3-116.9 21.9 17.7 7.1 16.3 34 97 A G S < S+ 0 0 8 -3,-1.9 55,-0.2 2,-0.1 59,-0.1 0.560 82.3 119.3 59.0 12.0 14.6 4.9 15.9 35 98 A E S S+ 0 0 82 15,-0.1 15,-2.1 1,-0.1 16,-0.4 0.765 73.3 48.6 -75.6 -28.1 12.8 7.3 13.6 36 99 A W E S- E 0 49A 3 13,-0.2 -5,-1.6 14,-0.1 2,-0.4 -0.941 71.3-161.7-115.9 140.7 12.7 4.8 10.8 37 100 A C E -DE 30 48A 0 11,-3.0 11,-2.6 -2,-0.4 2,-0.7 -0.958 15.6-136.9-124.4 130.9 11.6 1.2 11.2 38 101 A E E -DE 29 47A 58 -9,-2.8 -10,-3.5 -2,-0.4 -9,-1.2 -0.834 38.1-179.7 -88.9 119.3 12.4 -1.7 8.8 39 102 A A E -DE 27 46A 0 7,-2.9 7,-2.0 -2,-0.7 2,-0.4 -0.782 29.0-150.6-124.7 161.2 9.2 -3.7 8.4 40 103 A Q E +DE 26 45A 65 -14,-2.0 -14,-2.5 -2,-0.3 5,-0.2 -0.999 24.0 164.2-129.1 127.6 7.7 -6.7 6.7 41 104 A T E > - E 0 44A 12 3,-2.8 3,-0.6 -2,-0.4 -16,-0.1 -0.651 58.3 -86.5-126.1-173.9 4.0 -6.9 5.8 42 105 A K T 3 S+ 0 0 177 -18,-0.4 3,-0.1 1,-0.2 -17,-0.1 0.768 128.1 54.3 -70.4 -19.7 2.1 -9.2 3.4 43 106 A N T 3 S- 0 0 129 1,-0.2 2,-0.3 -25,-0.1 -1,-0.2 0.624 120.5 -81.7 -88.4 -17.4 2.9 -6.7 0.6 44 107 A G E < - E 0 41A 26 -3,-0.6 -3,-2.8 2,-0.1 2,-0.3 -0.997 48.2 -62.4 154.7-156.9 6.7 -6.7 1.1 45 108 A Q E + E 0 40A 123 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.970 59.4 104.8-133.6 149.3 9.6 -5.2 3.1 46 109 A G E - E 0 39A 1 -7,-2.0 -7,-2.9 -2,-0.3 2,-0.3 -0.926 63.4 -52.6 161.6 177.7 10.9 -1.7 3.5 47 110 A W E +cE 16 38A 27 -32,-2.4 -30,-2.3 -2,-0.3 -9,-0.2 -0.567 44.3 172.3 -85.8 138.9 11.1 1.3 5.8 48 111 A V E - E 0 37A 0 -11,-2.6 -11,-3.0 -2,-0.3 2,-0.2 -0.915 43.5 -87.0-136.8 156.0 8.1 3.0 7.5 49 112 A P E > - E 0 36A 0 0, 0.0 3,-1.6 0, 0.0 -13,-0.2 -0.523 27.9-139.9 -68.7 135.2 8.0 5.8 10.2 50 113 A S G > S+ 0 0 27 -15,-2.1 3,-1.3 1,-0.3 -14,-0.1 0.819 102.2 61.4 -63.4 -30.9 8.2 4.4 13.7 51 114 A N G 3 S+ 0 0 41 -16,-0.4 -1,-0.3 1,-0.2 -15,-0.1 0.492 96.0 63.0 -74.8 -1.7 5.6 7.0 14.9 52 115 A Y G < S+ 0 0 16 -3,-1.6 -46,-3.2 -46,-0.1 -45,-0.9 0.307 99.1 59.6-103.1 3.7 3.1 5.4 12.4 53 116 A I E < -B 5 0A 15 -3,-1.3 -48,-0.2 -48,-0.3 -32,-0.0 -0.916 60.0-163.8-131.5 160.1 3.0 2.0 14.1 54 117 A T E -B 4 0A 56 -50,-2.0 -50,-2.1 -2,-0.3 -3,-0.0 -0.996 28.8 -99.3-144.6 143.5 2.1 0.6 17.5 55 118 A P E -B 3 0A 90 0, 0.0 2,-0.5 0, 0.0 -52,-0.3 -0.265 23.3-145.9 -64.9 146.9 2.8 -2.7 19.4 56 119 A V + 0 0 57 -54,-2.7 -54,-0.5 1,-0.0 2,-0.0 -0.983 60.4 64.2-118.3 118.3 0.3 -5.6 19.6 57 120 A N 0 0 153 -2,-0.5 -1,-0.0 -56,-0.1 -55,-0.0 0.168 360.0 360.0 130.5 118.2 0.4 -7.6 22.9 58 121 A S 0 0 195 -2,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.124 360.0 360.0-179.6 360.0 -0.3 -6.9 26.6 59 !* 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 60 64 B N 0 0 126 0, 0.0 26,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 176.0 19.6 -6.2 16.2 61 65 B L E +G 85 0C 67 54,-0.2 54,-2.3 24,-0.2 2,-0.3 -0.693 360.0 159.7 -85.1 121.6 23.4 -6.7 17.1 62 66 B F E -GH 84 114C 19 22,-2.7 22,-2.6 -2,-0.5 2,-0.3 -0.840 28.2-138.1-132.3 168.9 25.2 -3.6 18.4 63 67 B V E -GH 83 113C 32 50,-2.6 50,-2.1 -2,-0.3 2,-0.3 -0.967 24.7-111.5-133.7 143.4 28.3 -2.8 20.4 64 68 B A E - H 0 112C 4 18,-2.4 17,-2.3 -2,-0.3 48,-0.3 -0.586 17.9-166.9 -75.7 137.6 28.9 -0.2 23.2 65 69 B L S S+ 0 0 55 46,-3.2 2,-0.3 -2,-0.3 47,-0.2 0.723 71.8 10.9 -92.0 -28.0 31.1 2.7 22.4 66 70 B Y S S- 0 0 76 45,-0.8 -1,-0.2 13,-0.1 2,-0.2 -0.963 84.3 -90.2-147.9 162.4 31.5 3.9 26.0 67 71 B D - 0 0 105 -2,-0.3 2,-0.3 12,-0.1 12,-0.2 -0.525 41.0-178.3 -73.0 144.9 30.9 2.9 29.6 68 72 B F B -L 78 0D 14 10,-2.2 10,-2.4 -2,-0.2 2,-0.5 -0.985 13.0-150.3-146.3 130.6 27.5 3.9 31.0 69 73 B V - 0 0 109 -2,-0.3 8,-0.1 8,-0.2 7,-0.1 -0.946 25.8-109.0-111.2 130.3 26.3 3.3 34.6 70 74 B A + 0 0 48 -2,-0.5 3,-0.1 5,-0.1 7,-0.1 -0.232 33.5 177.0 -53.4 137.6 22.6 2.8 35.5 71 75 B S - 0 0 79 1,-0.6 -1,-0.1 5,-0.0 2,-0.1 -0.218 53.2 -77.4-139.2 44.8 21.1 5.6 37.4 72 76 B G S > S+ 0 0 43 3,-0.2 3,-0.9 1,-0.1 -1,-0.6 -0.297 95.3 94.0 89.5-177.2 17.4 4.7 37.8 73 77 B D T 3 S- 0 0 74 1,-0.2 33,-0.2 -3,-0.1 60,-0.1 0.854 119.9 -66.9 57.6 36.1 14.5 4.9 35.4 74 78 B N T 3 S+ 0 0 96 1,-0.2 32,-2.5 31,-0.1 -1,-0.2 0.837 89.8 160.0 55.7 38.5 15.2 1.2 34.4 75 79 B T B < -i 106 0C 15 -3,-0.9 2,-0.4 30,-0.3 32,-0.2 -0.476 31.1-135.1 -86.3 161.6 18.6 2.1 32.8 76 80 B L - 0 0 18 30,-2.4 2,-0.3 -2,-0.1 29,-0.1 -0.969 9.2-126.0-125.4 135.5 21.2 -0.6 32.3 77 81 B S + 0 0 56 -2,-0.4 2,-0.3 -8,-0.1 -8,-0.2 -0.588 35.1 174.0 -77.0 137.2 25.0 -0.5 32.9 78 82 B I B -L 68 0D 3 -10,-2.4 -10,-2.2 -2,-0.3 2,-0.3 -0.940 19.7-138.9-140.7 159.0 27.2 -1.3 29.9 79 83 B T > - 0 0 75 -2,-0.3 3,-2.3 -12,-0.2 -15,-0.3 -0.922 36.2 -86.1-122.6 152.1 30.9 -1.3 29.2 80 84 B K T 3 S+ 0 0 155 -2,-0.3 -15,-0.2 1,-0.3 3,-0.1 -0.292 115.2 19.2 -55.4 125.7 32.9 -0.3 26.2 81 85 B G T 3 S+ 0 0 50 -17,-2.3 -1,-0.3 1,-0.3 2,-0.1 0.193 89.8 137.6 97.2 -13.5 33.2 -3.2 23.7 82 86 B E < - 0 0 35 -3,-2.3 -18,-2.4 -19,-0.1 -1,-0.3 -0.391 51.4-127.0 -69.6 139.2 30.2 -5.1 25.1 83 87 B K E -G 63 0C 149 -20,-0.2 2,-0.3 -2,-0.1 18,-0.3 -0.584 31.9-178.7 -84.3 149.5 27.8 -6.7 22.6 84 88 B L E -G 62 0C 4 -22,-2.6 -22,-2.7 -2,-0.2 2,-0.5 -0.996 28.7-130.4-150.1 154.0 24.0 -6.0 22.9 85 89 B R E -GJ 61 99C 150 14,-2.5 14,-2.1 -2,-0.3 2,-0.5 -0.896 26.4-142.1-101.9 128.3 20.7 -6.8 21.4 86 90 B V E + J 0 98C 14 -26,-2.3 12,-0.2 -2,-0.5 3,-0.1 -0.828 21.6 176.9 -94.8 126.9 18.6 -3.7 20.6 87 91 B L E - 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