==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (TRANSFERASE/PEPTIDE) 28-APR-98 1BBZ . COMPND 2 MOLECULE: ABL TYROSINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.T.PISABARRO,L.SERRANO,M.WILMANNS . 272 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 56.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 33.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 4 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 . 4 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 . 13 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.6 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 . 4 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 . 4 0 8 4 1 3 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 4 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 N 0 0 96 0, 0.0 26,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-144.0 -0.2 16.2 18.4 2 2 A L E -A 26 0A 75 54,-0.1 54,-2.4 24,-0.1 2,-0.3 -0.844 360.0-175.7-108.4 136.3 -2.2 17.5 15.4 3 3 A F E -AB 25 55A 8 22,-3.1 22,-2.4 -2,-0.4 2,-0.4 -0.748 12.9-144.1-118.3 167.4 -2.8 21.1 14.3 4 4 A V E -AB 24 54A 26 50,-3.1 50,-1.9 -2,-0.3 2,-0.4 -0.990 24.1-111.4-134.8 140.5 -4.8 22.7 11.6 5 5 A A E - B 0 53A 3 18,-2.2 17,-2.8 15,-0.4 48,-0.3 -0.590 18.8-164.6 -73.4 129.6 -4.0 25.7 9.5 6 6 A L S S+ 0 0 31 46,-3.4 2,-0.3 -2,-0.4 47,-0.2 0.787 74.1 12.0 -80.5 -31.9 -6.2 28.8 10.2 7 7 A Y S S- 0 0 68 45,-0.9 2,-0.2 13,-0.1 -1,-0.2 -0.939 87.1 -89.8-142.1 166.4 -5.2 30.6 7.0 8 8 A D - 0 0 95 -2,-0.3 2,-0.4 12,-0.1 12,-0.2 -0.514 38.1-175.3 -76.4 143.5 -3.4 30.0 3.7 9 9 A F B -F 19 0B 3 10,-2.5 10,-2.3 -2,-0.2 2,-0.5 -0.984 13.6-147.3-144.0 124.9 0.3 30.6 3.7 10 10 A V - 0 0 76 -2,-0.4 8,-0.1 8,-0.2 187,-0.1 -0.849 25.8-111.2 -99.9 127.4 2.3 30.4 0.5 11 11 A A - 0 0 40 -2,-0.5 3,-0.1 1,-0.1 7,-0.1 -0.249 28.0-173.8 -55.8 138.4 6.0 29.1 0.7 12 12 A S - 0 0 12 1,-0.6 -1,-0.1 129,-0.1 5,-0.1 -0.236 44.1-101.9-129.5 41.4 8.6 31.8 -0.0 13 13 A G S > S+ 0 0 46 3,-0.2 3,-1.1 1,-0.1 -1,-0.6 -0.191 87.9 103.6 66.5-166.1 11.8 29.8 -0.0 14 14 A D T 3 S- 0 0 72 1,-0.2 33,-0.1 -3,-0.1 -1,-0.1 0.857 120.5 -58.7 59.0 34.2 14.2 29.9 3.0 15 15 A N T 3 S+ 0 0 127 1,-0.2 32,-2.4 45,-0.1 -1,-0.2 0.687 98.1 147.5 70.1 21.7 12.9 26.4 4.0 16 16 A T B < -c 47 0A 18 -3,-1.1 2,-0.4 30,-0.3 -1,-0.2 -0.457 36.1-144.7 -86.0 162.7 9.3 27.5 4.3 17 17 A L - 0 0 17 30,-2.1 2,-0.2 -2,-0.1 29,-0.1 -0.989 13.7-123.7-129.9 135.0 6.3 25.2 3.5 18 18 A S - 0 0 54 -2,-0.4 2,-0.3 -8,-0.1 -8,-0.2 -0.545 30.2-173.6 -76.5 142.7 3.0 26.2 1.9 19 19 A I B -F 9 0B 5 -10,-2.3 -10,-2.5 -2,-0.2 2,-0.4 -0.994 14.0-140.6-138.3 142.5 -0.1 25.3 4.0 20 20 A T > - 0 0 84 -2,-0.3 3,-2.9 -12,-0.2 -15,-0.4 -0.844 34.5 -94.8-106.0 141.0 -3.8 25.5 3.1 21 21 A K T 3 S+ 0 0 144 -2,-0.4 -15,-0.2 1,-0.3 3,-0.1 -0.238 115.3 21.9 -50.4 133.0 -6.6 26.7 5.5 22 22 A G T 3 S+ 0 0 46 -17,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.270 91.7 133.5 90.3 -13.2 -8.1 23.5 7.0 23 23 A E < - 0 0 23 -3,-2.9 -18,-2.2 -18,-0.1 -1,-0.3 -0.504 52.6-129.9 -74.0 137.9 -5.0 21.4 6.3 24 24 A K E +A 4 0A 111 -20,-0.2 18,-0.3 -2,-0.2 2,-0.3 -0.618 32.8 170.7 -88.6 149.5 -3.8 19.2 9.2 25 25 A L E -A 3 0A 2 -22,-2.4 -22,-3.1 -2,-0.2 2,-0.4 -0.990 32.7-121.7-156.1 159.6 -0.2 19.2 10.3 26 26 A R E -AD 2 40A 136 14,-2.7 14,-1.9 -2,-0.3 2,-0.6 -0.861 25.3-138.7-103.8 133.8 2.3 18.0 12.9 27 27 A V E + D 0 39A 22 -26,-0.6 12,-0.2 -2,-0.4 3,-0.1 -0.897 23.0 175.7 -97.0 120.9 4.4 20.6 14.8 28 28 A L E - 0 0 81 10,-3.3 2,-0.3 -2,-0.6 11,-0.1 0.513 57.5 -43.2-100.4 -11.6 8.0 19.5 15.2 29 29 A G E - D 0 38A 24 9,-0.7 9,-2.5 5,-0.0 -1,-0.3 -0.957 50.3-109.2 165.8 179.8 9.5 22.6 16.8 30 30 A Y E - D 0 37A 72 -2,-0.3 7,-0.2 7,-0.3 2,-0.1 -0.916 25.8-115.0-136.5 158.0 9.9 26.4 16.9 31 31 A N > - 0 0 18 5,-2.0 3,-2.0 -2,-0.3 7,-0.0 -0.293 53.6 -76.9 -83.3 179.9 12.5 29.0 16.1 32 32 A H T 3 S+ 0 0 165 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.823 130.1 33.3 -45.9 -49.3 14.2 31.2 18.8 33 33 A N T 3 S- 0 0 70 1,-0.0 -1,-0.3 99,-0.0 -2,-0.0 0.175 106.4-117.4 -97.8 14.4 11.3 33.7 19.2 34 34 A G S < S+ 0 0 11 -3,-2.0 -2,-0.1 2,-0.1 16,-0.1 0.429 84.3 115.4 68.0 -3.5 8.4 31.2 18.6 35 35 A E S S+ 0 0 72 15,-0.1 15,-2.2 14,-0.1 16,-0.4 0.713 73.6 43.1 -69.1 -25.7 7.2 33.2 15.5 36 36 A W E S- E 0 49A 1 13,-0.3 -5,-2.0 14,-0.1 2,-0.4 -0.945 71.0-162.1-121.9 146.3 8.0 30.3 13.1 37 37 A C E -DE 30 48A 0 11,-2.8 11,-2.0 -2,-0.4 2,-0.7 -0.974 23.4-119.2-133.9 143.3 7.3 26.7 13.6 38 38 A E E -DE 29 47A 41 -9,-2.5 -10,-3.3 -2,-0.4 -9,-0.7 -0.726 40.7-169.5 -80.3 113.2 8.6 23.5 11.9 39 39 A A E -DE 27 46A 0 7,-2.9 7,-1.6 -2,-0.7 2,-0.4 -0.699 18.1-161.9-108.0 154.5 5.6 21.8 10.3 40 40 A Q E +DE 26 45A 81 -14,-1.9 -14,-2.7 -2,-0.3 2,-0.2 -0.993 22.2 155.2-134.1 126.3 5.1 18.4 8.6 41 41 A T E > - E 0 44A 15 3,-2.8 3,-1.2 -2,-0.4 -16,-0.1 -0.678 63.9 -80.6-129.4-170.1 2.2 17.7 6.4 42 42 A K T 3 S+ 0 0 139 -18,-0.3 3,-0.1 1,-0.3 -17,-0.1 0.498 129.8 58.0 -74.1 -5.8 1.5 15.2 3.5 43 43 A N T 3 S- 0 0 122 1,-0.4 2,-0.3 -25,-0.1 -1,-0.3 0.453 117.8-101.2-101.2 -9.3 3.5 17.7 1.4 44 44 A G E < - E 0 41A 30 -3,-1.2 -3,-2.8 -27,-0.1 -1,-0.4 -0.885 48.8 -46.9 128.0-154.8 6.7 17.6 3.4 45 45 A Q E + E 0 40A 110 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.850 58.2 121.9-123.4 156.1 8.3 19.8 6.0 46 46 A G E - E 0 39A 3 -7,-1.6 -7,-2.9 -2,-0.3 -30,-0.3 -0.910 57.3 -67.8 165.9 167.9 9.1 23.5 6.3 47 47 A W E +cE 16 38A 32 -32,-2.4 -30,-2.1 -2,-0.3 -9,-0.2 -0.565 44.5 174.7 -81.8 140.6 8.6 26.6 8.4 48 48 A V E - E 0 37A 2 -11,-2.0 -11,-2.8 -2,-0.2 2,-0.2 -0.925 43.8 -83.5-138.1 154.9 5.1 28.2 8.7 49 49 A P E > - E 0 36A 0 0, 0.0 3,-1.5 0, 0.0 -13,-0.3 -0.471 32.9-140.1 -62.3 134.9 3.9 31.1 10.9 50 50 A S G > S+ 0 0 1 -15,-2.2 3,-1.5 1,-0.3 84,-1.0 0.892 101.3 55.6 -64.3 -36.5 3.1 29.9 14.4 51 51 A N G 3 S+ 0 0 47 -16,-0.4 -1,-0.3 82,-0.3 82,-0.1 0.390 95.1 68.9 -78.3 5.0 0.0 32.2 14.6 52 52 A Y G < S+ 0 0 10 -3,-1.5 -46,-3.4 -46,-0.1 -45,-0.9 0.411 97.3 60.4 -96.2 -4.0 -1.4 30.6 11.4 53 53 A I E < +B 5 0A 1 -3,-1.5 81,-1.9 -48,-0.3 -48,-0.2 -0.868 55.3 177.5-126.1 158.1 -2.0 27.3 13.1 54 54 A T E -B 4 0A 5 -50,-1.9 -50,-3.1 -2,-0.3 3,-0.1 -0.962 46.4 -75.8-150.2 156.7 -4.1 26.1 16.1 55 55 A P E > -B 3 0A 3 0, 0.0 3,-1.2 0, 0.0 -52,-0.3 -0.381 56.2-102.6 -61.3 134.9 -4.7 22.6 17.6 56 56 A V T 3 S+ 0 0 56 -54,-2.4 -54,-0.1 1,-0.3 -32,-0.0 -0.387 108.4 16.8 -58.4 126.3 -7.1 20.4 15.5 57 57 A N T 3 0 0 88 -3,-0.1 23,-0.3 -2,-0.0 -1,-0.3 0.804 360.0 360.0 77.7 34.4 -10.5 20.5 17.3 58 58 A S < 0 0 31 -3,-1.2 21,-0.2 21,-0.1 -2,-0.0 -0.042 360.0 360.0 33.8 360.0 -9.8 23.6 19.5 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 1 B A 0 0 59 0, 0.0 -45,-0.1 0, 0.0 -44,-0.1 0.000 360.0 360.0 360.0 149.3 14.1 29.2 10.3 61 2 B P - 0 0 7 0, 0.0 -25,-0.1 0, 0.0 -47,-0.0 -0.266 360.0-147.9 -57.7 146.9 13.6 32.4 8.2 62 3 B S S S+ 0 0 48 2,-0.1 115,-0.0 114,-0.0 -48,-0.0 0.754 76.7 78.7 -86.0 -27.4 15.2 35.5 9.8 63 4 B Y S S- 0 0 2 1,-0.1 128,-0.3 128,-0.1 131,-0.2 -0.166 95.7 -83.5 -73.6 172.2 12.5 37.8 8.4 64 5 B S - 0 0 9 129,-2.1 -1,-0.1 126,-1.0 -2,-0.1 -0.482 37.0-116.4 -82.6 146.3 9.1 38.1 10.0 65 6 B P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -29,-0.0 -0.536 44.9 -97.5 -73.9 148.9 6.2 35.8 9.3 66 7 B P - 0 0 8 0, 0.0 130,-0.0 0, 0.0 127,-0.0 -0.402 42.2-109.9 -68.0 147.0 3.3 37.6 7.6 67 8 B P - 0 0 70 0, 0.0 -15,-0.0 0, 0.0 127,-0.0 -0.291 50.5 -73.4 -70.1 160.8 0.6 38.7 9.9 68 9 B P 0 0 54 0, 0.0 -16,-0.1 0, 0.0 -61,-0.0 -0.254 360.0 360.0 -54.2 143.8 -2.8 37.0 9.8 69 10 B P 0 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.286 360.0 360.0 -64.5 360.0 -4.8 38.0 6.7 70 !* 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 71 1 C N 0 0 124 0, 0.0 26,-2.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 174.5 -9.9 37.6 38.8 72 2 C L E +G 96 0C 89 24,-0.2 54,-2.4 54,-0.1 2,-0.2 -0.910 360.0 166.8-107.4 116.9 -13.0 35.4 38.6 73 3 C F E -GH 95 125C 11 22,-3.3 22,-2.7 -2,-0.6 2,-0.3 -0.714 26.6-136.5-120.8 170.7 -14.1 34.5 35.1 74 4 C V E -GH 94 124C 33 50,-2.5 50,-1.7 20,-0.2 2,-0.4 -0.967 27.4-111.1-131.1 142.6 -16.5 32.0 33.4 75 5 C A E - H 0 123C 3 18,-2.5 17,-3.0 15,-0.4 48,-0.2 -0.621 21.0-168.0 -77.3 129.1 -15.9 30.0 30.3 76 6 C L S S+ 0 0 62 46,-3.3 2,-0.3 -2,-0.4 47,-0.2 0.740 72.6 13.1 -84.1 -29.2 -17.9 31.0 27.3 77 7 C Y S S- 0 0 63 45,-0.9 2,-0.2 13,-0.1 -1,-0.2 -0.964 85.8 -93.0-145.0 162.4 -17.1 27.9 25.2 78 8 C D - 0 0 93 -2,-0.3 2,-0.4 12,-0.1 12,-0.2 -0.553 40.1-177.2 -75.7 140.5 -15.6 24.5 25.5 79 9 C F B -L 89 0D 3 10,-2.6 10,-2.5 -2,-0.2 2,-0.5 -0.994 14.8-146.1-141.6 130.7 -11.8 24.3 24.8 80 10 C V - 0 0 85 -2,-0.4 8,-0.1 -23,-0.3 7,-0.1 -0.880 23.6-115.1-104.0 128.4 -9.8 21.1 24.8 81 11 C A - 0 0 37 -2,-0.5 3,-0.1 1,-0.1 7,-0.1 -0.226 25.6-174.4 -57.1 144.6 -6.1 21.2 26.0 82 12 C S - 0 0 27 1,-0.6 2,-0.2 -81,-0.0 -1,-0.1 0.076 48.1 -97.4-129.6 19.1 -3.6 20.3 23.3 83 13 C G S > S+ 0 0 41 3,-0.2 3,-1.4 1,-0.1 -1,-0.6 -0.507 88.9 105.2 93.3-166.6 -0.4 20.3 25.4 84 14 C D T 3 S- 0 0 70 1,-0.3 33,-0.1 -2,-0.2 -1,-0.1 0.855 119.7 -61.1 58.0 32.4 2.1 23.1 25.7 85 15 C N T 3 S+ 0 0 132 1,-0.2 32,-2.3 31,-0.1 -1,-0.3 0.705 95.5 150.9 67.1 24.6 0.7 23.7 29.2 86 16 C T B < -i 117 0C 15 -3,-1.4 2,-0.4 30,-0.3 -3,-0.2 -0.495 36.3-138.2 -83.3 158.8 -2.8 24.5 28.0 87 17 C L - 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