==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN,TRANSFERASE/INHIBITOR 12-JAN-07 2OJ2 . COMPND 2 MOLECULE: HEMATOPOETIC CELL KINASE, SH3 DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.SCHMIDT,S.HOFFMANN,T.TRAN,M.STOLDT,T.STANGLER,K.WIESEHAN, . 98 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 40 40.8 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 . 22 22.4 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 . 1 1.0 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 . 9 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 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 . 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 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 A G 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.0 -50.4 -61.5 -2.6 2 2 A P - 0 0 127 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.105 360.0-150.6 -75.0 177.8 -48.2 -59.6 -5.0 3 3 A L + 0 0 175 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.987 13.5 179.4-151.3 152.4 -44.6 -58.7 -4.5 4 4 A G - 0 0 77 -2,-0.3 0, 0.0 2,-0.0 0, 0.0 -0.971 16.6-146.5-158.0 141.2 -42.2 -55.9 -5.5 5 5 A S - 0 0 113 -2,-0.3 -2,-0.0 2,-0.1 2,-0.0 -0.955 18.9-143.7-115.7 123.5 -38.6 -55.0 -4.9 6 6 A P + 0 0 131 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.150 33.4 144.6 -75.0 174.2 -37.5 -51.4 -4.7 7 7 A G - 0 0 68 2,-0.0 -2,-0.1 -2,-0.0 0, 0.0 0.117 26.7-157.1 148.5 90.0 -34.2 -49.9 -6.0 8 8 A P - 0 0 128 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.114 19.9-121.4 -75.0 177.0 -33.9 -46.5 -7.6 9 9 A N - 0 0 149 2,-0.0 -2,-0.0 0, 0.0 0, 0.0 -0.835 25.1-146.5-126.9 91.8 -31.1 -45.4 -10.0 10 10 A S - 0 0 118 -2,-0.5 2,-0.3 1,-0.0 0, 0.0 -0.110 22.5-177.1 -53.3 152.9 -29.2 -42.4 -8.6 11 11 A H + 0 0 174 2,-0.0 2,-0.3 0, 0.0 -1,-0.0 -0.921 11.7 176.6-148.0 170.3 -27.9 -40.0 -11.2 12 12 A N - 0 0 143 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.967 14.8-143.6-169.9 163.9 -25.8 -36.8 -11.4 13 13 A S + 0 0 114 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.999 32.1 129.0-142.9 141.3 -24.4 -34.3 -13.9 14 14 A N - 0 0 158 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.753 42.5-122.3 172.9 139.6 -21.1 -32.4 -14.0 15 15 A T - 0 0 103 -2,-0.2 3,-0.0 1,-0.1 -2,-0.0 -0.698 26.2-129.2 -95.7 147.0 -18.3 -31.7 -16.4 16 16 A P - 0 0 106 0, 0.0 2,-3.3 0, 0.0 -1,-0.1 0.171 62.1 -43.9 -75.1-162.1 -14.6 -32.4 -15.6 17 17 A G S S- 0 0 86 3,-0.0 3,-0.1 0, 0.0 0, 0.0 -0.357 73.8-164.6 -68.2 68.3 -11.7 -30.1 -16.0 18 18 A I - 0 0 114 -2,-3.3 -3,-0.0 1,-0.1 0, 0.0 -0.229 36.2 -76.3 -56.4 144.1 -12.9 -28.9 -19.4 19 19 A R - 0 0 236 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.055 54.0-128.0 -39.3 150.6 -10.3 -27.0 -21.3 20 20 A E + 0 0 181 -3,-0.1 2,-0.3 0, 0.0 3,-0.1 -0.522 35.4 151.2-102.2 171.3 -9.6 -23.4 -20.2 21 21 A A + 0 0 91 1,-0.2 0, 0.0 -2,-0.2 0, 0.0 -0.962 36.3 73.0-178.9 179.4 -9.6 -20.2 -22.0 22 22 A G - 0 0 78 -2,-0.3 -1,-0.2 1,-0.0 0, 0.0 0.989 63.3-168.0 57.1 69.4 -10.2 -16.4 -21.8 23 23 A S + 0 0 104 -3,-0.1 2,-0.1 2,-0.0 -1,-0.0 -0.064 16.1 168.1 -76.5-177.4 -7.1 -15.5 -19.8 24 24 A E + 0 0 145 1,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.312 10.1 149.1 160.8 111.5 -6.5 -12.2 -18.1 25 25 A D - 0 0 97 -2,-0.1 2,-1.1 2,-0.1 28,-0.1 -0.665 26.4-156.8-159.9 95.7 -3.9 -11.1 -15.6 26 26 A I E -A 52 0A 27 26,-1.2 26,-3.2 -2,-0.2 2,-0.5 -0.664 17.5-162.9 -79.5 101.1 -2.6 -7.5 -15.6 27 27 A I E +A 51 0A 37 -2,-1.1 54,-2.6 24,-0.2 55,-0.4 -0.757 11.8 177.4 -89.9 127.5 0.8 -7.8 -13.9 28 28 A V E -AB 50 80A 0 22,-1.4 22,-1.3 -2,-0.5 2,-0.4 -0.999 22.0-138.4-134.4 132.6 2.3 -4.6 -12.6 29 29 A V E -AB 49 79A 27 50,-2.2 50,-1.0 -2,-0.4 20,-0.2 -0.753 31.5-108.1 -92.1 133.7 5.5 -4.1 -10.7 30 30 A A E - B 0 78A 3 18,-2.6 17,-0.8 -2,-0.4 48,-0.3 -0.416 22.3-161.2 -61.7 124.1 5.5 -1.7 -7.8 31 31 A L S S+ 0 0 57 46,-3.3 2,-0.3 1,-0.2 47,-0.2 0.645 78.2 13.5 -80.4 -16.5 7.4 1.4 -8.8 32 32 A Y S S- 0 0 48 45,-1.0 -1,-0.2 13,-0.1 15,-0.1 -0.981 93.0 -87.3-159.1 148.1 7.7 2.3 -5.1 33 33 A D - 0 0 94 -2,-0.3 2,-0.4 13,-0.1 12,-0.3 -0.271 45.3-169.8 -56.8 138.7 7.3 0.6 -1.7 34 34 A Y E -E 44 0B 3 10,-2.2 10,-2.4 2,-0.0 2,-0.1 -0.991 22.0-177.9-139.9 128.4 3.7 0.9 -0.4 35 35 A E E -E 43 0B 170 -2,-0.4 8,-0.2 8,-0.2 10,-0.1 -0.500 66.5 -81.0-121.8 60.5 2.4 0.1 3.0 36 36 A A - 0 0 41 6,-0.6 7,-0.1 -2,-0.1 5,-0.1 0.905 50.4-168.7 39.3 89.1 -1.3 0.9 2.6 37 37 A I S S+ 0 0 94 5,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.939 70.1 19.2 -69.4 -49.1 -1.3 4.6 3.0 38 38 A H S S- 0 0 26 1,-0.2 -1,-0.1 2,-0.1 53,-0.0 -0.754 99.4 -79.1-119.4 166.5 -5.1 4.8 3.3 39 39 A H S S+ 0 0 117 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.042 108.3 37.5 -55.0 171.5 -7.8 2.4 4.1 40 40 A E S S+ 0 0 113 1,-0.2 2,-0.3 -4,-0.1 -1,-0.2 0.939 95.2 111.2 43.4 68.3 -9.0 -0.1 1.4 41 41 A D - 0 0 22 29,-0.1 2,-0.2 -5,-0.1 32,-0.2 -0.941 62.3-123.9-166.7 144.9 -5.6 -0.6 -0.1 42 42 A L - 0 0 15 30,-3.8 -6,-0.6 -2,-0.3 2,-0.4 -0.612 23.5-130.3 -93.3 154.3 -3.0 -3.4 -0.4 43 43 A S E +E 35 0B 45 -2,-0.2 -8,-0.2 -8,-0.2 2,-0.2 -0.882 36.5 150.9-108.5 136.7 0.6 -3.1 0.8 44 44 A F E -E 34 0B 8 -10,-2.4 -10,-2.2 -2,-0.4 2,-0.3 -0.770 34.4-109.1-145.3-171.3 3.5 -4.0 -1.3 45 45 A Q > - 0 0 123 -12,-0.3 3,-2.7 -2,-0.2 2,-0.9 -0.891 42.7 -85.3-129.3 159.1 7.2 -3.3 -2.0 46 46 A K T 3 S+ 0 0 115 -2,-0.3 -15,-0.2 1,-0.3 -13,-0.1 -0.506 122.2 24.0 -66.3 103.1 9.1 -1.6 -4.8 47 47 A G T 3 S+ 0 0 47 -2,-0.9 -1,-0.3 -17,-0.8 2,-0.2 0.281 91.5 130.7 121.9 -4.2 9.6 -4.5 -7.2 48 48 A D < - 0 0 33 -3,-2.7 -18,-2.6 -18,-0.1 -1,-0.4 -0.550 49.1-137.5 -81.3 145.4 6.6 -6.6 -6.1 49 49 A Q E -A 29 0A 59 -20,-0.2 16,-2.4 -2,-0.2 2,-0.3 -0.841 18.6-170.8-106.9 141.9 4.3 -8.0 -8.7 50 50 A M E -AC 28 64A 0 -22,-1.3 -22,-1.4 -2,-0.4 2,-1.1 -0.969 26.5-125.3-132.9 147.7 0.5 -8.0 -8.4 51 51 A V E -AC 27 63A 6 12,-1.9 12,-1.2 -2,-0.3 2,-0.3 -0.764 29.1-145.1 -94.1 93.4 -2.3 -9.6 -10.4 52 52 A V E +AC 26 62A 7 -26,-3.2 -26,-1.2 -2,-1.1 10,-0.3 -0.421 29.1 166.6 -60.9 119.8 -4.6 -6.7 -11.3 53 53 A L E + 0 0 72 8,-3.2 2,-0.4 1,-0.4 9,-0.2 0.839 64.6 25.6-100.2 -52.9 -8.1 -8.0 -11.2 54 54 A E E - C 0 61A 118 7,-1.3 7,-2.6 34,-0.0 -1,-0.4 -0.934 55.5-175.2-118.8 140.2 -10.2 -4.8 -11.2 55 55 A E + 0 0 109 -2,-0.4 5,-0.2 5,-0.2 4,-0.0 -0.626 13.4 163.8-133.9 74.1 -9.2 -1.4 -12.6 56 56 A S S S- 0 0 78 3,-0.5 -1,-0.1 -2,-0.2 4,-0.1 0.967 73.7 -54.3 -52.7 -61.9 -11.9 1.0 -11.8 57 57 A G S S- 0 0 30 2,-0.8 32,-0.0 0, 0.0 3,-0.0 0.172 110.1 -13.5-142.8 -93.6 -9.8 4.1 -12.4 58 58 A E S S+ 0 0 84 33,-0.1 2,-0.3 1,-0.1 17,-0.3 0.932 122.1 57.8 -87.8 -61.0 -6.4 4.8 -10.8 59 59 A W S S- 0 0 1 29,-0.4 -2,-0.8 15,-0.2 -3,-0.5 -0.569 73.2-164.8 -75.4 133.0 -6.4 2.3 -7.9 60 60 A W E - D 0 73A 36 13,-2.8 13,-3.3 -2,-0.3 2,-1.0 -0.880 23.4-119.7-119.9 152.0 -6.7 -1.3 -9.1 61 61 A K E +CD 54 72A 76 -7,-2.6 -8,-3.2 -2,-0.3 -7,-1.3 -0.790 47.4 161.0 -94.6 98.1 -7.5 -4.4 -7.1 62 62 A A E -CD 52 71A 0 9,-1.3 9,-1.5 -2,-1.0 2,-0.6 -0.826 37.3-123.4-117.3 156.3 -4.6 -6.7 -7.6 63 63 A R E -C 51 0A 77 -12,-1.2 -12,-1.9 -2,-0.3 7,-0.2 -0.891 30.9-114.4-104.1 122.4 -3.5 -9.7 -5.5 64 64 A S E > -C 50 0A 3 -2,-0.6 4,-1.5 -14,-0.2 -14,-0.2 -0.268 14.2-148.4 -54.0 130.9 0.1 -9.7 -4.1 65 65 A L T 4 S+ 0 0 82 -16,-2.4 -1,-0.2 1,-0.2 -15,-0.1 0.083 95.8 55.3 -89.3 22.5 2.2 -12.4 -5.8 66 66 A A T 4 S+ 0 0 68 -17,-0.1 -1,-0.2 3,-0.0 -16,-0.1 0.636 128.4 9.5-120.0 -37.6 4.1 -12.6 -2.5 67 67 A T T 4 S- 0 0 80 2,-0.1 -2,-0.2 -3,-0.0 -3,-0.1 0.301 93.8-122.6-125.4 1.2 1.3 -13.2 0.0 68 68 A R < + 0 0 187 -4,-1.5 -3,-0.2 1,-0.1 -18,-0.0 0.749 59.4 158.9 59.8 24.1 -1.5 -13.8 -2.4 69 69 A K - 0 0 105 -5,-0.1 2,-0.3 -26,-0.1 -5,-0.1 -0.055 33.3-138.6 -68.9 177.0 -3.2 -11.0 -0.7 70 70 A E + 0 0 124 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.945 41.1 113.1-147.5 121.1 -6.0 -9.0 -2.2 71 71 A G E -D 62 0A 14 -9,-1.5 -9,-1.3 -2,-0.3 2,-0.1 -0.953 63.1 -73.2-176.4 161.9 -6.6 -5.2 -2.0 72 72 A Y E -D 61 0A 48 -2,-0.3 -30,-3.8 -11,-0.2 -11,-0.3 -0.406 47.0-171.0 -68.6 140.9 -6.6 -2.0 -4.0 73 73 A I E -D 60 0A 0 -13,-3.3 -13,-2.8 -32,-0.2 2,-0.2 -0.958 27.4-101.6-134.9 152.1 -3.3 -0.6 -5.1 74 74 A P - 0 0 0 0, 0.0 3,-0.5 0, 0.0 -15,-0.2 -0.532 17.6-156.0 -75.1 135.3 -2.1 2.6 -6.7 75 75 A S S > S+ 0 0 26 -17,-0.3 3,-2.0 -2,-0.2 -16,-0.1 0.788 94.6 63.5 -78.7 -30.1 -1.4 2.5 -10.4 76 76 A N T 3 S+ 0 0 31 1,-0.3 -1,-0.2 3,-0.1 -17,-0.1 0.563 104.3 50.7 -69.8 -7.5 0.9 5.5 -10.2 77 77 A Y T 3 S+ 0 0 14 -3,-0.5 -46,-3.3 -46,-0.1 -45,-1.0 0.174 110.2 57.1-113.4 13.1 3.0 3.2 -8.0 78 78 A V E < -B 30 0A 9 -3,-2.0 2,-0.3 -48,-0.3 -48,-0.2 -0.891 59.6-158.2-138.5 167.2 3.0 0.3 -10.4 79 79 A A E -B 29 0A 19 -50,-1.0 -50,-2.2 -2,-0.3 4,-0.2 -0.855 32.6-109.1-154.3 112.2 4.0 -0.4 -14.0 80 80 A R E > -B 28 0A 132 -2,-0.3 3,-2.4 -52,-0.3 -52,-0.3 -0.022 24.7-127.7 -39.5 137.3 2.7 -3.2 -16.2 81 81 A V G > S+ 0 0 63 -54,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.832 115.6 51.3 -59.4 -33.1 5.4 -5.9 -16.7 82 82 A D G 3 S+ 0 0 149 -55,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.237 100.5 67.6 -87.5 12.5 4.6 -5.5 -20.4 83 83 A S G < S+ 0 0 83 -3,-2.4 2,-0.3 -4,-0.2 -1,-0.2 -0.012 75.6 115.3-119.1 25.5 5.1 -1.8 -19.9 84 84 A L < - 0 0 99 -3,-0.8 2,-0.4 -5,-0.1 -3,-0.0 -0.719 47.2-159.3 -98.4 148.5 8.8 -1.9 -19.2 85 85 A E 0 0 161 -2,-0.3 -2,-0.0 1,-0.2 -3,-0.0 -0.996 360.0 360.0-132.0 132.5 11.4 -0.3 -21.4 86 86 A T 0 0 174 -2,-0.4 -1,-0.2 0, 0.0 0, 0.0 0.894 360.0 360.0 36.7 360.0 15.1 -1.1 -21.5 87 !* 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 88 120 B H 0 0 83 0, 0.0 2,-1.0 0, 0.0 -29,-0.4 0.000 360.0 360.0 360.0 121.8 -11.5 2.4 -6.7 89 121 B S + 0 0 90 1,-0.2 -29,-0.0 -31,-0.1 0, 0.0 -0.787 360.0 121.9 -98.4 93.2 -10.9 6.0 -7.5 90 122 B K + 0 0 97 -2,-1.0 -1,-0.2 1,-0.3 0, 0.0 0.694 67.8 43.2-115.9 -44.2 -11.2 7.8 -4.2 91 123 B Y S S- 0 0 110 -3,-0.3 2,-2.6 -53,-0.0 -1,-0.3 -0.795 86.6-111.9-109.2 151.2 -7.8 9.6 -3.8 92 124 B P S S- 0 0 117 0, 0.0 -3,-0.1 0, 0.0 -1,-0.0 -0.271 74.4 -82.3 -75.1 53.9 -5.8 11.4 -6.4 93 125 B L - 0 0 36 -2,-2.6 3,-0.1 2,-0.1 -4,-0.0 0.401 61.5 -71.9 59.0 154.3 -3.2 8.7 -6.3 94 126 B P - 0 0 8 0, 0.0 2,-0.6 0, 0.0 -18,-0.0 -0.257 58.9 -83.7 -75.0 165.5 -0.5 8.6 -3.6 95 127 B P - 0 0 100 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.611 48.4-119.5 -75.1 114.0 2.5 11.0 -3.4 96 128 B L - 0 0 97 -2,-0.6 -19,-0.1 1,-0.1 -64,-0.0 -0.281 30.8-137.8 -54.5 131.1 5.2 9.7 -5.7 97 129 B P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -65,-0.0 0.180 18.1-104.0 -75.0-161.6 8.4 9.0 -3.7 98 130 B S 0 0 130 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.913 360.0 360.0 -90.9 -73.6 11.9 9.8 -4.6 99 131 B L 0 0 143 -3,-0.0 -1,-0.2 0, 0.0 -68,-0.0 -0.524 360.0 360.0 -96.6 360.0 13.6 6.6 -5.7