==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/INHIBITOR 20-JUN-12 4FNY . COMPND 2 MOLECULE: ALK TYROSINE KINASE RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.A.WHITTINGTON,L.F.EPSTEIN,H.CHEN . 273 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 12 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 1 0 1 1 0 1 1 0 1 0 0 0 2 0 0 0 1 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 . 0 1 1 1 1 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 1 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 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 1103 A S 0 0 97 0, 0.0 2,-0.2 0, 0.0 59,-0.1 0.000 360.0 360.0 360.0 109.5 9.1 31.4 30.6 2 1104 A S >> - 0 0 67 1,-0.1 3,-2.3 58,-0.1 4,-0.5 -0.662 360.0-117.8 -95.7 154.4 7.7 34.2 32.8 3 1105 A I G >4 S+ 0 0 99 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.865 114.6 75.2 -55.7 -34.7 6.3 33.8 36.3 4 1106 A S G 34 S+ 0 0 106 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.780 88.9 57.7 -39.9 -36.9 3.2 35.1 34.6 5 1107 A D G <4 S+ 0 0 104 -3,-2.3 -1,-0.3 2,-0.1 2,-0.2 0.786 86.1 91.8 -71.3 -29.6 2.9 31.6 33.0 6 1108 A L S << S- 0 0 14 -3,-1.8 2,-0.8 -4,-0.5 54,-0.1 -0.486 78.4-132.4 -70.0 134.1 2.7 29.9 36.4 7 1109 A K - 0 0 125 -2,-0.2 69,-2.6 2,-0.0 2,-0.5 -0.797 19.1-144.6 -92.6 109.4 -0.9 29.4 37.6 8 1110 A E B -a 76 0A 66 -2,-0.8 69,-0.2 67,-0.2 67,-0.0 -0.629 9.8-159.5 -81.0 124.3 -1.0 30.6 41.2 9 1111 A V - 0 0 20 67,-2.8 5,-0.1 -2,-0.5 66,-0.0 -0.919 25.2-116.9-104.5 119.3 -3.4 28.5 43.3 10 1112 A P > - 0 0 61 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.334 22.9-124.6 -57.6 133.6 -4.6 30.3 46.5 11 1113 A R G > S+ 0 0 57 1,-0.3 3,-1.8 2,-0.2 66,-0.0 0.766 105.7 66.7 -53.4 -34.8 -3.4 28.3 49.5 12 1114 A K G 3 S+ 0 0 174 1,-0.3 -1,-0.3 3,-0.0 20,-0.0 0.806 97.5 56.0 -56.3 -31.0 -7.0 28.0 51.0 13 1115 A N G < S+ 0 0 26 -3,-2.0 19,-1.8 18,-0.1 2,-0.5 0.538 93.8 84.9 -79.7 -6.9 -7.9 25.8 48.0 14 1116 A I E < -B 31 0A 15 -3,-1.8 2,-0.4 -4,-0.3 17,-0.2 -0.866 52.2-179.8-107.7 127.7 -5.1 23.3 48.6 15 1117 A T E -B 30 0A 72 15,-2.3 15,-1.9 -2,-0.5 2,-0.5 -0.985 21.2-140.3-127.7 126.1 -5.3 20.3 51.0 16 1118 A L E +B 29 0A 71 -2,-0.4 13,-0.3 13,-0.2 3,-0.1 -0.738 21.6 176.5 -85.1 122.7 -2.6 17.7 51.7 17 1119 A I E - 0 0 75 11,-2.5 2,-0.3 -2,-0.5 12,-0.2 0.897 58.5 -18.0 -93.1 -52.7 -4.1 14.2 52.0 18 1120 A R E -B 28 0A 141 10,-1.3 10,-3.2 0, 0.0 -1,-0.3 -0.986 65.9 -98.9-154.9 158.5 -1.1 11.9 52.5 19 1121 A G E +B 27 0A 52 -2,-0.3 8,-0.3 8,-0.3 3,-0.1 -0.475 30.6 175.4 -76.2 151.4 2.7 11.7 52.0 20 1122 A L E + 0 0 85 6,-3.3 2,-0.4 1,-0.2 7,-0.2 0.665 60.1 39.6-121.1 -42.0 4.1 10.0 49.0 21 1123 A G E B 26 0A 28 5,-1.5 5,-1.1 1,-0.1 -1,-0.2 -0.962 360.0 360.0-131.4 122.7 7.9 10.4 48.9 22 1124 A H 0 0 231 -2,-0.4 -1,-0.1 3,-0.1 -3,-0.0 0.797 360.0 360.0 -73.6 360.0 10.4 10.2 51.7 23 ! 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 24 1128 A G 0 0 69 0, 0.0 2,-0.3 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 174.7 11.7 18.7 49.9 25 1129 A E - 0 0 74 17,-0.3 17,-2.0 2,-0.0 2,-0.4 -0.811 360.0-128.2-131.5 169.0 8.9 16.1 50.2 26 1130 A V E +BC 21 41A 31 -5,-1.1 -6,-3.3 -2,-0.3 -5,-1.5 -0.980 25.9 175.6-126.8 135.9 6.0 14.9 48.0 27 1131 A Y E -BC 19 40A 66 13,-2.1 13,-3.1 -2,-0.4 2,-0.4 -0.913 33.2-117.2-133.0 155.8 2.4 14.6 49.0 28 1132 A E E +BC 18 39A 37 -10,-3.2 -11,-2.5 -2,-0.3 -10,-1.3 -0.815 48.7 171.3 -86.5 139.9 -0.9 13.7 47.4 29 1133 A G E -BC 16 38A 2 9,-3.0 9,-2.0 -2,-0.4 2,-0.3 -0.799 28.2-125.3-143.4-177.3 -3.2 16.7 47.6 30 1134 A Q E -BC 15 37A 70 -15,-1.9 -15,-2.3 -2,-0.2 2,-0.5 -0.998 8.4-159.7-141.6 137.7 -6.5 18.2 46.5 31 1135 A V E -BC 14 36A 19 5,-2.0 5,-1.6 -2,-0.3 2,-0.4 -0.977 10.7-159.9-122.5 119.1 -7.5 21.5 44.8 32 1136 A S 0 0 56 -19,-1.8 -2,-0.0 -2,-0.5 -19,-0.0 -0.788 360.0 360.0-100.0 140.8 -11.1 22.8 45.1 33 1137 A G 0 0 122 -2,-0.4 -1,-0.2 0, 0.0 0, 0.0 0.824 360.0 360.0 -88.8 360.0 -12.5 25.4 42.6 34 ! 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 35 1144 A P 0 0 123 0, 0.0 -3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.4 -12.3 18.3 43.2 36 1145 A L E -C 31 0A 108 -5,-1.6 -5,-2.0 1,-0.1 2,-0.6 -0.136 360.0-139.5 -62.4 137.7 -8.8 18.0 41.5 37 1146 A Q E +C 30 0A 140 -7,-0.2 52,-1.2 52,-0.1 2,-0.3 -0.857 34.8 167.3 -97.3 117.5 -6.3 15.3 42.4 38 1147 A V E -CD 29 88A 3 -9,-2.0 -9,-3.0 -2,-0.6 2,-0.4 -0.813 36.7-132.1-129.5 160.9 -2.8 16.5 42.5 39 1148 A A E -CD 28 87A 11 48,-3.5 48,-3.3 -2,-0.3 2,-0.5 -0.950 29.7-151.0-107.1 138.8 0.7 15.7 43.6 40 1149 A V E -CD 27 86A 0 -13,-3.1 -13,-2.1 -2,-0.4 2,-0.5 -0.938 10.9-161.2-116.9 128.9 2.5 18.4 45.6 41 1150 A K E -CD 26 85A 51 44,-2.8 44,-2.1 -2,-0.5 2,-0.3 -0.946 18.8-155.8-103.8 127.0 6.2 19.2 45.8 42 1151 A T E - D 0 84A 8 -17,-2.0 -17,-0.3 -2,-0.5 42,-0.2 -0.730 12.0-141.0-100.6 149.1 7.1 21.3 48.8 43 1152 A L - 0 0 11 40,-1.8 40,-0.3 -2,-0.3 2,-0.1 -0.932 35.2-112.4 -96.9 129.3 10.1 23.6 49.4 44 1153 A P - 0 0 45 0, 0.0 39,-0.1 0, 0.0 0, 0.0 -0.421 18.4-130.1 -57.6 137.1 11.4 23.4 53.0 45 1154 A E S S+ 0 0 123 1,-0.1 2,-0.9 -2,-0.1 -2,-0.0 0.898 101.2 62.0 -57.0 -43.1 10.8 26.7 54.9 46 1155 A V S S+ 0 0 141 -3,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.779 83.2 126.5 -85.0 106.8 14.5 26.6 56.0 47 1156 A C - 0 0 40 -2,-0.9 -4,-0.0 -4,-0.1 -2,-0.0 -0.978 57.2 -88.5-158.9 164.9 16.4 26.9 52.7 48 1157 A S > - 0 0 60 -2,-0.3 4,-1.2 1,-0.1 5,-0.1 -0.166 34.0-116.8 -72.4 167.9 19.1 28.7 50.7 49 1158 A E H > S+ 0 0 185 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.788 123.1 51.9 -70.4 -31.1 18.5 31.7 48.4 50 1159 A Q H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.808 101.9 58.5 -73.8 -33.2 19.7 29.3 45.7 51 1160 A D H > S+ 0 0 61 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.891 105.2 51.5 -60.5 -39.8 17.1 26.7 46.8 52 1161 A E H X S+ 0 0 58 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.899 109.2 49.2 -62.5 -42.9 14.4 29.3 46.1 53 1162 A L H X S+ 0 0 83 -4,-1.3 4,-2.8 1,-0.2 -2,-0.2 0.938 111.4 49.8 -63.2 -46.1 15.8 29.9 42.6 54 1163 A D H X S+ 0 0 81 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.884 109.7 50.4 -56.8 -45.5 15.9 26.1 41.9 55 1164 A F H X S+ 0 0 10 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.940 114.2 43.8 -61.6 -50.4 12.3 25.7 43.0 56 1165 A L H X S+ 0 0 41 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.924 113.8 52.2 -57.2 -46.7 11.1 28.5 40.9 57 1166 A M H X S+ 0 0 78 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.891 107.2 50.8 -62.9 -43.2 13.2 27.3 38.0 58 1167 A E H X S+ 0 0 52 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.927 112.2 48.0 -59.2 -45.9 11.8 23.7 38.2 59 1168 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.907 112.5 48.9 -59.3 -43.8 8.3 25.1 38.1 60 1169 A L H X S+ 0 0 14 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.920 116.4 42.2 -62.8 -44.2 9.2 27.3 35.1 61 1170 A I H X S+ 0 0 45 -4,-2.7 4,-0.6 2,-0.2 3,-0.3 0.906 115.9 46.3 -71.4 -46.8 10.8 24.4 33.2 62 1171 A I H >< S+ 0 0 31 -4,-3.0 3,-0.8 -5,-0.2 11,-0.5 0.891 110.4 56.2 -63.4 -37.2 8.2 21.8 34.0 63 1172 A S H 3< S+ 0 0 43 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.769 100.4 56.3 -69.4 -29.3 5.4 24.2 33.1 64 1173 A K H 3< S+ 0 0 113 -4,-1.0 2,-0.4 -3,-0.3 -1,-0.2 0.653 86.8 96.7 -78.7 -14.9 6.6 25.0 29.6 65 1174 A F << - 0 0 18 -3,-0.8 2,-0.5 -4,-0.6 8,-0.3 -0.622 49.3-176.9 -78.0 125.2 6.6 21.3 28.6 66 1175 A N + 0 0 114 -2,-0.4 2,-0.3 6,-0.1 -3,-0.1 -0.825 32.3 124.6-120.2 92.7 3.4 20.2 26.7 67 1176 A H > - 0 0 19 -2,-0.5 3,-1.4 3,-0.3 57,-0.1 -0.993 62.3-128.6-153.0 145.6 3.7 16.5 26.0 68 1177 A Q T 3 S+ 0 0 108 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.693 108.6 44.6 -64.7 -22.5 1.7 13.3 26.7 69 1178 A N T 3 S+ 0 0 7 54,-0.1 87,-2.3 86,-0.1 2,-0.4 0.040 97.1 80.6-115.1 23.3 4.6 11.4 28.3 70 1179 A I B < S-f 156 0B 13 -3,-1.4 -3,-0.3 85,-0.3 87,-0.1 -0.999 90.6-105.8-125.4 129.8 6.1 14.1 30.5 71 1180 A V - 0 0 14 85,-2.0 2,-0.3 -2,-0.4 -6,-0.1 -0.252 40.7-127.0 -55.0 129.2 4.4 14.8 33.9 72 1181 A R - 0 0 76 -4,-0.1 16,-2.0 -6,-0.0 2,-0.6 -0.591 3.0-135.5 -86.8 139.6 2.5 18.0 33.8 73 1182 A C E - E 0 87A 10 -11,-0.5 14,-0.3 -2,-0.3 3,-0.1 -0.875 19.1-173.0 -89.9 122.5 2.8 20.9 36.2 74 1183 A I E - 0 0 51 12,-2.1 2,-0.3 -2,-0.6 13,-0.2 0.531 56.2 -51.5 -96.2 -11.6 -0.8 21.9 37.0 75 1184 A G E - E 0 86A 2 11,-1.4 11,-3.1 -69,-0.0 -1,-0.3 -0.950 50.4-115.2 159.0-178.9 0.0 25.1 39.0 76 1185 A V E -aE 8 85A 0 -69,-2.6 -67,-2.8 -2,-0.3 9,-0.2 -0.899 2.0-153.7-140.3 166.8 2.1 26.5 41.8 77 1186 A S E + E 0 84A 0 7,-3.0 7,-2.7 -2,-0.3 3,-0.2 -0.687 37.8 145.0-143.6 83.4 1.6 28.0 45.2 78 1187 A L + 0 0 30 5,-0.2 5,-0.1 -2,-0.2 7,-0.0 0.447 57.2 71.3-103.3 -5.6 4.6 30.2 45.7 79 1188 A Q S S+ 0 0 161 3,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.469 96.6 55.5 -94.7 -2.9 3.1 33.2 47.7 80 1189 A S S S- 0 0 45 -3,-0.2 4,-0.2 2,-0.1 -3,-0.1 -0.902 93.9 -84.7-122.0 157.9 2.6 31.1 50.9 81 1190 A L S S+ 0 0 95 -2,-0.3 2,-0.1 1,-0.1 -3,-0.1 -0.881 109.3 37.5-107.0 138.6 5.0 29.1 53.0 82 1191 A P S S- 0 0 45 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.604 98.9-130.8 -76.2 147.1 5.9 26.3 52.6 83 1192 A R - 0 0 57 -40,-0.3 -40,-1.8 -5,-0.1 2,-0.4 -0.366 21.5-153.1 -74.5 141.3 5.9 26.8 48.8 84 1193 A F E -DE 42 77A 9 -7,-2.7 -7,-3.0 -42,-0.2 2,-0.4 -0.888 17.3-164.6-116.0 141.6 4.2 24.3 46.5 85 1194 A I E -DE 41 76A 3 -44,-2.1 -44,-2.8 -2,-0.4 2,-0.5 -0.993 25.6-145.4-111.8 130.2 4.6 23.1 42.9 86 1195 A L E +DE 40 75A 0 -11,-3.1 -12,-2.1 -2,-0.4 -11,-1.4 -0.878 20.7 177.8-103.9 125.6 1.5 21.2 41.8 87 1196 A L E -DE 39 73A 37 -48,-3.3 -48,-3.5 -2,-0.5 -14,-0.2 -0.860 40.1 -88.2-121.1 154.2 1.7 18.3 39.4 88 1197 A E E -D 38 0A 37 -16,-2.0 2,-0.5 -2,-0.3 -50,-0.2 -0.378 50.3-111.0 -54.2 135.6 -0.8 15.9 38.0 89 1198 A L - 0 0 35 -52,-1.2 2,-1.0 -60,-0.1 -1,-0.1 -0.640 23.7-154.9 -76.7 123.0 -1.3 12.9 40.3 90 1199 A M > - 0 0 13 -2,-0.5 3,-2.0 1,-0.2 55,-0.3 -0.805 8.2-168.8-101.2 93.3 0.1 9.7 38.7 91 1200 A A T 3 S+ 0 0 77 -2,-1.0 56,-0.2 55,-0.8 55,-0.2 0.699 77.7 65.2 -60.7 -27.1 -2.0 7.1 40.5 92 1201 A G T 3 S- 0 0 17 53,-1.6 -1,-0.3 1,-0.2 54,-0.2 0.628 96.1-145.7 -72.1 -13.8 0.1 4.1 39.3 93 1202 A G E < -G 145 0B 29 -3,-2.0 52,-2.2 52,-0.7 -1,-0.2 -0.281 44.0 -19.5 79.7-169.3 3.2 5.3 41.2 94 1203 A D E > -G 144 0B 40 50,-0.2 4,-2.0 1,-0.1 50,-0.3 -0.416 59.1-124.7 -74.9 151.6 6.8 5.0 40.1 95 1204 A L H > S+ 0 0 1 48,-2.4 4,-2.8 45,-0.8 5,-0.2 0.848 105.7 57.5 -66.8 -39.6 7.8 2.4 37.5 96 1205 A K H > S+ 0 0 41 44,-0.7 4,-2.1 47,-0.3 -1,-0.2 0.943 109.9 43.5 -58.9 -50.2 10.4 0.6 39.6 97 1206 A S H > S+ 0 0 25 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.946 114.6 52.3 -58.2 -47.0 8.0 -0.2 42.4 98 1207 A F H X S+ 0 0 10 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.871 108.7 47.9 -57.8 -44.7 5.4 -1.2 39.8 99 1208 A L H < S+ 0 0 1 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.912 116.1 46.1 -61.9 -42.6 7.8 -3.6 37.9 100 1209 A R H >< S+ 0 0 105 -4,-2.1 3,-0.6 -5,-0.2 -2,-0.2 0.882 115.2 44.1 -67.2 -43.4 8.8 -5.2 41.3 101 1210 A E H 3< S+ 0 0 129 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.722 115.9 47.8 -76.5 -22.7 5.2 -5.5 42.7 102 1211 A T T 3< S+ 0 0 37 -4,-1.5 7,-0.4 -5,-0.3 -1,-0.2 0.310 75.0 135.8-107.3 8.2 3.7 -6.8 39.4 103 1212 A R < - 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