==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 22-JUL-11 3T1W . COMPND 2 MOLECULE: FOUR-DOMAIN FIBRONECTIN FRAGMENT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.SCHIEFNER,A.SKERRA . 368 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 59.5 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 . 148 40.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 7 1.9 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 . 37 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 4 1 5 4 6 0 3 1 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 4 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 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 1173 A P 0 0 180 0, 0.0 2,-0.3 0, 0.0 83,-0.1 0.000 360.0 360.0 360.0 106.6 68.1 4.7 46.7 2 1174 A L - 0 0 33 81,-0.2 83,-0.5 75,-0.1 75,-0.1 -0.581 360.0-117.3 -76.8 133.7 65.1 7.0 46.1 3 1175 A S - 0 0 50 -2,-0.3 25,-0.4 81,-0.1 81,-0.1 -0.586 30.1-132.3 -71.9 120.9 61.6 5.7 47.2 4 1176 A P - 0 0 41 0, 0.0 23,-0.3 0, 0.0 72,-0.1 -0.145 33.3 -85.7 -61.3 163.9 59.3 5.4 44.2 5 1177 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 20,-0.2 -0.185 47.2-139.7 -62.2 167.6 55.8 6.8 44.3 6 1178 A T E +A 24 0A 62 18,-1.8 18,-3.0 1,-0.2 81,-0.1 -0.882 64.5 24.1-130.8 165.3 53.0 4.6 45.8 7 1179 A N E S- 0 0 114 -2,-0.3 -1,-0.2 16,-0.2 2,-0.1 0.908 71.7-156.6 45.8 58.8 49.4 3.7 45.1 8 1180 A L E - 0 0 24 -3,-0.2 2,-0.4 15,-0.1 15,-0.2 -0.414 9.8-167.7 -60.6 131.4 49.3 4.5 41.3 9 1181 A H E -A 22 0A 111 13,-2.7 13,-2.5 -2,-0.1 2,-0.5 -0.992 7.4-167.7-129.8 127.4 45.8 5.3 40.1 10 1182 A L E -A 21 0A 19 -2,-0.4 2,-0.5 11,-0.2 11,-0.2 -0.960 6.1-179.5-116.6 122.6 44.8 5.5 36.4 11 1183 A E E -A 20 0A 85 9,-2.6 9,-3.2 -2,-0.5 2,-0.7 -0.961 7.2-168.8-127.4 116.0 41.5 6.9 35.4 12 1184 A A E -A 19 0A 26 -2,-0.5 82,-0.3 7,-0.2 7,-0.2 -0.873 11.9-152.9-108.8 105.4 40.4 7.1 31.8 13 1185 A N E >> -A 18 0A 49 5,-2.4 4,-2.1 -2,-0.7 5,-0.7 -0.661 6.3-165.6 -81.2 116.1 37.3 9.2 31.3 14 1186 A P T 45S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.795 86.4 56.1 -72.6 -28.5 35.4 8.1 28.2 15 1187 A D T 45S+ 0 0 150 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.884 122.4 25.1 -68.3 -40.7 33.3 11.2 28.0 16 1188 A T T 45S- 0 0 89 2,-0.2 -1,-0.2 104,-0.0 3,-0.1 0.641 95.6-131.4 -99.7 -17.9 36.3 13.6 27.9 17 1189 A G T <5 + 0 0 42 -4,-2.1 48,-0.5 1,-0.3 2,-0.4 0.717 63.4 132.6 71.4 22.6 38.9 11.3 26.4 18 1190 A V E < -A 13 0A 30 -5,-0.7 -5,-2.4 46,-0.1 2,-0.6 -0.889 49.2-147.5-112.7 133.2 41.4 12.4 29.1 19 1191 A L E -AB 12 62A 2 43,-2.9 43,-2.3 -2,-0.4 2,-0.5 -0.896 11.3-157.8 -98.2 122.2 43.5 10.1 31.2 20 1192 A T E -AB 11 61A 43 -9,-3.2 -9,-2.6 -2,-0.6 2,-0.5 -0.885 5.7-165.3 -98.9 128.3 44.1 11.3 34.8 21 1193 A V E +AB 10 60A 0 39,-2.9 39,-2.2 -2,-0.5 2,-0.3 -0.971 14.0 173.0-111.7 126.5 47.2 9.8 36.5 22 1194 A S E +AB 9 59A 37 -13,-2.5 -13,-2.7 -2,-0.5 2,-0.3 -0.950 3.6 168.6-133.8 156.9 47.5 10.2 40.2 23 1195 A W E - 0 0 15 35,-2.5 2,-0.5 -2,-0.3 -16,-0.2 -0.944 38.8 -99.3-153.2 169.7 49.9 8.9 42.9 24 1196 A E E -A 6 0A 110 -18,-3.0 -18,-1.8 -2,-0.3 -16,-0.0 -0.884 53.6-107.1 -95.1 130.4 51.0 9.2 46.5 25 1197 A R - 0 0 139 -2,-0.5 33,-0.1 -20,-0.2 -1,-0.1 -0.132 38.2 -93.1 -56.8 151.7 54.1 11.3 46.8 26 1198 A S - 0 0 14 1,-0.1 -1,-0.1 2,-0.1 5,-0.1 -0.259 21.7-131.9 -60.8 150.6 57.5 9.7 47.5 27 1199 A T S S+ 0 0 125 -23,-0.3 -1,-0.1 -24,-0.0 -2,-0.1 0.304 74.1 111.6 -87.5 7.3 58.7 9.5 51.1 28 1200 A T - 0 0 32 -25,-0.4 3,-0.3 1,-0.1 -2,-0.1 -0.745 67.2-135.6 -86.7 129.0 62.2 11.0 50.2 29 1201 A P S S+ 0 0 113 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.860 83.6 33.4 -48.3 -61.1 62.8 14.5 51.6 30 1202 A D S S+ 0 0 126 49,-0.0 2,-0.3 0, 0.0 -2,-0.0 -0.725 72.5 159.5-116.2 86.2 64.3 16.7 48.8 31 1203 A I - 0 0 27 -2,-0.7 48,-0.3 -3,-0.3 24,-0.2 -0.755 38.1-145.7-109.6 149.9 63.0 15.8 45.3 32 1204 A T - 0 0 66 46,-2.0 23,-0.9 -2,-0.3 2,-0.3 0.929 63.7 -80.7 -73.6 -48.1 63.0 17.8 42.1 33 1205 A G E -CD 54 78B 1 45,-1.5 45,-2.6 21,-0.2 2,-0.3 -0.940 49.2 -64.5 174.9-157.4 59.7 16.4 40.7 34 1206 A Y E -CD 53 77B 2 19,-1.9 19,-2.1 -2,-0.3 2,-0.4 -0.923 26.4-151.9-125.6 151.5 58.0 13.5 39.0 35 1207 A R E -CD 52 76B 52 41,-1.9 41,-2.8 -2,-0.3 2,-0.5 -0.994 13.3-168.9-123.9 127.3 58.3 12.1 35.5 36 1208 A I E -CD 51 75B 0 15,-3.0 15,-3.0 -2,-0.4 2,-0.4 -0.975 1.6-170.9-124.1 120.8 55.4 10.3 33.9 37 1209 A T E -CD 50 74B 13 37,-2.0 37,-1.9 -2,-0.5 2,-0.4 -0.865 7.7-162.6-106.9 146.1 55.5 8.2 30.7 38 1210 A T E +CD 49 73B 2 11,-2.4 11,-2.7 -2,-0.4 35,-0.2 -0.988 19.5 169.2-125.1 122.9 52.6 6.7 28.7 39 1211 A T E - D 0 72B 3 33,-2.5 33,-3.6 -2,-0.4 2,-0.2 -0.995 38.4-112.5-137.2 133.4 53.5 4.0 26.2 40 1212 A P E > - D 0 71B 43 0, 0.0 3,-0.8 0, 0.0 31,-0.3 -0.461 31.8-131.0 -62.4 135.5 51.4 1.5 24.1 41 1213 A T T 3 S+ 0 0 52 29,-1.9 3,-0.2 1,-0.2 30,-0.1 0.715 91.7 80.2 -68.7 -26.7 52.1 -2.0 25.5 42 1214 A N T 3 S- 0 0 173 28,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.884 117.3 -23.2 -46.4 -44.7 52.9 -3.8 22.2 43 1215 A G X - 0 0 22 -3,-0.8 3,-0.7 1,-0.1 -1,-0.2 -0.907 48.2-136.5-170.2 140.3 56.4 -2.4 22.3 44 1216 A Q T 3 S+ 0 0 137 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.1 0.736 89.1 88.6 -72.7 -22.7 58.2 0.6 23.8 45 1217 A Q T 3 S+ 0 0 188 -3,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.632 81.6 55.8 -48.3 -34.1 60.0 1.2 20.5 46 1218 A G S < S- 0 0 48 -3,-0.7 2,-0.1 1,-0.2 -2,-0.0 0.317 107.5 -28.0 -81.9-146.5 57.4 3.5 18.9 47 1219 A N + 0 0 151 -8,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.442 60.7 170.1 -70.9 140.9 55.8 6.7 20.1 48 1220 A S - 0 0 67 -9,-0.1 2,-0.3 -2,-0.1 -9,-0.2 -0.965 24.5-128.2-144.1 160.7 55.5 7.4 23.8 49 1221 A L E -C 38 0B 60 -11,-2.7 -11,-2.4 -2,-0.3 2,-0.4 -0.844 16.0-166.2-111.0 149.8 54.5 10.5 25.9 50 1222 A E E -C 37 0B 109 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.999 3.3-174.1-137.2 131.7 56.3 12.1 28.8 51 1223 A E E -C 36 0B 85 -15,-3.0 -15,-3.0 -2,-0.4 2,-0.5 -0.979 8.4-157.4-124.6 137.0 55.0 14.6 31.3 52 1224 A V E -C 35 0B 93 -2,-0.4 2,-0.3 -17,-0.2 -17,-0.2 -0.971 13.6-179.5-118.7 127.7 57.1 16.3 33.9 53 1225 A V E -C 34 0B 20 -19,-2.1 -19,-1.9 -2,-0.5 7,-0.1 -0.800 29.0 -99.5-119.0 162.2 55.6 17.9 37.1 54 1226 A H E > -C 33 0B 143 -2,-0.3 3,-1.4 -21,-0.2 -21,-0.2 -0.215 41.9 -97.7 -74.4 170.7 56.9 19.7 40.1 55 1227 A A T 3 S+ 0 0 35 -23,-0.9 -22,-0.2 1,-0.3 -1,-0.1 0.745 120.2 54.8 -63.0 -28.9 57.6 18.1 43.6 56 1228 A D T 3 S+ 0 0 117 -31,-0.0 2,-0.3 2,-0.0 -1,-0.3 0.561 90.3 95.6 -82.7 -10.0 54.3 19.3 45.1 57 1229 A Q < + 0 0 88 -3,-1.4 -4,-0.1 1,-0.1 3,-0.1 -0.625 41.5 175.6 -89.0 140.0 52.2 17.7 42.3 58 1230 A S + 0 0 47 -2,-0.3 -35,-2.5 -33,-0.1 2,-0.3 0.079 65.3 45.4-129.2 21.4 50.6 14.2 42.7 59 1231 A S E +B 22 0A 53 -37,-0.2 2,-0.3 2,-0.0 -37,-0.2 -0.986 51.4 177.1-155.5 157.3 48.7 14.1 39.4 60 1232 A C E -B 21 0A 10 -39,-2.2 -39,-2.9 -2,-0.3 2,-0.4 -0.973 20.0-130.4-153.7 161.6 48.9 14.8 35.6 61 1233 A T E -B 20 0A 80 -2,-0.3 2,-0.5 -41,-0.2 -41,-0.2 -0.917 7.9-164.9-120.2 142.5 46.7 14.4 32.6 62 1234 A F E -B 19 0A 7 -43,-2.3 -43,-2.9 -2,-0.4 3,-0.4 -0.984 8.1-177.2-119.3 118.7 47.1 13.0 29.1 63 1235 A D + 0 0 121 -2,-0.5 -1,-0.1 -45,-0.2 -43,-0.0 0.321 67.7 60.7 -99.7 7.8 44.4 14.1 26.7 64 1236 A N + 0 0 96 -45,-0.1 -1,-0.2 2,-0.1 -46,-0.1 0.116 61.3 136.9-129.4 23.4 45.3 12.2 23.5 65 1237 A L - 0 0 21 -48,-0.5 6,-0.0 -3,-0.4 -27,-0.0 -0.309 56.8-112.0 -68.6 156.3 45.2 8.4 24.2 66 1238 A S > - 0 0 53 4,-0.0 3,-1.3 29,-0.0 2,-0.2 -0.789 29.6-119.5 -89.0 129.4 43.6 6.1 21.6 67 1239 A P T 3 S+ 0 0 20 0, 0.0 27,-0.2 0, 0.0 28,-0.2 -0.514 98.8 24.7 -65.6 137.0 40.4 4.5 22.7 68 1240 A G T 3 S+ 0 0 45 25,-3.0 2,-0.3 1,-0.3 26,-0.1 0.155 95.4 112.3 96.6 -19.5 40.8 0.7 22.7 69 1241 A L < - 0 0 84 -3,-1.3 2,-0.4 24,-0.1 -1,-0.3 -0.685 64.3-127.4 -89.5 142.9 44.6 0.6 23.0 70 1242 A E - 0 0 76 -2,-0.3 -29,-1.9 22,-0.2 2,-0.4 -0.692 29.5-169.4 -86.9 136.7 46.4 -0.7 26.1 71 1243 A Y E -DE 40 91B 19 20,-2.4 20,-2.0 -2,-0.4 2,-0.5 -0.979 20.8-139.4-129.4 142.0 49.0 1.6 27.7 72 1244 A N E -DE 39 90B 41 -33,-3.6 -33,-2.5 -2,-0.4 2,-0.5 -0.867 20.2-163.4 -91.1 128.0 51.7 1.2 30.3 73 1245 A V E -DE 38 89B 0 16,-3.2 16,-1.8 -2,-0.5 2,-0.4 -0.975 8.2-175.1-112.8 127.0 51.9 4.3 32.6 74 1246 A S E -DE 37 88B 4 -37,-1.9 -37,-2.0 -2,-0.5 2,-0.4 -0.965 9.8-160.6-123.2 137.2 55.0 4.7 34.7 75 1247 A V E -DE 36 87B 0 12,-1.9 12,-1.8 -2,-0.4 2,-0.4 -0.982 9.4-165.8-122.4 128.5 55.8 7.3 37.4 76 1248 A Y E -D 35 0B 43 -41,-2.8 -41,-1.9 -2,-0.4 2,-0.3 -0.933 19.3-132.8-116.0 129.9 59.3 8.1 38.5 77 1249 A T E -D 34 0B 0 -2,-0.4 7,-2.6 8,-0.3 2,-0.5 -0.655 28.9-153.1 -71.3 133.5 60.5 10.1 41.5 78 1250 A V E +DF 33 83B 20 -45,-2.6 -46,-2.0 -2,-0.3 -45,-1.5 -0.963 21.2 179.4-115.9 125.8 63.2 12.6 40.4 79 1251 A K E > - F 0 82B 69 3,-2.2 3,-2.9 -2,-0.5 2,-0.6 -0.847 60.1 -84.0-121.1 93.9 66.0 14.0 42.5 80 1252 A D T 3 S+ 0 0 134 -2,-0.5 -1,-0.1 1,-0.3 -49,-0.0 -0.277 120.8 9.5 49.2 -95.8 68.0 16.4 40.3 81 1253 A D T 3 S+ 0 0 159 -2,-0.6 -1,-0.3 -3,-0.1 2,-0.2 0.609 126.9 64.9 -84.5 -14.3 70.4 14.0 38.5 82 1254 A K E < -F 79 0B 148 -3,-2.9 -3,-2.2 0, 0.0 2,-0.3 -0.605 58.0-156.9-118.3 168.7 68.7 10.8 39.7 83 1255 A E E -F 78 0B 88 -5,-0.2 -5,-0.2 -2,-0.2 -81,-0.2 -0.995 18.2-122.9-143.6 146.8 65.4 8.8 39.5 84 1256 A S - 0 0 7 -7,-2.6 -81,-0.1 -2,-0.3 3,-0.1 -0.385 44.6 -88.9 -76.2 161.2 63.6 6.2 41.5 85 1257 A V - 0 0 105 -83,-0.5 -8,-0.3 1,-0.1 -1,-0.1 -0.522 62.8-108.3 -60.5 142.6 62.6 2.8 40.2 86 1258 A P - 0 0 53 0, 0.0 2,-0.5 0, 0.0 -10,-0.2 -0.241 12.9-131.9 -80.4 164.5 59.1 3.5 38.7 87 1259 A I E -E 75 0B 44 -12,-1.8 -12,-1.9 -3,-0.1 2,-0.3 -0.984 37.4-170.3-107.2 128.3 55.6 2.5 39.7 88 1260 A S E +E 74 0B 56 -2,-0.5 2,-0.3 -14,-0.2 -14,-0.2 -0.823 20.5 160.8-124.7 156.3 53.7 1.1 36.8 89 1261 A D E -E 73 0B 78 -16,-1.8 -16,-3.2 -2,-0.3 2,-0.3 -0.964 27.1-127.2-161.6 158.1 50.2 0.0 35.7 90 1262 A T E -E 72 0B 67 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.812 21.7-177.7-109.1 152.3 48.3 -0.6 32.5 91 1263 A I E -E 71 0B 30 -20,-2.0 -20,-2.4 -2,-0.3 -80,-0.1 -0.993 17.9-153.4-145.0 147.5 45.0 0.8 31.3 92 1264 A I - 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