==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 26-NOV-09 2WZA . COMPND 2 MOLECULE: AGGLUTININ RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS GORDONII; . AUTHOR N.FORSGREN,R.J.LAMONT,K.PERSSON . 338 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 34.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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-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 . 39 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 3 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 1 2 6 3 3 1 2 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 1 1 3 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 1076 A N 0 0 150 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 49.9 25.5 36.1 19.2 2 1077 A Y + 0 0 201 2,-0.1 2,-0.7 0, 0.0 36,-0.3 -0.875 360.0 15.9 -90.5 -26.8 24.3 38.4 20.5 3 1078 A I S S+ 0 0 41 -2,-0.2 33,-0.1 34,-0.1 0, 0.0 -0.941 80.8 160.2-104.0 108.2 20.8 38.4 19.1 4 1079 A K - 0 0 115 -2,-0.7 166,-0.1 164,-0.1 32,-0.1 -0.735 22.4-169.2-138.6 83.7 20.6 34.9 17.7 5 1080 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 166,-0.2 -0.437 20.4-156.9 -63.4 152.2 17.3 33.3 17.0 6 1081 A T E -A 33 0A 47 27,-0.6 27,-2.4 164,-0.2 2,-0.4 -0.975 15.3-161.2-131.0 153.3 17.7 29.6 16.2 7 1082 A K E +A 32 0A 7 -2,-0.3 2,-0.3 25,-0.2 25,-0.2 -0.996 14.9 168.7-131.2 130.5 15.7 26.9 14.3 8 1083 A V E -A 31 0A 36 23,-2.1 23,-2.6 -2,-0.4 2,-0.4 -0.929 27.8-130.4-127.3 157.5 16.1 23.2 14.7 9 1084 A N - 0 0 0 -2,-0.3 8,-2.7 21,-0.2 9,-0.4 -0.916 28.4-177.5-103.6 138.0 14.1 20.3 13.5 10 1085 A K B -F 16 0B 54 -2,-0.4 19,-2.8 6,-0.3 6,-0.2 -0.915 20.9-127.4-127.5 159.6 13.1 17.5 15.9 11 1086 A N > - 0 0 12 4,-1.7 3,-2.8 -2,-0.3 17,-0.1 -0.498 47.4 -85.2 -90.2 173.5 11.2 14.2 15.7 12 1087 A K T 3 S+ 0 0 145 1,-0.3 211,-0.1 15,-0.2 16,-0.0 0.767 131.2 51.7 -44.2 -37.3 8.3 13.3 18.0 13 1088 A E T 3 S- 0 0 167 2,-0.1 -1,-0.3 1,-0.0 210,-0.0 0.420 121.7-106.8 -84.6 -1.0 10.8 12.1 20.7 14 1089 A G < + 0 0 40 -3,-2.8 2,-0.4 1,-0.3 -2,-0.1 0.666 67.7 149.1 85.2 18.3 12.7 15.3 20.5 15 1090 A L - 0 0 82 207,-0.1 -4,-1.7 1,-0.1 2,-0.4 -0.691 55.2-109.1 -81.0 135.8 15.8 14.1 18.7 16 1091 A N B +F 10 0B 74 -2,-0.4 -6,-0.3 -6,-0.2 -1,-0.1 -0.505 39.6 174.7 -63.3 121.4 17.5 16.6 16.5 17 1092 A I > + 0 0 0 -8,-2.7 3,-2.1 -2,-0.4 -7,-0.2 0.030 15.8 151.5-121.2 27.3 16.9 15.6 12.8 18 1093 A D T 3 S+ 0 0 62 -9,-0.4 157,-0.2 1,-0.3 3,-0.1 -0.389 77.6 7.4 -59.7 133.5 18.4 18.5 10.9 19 1094 A G T 3 S+ 0 0 47 155,-2.3 -1,-0.3 1,-0.2 156,-0.2 0.472 102.0 133.3 77.0 2.5 19.6 17.3 7.5 20 1095 A K < - 0 0 33 -3,-2.1 156,-1.6 154,-0.2 2,-0.3 -0.411 65.8 -99.7 -86.5 160.3 18.0 13.8 8.0 21 1096 A E B -gh 176 221C 42 199,-2.6 201,-1.6 198,-0.3 2,-0.5 -0.627 39.5-161.1 -71.1 132.6 15.8 11.8 5.6 22 1097 A V - 0 0 0 154,-3.3 3,-0.1 -2,-0.3 2,-0.1 -0.966 11.9-131.2-125.1 119.3 12.2 12.3 6.6 23 1098 A L > - 0 0 3 -2,-0.5 3,-2.4 154,-0.2 121,-0.2 -0.331 33.7 -94.5 -67.4 142.8 9.6 9.8 5.4 24 1099 A A T 3 S+ 0 0 2 154,-0.3 122,-0.1 1,-0.3 303,-0.1 -0.252 116.6 32.8 -49.5 139.1 6.4 10.9 3.8 25 1100 A G T 3 S+ 0 0 38 119,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.302 93.1 122.8 90.4 -10.4 3.8 11.1 6.6 26 1101 A S < - 0 0 4 -3,-2.4 118,-3.2 119,-0.1 2,-0.4 -0.511 59.1-126.1 -79.8 154.5 6.3 12.1 9.2 27 1102 A T E - B 0 143A 10 116,-0.3 2,-0.8 -2,-0.2 116,-0.2 -0.844 6.2-143.9-104.2 139.1 6.1 15.3 11.2 28 1103 A N E - B 0 142A 0 114,-3.0 114,-2.2 -2,-0.4 2,-1.7 -0.900 10.4-159.0 -97.1 107.8 8.8 17.9 11.5 29 1104 A Y E - B 0 141A 42 -19,-2.8 -19,-0.2 -2,-0.8 -21,-0.1 -0.499 19.0-167.4 -90.1 68.9 8.6 19.2 15.1 30 1105 A Y E - B 0 140A 0 -2,-1.7 110,-2.7 110,-0.6 2,-0.5 -0.263 6.8-157.7 -61.6 138.3 10.4 22.5 14.3 31 1106 A E E -AB 8 139A 53 -23,-2.6 -23,-2.1 108,-0.2 2,-0.4 -0.987 7.0-170.1-123.6 120.2 11.6 24.5 17.3 32 1107 A L E -AB 7 138A 0 106,-2.8 106,-3.5 -2,-0.5 2,-0.4 -0.913 10.2-148.4-108.4 132.1 12.2 28.2 17.0 33 1108 A T E -AB 6 137A 36 -27,-2.4 2,-0.8 -2,-0.4 -27,-0.6 -0.870 4.3-150.8-104.8 136.8 13.9 30.2 19.7 34 1109 A W E - B 0 136A 0 102,-3.5 102,-2.0 -2,-0.4 2,-0.9 -0.928 21.0-147.7-103.9 106.7 13.0 33.9 20.3 35 1110 A D + 0 0 18 -2,-0.8 99,-0.1 100,-0.2 100,-0.0 -0.701 42.1 142.2 -92.8 106.0 16.3 35.2 21.7 36 1111 A L > + 0 0 0 -2,-0.9 3,-1.9 97,-0.1 4,-0.3 0.471 37.8 98.3-119.5 -9.7 15.5 37.9 24.2 37 1112 A D G > S+ 0 0 94 1,-0.3 3,-1.5 2,-0.2 -34,-0.1 0.822 78.3 59.0 -59.5 -36.1 18.0 37.5 27.0 38 1113 A Q G 3 S+ 0 0 48 -36,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.659 98.7 63.6 -67.5 -14.3 20.5 40.2 25.7 39 1114 A Y G X S+ 0 0 23 -3,-1.9 3,-2.1 91,-0.1 -1,-0.3 0.614 72.5 127.9 -83.2 -11.4 17.6 42.7 26.0 40 1115 A K T < S- 0 0 144 -3,-1.5 92,-0.2 -4,-0.3 91,-0.2 -0.197 81.2 -2.1 -58.6 126.4 17.2 42.4 29.8 41 1116 A G T 3 S+ 0 0 67 90,-2.6 -1,-0.3 1,-0.3 2,-0.1 0.449 98.7 127.3 76.6 -0.2 17.3 45.6 31.7 42 1117 A D < - 0 0 88 -3,-2.1 2,-0.4 88,-0.2 -1,-0.3 -0.483 53.6-134.1 -79.3 159.2 17.9 47.7 28.6 43 1118 A K - 0 0 191 -2,-0.1 2,-0.4 -3,-0.1 -3,-0.0 -0.936 20.7-174.0-114.8 144.0 15.7 50.7 27.9 44 1119 A S - 0 0 39 -2,-0.4 87,-0.0 3,-0.0 -2,-0.0 -0.984 30.4-101.2-133.0 144.2 14.2 51.4 24.5 45 1120 A S > - 0 0 62 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.215 28.5-117.7 -57.1 150.8 12.1 54.4 23.4 46 1121 A K H > S+ 0 0 181 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.863 118.2 60.0 -49.5 -39.5 8.4 54.1 23.1 47 1122 A E H 4 S+ 0 0 159 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.931 105.9 43.8 -61.0 -47.8 9.1 54.7 19.4 48 1123 A A H >4 S+ 0 0 25 1,-0.2 3,-2.0 2,-0.2 4,-0.3 0.951 112.5 53.0 -60.4 -49.0 11.3 51.6 19.0 49 1124 A I H >< S+ 0 0 17 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.847 101.6 61.1 -54.1 -37.8 8.8 49.5 21.0 50 1125 A Q T 3< S+ 0 0 120 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.647 86.4 72.7 -67.9 -15.8 6.1 50.6 18.7 51 1126 A N T < S- 0 0 87 -3,-2.0 -1,-0.3 -4,-0.5 114,-0.2 0.625 102.5-148.7 -70.4 -12.2 7.9 49.0 15.8 52 1127 A G < - 0 0 0 -3,-1.9 112,-2.0 -4,-0.3 113,-0.8 0.072 5.2 -84.0 78.0-179.9 6.7 45.8 17.4 53 1128 A F E +J 163 0D 0 66,-0.2 66,-2.3 110,-0.2 2,-0.3 -0.997 48.1 159.6-136.2 119.5 7.9 42.3 17.9 54 1129 A Y E -JK 162 118D 52 108,-2.6 108,-3.0 -2,-0.4 2,-0.4 -0.925 27.1-151.8-138.1 159.9 7.3 39.5 15.3 55 1130 A Y E -JK 161 117D 0 62,-1.9 62,-3.2 -2,-0.3 2,-0.4 -0.988 15.8-159.6-134.1 125.1 8.6 36.1 14.3 56 1131 A V E -JK 160 116D 0 104,-2.8 104,-2.4 -2,-0.4 2,-0.5 -0.869 6.5-167.2-104.3 135.2 8.4 35.0 10.7 57 1132 A D E -JK 159 115D 0 58,-2.5 58,-2.5 -2,-0.4 2,-1.6 -0.929 5.3-163.4-120.3 107.5 8.5 31.3 9.6 58 1133 A D E -J 158 0D 10 100,-1.8 100,-1.0 -2,-0.5 56,-0.2 -0.656 24.3-173.9 -81.9 79.7 9.0 31.0 5.9 59 1134 A Y - 0 0 15 -2,-1.6 2,-1.5 98,-0.2 98,-0.1 -0.437 34.3-104.5 -79.5 152.7 8.0 27.3 5.7 60 1135 A P >> - 0 0 22 0, 0.0 4,-2.0 0, 0.0 3,-2.0 -0.574 37.8-177.5 -81.9 88.1 8.2 25.2 2.5 61 1136 A E T 34 S+ 0 0 52 -2,-1.5 51,-0.1 50,-0.3 53,-0.1 0.721 74.3 66.2 -60.5 -25.5 4.5 25.1 1.6 62 1137 A E T 34 S+ 0 0 150 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.693 117.5 23.6 -70.9 -16.2 5.1 22.8 -1.5 63 1138 A A T <4 S+ 0 0 3 -3,-2.0 82,-1.7 1,-0.2 2,-0.3 0.681 116.1 51.9-120.9 -31.8 6.2 20.0 0.8 64 1139 A L E < -C 144 0A 2 -4,-2.0 2,-0.5 80,-0.2 80,-0.2 -0.856 55.7-146.8-122.1 150.6 4.7 20.4 4.3 65 1140 A D E -C 143 0A 78 78,-1.8 78,-2.9 -2,-0.3 2,-0.1 -0.971 27.5-125.4-110.8 126.5 1.4 21.0 6.0 66 1141 A V E -C 142 0A 31 -2,-0.5 76,-0.2 76,-0.2 3,-0.1 -0.449 10.0-142.1 -64.7 134.9 1.3 23.0 9.2 67 1142 A R >> - 0 0 103 74,-2.2 3,-3.1 1,-0.2 4,-0.7 -0.669 22.4-168.7 -96.3 76.4 -0.4 21.2 12.1 68 1143 A P G >4 S+ 0 0 100 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.668 76.9 52.8 -44.7 -40.9 -2.1 24.4 13.4 69 1144 A D G 34 S+ 0 0 163 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.411 105.7 54.8 -85.5 3.8 -3.2 23.1 16.8 70 1145 A L G <4 S+ 0 0 70 -3,-3.1 2,-0.4 71,-0.2 -1,-0.2 0.587 80.7 108.3-100.1 -16.1 0.2 21.8 17.7 71 1146 A V << + 0 0 27 -3,-0.7 2,-0.4 -4,-0.7 69,-0.2 -0.470 49.3 173.8 -64.2 117.5 1.8 25.2 17.2 72 1147 A K E -D 139 0A 123 67,-2.0 67,-2.9 -2,-0.4 2,-0.6 -0.972 29.0-152.9-127.5 144.1 2.7 26.6 20.6 73 1148 A V E +D 138 0A 20 -2,-0.4 8,-2.3 8,-0.2 2,-0.3 -0.971 32.2 160.7-109.8 120.7 4.5 29.7 21.9 74 1149 A A E -DE 137 80A 17 63,-3.1 63,-3.4 -2,-0.6 6,-0.2 -0.860 40.3-117.4-126.6 163.7 6.1 29.1 25.3 75 1150 A D E > -D 136 0A 8 4,-2.1 3,-1.2 -2,-0.3 61,-0.2 -0.367 49.9 -94.0 -81.8-180.0 8.8 30.6 27.4 76 1151 A E T 3 S+ 0 0 139 59,-0.9 60,-0.1 1,-0.3 -1,-0.0 0.784 125.7 62.5 -71.6 -29.4 11.8 28.2 28.2 77 1152 A K T 3 S- 0 0 139 2,-0.1 -1,-0.3 1,-0.1 59,-0.0 0.437 122.3-107.7 -73.4 -0.4 10.3 27.1 31.5 78 1153 A G < + 0 0 49 -3,-1.2 2,-0.2 1,-0.3 -2,-0.1 0.348 69.3 148.9 91.9 -5.1 7.4 25.8 29.3 79 1154 A N - 0 0 88 1,-0.1 -4,-2.1 -5,-0.1 -1,-0.3 -0.439 52.9-109.8 -69.1 130.2 4.9 28.4 30.4 80 1155 A Q B -E 74 0A 182 -2,-0.2 2,-0.5 -6,-0.2 -6,-0.2 -0.309 28.5-140.8 -59.8 130.9 2.3 29.3 27.8 81 1156 A V - 0 0 17 -8,-2.3 2,-0.3 -6,-0.1 3,-0.3 -0.838 16.8-169.0 -95.9 125.8 2.7 32.8 26.3 82 1157 A S + 0 0 104 -2,-0.5 3,-0.1 1,-0.1 37,-0.0 -0.830 64.4 55.0-106.9 156.1 -0.4 34.8 25.6 83 1158 A G S S+ 0 0 29 -2,-0.3 37,-3.1 1,-0.3 38,-0.6 0.413 85.6 97.0 103.7 0.0 -0.4 38.1 23.7 84 1159 A V E -L 119 0D 21 -3,-0.3 -1,-0.3 35,-0.3 35,-0.2 -0.989 52.3-177.4-118.8 120.3 1.3 36.5 20.6 85 1160 A S E -L 118 0D 53 33,-2.3 33,-2.7 -2,-0.5 2,-0.4 -0.652 13.6-139.0-110.3 173.1 -1.0 35.4 17.8 86 1161 A V E -L 117 0D 65 31,-0.2 2,-0.4 -2,-0.2 31,-0.2 -0.995 12.9-173.3-141.8 138.7 -0.2 33.7 14.5 87 1162 A Q E -L 116 0D 107 29,-2.3 29,-2.4 -2,-0.4 2,-0.3 -0.994 15.0-145.5-132.7 124.4 -1.4 34.1 11.0 88 1163 A Q E -L 115 0D 67 -2,-0.4 2,-0.4 27,-0.2 27,-0.2 -0.712 15.7-166.1 -87.4 138.5 -0.6 32.0 8.0 89 1164 A Y E -L 114 0D 30 25,-2.6 25,-2.1 -2,-0.3 3,-0.1 -0.999 19.1-152.0-128.3 129.2 -0.4 33.8 4.6 90 1165 A D S S- 0 0 122 -2,-0.4 2,-0.3 23,-0.2 -1,-0.1 0.786 82.9 -2.9 -75.0 -24.9 -0.4 31.9 1.4 91 1166 A S - 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