==== 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/IMMUNE SYSTEM 10-OCT-07 2VDN . COMPND 2 MOLECULE: INTEGRIN ALPHA-IIB; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.A.SPRINGER,J.ZHU,T.XIAO . 1345 8 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 861 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 388 28.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 111 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.0 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 4 0 3 2 1 0 3 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 1 1 1 1 3 0 1 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 . 9 9 7 13 18 12 1 1 3 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 . 3 2 9 6 0 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 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 L 0 0 104 0, 0.0 405,-0.1 0, 0.0 366,-0.0 0.000 360.0 360.0 360.0 -27.8 126.7 -2.8 79.9 2 2 A N + 0 0 24 403,-0.1 449,-2.6 2,-0.1 2,-0.5 0.113 360.0 126.3-134.4 20.8 129.9 -2.0 77.9 3 3 A L B -A 450 0A 1 447,-0.2 447,-0.2 1,-0.0 388,-0.1 -0.746 65.4-120.4 -77.4 124.8 130.3 1.7 77.6 4 4 A D - 0 0 32 445,-3.0 445,-0.5 -2,-0.5 -2,-0.1 -0.559 31.1-178.5 -73.6 112.7 133.9 2.4 78.8 5 5 A P S S+ 0 0 70 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.620 78.3 55.4 -85.5 -13.2 133.7 4.8 81.8 6 6 A V S S+ 0 0 110 1,-0.2 2,-1.5 2,-0.0 -2,-0.0 0.954 100.6 54.3 -81.5 -58.2 137.5 4.9 82.3 7 7 A Q S S+ 0 0 113 442,-0.1 442,-0.5 2,-0.0 2,-0.2 -0.610 78.5 161.9 -83.6 84.5 138.6 6.1 78.8 8 8 A L - 0 0 34 -2,-1.5 2,-0.4 -3,-0.2 440,-0.2 -0.657 31.6-142.8-101.8 161.2 136.6 9.2 78.3 9 9 A T E -B 447 0B 1 438,-1.3 438,-2.4 -2,-0.2 2,-0.5 -0.995 13.1-157.5-123.9 127.6 137.0 12.1 75.9 10 10 A F E -B 446 0B 77 51,-0.5 53,-1.1 -2,-0.4 2,-0.4 -0.920 6.7-170.7-110.0 122.0 136.2 15.7 77.0 11 11 A Y E -Bc 445 63B 0 434,-2.4 434,-2.5 -2,-0.5 2,-0.4 -0.911 15.8-161.0-102.7 139.1 135.4 18.6 74.6 12 12 A A E -Bc 444 64B 23 51,-1.5 53,-0.5 -2,-0.4 432,-0.2 -0.951 13.5-172.2-127.5 141.7 135.2 22.1 76.1 13 13 A G - 0 0 11 430,-2.6 3,-0.1 -2,-0.4 5,-0.1 -0.556 45.2 -61.9-112.1-176.0 133.7 25.5 75.2 14 14 A P > - 0 0 58 0, 0.0 3,-1.7 0, 0.0 5,-0.4 -0.231 64.6 -80.3 -71.0 157.2 134.1 28.9 76.8 15 15 A N T 3 S+ 0 0 157 1,-0.3 427,-0.1 2,-0.1 428,-0.0 -0.263 113.1 5.7 -54.6 134.2 133.1 29.8 80.4 16 16 A G T 3 S+ 0 0 47 425,-0.2 -1,-0.3 424,-0.1 426,-0.0 0.540 96.3 113.7 70.3 9.3 129.4 30.6 80.8 17 17 A S S < S- 0 0 2 -3,-1.7 24,-1.9 23,-0.1 25,-0.6 0.524 77.5-130.7 -88.8 -8.5 128.6 29.6 77.2 18 18 A Q > - 0 0 23 422,-0.4 3,-1.7 1,-0.2 2,-0.3 0.839 33.5-172.5 55.5 35.6 126.6 26.5 78.2 19 19 A F T 3 S+ 0 0 0 -5,-0.4 420,-0.3 1,-0.3 20,-0.2 -0.462 70.8 33.7 -57.5 116.9 128.6 24.5 75.7 20 20 A G T 3 S+ 0 0 0 18,-2.2 420,-0.4 2,-0.4 -1,-0.3 0.509 72.7 124.1 105.8 10.5 126.8 21.1 75.6 21 21 A F S < S+ 0 0 6 -3,-1.7 2,-0.3 17,-1.2 18,-0.1 0.827 90.2 7.3 -66.1 -32.9 123.2 22.3 76.1 22 22 A S E S+F 38 0C 12 16,-0.8 16,-3.5 -4,-0.2 -2,-0.4 -0.985 76.0 166.8-145.4 151.9 122.5 20.5 72.9 23 23 A L E +F 37 0C 4 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.988 7.8 176.9-159.3 162.7 124.5 18.1 70.7 24 24 A D E -F 36 0C 12 12,-2.0 12,-2.7 -2,-0.3 2,-0.4 -0.973 36.4 -99.3-160.8 159.5 124.3 15.6 67.8 25 25 A F E -F 35 0C 14 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.726 36.5-161.8 -80.6 136.2 126.4 13.5 65.6 26 26 A H E -F 34 0C 6 8,-2.6 8,-3.7 -2,-0.4 2,-0.5 -0.990 3.5-160.8-122.9 136.3 127.2 15.0 62.2 27 27 A K E -F 33 0C 120 74,-0.5 6,-0.2 -2,-0.4 5,-0.1 -0.957 10.4-145.2-120.9 117.4 128.4 12.9 59.2 28 28 A D > - 0 0 42 4,-2.0 3,-1.4 -2,-0.5 74,-0.1 -0.181 36.7 -94.7 -73.2 171.2 130.1 14.6 56.2 29 29 A S T 3 S+ 0 0 87 1,-0.3 -1,-0.1 2,-0.1 73,-0.0 0.812 126.5 57.0 -59.1 -31.4 129.7 13.5 52.6 30 30 A H T 3 S- 0 0 166 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.720 120.4-109.3 -70.9 -23.3 132.9 11.4 52.9 31 31 A G < + 0 0 39 -3,-1.4 2,-0.3 1,-0.3 -2,-0.1 0.194 68.2 145.8 113.7 -12.9 131.4 9.5 55.9 32 32 A R - 0 0 186 -5,-0.1 -4,-2.0 1,-0.1 2,-0.3 -0.414 42.8-138.2 -63.1 119.4 133.6 11.1 58.7 33 33 A V E +F 27 0C 18 -2,-0.3 25,-0.8 394,-0.2 -6,-0.2 -0.635 28.2 170.5 -83.1 132.8 131.6 11.4 61.9 34 34 A A E -FG 26 57C 12 -8,-3.7 -8,-2.6 -2,-0.3 2,-0.5 -0.745 31.4-114.4-125.7 177.8 131.9 14.6 63.9 35 35 A I E -FG 25 56C 0 21,-3.2 21,-3.3 -10,-0.2 2,-0.5 -0.979 18.3-154.0-121.4 121.0 130.0 16.1 66.9 36 36 A V E -FG 24 55C 0 -12,-2.7 -12,-2.0 -2,-0.5 2,-0.4 -0.808 16.0-166.0 -91.3 130.3 128.0 19.3 66.6 37 37 A V E -FG 23 54C 0 17,-3.0 17,-2.6 -2,-0.5 2,-0.3 -0.971 11.2-144.6-122.6 132.5 127.6 21.1 70.0 38 38 A G E -FG 22 53C 0 -16,-3.5 -18,-2.2 -2,-0.4 -17,-1.2 -0.763 13.8-178.1 -93.8 141.1 125.2 23.9 70.8 39 39 A A E > - G 0 52C 0 13,-2.6 3,-2.0 54,-0.5 13,-1.1 -0.620 2.1-177.0-140.0 75.6 126.4 26.7 73.2 40 40 A P T 3 S+ 0 0 7 0, 0.0 52,-0.4 0, 0.0 53,-0.3 0.488 77.9 47.6 -66.0 -9.3 123.4 29.1 73.7 41 41 A R T 3 S+ 0 0 85 -24,-1.9 -23,-0.2 51,-0.1 2,-0.1 0.171 75.5 137.2-115.9 19.3 125.1 31.7 75.9 42 42 A T < - 0 0 19 -3,-2.0 9,-2.9 -25,-0.6 8,-2.2 -0.382 59.3-113.3 -59.4 136.6 128.3 32.1 73.9 43 43 A L B -I 49 0D 99 6,-0.2 6,-0.3 7,-0.2 -1,-0.1 -0.551 27.9-132.1 -72.3 136.7 129.3 35.8 73.7 44 44 A G > - 0 0 13 4,-3.4 3,-1.3 -2,-0.2 -1,-0.1 -0.048 39.8 -83.2 -71.6-174.3 129.1 37.3 70.2 45 45 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.733 130.0 53.3 -68.6 -21.1 132.0 39.4 68.7 46 46 A S T 3 S- 0 0 104 2,-0.2 3,-0.1 0, 0.0 -2,-0.0 -0.017 121.8-102.1-102.8 27.5 130.8 42.5 70.5 47 47 A Q S < S+ 0 0 170 -3,-1.3 2,-0.4 1,-0.2 -4,-0.1 0.694 85.1 123.1 60.2 24.9 130.7 40.9 74.0 48 48 A E S S- 0 0 100 -6,-0.0 -4,-3.4 41,-0.0 2,-0.3 -0.926 71.2-102.4-114.1 141.7 126.9 40.4 73.9 49 49 A E B +I 43 0D 66 -2,-0.4 41,-3.7 -6,-0.3 42,-0.3 -0.448 57.8 142.2 -67.3 120.2 125.3 37.0 74.4 50 50 A T - 0 0 11 -8,-2.2 43,-2.2 -2,-0.3 -7,-0.2 0.508 53.2-125.7-121.9 -21.8 124.1 35.5 71.1 51 51 A G B -j 93 0E 2 -9,-2.9 2,-0.3 41,-0.2 43,-0.2 -0.173 26.6-145.8 85.9 168.0 124.9 31.9 71.6 52 52 A G E -G 39 0C 7 -13,-1.1 -13,-2.6 41,-1.1 2,-0.4 -0.980 7.9-125.0-163.5 169.9 127.0 29.8 69.2 53 53 A V E -G 38 0C 1 15,-0.4 15,-2.7 -2,-0.3 2,-0.4 -0.969 17.2-162.2-128.2 141.0 127.6 26.4 67.5 54 54 A F E -GH 37 67C 20 -17,-2.6 -17,-3.0 -2,-0.4 2,-0.6 -0.964 9.4-150.6-124.9 140.3 130.8 24.3 67.4 55 55 A L E -G 36 0C 34 11,-2.1 -19,-0.2 -2,-0.4 -2,-0.0 -0.909 18.5-163.6-113.8 104.3 131.7 21.4 65.1 56 56 A a E -G 35 0C 0 -21,-3.3 -21,-3.2 -2,-0.6 2,-0.3 -0.725 8.8-145.1 -92.0 128.0 134.0 19.0 66.8 57 57 A P E -G 34 0C 57 0, 0.0 2,-0.3 0, 0.0 -23,-0.2 -0.657 39.6 -89.8 -85.0 151.4 136.0 16.4 64.8 58 58 A W + 0 0 57 -25,-0.8 2,-0.3 -2,-0.3 3,-0.1 -0.436 57.8 158.6 -68.6 124.0 136.5 13.0 66.5 59 59 A R - 0 0 71 -2,-0.3 4,-0.1 1,-0.1 369,-0.0 -0.992 43.3-138.0-140.6 143.5 139.7 12.8 68.7 60 60 A A S S+ 0 0 53 -2,-0.3 -50,-0.1 1,-0.2 -1,-0.1 0.906 110.3 42.3 -63.6 -41.8 140.6 10.5 71.5 61 61 A E S S- 0 0 146 1,-0.2 -51,-0.5 -52,-0.1 -1,-0.2 0.718 93.3-169.2 -76.3 -24.2 142.1 13.4 73.5 62 62 A G + 0 0 7 -53,-0.1 2,-0.3 -5,-0.1 -51,-0.2 -0.297 19.3 147.1 64.5-152.4 139.3 15.8 72.6 63 63 A G E +c 11 0B 26 -53,-1.1 -51,-1.5 -4,-0.1 2,-0.1 -0.944 48.8 2.8 128.3-146.6 139.8 19.5 73.5 64 64 A Q E -c 12 0B 134 -2,-0.3 -51,-0.1 -53,-0.2 -2,-0.0 -0.474 61.6-148.5 -80.2 148.8 138.7 22.8 71.9 65 65 A a - 0 0 18 -53,-0.5 2,-0.2 -2,-0.1 -9,-0.2 -0.844 17.9-106.6-118.5 153.9 136.4 22.9 68.8 66 66 A P - 0 0 79 0, 0.0 -11,-2.1 0, 0.0 2,-0.3 -0.530 37.0-114.3 -76.8 145.0 136.1 25.4 65.9 67 67 A S B -H 54 0C 66 -13,-0.2 2,-0.9 -2,-0.2 -13,-0.3 -0.634 15.8-134.7 -82.3 133.7 133.1 27.7 65.8 68 68 A L - 0 0 18 -15,-2.7 -15,-0.4 -2,-0.3 -1,-0.0 -0.798 36.3-128.0 -86.4 103.5 130.6 27.1 62.9 69 69 A L + 0 0 131 -2,-0.9 2,-0.3 -17,-0.1 -17,-0.0 -0.254 34.1 172.4 -69.1 138.4 130.1 30.8 61.9 70 70 A F - 0 0 24 63,-0.0 2,-0.6 70,-0.0 63,-0.0 -0.937 43.4 -90.4-135.5 157.6 126.6 32.4 61.5 71 71 A D + 0 0 84 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.589 39.8 175.6 -71.1 116.2 125.4 36.0 60.9 72 72 A L + 0 0 49 -2,-0.6 2,-0.4 2,-0.1 16,-0.2 0.193 42.2 112.1-107.2 14.5 125.0 37.6 64.3 73 73 A R - 0 0 196 14,-0.1 -2,-0.0 1,-0.1 14,-0.0 -0.739 68.9-120.9 -89.4 135.0 124.1 41.1 63.0 74 74 A D - 0 0 79 -2,-0.4 2,-0.4 1,-0.0 13,-0.1 -0.289 28.4-140.9 -66.5 158.3 120.6 42.4 63.5 75 75 A E - 0 0 32 11,-0.4 11,-2.4 2,-0.0 2,-0.4 -0.940 16.6-171.5-128.1 146.3 118.6 43.3 60.4 76 76 A T E -K 85 0F 94 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.998 3.9-174.6-133.4 135.8 116.1 46.0 59.5 77 77 A R E -K 84 0F 4 7,-2.1 7,-2.9 -2,-0.4 2,-1.1 -0.961 13.8-160.6-134.6 118.7 114.0 46.2 56.4 78 78 A N E +K 83 0F 77 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.773 42.5 139.7 -94.3 89.6 111.8 49.2 55.4 79 79 A V E > +K 82 0F 0 -2,-1.1 3,-1.8 3,-0.6 1151,-0.3 -0.950 55.7 12.6-133.3 149.0 109.5 47.5 52.9 80 80 A G T 3 S- 0 0 3 1149,-2.6 1151,-0.3 -2,-0.3 1150,-0.2 0.797 127.3 -62.9 58.8 32.9 105.7 47.7 52.2 81 81 A S T 3 S+ 0 0 51 1149,-2.5 -1,-0.3 1,-0.3 2,-0.3 0.732 119.2 100.0 58.3 28.7 105.4 50.9 54.3 82 82 A Q E < S-K 79 0F 12 -3,-1.8 -3,-0.6 1148,-0.3 2,-0.4 -0.784 70.0-127.6-128.4 173.1 106.5 48.8 57.4 83 83 A T E -KL 78 116F 37 33,-2.1 33,-2.5 -2,-0.3 2,-0.3 -0.942 19.9-161.1-128.9 110.0 109.7 48.3 59.4 84 84 A L E -KL 77 115F 0 -7,-2.9 -7,-2.1 -2,-0.4 2,-0.4 -0.719 12.0-171.2 -91.0 138.4 110.8 44.7 59.9 85 85 A Q E -KL 76 114F 40 29,-2.2 29,-1.8 -2,-0.3 2,-0.4 -0.996 13.7-165.1-136.8 131.1 113.3 44.1 62.8 86 86 A T E - 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