==== 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 2VDK . COMPND 2 MOLECULE: INTEGRIN ALPHA-IIB; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.A.SPRINGER,J.ZHU,T.XIAO . 1340 6 18 16 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 861 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 390 29.1 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 . 10 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 . 117 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 7.8 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 5 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 0 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 10 8 12 18 12 2 0 2 1 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 1 0 0 0 0 0 0 1 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 0 103 0, 0.0 366,-0.1 0, 0.0 390,-0.0 0.000 360.0 360.0 360.0 -32.9 125.9 -3.3 79.3 2 2 A N + 0 0 35 364,-0.1 449,-2.3 403,-0.1 2,-0.5 -0.235 360.0 136.7-141.7 46.6 129.3 -2.3 78.0 3 3 A L B -A 450 0A 3 447,-0.2 447,-0.2 431,-0.0 431,-0.0 -0.833 58.1-121.9 -82.6 131.4 129.8 1.5 77.7 4 4 A D - 0 0 45 445,-3.1 445,-0.5 -2,-0.5 -2,-0.1 -0.673 29.4-176.9 -82.5 116.7 133.4 2.1 79.0 5 5 A P S S+ 0 0 70 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.652 77.4 54.8 -87.4 -15.8 133.3 4.6 81.9 6 6 A V S S+ 0 0 115 1,-0.2 2,-1.5 2,-0.0 -2,-0.0 0.897 100.6 56.6 -83.1 -45.1 137.1 4.9 82.4 7 7 A Q S S+ 0 0 117 442,-0.1 442,-0.4 2,-0.0 -1,-0.2 -0.521 78.5 161.9 -90.3 67.5 138.1 5.9 78.9 8 8 A L - 0 0 34 -2,-1.5 2,-0.4 -3,-0.3 440,-0.2 -0.396 31.9-143.2 -81.3 162.5 136.0 9.0 78.6 9 9 A T E -B 447 0B 1 438,-0.9 438,-2.2 -2,-0.1 2,-0.5 -0.995 13.3-157.4-125.7 124.9 136.4 11.9 76.1 10 10 A F E -B 446 0B 80 -2,-0.4 53,-1.8 51,-0.3 2,-0.4 -0.901 7.4-171.4-105.2 122.9 135.7 15.4 77.2 11 11 A Y E -Bc 445 63B 1 434,-2.4 434,-2.5 -2,-0.5 2,-0.4 -0.922 16.7-160.4-104.3 140.5 134.8 18.2 74.7 12 12 A A E -B 444 0B 28 51,-1.8 53,-0.5 -2,-0.4 432,-0.2 -0.945 13.7-169.6-128.9 143.2 134.7 21.7 76.3 13 13 A G - 0 0 12 430,-2.8 3,-0.1 -2,-0.4 5,-0.1 -0.516 44.1 -64.4-111.3-174.5 133.2 25.1 75.4 14 14 A P > - 0 0 61 0, 0.0 3,-1.5 0, 0.0 5,-0.5 -0.303 63.6 -83.7 -71.2 156.8 133.6 28.6 76.9 15 15 A N T 3 S+ 0 0 159 1,-0.2 427,-0.1 2,-0.1 428,-0.0 -0.306 112.4 9.4 -58.9 139.9 132.6 29.5 80.5 16 16 A G T 3 S+ 0 0 49 425,-0.2 -1,-0.2 424,-0.1 425,-0.0 0.579 97.3 110.7 67.5 12.4 128.9 30.4 80.9 17 17 A S S < S- 0 0 1 -3,-1.5 24,-2.4 423,-0.1 25,-0.7 0.604 78.1-131.7 -91.0 -15.8 128.1 29.3 77.4 18 18 A Q > - 0 0 21 422,-0.4 3,-1.8 -4,-0.3 4,-0.2 0.809 32.5-172.6 60.5 31.3 126.1 26.2 78.3 19 19 A F T 3 S+ 0 0 0 -5,-0.5 420,-0.3 20,-0.3 425,-0.3 -0.395 71.3 33.7 -50.3 117.6 128.1 24.2 75.8 20 20 A G T 3 S+ 0 0 0 18,-2.0 420,-0.4 2,-0.4 -1,-0.3 0.483 72.9 124.0 105.8 7.1 126.2 20.8 75.8 21 21 A F S < S+ 0 0 6 -3,-1.8 2,-0.3 17,-1.2 18,-0.1 0.879 90.4 6.9 -62.3 -38.2 122.7 22.1 76.3 22 22 A S E S+F 38 0C 12 16,-0.8 16,-2.8 72,-0.3 -2,-0.4 -0.963 76.8 168.3-139.1 155.4 121.8 20.3 73.1 23 23 A L E +F 37 0C 4 -2,-0.3 2,-0.3 74,-0.3 14,-0.2 -0.987 8.5 177.9-160.0 163.3 123.8 17.9 70.9 24 24 A D E -F 36 0C 13 12,-1.9 12,-2.8 -2,-0.3 2,-0.3 -0.971 35.5-102.0-160.6 158.3 123.6 15.4 68.0 25 25 A F E -F 35 0C 13 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.701 36.5-164.2 -78.5 138.1 125.8 13.2 65.9 26 26 A H E -F 34 0C 8 8,-2.7 8,-3.3 -2,-0.3 2,-0.5 -0.998 4.4-161.4-128.2 133.6 126.5 14.7 62.4 27 27 A K E -F 33 0C 115 74,-0.5 6,-0.2 -2,-0.4 5,-0.1 -0.943 11.0-143.8-116.4 127.3 127.9 12.7 59.5 28 28 A D > - 0 0 47 4,-1.9 3,-1.0 -2,-0.5 75,-0.1 -0.184 37.2 -90.9 -80.3 177.8 129.5 14.4 56.4 29 29 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 2,-0.1 73,-0.0 0.829 127.9 54.6 -60.7 -34.4 129.3 13.2 52.8 30 30 A H T 3 S- 0 0 165 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.727 120.4-110.2 -70.4 -23.7 132.4 11.1 53.2 31 31 A G < + 0 0 37 -3,-1.0 2,-0.4 1,-0.3 -2,-0.1 0.347 67.4 146.3 109.8 -2.5 130.7 9.3 56.2 32 32 A R - 0 0 184 -5,-0.1 -4,-1.9 1,-0.1 -1,-0.3 -0.542 43.0-135.0 -73.2 123.0 133.0 10.7 58.9 33 33 A V E +F 27 0C 14 -2,-0.4 25,-0.8 -6,-0.2 2,-0.2 -0.585 30.1 167.4 -83.5 136.3 131.0 11.3 62.2 34 34 A A E -FG 26 57C 15 -8,-3.3 -8,-2.7 -2,-0.3 2,-0.5 -0.771 32.6-111.2-130.7 178.7 131.4 14.4 64.2 35 35 A I E -FG 25 56C 1 21,-3.0 21,-3.1 -2,-0.2 2,-0.5 -0.976 16.2-150.8-123.3 123.0 129.4 15.9 67.1 36 36 A V E -FG 24 55C 0 -12,-2.8 -12,-1.9 -2,-0.5 2,-0.4 -0.792 18.3-168.3 -87.3 126.3 127.3 19.1 66.8 37 37 A V E -FG 23 54C 0 17,-2.9 17,-2.6 -2,-0.5 2,-0.4 -0.974 11.6-147.1-120.9 130.1 127.1 20.9 70.2 38 38 A G E -FG 22 53C 0 -16,-2.8 -18,-2.0 -2,-0.4 -17,-1.2 -0.785 12.6-177.0 -92.0 137.4 124.7 23.7 71.0 39 39 A A E > - G 0 52C 0 13,-2.8 3,-2.2 54,-0.4 13,-1.0 -0.670 2.8-177.2-133.9 76.6 125.9 26.5 73.4 40 40 A P T 3 S+ 0 0 5 0, 0.0 52,-0.4 0, 0.0 53,-0.3 0.547 78.0 46.8 -65.2 -11.3 122.9 28.8 73.9 41 41 A R T 3 S+ 0 0 91 -24,-2.4 -23,-0.2 51,-0.1 53,-0.1 0.264 76.5 137.0-112.0 12.7 124.6 31.4 76.1 42 42 A T < - 0 0 19 -3,-2.2 9,-2.8 -25,-0.7 8,-2.2 -0.324 60.1-113.7 -54.9 132.9 127.8 31.8 74.1 43 43 A L B -I 49 0D 94 6,-0.2 6,-0.2 7,-0.2 -1,-0.1 -0.509 29.6-134.5 -67.6 136.4 128.8 35.5 73.9 44 44 A G > - 0 0 15 4,-2.7 3,-1.3 -2,-0.2 -1,-0.1 -0.054 39.1 -80.8 -75.9-171.5 128.7 36.9 70.3 45 45 A P T 3 S+ 0 0 120 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.663 129.7 53.1 -72.0 -15.1 131.4 39.0 68.7 46 46 A S T 3 S- 0 0 101 2,-0.2 3,-0.1 0, 0.0 -2,-0.0 -0.009 120.1-103.1-106.9 26.7 130.1 42.2 70.5 47 47 A Q S < S+ 0 0 173 -3,-1.3 2,-0.4 1,-0.2 -4,-0.1 0.684 85.2 121.7 59.9 24.0 130.2 40.6 74.1 48 48 A E S S- 0 0 89 -6,-0.0 -4,-2.7 0, 0.0 -2,-0.2 -0.945 72.8-103.0-114.9 137.0 126.4 40.2 74.1 49 49 A E B +I 43 0D 70 -2,-0.4 41,-3.8 -6,-0.2 42,-0.3 -0.404 58.1 142.8 -61.6 120.5 124.9 36.7 74.7 50 50 A T - 0 0 11 -8,-2.2 43,-2.3 -2,-0.2 -7,-0.2 0.500 52.4-124.9-125.3 -21.3 123.6 35.2 71.4 51 51 A G B -j 93 0E 2 -9,-2.8 2,-0.3 41,-0.2 43,-0.2 -0.176 26.4-148.3 86.2 168.6 124.4 31.5 71.7 52 52 A G E -G 39 0C 7 41,-1.1 -13,-2.8 -13,-1.0 2,-0.4 -0.984 9.0-123.2-166.4 166.6 126.4 29.5 69.2 53 53 A V E -GH 38 68C 1 15,-0.6 15,-2.0 -2,-0.3 2,-0.4 -0.948 18.2-161.7-121.5 141.8 127.0 26.1 67.6 54 54 A F E -GH 37 67C 22 -17,-2.6 -17,-2.9 -2,-0.4 2,-0.7 -0.960 9.8-150.2-123.6 140.4 130.2 24.1 67.6 55 55 A L E -G 36 0C 33 11,-2.3 -19,-0.2 -2,-0.4 -2,-0.0 -0.883 19.1-162.7-113.5 99.8 131.1 21.2 65.2 56 56 A a E -G 35 0C 0 -21,-3.1 -21,-3.0 -2,-0.7 2,-0.3 -0.671 8.6-143.1 -87.7 126.1 133.5 18.8 67.0 57 57 A P E -G 34 0C 54 0, 0.0 2,-0.3 0, 0.0 -23,-0.2 -0.645 37.6 -91.2 -83.9 148.4 135.5 16.3 65.0 58 58 A W + 0 0 62 -25,-0.8 2,-0.3 -2,-0.3 3,-0.1 -0.402 58.8 154.6 -66.3 121.7 136.0 12.8 66.6 59 59 A R - 0 0 78 -2,-0.3 3,-0.2 1,-0.1 4,-0.1 -0.989 44.8-139.2-142.3 142.1 139.1 12.6 68.8 60 60 A A S S+ 0 0 47 -2,-0.3 -50,-0.2 1,-0.2 -1,-0.1 0.896 109.8 47.0 -63.0 -40.2 139.9 10.3 71.7 61 61 A E S S- 0 0 147 1,-0.2 -51,-0.3 -52,-0.1 -1,-0.2 0.667 92.1-171.9 -75.4 -19.7 141.6 13.2 73.5 62 62 A G + 0 0 6 -3,-0.2 2,-0.3 -53,-0.1 -51,-0.2 -0.294 19.2 144.3 62.8-144.2 138.7 15.6 72.8 63 63 A G B +c 11 0B 29 -53,-1.8 -51,-1.8 -4,-0.1 2,-0.1 -0.879 50.3 3.3 116.9-145.2 139.3 19.2 73.7 64 64 A Q - 0 0 138 -2,-0.3 -51,-0.1 -53,-0.2 -2,-0.0 -0.373 61.7-147.4 -80.0 158.6 138.2 22.5 72.0 65 65 A a - 0 0 21 -53,-0.5 2,-0.2 -9,-0.1 -9,-0.2 -0.897 16.8-108.0-127.2 154.1 135.9 22.7 68.9 66 66 A P - 0 0 76 0, 0.0 -11,-2.3 0, 0.0 2,-0.4 -0.571 37.6-114.7 -77.3 144.9 135.5 25.0 65.9 67 67 A S E -H 54 0C 59 -13,-0.2 2,-1.0 -2,-0.2 -13,-0.3 -0.682 13.6-135.9 -82.8 127.1 132.5 27.3 65.8 68 68 A L E -H 53 0C 16 -15,-2.0 -15,-0.6 -2,-0.4 2,-0.0 -0.766 39.1-130.8 -76.1 103.4 130.0 26.6 63.0 69 69 A L + 0 0 129 -2,-1.0 2,-0.3 -17,-0.1 -17,-0.0 -0.298 32.8 175.5 -71.8 141.9 129.5 30.3 62.1 70 70 A F - 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