==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECEPTOR/IMMUNE SYSTEM 02-JUL-07 2JIX . COMPND 2 MOLECULE: ABT-007 FAB FRAGMENT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Z.LIU,V.S.STOLL,P.DEVRIES,C.G.JAKOB,N.XIE,R.L.SIMMER,S.E.LAC . 1937 9 17 17 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 84288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1132 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 647 33.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 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 . 1 0.1 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 . 182 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 0.6 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 1 1 0 0 3 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 . 6 3 1 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 0 PARALLEL BRIDGES PER LADDER . 29 20 17 18 19 21 7 2 2 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 . 6 6 13 4 4 5 0 0 0 0 0 1 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 D 0 0 94 0, 0.0 2,-0.3 0, 0.0 93,-0.1 0.000 360.0 360.0 360.0 138.1 42.3 80.7 17.2 2 2 A I - 0 0 12 93,-0.5 2,-0.5 91,-0.4 88,-0.1 -0.771 360.0-127.3-102.9 144.4 43.0 77.5 15.2 3 3 A Q - 0 0 114 -2,-0.3 23,-1.9 2,-0.0 2,-0.7 -0.794 16.2-167.9-103.5 123.6 46.6 76.5 14.1 4 4 A L E -Ab 25 99A 10 94,-0.7 96,-0.9 -2,-0.5 2,-0.9 -0.872 7.2-170.2-109.7 99.4 47.4 75.7 10.5 5 5 A T E -A 24 0A 89 19,-2.8 19,-1.7 -2,-0.7 94,-0.1 -0.767 9.4-166.6-100.2 100.9 50.9 74.1 10.3 6 6 A Q E -A 23 0A 2 -2,-0.9 17,-0.2 17,-0.2 3,-0.1 -0.282 11.8-118.4 -81.7 166.3 52.0 73.7 6.6 7 7 A S E S+A 22 0A 57 15,-1.3 15,-2.1 1,-0.3 2,-0.2 -0.928 77.8 29.5-173.5 152.8 54.9 71.7 5.2 8 8 A P S S- 0 0 58 0, 0.0 -1,-0.3 0, 0.0 14,-0.1 0.657 75.8-136.1 -63.6 158.0 57.5 71.5 3.8 9 9 A S S S- 0 0 86 -2,-0.2 94,-1.1 93,-0.1 2,-0.2 0.880 81.8 -12.7 -52.6 -48.2 58.4 75.0 5.1 10 10 A S E S-e 103 0B 64 92,-0.3 2,-0.3 75,-0.0 94,-0.2 -0.816 73.2-151.9-138.4-173.4 59.7 75.9 1.6 11 11 A L E -e 104 0B 57 92,-1.1 94,-1.8 -2,-0.2 2,-0.2 -0.957 13.8-148.2-157.3 168.6 60.5 74.1 -1.6 12 12 A S E +e 105 0B 76 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.746 28.6 164.8-150.8 96.2 62.6 73.9 -4.8 13 13 A A E -e 106 0B 16 92,-2.1 94,-2.2 -2,-0.2 3,-0.1 -0.841 31.1-119.4-120.7 153.2 61.1 72.3 -8.0 14 14 A S E -e 107 0B 46 -2,-0.3 64,-0.3 92,-0.2 94,-0.1 -0.305 46.5 -83.4 -74.9 163.6 62.0 72.3 -11.7 15 15 A V S S+ 0 0 81 92,-0.7 2,-1.0 1,-0.2 64,-0.2 -0.450 113.0 21.0 -59.0 142.5 59.7 73.5 -14.4 16 16 A G S S+ 0 0 30 62,-1.9 62,-0.5 1,-0.2 -1,-0.2 -0.615 92.2 105.7 104.6 -74.1 57.2 70.8 -15.3 17 17 A D S S- 0 0 82 -2,-1.0 61,-1.1 60,-0.2 2,-1.0 0.307 75.4 -91.1 -53.9 171.3 57.1 68.3 -12.3 18 18 A R - 0 0 144 59,-0.1 58,-0.2 56,-0.0 -1,-0.1 -0.682 37.0-168.4 -99.4 91.7 54.3 67.9 -9.7 19 19 A V E - C 0 75A 11 -2,-1.0 56,-1.4 56,-1.0 2,-0.4 -0.447 6.3-170.0 -70.3 142.0 54.6 70.0 -6.5 20 20 A T E - C 0 74A 62 54,-0.2 2,-0.4 -2,-0.1 54,-0.3 -0.999 5.7-165.4-138.5 135.6 52.4 69.2 -3.5 21 21 A I E - C 0 73A 0 52,-3.9 52,-2.5 -2,-0.4 2,-0.2 -0.966 5.5-155.8-122.9 138.6 51.8 71.1 -0.3 22 22 A T E -AC 7 72A 53 -15,-2.1 -15,-1.3 -2,-0.4 2,-0.2 -0.649 4.2-166.6-106.4 165.7 50.1 69.9 2.9 23 23 A a E -AC 6 71A 1 48,-1.2 48,-1.0 -17,-0.2 2,-0.4 -0.809 6.5-161.4-158.2 105.0 48.4 71.9 5.7 24 24 A R E -AC 5 70A 117 -19,-1.7 -19,-2.8 -2,-0.2 2,-0.4 -0.786 7.7-148.8 -96.5 137.1 47.5 70.3 9.1 25 25 A A E -A 4 0A 10 44,-2.3 -21,-0.2 -2,-0.4 3,-0.1 -0.846 20.3-132.3-111.5 139.1 44.9 71.9 11.5 26 26 A S S S+ 0 0 69 -23,-1.9 2,-0.2 -2,-0.4 -22,-0.1 0.439 102.3 18.4 -61.8 -0.3 44.8 71.8 15.3 27 27 A Q S S- 0 0 65 -24,-0.2 -1,-0.2 41,-0.1 1287,-0.1 -0.769 100.1 -94.8-176.0 118.0 41.2 70.7 15.0 28 28 A G + 0 0 25 -2,-0.2 41,-0.3 1,-0.1 40,-0.1 -0.117 37.7 175.1 -44.3 124.7 39.4 69.3 11.9 29 29 A I > - 0 0 0 39,-3.3 3,-0.7 63,-0.0 40,-0.2 0.648 23.4-157.7-107.8 -23.7 37.6 72.1 9.9 30 30 A R T 3 - 0 0 101 38,-1.1 2,-0.4 1,-0.2 37,-0.1 0.893 67.8 -6.0 47.5 106.8 36.4 69.9 7.0 31 31 A N T 3 S+ 0 0 33 35,-0.2 2,-1.4 1,-0.1 -1,-0.2 -0.100 104.5 106.4 75.2 -31.4 35.6 71.7 3.7 32 32 A D < + 0 0 3 -3,-0.7 59,-1.8 -2,-0.4 2,-0.3 0.010 55.0 106.7 -78.1 35.1 36.2 75.1 5.3 33 33 A L E -F 90 0B 1 -2,-1.4 18,-3.7 57,-0.2 2,-0.4 -0.800 45.4-162.7-120.5 153.2 39.6 76.0 3.7 34 34 A G E -F 89 0B 2 55,-1.9 55,-2.6 -2,-0.3 2,-0.3 -0.996 11.9-146.5-125.8 136.3 41.1 78.3 1.1 35 35 A W E -FG 88 48B 0 13,-0.9 13,-0.8 -2,-0.4 12,-0.4 -0.777 23.3-167.6 -92.4 149.5 44.5 78.1 -0.6 36 36 A Y E -F 87 0B 3 51,-1.8 51,-2.1 -2,-0.3 2,-0.5 -0.972 15.5-142.7-139.3 151.9 46.2 81.4 -1.5 37 37 A Q E -FG 86 45B 11 8,-3.3 8,-2.8 -2,-0.3 2,-0.6 -0.963 7.9-165.0-119.8 127.5 49.1 82.7 -3.6 38 38 A Q E -F 85 0B 27 47,-2.8 47,-2.4 -2,-0.5 5,-0.1 -0.892 6.8-164.8-112.4 103.5 51.4 85.6 -2.7 39 39 A K > - 0 0 40 -2,-0.6 3,-0.9 45,-0.2 45,-0.1 -0.566 33.9-106.1 -78.4 148.4 53.6 87.0 -5.5 40 40 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 44,-0.0 0.870 113.1 19.8 -41.5 -70.4 56.5 89.3 -4.5 41 41 A G T 3 S+ 0 0 63 2,-0.1 2,-0.3 -3,-0.0 -2,-0.0 0.478 115.2 90.6 -80.2 -1.5 55.3 92.7 -5.5 42 42 A K S < S- 0 0 127 -3,-0.9 3,-0.1 1,-0.0 1148,-0.1 -0.678 78.8-113.6-110.5 146.4 51.6 91.7 -5.6 43 43 A A - 0 0 17 -2,-0.3 -4,-0.2 1144,-0.1 1144,-0.1 -0.565 59.1 -89.4 -64.8 136.5 48.6 91.5 -3.3 44 44 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 1143,-0.2 -0.133 39.6-147.1 -60.3 144.9 47.7 87.8 -2.7 45 45 A K E -G 37 0B 100 -8,-2.8 -8,-3.3 1141,-0.1 2,-0.9 -0.844 14.4-118.9-121.5 148.5 45.3 85.9 -5.0 46 46 A R E + 0 0 9 1139,-0.5 -10,-0.2 -2,-0.3 12,-0.2 -0.749 31.6 168.1-100.9 101.1 42.8 83.0 -4.2 47 47 A L E + 0 0 5 -2,-0.9 8,-2.9 -12,-0.4 2,-0.4 0.983 68.5 25.1 -66.3 -63.6 43.5 79.7 -6.0 48 48 A I E -GH 35 54B 0 -13,-0.8 -13,-0.9 6,-0.2 2,-0.3 -0.839 61.4-177.0-114.2 141.0 41.2 77.4 -4.1 49 49 A Y E > S+ H 0 53B 28 4,-2.8 4,-1.8 -2,-0.4 3,-0.3 -0.918 70.3 22.5-126.6 160.7 38.0 78.0 -2.1 50 50 A A T 4 S- 0 0 0 -2,-0.3 2,-2.8 1,-0.3 3,-0.3 0.899 123.3 -75.8 47.1 48.7 35.9 75.6 -0.1 51 51 A A T 4 S+ 0 0 2 -18,-3.7 -1,-0.3 1,-0.2 21,-0.1 -0.148 127.1 19.5 63.8 -43.5 38.9 73.2 0.2 52 52 A S T 4 S+ 0 0 54 -2,-2.8 2,-0.6 -3,-0.3 12,-0.4 0.492 88.5 108.4-135.8 -8.9 38.6 72.0 -3.5 53 53 A S E < -H 49 0B 7 -4,-1.8 -4,-2.8 -3,-0.3 2,-0.2 -0.682 65.1-130.6 -82.1 120.2 36.6 74.3 -5.6 54 54 A L E -H 48 0B 6 230,-2.9 -6,-0.2 -2,-0.6 -7,-0.1 -0.491 20.7-122.8 -66.1 133.5 38.9 76.2 -8.1 55 55 A Q - 0 0 19 -8,-2.9 3,-0.3 -2,-0.2 2,-0.2 -0.376 35.3 -93.7 -68.0 156.5 38.4 79.9 -8.2 56 56 A S S S+ 0 0 112 1,-0.2 2,-0.2 195,-0.1 -1,-0.1 -0.516 108.5 21.1 -67.6 138.3 37.5 81.5 -11.6 57 57 A G S S+ 0 0 55 195,-0.6 -1,-0.2 1,-0.3 194,-0.1 -0.167 91.2 114.1 99.9 -40.7 40.5 82.7 -13.4 58 58 A V S S- 0 0 15 -3,-0.3 -1,-0.3 -2,-0.2 194,-0.2 -0.427 77.1 -97.7 -66.0 138.0 43.2 80.7 -11.7 59 59 A P > - 0 0 40 0, 0.0 3,-1.0 0, 0.0 -4,-0.1 -0.114 23.7-123.7 -43.6 148.6 44.9 78.0 -14.0 60 60 A S T 3 S+ 0 0 9 1,-0.2 16,-0.1 -3,-0.1 226,-0.1 0.471 102.4 82.2 -82.3 -1.9 43.7 74.5 -13.8 61 61 A R T 3 S+ 0 0 48 14,-0.1 15,-3.1 16,-0.1 2,-0.5 0.554 83.4 75.7 -72.9 -10.1 47.2 73.3 -12.9 62 62 A F E < +D 75 0A 2 -3,-1.0 2,-0.3 13,-0.2 13,-0.2 -0.900 60.8 151.1-101.4 133.1 46.2 74.3 -9.4 63 63 A S E -D 74 0A 27 11,-1.3 11,-2.5 -2,-0.5 2,-0.3 -0.967 24.1-153.2-150.6 162.9 43.9 72.1 -7.4 64 64 A G E +D 73 0A 6 -12,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.998 13.7 168.9-139.4 145.9 43.3 71.2 -3.8 65 65 A S E +D 72 0A 67 7,-2.8 7,-3.2 -2,-0.3 2,-0.2 -0.881 24.0 93.5-141.5-178.8 41.9 68.3 -1.9 66 66 A G E -D 71 0A 37 -2,-0.3 2,-0.3 5,-0.2 -35,-0.2 -0.416 41.7-139.8 116.7 162.9 41.6 67.0 1.7 67 67 A S E > -D 70 0A 59 3,-0.8 2,-1.8 -2,-0.2 3,-0.8 -0.986 59.9 -4.0-159.6 149.8 39.0 67.1 4.4 68 68 A G T 3 S+ 0 0 16 -2,-0.3 -39,-3.3 1,-0.2 -38,-1.1 -0.497 127.7 0.7 73.0 -87.7 38.7 67.6 8.2 69 69 A T T 3 S+ 0 0 52 -2,-1.8 -44,-2.3 -41,-0.3 2,-0.3 0.832 120.5 47.1-115.1 -40.9 42.2 67.7 9.4 70 70 A E E < -CD 24 67A 74 -3,-0.8 -3,-0.8 -46,-0.2 2,-0.3 -0.845 62.5-168.2-105.5 146.8 44.9 67.4 6.7 71 71 A F E -CD 23 66A 0 -48,-1.0 -48,-1.2 -2,-0.3 2,-0.4 -0.988 6.8-157.6-135.2 145.7 44.8 69.4 3.4 72 72 A T E -CD 22 65A 41 -7,-3.2 -7,-2.8 -2,-0.3 2,-0.4 -0.981 7.8-174.0-125.6 126.8 46.7 69.3 0.1 73 73 A L E -CD 21 64A 0 -52,-2.5 -52,-3.9 -2,-0.4 2,-0.4 -0.971 18.0-171.4-105.5 135.3 47.3 71.9 -2.6 74 74 A T E -CD 20 63A 15 -11,-2.5 -11,-1.3 -2,-0.4 2,-0.8 -0.989 20.5-153.9-137.5 120.6 49.0 70.5 -5.6 75 75 A I E -CD 19 62A 3 -56,-1.4 -56,-1.0 -2,-0.4 -13,-0.2 -0.863 13.4-159.5 -91.5 105.4 50.4 72.3 -8.6 76 76 A S S S+ 0 0 16 -15,-3.1 2,-0.4 -2,-0.8 -1,-0.2 0.856 77.0 16.4 -64.7 -38.3 50.2 69.7 -11.4 77 77 A S S S- 0 0 32 -16,-0.3 -60,-0.2 -59,-0.1 -1,-0.2 -0.932 82.9-130.2-139.1 118.0 52.9 71.4 -13.7 78 78 A L - 0 0 3 -61,-1.1 -62,-1.9 -62,-0.5 3,-0.1 -0.320 21.5-167.6 -73.3 141.7 55.3 74.1 -12.5 79 79 A Q - 0 0 55 -64,-0.2 3,-0.4 1,-0.1 4,-0.1 -0.825 33.8-118.8-116.8 158.4 55.7 77.3 -14.3 80 80 A P S > S+ 0 0 26 0, 0.0 3,-1.4 0, 0.0 89,-0.1 0.934 119.8 52.6 -60.5 -40.2 58.4 80.0 -13.9 81 81 A E T 3 S+ 0 0 74 1,-0.3 88,-0.1 88,-0.1 87,-0.1 0.694 87.9 83.2 -67.4 -15.1 55.6 82.4 -13.0 82 82 A D T 3 + 0 0 3 -3,-0.4 -1,-0.3 86,-0.1 2,-0.2 0.458 62.7 121.7 -70.5 -0.1 54.4 79.9 -10.4 83 83 A F < + 0 0 8 -3,-1.4 2,-0.3 85,-0.1 22,-0.1 -0.468 41.5 94.2 -58.6 132.7 57.1 81.4 -8.1 84 84 A A E S- I 0 104B 1 20,-1.0 20,-1.8 -2,-0.2 2,-0.5 -0.915 75.0 -81.9 160.3 173.7 55.4 82.7 -5.0 85 85 A T E -FI 38 103B 19 -47,-2.4 -47,-2.8 -2,-0.3 2,-0.3 -0.950 39.8-153.0-113.2 125.3 54.5 81.9 -1.4 86 86 A Y E -F 37 0B 0 16,-2.6 2,-0.4 -2,-0.5 16,-0.3 -0.723 10.4-169.9-101.8 141.4 51.3 79.9 -0.8 87 87 A Y E -F 36 0B 18 -51,-2.1 -51,-1.8 -2,-0.3 2,-0.4 -0.997 15.7-142.9-134.1 138.2 49.1 79.9 2.3 88 88 A a E -F 35 0B 0 -2,-0.4 2,-0.3 -53,-0.2 11,-0.2 -0.810 21.4-165.9 -93.7 138.7 46.2 77.9 3.6 89 89 A L E -F 34 0B 0 -55,-2.6 -55,-1.9 -2,-0.4 2,-0.4 -0.866 5.5-154.1-125.0 157.0 43.4 79.7 5.5 90 90 A Q E +FJ 33 97B 0 7,-1.2 7,-1.2 -2,-0.3 -57,-0.2 -0.982 20.7 169.6-135.9 137.1 40.6 78.4 7.7 91 91 A H + 0 0 3 -59,-1.8 3,-0.3 -2,-0.4 442,-0.2 0.103 54.9 100.7-137.8 20.1 37.2 79.9 8.4 92 92 A N S S+ 0 0 29 -60,-0.3 2,-0.6 1,-0.3 441,-0.2 0.981 94.4 23.1 -62.3 -61.2 35.6 77.0 10.2 93 93 A T S S- 0 0 66 2,-0.2 -91,-0.4 439,-0.1 -1,-0.3 -0.924 109.5 -87.9-116.1 105.6 36.1 78.4 13.7 94 94 A Y S S+ 0 0 35 -2,-0.6 -3,-0.1 436,-0.3 3,-0.0 -0.159 100.4 58.9 -55.0 143.2 36.5 82.2 13.9 95 95 A P S S- 0 0 4 0, 0.0 -93,-0.5 0, 0.0 -2,-0.2 0.467 86.6-124.8 -82.2 153.7 38.8 83.9 13.7 96 96 A P - 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