==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 09-MAY-12 4F3F . COMPND 2 MOLECULE: MORAB-009 FAB LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.XIA,I.PASTAN,J.MA,W.K.TANG,L.ESSER . 490 3 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 174 35.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 52 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 0 PARALLEL BRIDGES PER LADDER . 4 4 6 3 3 8 2 0 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 . 0 0 4 1 1 2 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 2 A D 0 0 104 0, 0.0 2,-0.4 0, 0.0 94,-0.1 0.000 360.0 360.0 360.0 147.5 78.7 26.1 -12.2 2 3 A I - 0 0 3 92,-0.4 2,-0.5 90,-0.2 87,-0.1 -0.571 360.0-148.2 -77.2 126.8 79.7 25.0 -8.8 3 4 A E - 0 0 133 -2,-0.4 23,-1.8 93,-0.1 2,-0.6 -0.861 6.9-155.6-100.0 125.0 79.3 21.4 -8.4 4 5 A L E -A 25 0A 15 -2,-0.5 2,-0.7 93,-0.4 95,-0.5 -0.866 4.9-166.6-108.2 117.8 78.4 20.1 -4.8 5 6 A T E -A 24 0A 74 19,-2.9 19,-2.5 -2,-0.6 2,-0.3 -0.841 8.5-164.2-105.4 107.9 79.2 16.6 -3.9 6 7 A Q E -A 23 0A 15 -2,-0.7 17,-0.2 17,-0.2 93,-0.1 -0.683 16.0-127.6 -92.9 138.7 77.5 15.4 -0.7 7 8 A S E S+A 22 0A 52 15,-2.2 15,-3.2 -2,-0.3 2,-0.2 -0.997 74.8 21.8-150.3 154.8 78.6 12.3 1.2 8 9 A P - 0 0 52 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.712 67.8-153.0 -68.8 170.1 77.8 9.9 2.4 9 10 A A S S+ 0 0 68 1,-0.3 93,-3.3 -2,-0.2 2,-0.5 0.866 88.3 23.8 -74.5 -40.9 74.7 9.6 0.2 10 11 A I E S-d 102 0B 117 91,-0.2 2,-0.5 93,-0.1 -1,-0.3 -0.981 73.8-173.9-128.2 121.4 73.0 7.6 2.9 11 12 A M E -d 103 0B 18 91,-2.9 93,-2.5 -2,-0.5 2,-0.5 -0.945 6.3-162.3-111.5 126.5 74.1 7.8 6.4 12 13 A S E -d 104 0B 54 -2,-0.5 2,-0.4 91,-0.2 93,-0.2 -0.954 15.4-173.5-113.1 135.0 72.6 5.5 9.0 13 14 A A E -d 105 0B 0 91,-2.1 93,-2.7 -2,-0.5 3,-0.1 -0.975 24.3-134.6-134.3 130.5 73.0 6.6 12.6 14 15 A S > - 0 0 38 -2,-0.4 3,-2.1 91,-0.2 63,-0.3 -0.655 45.2 -99.1 -78.2 135.5 72.4 5.1 16.0 15 16 A P T 3 S+ 0 0 72 0, 0.0 63,-0.2 0, 0.0 3,-0.1 -0.201 110.2 31.9 -55.5 145.6 70.7 7.7 18.3 16 17 A G T 3 S+ 0 0 49 61,-2.4 62,-0.1 1,-0.3 -2,-0.0 0.048 94.4 121.4 88.4 -24.3 73.2 9.3 20.7 17 18 A E < - 0 0 91 -3,-2.1 60,-2.5 59,-0.2 2,-0.5 -0.217 62.6-128.2 -70.9 160.8 76.0 9.1 18.1 18 19 A K + 0 0 154 58,-0.2 2,-0.4 -3,-0.1 57,-0.2 -0.962 35.9 176.0-105.9 127.7 77.9 12.0 16.8 19 20 A V E - B 0 74A 23 55,-2.4 55,-2.9 -2,-0.5 2,-0.4 -0.993 18.9-159.4-140.3 145.4 78.0 12.2 13.0 20 21 A T E - B 0 73A 63 -2,-0.4 2,-0.3 53,-0.2 53,-0.2 -0.976 3.5-163.3-125.6 134.8 79.2 14.4 10.3 21 22 A M E - B 0 72A 0 51,-2.9 51,-2.4 -2,-0.4 2,-0.3 -0.869 17.1-139.5-114.6 149.8 78.2 14.7 6.7 22 23 A T E -AB 7 71A 42 -15,-3.2 -15,-2.2 -2,-0.3 2,-0.4 -0.775 15.5-165.4-117.2 152.2 80.2 16.5 4.0 23 24 A a E -AB 6 70A 0 47,-2.8 47,-2.8 -2,-0.3 2,-0.5 -0.940 13.8-163.2-131.6 107.1 79.7 18.7 1.1 24 25 A S E -AB 5 69A 48 -19,-2.5 -19,-2.9 -2,-0.4 2,-0.4 -0.831 8.3-151.8 -87.1 128.1 82.7 19.1 -1.3 25 26 A A E -A 4 0A 7 43,-3.0 -21,-0.2 -2,-0.5 4,-0.1 -0.801 16.9-132.6 -99.7 141.1 82.5 22.0 -3.7 26 27 A S S S+ 0 0 73 -23,-1.8 2,-0.3 -2,-0.4 -1,-0.1 0.718 89.5 3.7 -65.5 -23.5 84.2 21.8 -7.1 27 28 A S S S- 0 0 41 -24,-0.2 -2,-0.0 40,-0.1 -25,-0.0 -0.927 107.0 -43.6-150.4-173.4 85.7 25.2 -6.4 28 29 A S - 0 0 75 -2,-0.3 2,-0.4 1,-0.1 40,-0.2 -0.191 48.4-168.7 -66.9 135.7 85.8 27.9 -3.8 29 30 A V - 0 0 5 38,-2.1 38,-0.4 1,-0.1 3,-0.1 -0.930 18.0-159.7-124.2 135.9 82.7 28.9 -1.8 30 31 A S S S+ 0 0 33 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.898 79.5 4.2 -83.8 -38.6 82.3 31.9 0.4 31 32 A Y - 0 0 42 59,-0.1 59,-2.3 19,-0.1 2,-0.3 -0.990 61.9-158.7-146.7 143.2 79.2 30.6 2.5 32 33 A M E -E 89 0B 0 -2,-0.3 18,-3.4 57,-0.2 2,-0.3 -0.931 7.0-163.4-120.4 144.2 77.3 27.4 2.5 33 34 A H E -E 88 0B 0 55,-2.4 55,-1.7 -2,-0.3 2,-0.4 -0.904 6.0-150.3-124.4 157.8 73.8 26.9 3.7 34 35 A W E -EF 87 47B 0 13,-3.0 12,-3.0 -2,-0.3 13,-0.9 -0.962 6.3-164.7-132.5 148.1 72.0 23.7 4.6 35 36 A Y E -EF 86 45B 0 51,-2.1 51,-2.2 -2,-0.4 2,-0.5 -0.965 11.6-145.4-130.8 142.7 68.3 22.6 4.5 36 37 A Q E -EF 85 44B 7 8,-2.6 8,-2.1 -2,-0.3 2,-0.4 -0.930 20.0-177.4-104.0 131.1 66.5 19.7 6.1 37 38 A Q E -E 84 0B 19 47,-2.4 47,-2.7 -2,-0.5 2,-0.5 -0.997 9.7-159.4-129.6 132.4 63.7 18.3 4.1 38 39 A K > - 0 0 37 -2,-0.4 3,-1.0 4,-0.3 45,-0.1 -0.928 47.4 -75.4-111.7 132.3 61.4 15.5 5.2 39 40 A S T 3 S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.187 118.9 7.8 -22.4 120.4 59.5 13.4 2.8 40 41 A G T 3 S+ 0 0 87 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.690 108.3 96.3 78.6 22.1 56.6 15.5 1.6 41 42 A T S < S- 0 0 59 -3,-1.0 -1,-0.2 3,-0.0 3,-0.1 -0.934 79.5 -95.1-134.3 157.3 57.4 18.9 3.2 42 43 A S - 0 0 25 -2,-0.3 -4,-0.3 279,-0.1 281,-0.1 -0.462 53.5 -96.6 -58.2 146.4 59.1 22.0 2.0 43 44 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.223 37.6-141.9 -57.8 155.9 62.8 22.2 2.9 44 45 A K E -F 36 0B 87 -8,-2.1 -8,-2.6 -3,-0.1 2,-0.3 -0.998 18.9-112.6-131.3 128.8 63.7 24.1 6.0 45 46 A R E +F 35 0B 35 -2,-0.4 -10,-0.3 273,-0.3 3,-0.1 -0.444 43.6 167.1 -58.6 121.9 66.7 26.3 6.4 46 47 A W E + 0 0 25 -12,-3.0 8,-2.3 1,-0.4 2,-0.4 0.854 61.7 9.5-107.3 -58.5 68.9 24.5 9.0 47 48 A I E S-FG 34 53B 1 -13,-0.9 -13,-3.0 6,-0.2 -1,-0.4 -0.972 71.1-171.8-119.8 140.2 72.4 26.0 9.1 48 49 A Y E >> + G 0 52B 43 4,-2.3 4,-2.3 -2,-0.4 3,-0.7 -0.878 62.0 24.2-131.5 170.1 73.2 29.2 7.3 49 50 A D T 34 S- 0 0 5 -2,-0.3 2,-1.9 1,-0.3 -1,-0.2 0.911 123.2 -74.2 41.6 46.7 76.4 31.2 6.6 50 51 A T T 34 S+ 0 0 15 -18,-3.4 -1,-0.3 -3,-0.2 21,-0.2 -0.042 127.0 25.3 72.3 -39.7 78.3 27.9 7.0 51 52 A S T <4 S+ 0 0 66 -2,-1.9 12,-0.4 -3,-0.7 2,-0.4 0.320 89.3 105.0-145.5 12.0 78.1 27.7 10.8 52 53 A K E < -G 48 0B 88 -4,-2.3 -4,-2.3 10,-0.1 2,-0.4 -0.807 64.8-119.0-108.1 139.2 75.1 29.5 12.3 53 54 A L E -G 47 0B 77 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.627 26.3-134.7 -74.9 126.4 71.9 27.9 13.7 54 55 A A > - 0 0 3 -8,-2.3 3,-2.0 -2,-0.4 -1,-0.0 -0.421 46.9 -68.3 -69.3 154.9 68.8 29.0 11.9 55 56 A S T 3 S+ 0 0 98 1,-0.3 -1,-0.2 -2,-0.1 -10,-0.0 -0.106 118.9 8.9 -44.1 132.6 65.9 29.9 14.1 56 57 A G T 3 S+ 0 0 83 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.405 89.3 136.0 75.6 0.9 64.4 27.0 16.0 57 58 A V < - 0 0 10 -3,-2.0 -1,-0.2 -11,-0.1 -4,-0.0 -0.644 62.2-106.5 -87.4 132.8 67.1 24.5 15.1 58 59 A P > - 0 0 37 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.230 26.1-118.2 -60.9 145.8 68.2 22.3 18.0 59 60 A G T 3 S+ 0 0 69 1,-0.3 16,-0.1 -6,-0.1 -2,-0.1 0.555 104.3 77.9 -58.2 -11.1 71.7 23.2 19.4 60 61 A R T 3 S+ 0 0 39 16,-0.1 15,-2.9 14,-0.1 2,-0.4 0.627 78.8 84.7 -81.2 -8.4 73.0 19.8 18.5 61 62 A F E < +C 74 0A 3 -3,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.736 56.9 164.3 -88.1 134.6 73.3 20.8 14.9 62 63 A S E -C 73 0A 57 11,-2.2 11,-2.7 -2,-0.4 2,-0.4 -0.960 19.5-152.5-141.4 167.8 76.5 22.6 13.8 63 64 A G E +C 72 0A 8 -12,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.992 19.0 153.6-138.1 149.0 78.3 23.5 10.6 64 65 A S E +C 71 0A 61 7,-2.2 7,-3.0 -2,-0.4 2,-0.2 -0.936 8.0 126.2-151.8-179.8 81.8 24.3 9.6 65 66 A G E -C 70 0A 31 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.427 33.4-128.3 144.4 154.0 84.2 24.2 6.6 66 67 A S E > -C 69 0A 106 3,-0.9 2,-1.9 -2,-0.2 3,-1.6 -0.990 63.9 -34.9-130.2 137.9 86.6 26.2 4.6 67 68 A G T 3 S+ 0 0 22 -38,-0.4 -38,-2.1 -2,-0.4 -40,-0.1 -0.393 131.4 0.8 72.0 -85.0 87.1 26.9 0.9 68 69 A N T 3 S+ 0 0 77 -2,-1.9 -43,-3.0 -40,-0.2 2,-0.7 0.706 119.2 66.8-111.8 -21.7 86.1 23.6 -0.7 69 70 A S E < +BC 24 66A 69 -3,-1.6 -3,-0.9 -45,-0.2 2,-0.3 -0.833 55.9 175.6-110.5 109.4 85.1 21.2 2.1 70 71 A Y E -BC 23 65A 6 -47,-2.8 -47,-2.8 -2,-0.7 2,-0.3 -0.750 6.8-169.1-107.9 150.7 81.9 21.9 4.2 71 72 A S E -BC 22 64A 21 -7,-3.0 -7,-2.2 -2,-0.3 2,-0.4 -0.993 16.8-153.4-143.0 151.1 80.4 19.8 6.9 72 73 A L E -BC 21 63A 0 -51,-2.4 -51,-2.9 -2,-0.3 2,-0.4 -0.988 20.7-160.6-122.1 129.9 77.2 19.5 8.9 73 74 A T E -BC 20 62A 18 -11,-2.7 -11,-2.2 -2,-0.4 2,-0.6 -0.931 17.8-163.9-120.9 135.0 77.4 17.8 12.3 74 75 A I E -BC 19 61A 0 -55,-2.9 -55,-2.4 -2,-0.4 3,-0.3 -0.963 10.5-165.2-109.7 109.2 74.8 16.2 14.6 75 76 A S S S+ 0 0 56 -15,-2.9 2,-0.2 -2,-0.6 -1,-0.1 0.719 80.9 14.3 -76.8 -18.4 76.5 16.0 17.9 76 77 A S S S- 0 0 46 -16,-0.2 -1,-0.3 -57,-0.1 -58,-0.2 -0.687 85.6-138.0-154.3 104.4 73.8 13.6 19.3 77 78 A V - 0 0 2 -60,-2.5 -61,-2.4 -63,-0.3 2,-0.3 -0.205 21.6-170.8 -74.3 152.3 71.5 12.0 16.9 78 79 A E > - 0 0 78 -63,-0.2 3,-3.0 -62,-0.1 4,-0.3 -0.978 38.6-103.0-144.4 155.1 67.8 11.6 17.5 79 80 A A G > S+ 0 0 31 -2,-0.3 3,-0.8 1,-0.3 26,-0.2 0.703 116.9 55.1 -46.9 -29.3 64.8 9.9 16.1 80 81 A E G 3 S+ 0 0 90 1,-0.2 -1,-0.3 88,-0.1 87,-0.1 0.362 86.6 78.3 -93.9 2.0 63.5 13.1 14.6 81 82 A D G < + 0 0 0 -3,-3.0 2,-0.3 86,-0.1 -1,-0.2 0.564 59.7 121.8 -87.6 -7.5 66.6 13.9 12.6 82 83 A D < + 0 0 14 -3,-0.8 2,-0.3 -4,-0.3 22,-0.2 -0.390 45.7 100.7 -55.2 114.3 65.6 11.4 10.0 83 84 A A E S- H 0 103B 7 20,-0.7 20,-2.7 -2,-0.3 2,-0.5 -0.946 76.0 -87.0-174.4 179.9 65.5 13.6 6.9 84 85 A T E -EH 37 102B 22 -47,-2.7 -47,-2.4 -2,-0.3 2,-0.5 -0.950 36.1-153.9-108.5 131.6 67.5 14.6 3.8 85 86 A Y E -EH 36 101B 0 16,-2.4 16,-2.5 -2,-0.5 2,-0.5 -0.931 8.6-166.1-110.2 124.9 69.9 17.4 4.2 86 87 A Y E -E 35 0B 17 -51,-2.2 -51,-2.1 -2,-0.5 2,-0.2 -0.915 8.4-147.6-107.0 130.6 70.9 19.5 1.2 87 88 A a E -E 34 0B 0 -2,-0.5 11,-2.0 -53,-0.2 2,-0.3 -0.582 13.1-164.9 -85.7 159.7 73.8 21.9 1.0 88 89 A Q E -EI 33 97B 0 -55,-1.7 -55,-2.4 9,-0.2 2,-0.3 -0.970 13.5-136.4-148.6 128.2 73.7 25.0 -1.1 89 90 A Q E -EI 32 96B 0 7,-2.0 7,-0.6 -2,-0.3 2,-0.2 -0.669 12.9-172.2 -89.4 138.2 76.5 27.3 -2.2 90 91 A W + 0 0 11 -59,-2.3 3,-0.1 -2,-0.3 -59,-0.1 -0.569 65.8 77.3-124.6 68.0 75.9 31.1 -2.0 91 92 A S S S+ 0 0 14 1,-0.3 2,-0.4 -2,-0.2 359,-0.1 0.581 85.1 38.7-148.0 -50.2 79.0 32.2 -3.7 92 93 A K S S- 0 0 98 2,-0.2 -1,-0.3 4,-0.1 -90,-0.2 -0.975 90.4 -85.2-122.3 131.5 78.9 31.9 -7.6 93 94 A H S S+ 0 0 34 -2,-0.4 354,-0.1 -3,-0.1 2,-0.1 -0.549 105.4 47.7 -67.9 130.9 75.9 32.6 -9.8 94 95 A P S S- 0 0 8 0, 0.0 -92,-0.4 0, 0.0 -2,-0.2 0.556 90.3-124.6 -92.0 157.1 73.9 30.4 -10.3 95 96 A L - 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