==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 18-DEC-07 3BPC . COMPND 2 MOLECULE: FAB, ANTIBODY FRAGMENT (IGG1K), LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.L.BROOKS,S.V.EVANS . 430 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 171 39.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 41 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 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 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 0 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 PARALLEL BRIDGES PER LADDER . 6 2 4 2 5 9 1 0 1 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 . 1 0 5 1 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 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 0 166 0, 0.0 2,-0.7 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0-177.6 37.8 -11.8 -7.7 2 2 A I - 0 0 12 97,-0.2 2,-0.5 99,-0.1 94,-0.1 -0.850 360.0-165.0-108.4 111.3 34.1 -12.4 -8.3 3 3 A V - 0 0 71 -2,-0.7 23,-2.0 99,-0.0 2,-0.5 -0.744 2.2-159.4 -92.3 124.6 33.3 -13.9 -11.8 4 4 A M E -A 25 0A 14 -2,-0.5 2,-0.4 99,-0.3 101,-0.3 -0.894 9.8-174.0-106.0 129.0 29.8 -13.8 -13.0 5 5 A S E -A 24 0A 61 19,-3.0 19,-3.6 -2,-0.5 2,-0.3 -0.973 3.9-163.8-127.1 138.5 28.7 -16.2 -15.7 6 6 A Q E -A 23 0A 28 -2,-0.4 17,-0.2 17,-0.2 87,-0.0 -0.879 13.6-125.9-122.3 155.1 25.4 -16.3 -17.6 7 7 A S E S+A 22 0A 71 15,-1.9 15,-3.3 -2,-0.3 2,-0.1 -0.980 75.1 28.3-152.6 142.0 23.7 -19.0 -19.7 8 8 A P - 0 0 39 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.684 63.0-148.0 -74.7 173.7 22.5 -19.4 -22.4 9 9 A S S S- 0 0 104 1,-0.3 99,-2.6 98,-0.2 2,-0.3 0.884 82.5 -15.9 -66.1 -40.1 24.4 -16.9 -24.6 10 10 A S E +d 108 0B 68 97,-0.2 -1,-0.3 81,-0.0 2,-0.3 -0.977 64.7 171.8-158.8 158.6 21.2 -16.5 -26.6 11 11 A L E -d 109 0B 51 97,-1.9 99,-3.0 -2,-0.3 2,-0.4 -0.956 22.4-133.8-161.0 160.4 17.9 -18.3 -27.2 12 12 A A E -d 110 0B 47 -2,-0.3 2,-0.3 97,-0.2 99,-0.2 -0.980 20.7-176.2-124.6 139.9 14.7 -17.5 -29.1 13 13 A V E -d 111 0B 13 97,-1.9 99,-1.8 -2,-0.4 2,-0.2 -0.984 26.0-116.9-133.8 143.0 11.2 -18.1 -27.7 14 14 A S E > -d 112 0B 37 -2,-0.3 3,-2.1 97,-0.2 70,-0.2 -0.509 47.3 -88.4 -76.1 144.5 7.7 -17.7 -29.2 15 15 A A T 3 S+ 0 0 61 97,-0.8 70,-0.2 1,-0.2 -1,-0.1 -0.249 116.8 29.0 -45.8 138.2 5.3 -15.0 -27.7 16 16 A G T 3 S+ 0 0 44 68,-3.0 67,-0.4 1,-0.3 -1,-0.2 0.295 98.6 109.3 90.6 -9.3 3.4 -16.7 -24.8 17 17 A E S < S- 0 0 97 -3,-2.1 67,-3.0 67,-0.2 -1,-0.3 -0.449 72.6 -99.3 -93.5 171.6 6.0 -19.2 -23.9 18 18 A K - 0 0 139 65,-0.2 2,-0.4 64,-0.2 64,-0.2 -0.681 28.1-157.1 -92.4 142.5 8.2 -19.4 -20.8 19 19 A V E - B 0 81A 1 62,-2.7 62,-2.7 -2,-0.3 2,-0.4 -0.974 8.1-172.7-122.6 132.6 11.9 -18.2 -20.8 20 20 A T E + B 0 80A 70 -2,-0.4 2,-0.3 60,-0.2 60,-0.2 -0.994 7.6 172.9-126.2 132.8 14.4 -19.5 -18.3 21 21 A M E - B 0 79A 1 58,-1.8 58,-2.6 -2,-0.4 2,-0.3 -0.997 15.9-141.3-143.7 152.0 17.9 -18.1 -17.9 22 22 A S E -AB 7 78A 53 -15,-3.3 -15,-1.9 -2,-0.3 2,-0.4 -0.732 10.2-169.8-121.4 152.6 20.8 -18.6 -15.5 23 23 A a E -AB 6 77A 2 54,-2.6 54,-2.4 -2,-0.3 2,-0.4 -0.975 9.7-168.9-141.1 125.7 23.4 -16.7 -13.7 24 24 A K E -AB 5 76A 101 -19,-3.6 -19,-3.0 -2,-0.4 2,-0.4 -0.887 5.6-158.1-116.1 145.1 26.3 -18.1 -11.7 25 25 A S E -A 4 0A 2 50,-2.2 -21,-0.2 -2,-0.4 4,-0.1 -0.971 23.2-131.6-116.7 142.6 28.8 -16.5 -9.3 26 26 A S S S+ 0 0 70 -23,-2.0 2,-0.3 -2,-0.4 -22,-0.1 0.639 95.1 25.2 -62.5 -21.7 32.3 -17.8 -8.4 27 27 A Q S S- 0 0 82 -24,-0.2 2,-0.1 47,-0.1 -25,-0.0 -0.970 102.3 -78.8-139.6 161.7 31.5 -17.2 -4.8 28 28 A S - 0 0 50 -2,-0.3 47,-0.2 1,-0.1 -2,-0.1 -0.323 26.1-163.0 -55.1 134.9 28.3 -17.0 -2.7 29 29 A L + 0 0 0 45,-2.2 9,-2.0 -4,-0.1 2,-0.8 0.311 53.1 121.1 -97.4 5.4 26.5 -13.6 -2.9 30 30 A L B -J 37 0C 72 7,-0.2 2,-0.4 5,-0.1 7,-0.3 -0.637 58.2-146.3 -76.2 109.1 24.5 -14.4 0.4 31 30AA N > - 0 0 29 5,-2.8 4,-1.7 -2,-0.8 5,-0.5 -0.625 1.8-152.7 -76.8 123.4 25.4 -11.5 2.7 32 30BA S T 4 S+ 0 0 107 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.759 89.8 59.6 -74.2 -20.6 25.5 -12.9 6.3 33 30CA R T 4 S+ 0 0 189 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.922 123.9 16.0 -73.1 -48.0 24.6 -9.5 7.8 34 30DA T T 4 S- 0 0 36 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.466 95.8-130.4-106.1 -7.8 21.3 -9.0 6.1 35 30EA R < + 0 0 194 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.798 67.6 123.1 62.8 28.1 20.8 -12.6 5.0 36 30FA K - 0 0 80 -5,-0.5 -5,-2.8 -7,-0.1 2,-0.6 -0.874 67.1-116.4-117.8 153.8 20.0 -11.4 1.4 37 31 A N B -J 30 0C 15 19,-0.3 2,-1.9 -2,-0.3 -7,-0.2 -0.822 19.7-142.0 -89.0 122.1 21.7 -12.3 -1.9 38 32 A Y + 0 0 18 -9,-2.0 59,-2.1 -2,-0.6 60,-0.6 -0.560 58.6 125.0 -85.9 71.8 23.2 -9.2 -3.4 39 33 A L E -E 96 0B 2 -2,-1.9 18,-3.4 57,-0.2 2,-0.3 -0.994 35.8-175.6-140.0 123.3 22.3 -10.1 -7.0 40 34 A A E -E 95 0B 1 55,-2.5 55,-1.9 -2,-0.4 2,-0.4 -0.889 15.2-142.0-124.7 151.2 20.3 -8.0 -9.4 41 35 A W E -EF 94 54B 0 13,-2.9 12,-2.7 -2,-0.3 13,-1.5 -0.943 16.0-171.7-113.5 139.5 18.9 -8.4 -12.9 42 36 A Y E -EF 93 52B 0 51,-2.8 51,-2.8 -2,-0.4 2,-0.5 -0.950 12.4-146.3-130.1 145.5 18.8 -5.7 -15.6 43 37 A Q E -EF 92 51B 7 8,-2.8 8,-1.7 -2,-0.4 2,-0.6 -0.940 8.6-167.8-113.9 129.8 17.1 -5.7 -19.0 44 38 A Q E -E 91 0B 17 47,-3.2 47,-2.5 -2,-0.5 3,-0.1 -0.910 8.1-160.2-121.4 103.4 18.6 -3.9 -21.9 45 39 A K > - 0 0 24 -2,-0.6 3,-2.3 4,-0.5 45,-0.2 -0.348 47.3 -70.1 -78.2 156.4 16.3 -3.4 -24.9 46 40 A P T 3 S- 0 0 41 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.314 119.8 -1.8 -56.0 132.0 17.9 -2.7 -28.3 47 41 A G T 3 S+ 0 0 88 1,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.598 113.7 108.7 60.7 16.6 19.5 0.8 -28.4 48 42 A Q S < S- 0 0 104 -3,-2.3 -1,-0.2 1,-0.0 3,-0.1 -0.725 73.9-103.5-110.1 164.6 18.2 1.5 -24.8 49 43 A S - 0 0 24 -2,-0.2 -4,-0.5 1,-0.1 283,-0.1 -0.512 51.5 -85.1 -75.0 158.1 20.0 1.8 -21.4 50 44 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.333 45.6-155.7 -61.5 146.9 19.9 -1.1 -18.9 51 45 A K E -F 43 0B 91 -8,-1.7 -8,-2.8 278,-0.1 2,-0.2 -0.999 19.2-111.8-127.5 130.2 16.7 -1.0 -16.7 52 46 A L E +F 42 0B 9 -2,-0.4 -10,-0.2 276,-0.3 3,-0.1 -0.444 41.1 161.0 -59.8 128.6 16.4 -2.6 -13.2 53 47 A L E + 0 0 1 -12,-2.7 8,-2.3 1,-0.4 2,-0.3 0.713 63.5 6.4-105.6 -55.4 14.0 -5.6 -13.1 54 48 A I E -FG 41 60B 0 -13,-1.5 -13,-2.9 6,-0.2 -1,-0.4 -0.979 58.3-179.7-138.0 145.3 14.9 -7.6 -9.9 55 49 A Y E > + G 0 59B 14 4,-2.2 4,-2.6 -2,-0.3 3,-0.5 -0.922 67.2 36.8-143.6 172.9 17.2 -7.1 -6.9 56 50 A W T 4 S- 0 0 41 269,-0.5 2,-1.9 -2,-0.3 -19,-0.3 0.880 123.6 -79.9 45.9 41.4 18.1 -9.0 -3.8 57 51 A A T 4 S+ 0 0 2 -18,-3.4 -1,-0.2 1,-0.2 21,-0.2 -0.168 126.7 28.3 68.5 -41.4 17.7 -12.1 -6.2 58 52 A S T 4 S+ 0 0 75 -2,-1.9 2,-0.7 -3,-0.5 12,-0.3 0.402 83.9 112.8-133.7 -4.5 13.9 -12.2 -6.0 59 53 A T E < -G 55 0B 48 -4,-2.6 -4,-2.2 10,-0.1 2,-0.6 -0.684 56.5-144.6 -83.0 114.5 12.5 -8.6 -5.3 60 54 A R E -G 54 0B 78 -2,-0.7 -6,-0.2 -6,-0.2 3,-0.1 -0.695 18.9-123.2 -83.2 119.7 10.6 -7.3 -8.2 61 55 A E > - 0 0 43 -8,-2.3 3,-1.9 -2,-0.6 -1,-0.1 -0.227 37.0 -92.9 -56.7 141.4 11.1 -3.6 -8.7 62 56 A S T 3 S+ 0 0 110 1,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.341 113.8 29.0 -56.5 139.3 7.8 -1.5 -8.7 63 57 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.316 91.2 119.7 90.8 -6.1 6.5 -1.0 -12.3 64 58 A V S < S- 0 0 15 -3,-1.9 -1,-0.3 -11,-0.1 -11,-0.1 -0.788 72.3-103.1 -94.6 130.2 8.0 -4.3 -13.5 65 59 A P > - 0 0 48 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.159 20.3-121.5 -52.4 141.2 5.5 -6.9 -14.9 66 60 A D T 3 S+ 0 0 135 1,-0.2 16,-0.1 15,-0.0 -2,-0.0 0.639 105.8 76.4 -47.5 -26.4 4.5 -9.9 -12.8 67 61 A R T 3 S+ 0 0 20 14,-0.1 15,-2.1 16,-0.1 2,-0.6 0.741 80.2 78.8 -68.3 -18.1 5.8 -12.2 -15.6 68 62 A F E < +C 81 0A 3 -3,-1.6 2,-0.4 13,-0.2 13,-0.2 -0.782 61.0 172.1 -91.4 119.2 9.4 -11.5 -14.5 69 63 A T E -C 80 0A 59 11,-2.8 11,-2.9 -2,-0.6 2,-0.3 -0.987 17.6-156.3-133.2 128.4 10.5 -13.6 -11.5 70 64 A G E +C 79 0A 3 -2,-0.4 2,-0.3 -12,-0.3 9,-0.2 -0.770 22.7 163.9 -99.3 148.2 14.0 -13.9 -10.0 71 65 A S E +C 78 0A 50 7,-2.1 7,-2.2 -2,-0.3 2,-0.1 -0.908 19.3 69.4-152.3 172.0 15.0 -16.9 -7.9 72 66 A G E -C 77 0A 42 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.375 48.7-130.0 103.1-177.3 18.0 -18.8 -6.4 73 67 A S E > +C 76 0A 66 3,-1.6 3,-1.7 -2,-0.1 2,-0.7 -0.968 60.4 5.0-168.1 156.2 20.5 -18.2 -3.8 74 68 A G T 3 S- 0 0 12 -2,-0.3 -45,-2.2 1,-0.3 -47,-0.1 -0.482 129.4 -5.7 68.7-103.0 24.3 -18.3 -3.1 75 69 A T T 3 S+ 0 0 51 -2,-0.7 -50,-2.2 -47,-0.2 2,-0.4 0.497 125.1 63.8 -99.4 -9.6 26.1 -19.1 -6.3 76 70 A D E < +BC 24 73A 76 -3,-1.7 -3,-1.6 -52,-0.2 2,-0.3 -0.983 54.0 171.2-136.0 129.7 23.1 -19.8 -8.6 77 71 A F E -BC 23 72A 1 -54,-2.4 -54,-2.6 -2,-0.4 2,-0.4 -0.907 11.7-159.4-137.2 150.4 20.3 -17.5 -9.8 78 72 A T E -BC 22 71A 36 -7,-2.2 -7,-2.1 -2,-0.3 2,-0.5 -0.998 8.1-155.8-138.8 134.1 17.5 -17.7 -12.4 79 73 A L E -BC 21 70A 0 -58,-2.6 -58,-1.8 -2,-0.4 2,-0.4 -0.965 18.3-168.2-105.7 124.3 15.4 -15.2 -14.2 80 74 A T E -BC 20 69A 28 -11,-2.9 -11,-2.8 -2,-0.5 2,-0.5 -0.935 8.8-170.0-114.6 132.7 12.1 -16.6 -15.4 81 75 A I E -BC 19 68A 0 -62,-2.7 -62,-2.7 -2,-0.4 3,-0.4 -0.980 10.7-162.0-119.6 116.1 9.8 -14.8 -17.8 82 76 A T S S+ 0 0 60 -15,-2.1 -64,-0.2 -2,-0.5 -65,-0.1 -0.663 72.0 9.4 -91.9 154.9 6.3 -16.4 -18.2 83 77 A S S S- 0 0 76 -67,-0.4 -1,-0.2 -2,-0.2 -65,-0.2 0.909 92.5-144.2 48.0 51.3 4.0 -15.6 -21.1 84 78 A V - 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