==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM/METAL TRANSPORT 15-AUG-08 2JK5 . COMPND 2 MOLECULE: ANTIBODY FAB FRAGMENT LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR M.J.LENAEUS,P.J.FOCIA,T.WAGNER,A.GROSS . 534 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 32.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 4 0.7 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 . 44 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 3 6 5 2 3 7 3 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 . 0 0 5 1 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 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 Q 0 0 176 0, 0.0 24,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.1 -33.9 30.7 16.8 2 2 A V - 0 0 100 1,-0.2 3,-0.1 22,-0.0 107,-0.1 -0.085 360.0-161.4 -32.9 108.0 -34.3 27.5 19.0 3 3 A Q S S+ 0 0 70 1,-0.2 22,-2.2 105,-0.1 2,-0.4 0.825 74.0 33.6 -71.9 -31.2 -32.8 24.8 16.8 4 4 A L E S-A 24 0A 4 104,-0.3 2,-0.6 20,-0.2 106,-0.4 -0.966 70.9-160.6-135.5 116.8 -34.4 21.9 18.7 5 5 A Q E +A 23 0A 125 18,-2.4 18,-2.2 -2,-0.4 104,-0.1 -0.856 14.3 170.8-107.8 116.8 -37.8 22.0 20.3 6 6 A Q - 0 0 25 -2,-0.6 16,-0.1 16,-0.2 104,-0.1 -0.924 38.0-106.0-117.5 147.3 -38.9 19.5 23.0 7 7 A P - 0 0 47 0, 0.0 3,-0.1 0, 0.0 106,-0.1 -0.384 28.6-127.3 -60.1 147.7 -42.0 19.5 25.2 8 8 A G S S+ 0 0 30 104,-0.2 105,-3.1 1,-0.1 2,-0.3 0.799 78.3 11.2 -67.1 -31.8 -41.2 20.4 28.9 9 9 A A E -d 113 0B 11 103,-0.3 2,-0.3 196,-0.1 105,-0.2 -0.996 45.6-172.2-155.4 149.4 -42.8 17.4 30.5 10 10 A E E -d 114 0B 62 103,-2.5 105,-2.5 -2,-0.3 2,-0.5 -0.975 13.5-155.9-140.9 132.9 -44.4 13.9 30.2 11 11 A L E +d 115 0B 47 -2,-0.3 2,-0.3 103,-0.2 105,-0.2 -0.931 19.8 179.6-107.7 132.5 -46.1 12.0 33.0 12 12 A V E -d 116 0B 8 103,-2.7 105,-2.0 -2,-0.5 6,-0.1 -0.991 23.8-126.5-140.1 138.1 -46.2 8.2 32.5 13 13 A K > - 0 0 129 -2,-0.3 3,-3.0 103,-0.2 73,-0.3 -0.617 46.2 -84.5 -85.7 143.0 -47.6 5.3 34.6 14 14 A P T 3 S+ 0 0 85 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.161 118.9 16.0 -43.7 130.8 -45.5 2.4 35.7 15 15 A G T 3 S+ 0 0 48 71,-2.7 70,-0.4 1,-0.3 2,-0.1 0.222 104.5 109.9 88.5 -14.1 -45.5 -0.1 32.8 16 16 A A < - 0 0 40 -3,-3.0 70,-2.0 70,-0.2 -1,-0.3 -0.346 60.2-125.8 -86.7 171.8 -46.8 2.4 30.2 17 17 A S - 0 0 65 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.706 16.6-165.8-116.1 166.0 -45.0 3.9 27.2 18 18 A V E - B 0 83A 13 65,-2.8 65,-2.9 -2,-0.2 2,-0.5 -0.987 13.4-144.3-147.8 154.1 -44.3 7.5 25.9 19 19 A K E - B 0 82A 109 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.953 18.1-158.3-124.0 111.7 -43.1 9.0 22.7 20 20 A L E - B 0 81A 2 61,-2.7 61,-2.0 -2,-0.5 2,-0.3 -0.650 7.4-150.5 -91.1 144.7 -40.9 12.1 23.0 21 21 A S E - B 0 80A 38 -2,-0.3 2,-0.2 59,-0.2 59,-0.2 -0.738 15.0-172.7-114.0 163.9 -40.5 14.5 20.1 22 22 A a E - B 0 79A 1 57,-1.1 57,-2.3 -2,-0.3 2,-0.7 -0.758 13.9-156.0-158.0 94.3 -37.7 16.8 19.1 23 23 A K E -AB 5 78A 29 -18,-2.2 -18,-2.4 -2,-0.2 55,-0.2 -0.734 13.0-151.6 -84.9 113.4 -38.5 19.2 16.2 24 24 A A E +A 4 0A 22 53,-2.5 2,-0.3 -2,-0.7 -20,-0.2 -0.562 19.6 169.8 -83.6 146.0 -35.3 20.3 14.4 25 25 A S + 0 0 46 -22,-2.2 2,-0.1 -2,-0.2 -22,-0.0 -0.868 38.3 48.6-143.8 177.0 -35.0 23.7 12.6 26 26 A G S S- 0 0 39 -2,-0.3 2,-0.1 2,-0.1 -24,-0.0 -0.449 105.0 -0.6 84.1-165.6 -32.1 25.7 11.0 27 27 A Y - 0 0 185 -2,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.390 70.0-169.6 -58.5 127.1 -29.6 24.2 8.6 28 28 A T + 0 0 83 -2,-0.1 2,-0.3 -4,-0.1 -2,-0.1 -0.993 6.0 179.9-128.6 125.5 -30.3 20.5 8.0 29 29 A F > - 0 0 111 -2,-0.4 3,-1.5 1,-0.1 25,-0.3 -0.806 41.0-117.3-120.1 159.9 -28.0 18.1 6.1 30 30 A T T 3 S+ 0 0 94 -2,-0.3 24,-0.2 1,-0.3 25,-0.1 0.782 116.1 61.8 -61.7 -28.0 -28.0 14.3 5.1 31 31 A S T 3 S+ 0 0 32 69,-0.1 -1,-0.3 22,-0.1 2,-0.2 0.520 81.6 116.0 -75.2 -4.8 -24.9 14.0 7.3 32 32 A D < - 0 0 9 -3,-1.5 22,-0.4 68,-0.1 2,-0.4 -0.454 45.2-165.4 -75.3 135.8 -26.9 15.1 10.5 33 33 A W E -E 99 0B 0 66,-3.1 66,-3.0 -2,-0.2 2,-0.5 -0.936 9.5-148.5-113.8 141.4 -27.4 12.8 13.5 34 34 A I E -EF 98 51B 8 17,-2.6 17,-1.5 -2,-0.4 2,-0.3 -0.950 19.1-165.0-107.0 122.0 -29.9 13.4 16.3 35 35 A H E -EF 97 50B 0 62,-2.7 62,-2.1 -2,-0.5 2,-0.4 -0.702 10.9-146.4-104.8 158.4 -28.8 12.0 19.7 36 36 A W E -EF 96 49B 0 13,-2.1 12,-2.7 -2,-0.3 13,-1.1 -0.989 15.2-170.0-125.3 135.6 -30.7 11.4 22.8 37 37 A V E -EF 95 47B 0 58,-2.6 58,-2.9 -2,-0.4 2,-0.5 -0.992 10.8-145.7-134.3 128.2 -29.2 11.8 26.3 38 38 A K E -EF 94 46B 27 8,-3.2 8,-2.1 -2,-0.4 2,-0.4 -0.835 14.7-178.3-100.6 129.6 -30.6 10.8 29.7 39 39 A Q E -EF 93 45B 20 54,-3.0 54,-2.6 -2,-0.5 6,-0.1 -0.961 10.2-158.7-128.0 112.4 -29.9 12.9 32.9 40 40 A R > - 0 0 112 4,-0.5 3,-1.4 -2,-0.4 52,-0.1 -0.581 47.7 -74.9 -79.4 152.3 -31.3 11.7 36.3 41 41 A P T 3 S- 0 0 108 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.205 117.3 -1.9 -51.1 128.0 -31.6 14.4 39.0 42 42 A G T 3 S+ 0 0 92 1,-0.2 2,-0.0 -3,-0.1 -2,-0.0 0.123 116.4 99.5 73.9 -22.2 -28.2 15.3 40.4 43 43 A H S < S- 0 0 103 -3,-1.4 -1,-0.2 1,-0.2 2,-0.0 -0.199 71.1 -96.4 -88.6-175.4 -26.5 12.8 38.2 44 44 A G - 0 0 24 1,-0.1 -4,-0.5 -3,-0.1 2,-0.4 -0.055 45.4 -67.0 -92.0-166.9 -24.5 13.1 34.9 45 45 A L E -F 39 0B 14 274,-0.4 2,-0.4 -6,-0.1 273,-0.2 -0.688 42.7-170.8 -88.9 127.8 -25.1 12.7 31.2 46 46 A E E -F 38 0B 69 -8,-2.1 -8,-3.2 -2,-0.4 2,-0.4 -0.983 20.3-130.2-124.0 128.8 -25.8 9.2 29.8 47 47 A W E +F 37 0B 7 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.589 26.6 174.5 -83.6 127.7 -25.9 8.5 26.0 48 48 A I E - 0 0 12 -12,-2.7 13,-2.7 -2,-0.4 2,-0.3 0.887 51.2 -56.9 -97.9 -48.8 -29.0 6.6 24.9 49 49 A G E -FG 36 60B 0 -13,-1.1 -13,-2.1 11,-0.3 -1,-0.4 -0.973 39.2-126.2-178.6-179.5 -28.8 6.4 21.1 50 50 A E E -FG 35 59B 0 9,-2.2 9,-1.7 -2,-0.3 2,-0.3 -0.955 10.9-162.2-144.8 157.3 -28.6 8.2 17.7 51 51 A I E -FG 34 58B 2 -17,-1.5 -17,-2.6 -2,-0.3 7,-0.2 -0.994 17.3-143.7-142.7 142.3 -30.5 8.3 14.4 52 52 A I E >>> - G 0 57B 0 5,-2.2 4,-4.1 -2,-0.3 3,-2.2 -0.901 17.3-164.7-101.9 100.1 -29.5 9.6 11.0 53 53 A P T 345S+ 0 0 45 0, 0.0 21,-0.2 0, 0.0 -1,-0.2 0.868 83.9 63.1 -59.4 -36.4 -32.9 11.0 9.8 54 54 A S T 345S+ 0 0 53 -22,-0.4 -24,-0.1 -25,-0.3 -23,-0.1 0.597 125.4 16.6 -60.2 -12.5 -31.8 11.2 6.2 55 55 A Y T <45S- 0 0 142 -3,-2.2 -1,-0.2 2,-0.1 3,-0.1 0.552 94.8-130.5-133.2 -26.7 -31.5 7.4 6.2 56 56 A G T <5 + 0 0 46 -4,-4.1 2,-0.3 1,-0.3 -2,-0.1 0.493 54.7 144.5 84.0 2.4 -33.4 6.2 9.3 57 57 A R E < -G 52 0B 98 -5,-0.5 -5,-2.2 14,-0.0 2,-0.4 -0.609 29.1-168.2 -71.7 130.6 -30.6 4.0 10.7 58 58 A A E -G 51 0B 23 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.972 9.7-165.5-125.7 142.4 -30.5 4.1 14.5 59 59 A N E -G 50 0B 8 -9,-1.7 -9,-2.2 -2,-0.4 2,-0.3 -0.923 10.6-152.4-125.5 152.3 -27.9 2.8 17.0 60 60 A Y E -G 49 0B 48 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.3 -0.904 26.7 -98.3-131.8 149.3 -28.2 2.2 20.8 61 61 A N - 0 0 22 -13,-2.7 3,-0.3 -2,-0.3 -13,-0.0 -0.517 30.7-164.9 -61.2 119.0 -26.1 2.2 23.9 62 62 A E S S+ 0 0 129 -2,-0.4 -1,-0.2 1,-0.2 4,-0.1 0.670 78.7 69.5 -82.8 -22.1 -25.4 -1.5 24.6 63 63 A K S S+ 0 0 120 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.724 98.3 56.6 -67.9 -22.9 -24.3 -1.1 28.2 64 64 A I S S- 0 0 49 -3,-0.3 2,-0.1 -16,-0.1 -4,-0.0 -0.765 98.7 -90.4-115.7 155.3 -27.9 -0.2 29.4 65 65 A Q - 0 0 143 -2,-0.3 2,-1.1 1,-0.1 3,-0.2 -0.397 50.1-109.8 -63.6 137.2 -31.2 -2.0 29.1 66 66 A K + 0 0 122 1,-0.2 -1,-0.1 -4,-0.1 -4,-0.0 -0.578 58.8 144.5 -82.0 97.6 -33.0 -1.1 25.9 67 67 A K + 0 0 39 -2,-1.1 17,-2.1 16,-0.1 -1,-0.2 0.653 53.1 82.3 -96.6 -20.7 -36.1 1.1 26.7 68 68 A A E -C 83 0A 2 15,-0.2 2,-0.3 -3,-0.2 15,-0.2 -0.496 47.0-175.1 -93.7 152.9 -35.8 3.3 23.6 69 69 A T E -C 82 0A 63 13,-0.7 13,-2.9 -2,-0.2 2,-0.4 -0.906 20.5-151.0-140.2 117.5 -36.8 3.1 19.9 70 70 A L E +C 81 0A 8 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.729 22.6 161.0 -99.0 134.4 -35.7 6.0 17.7 71 71 A T E -C 80 0A 58 9,-2.0 9,-3.0 -2,-0.4 2,-0.3 -0.875 17.2-156.5-138.1 167.7 -37.6 7.1 14.6 72 72 A A E -C 79 0A 37 -2,-0.3 2,-0.6 7,-0.3 7,-0.2 -0.988 12.3-142.4-149.9 150.8 -37.6 10.3 12.5 73 73 A D E >> -C 78 0A 61 5,-2.5 5,-1.4 -2,-0.3 4,-0.8 -0.957 9.6-161.9-118.4 108.0 -40.0 12.1 10.1 74 74 A K T 45S+ 0 0 86 -2,-0.6 -1,-0.1 1,-0.2 3,-0.1 0.858 87.2 46.7 -60.4 -39.8 -38.2 13.7 7.2 75 75 A S T 45S+ 0 0 114 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.934 119.4 36.5 -72.9 -47.8 -41.1 16.0 6.2 76 76 A S T 45S- 0 0 64 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.456 103.8-130.9 -81.7 -0.7 -42.0 17.4 9.7 77 77 A S T <5 + 0 0 50 -4,-0.8 -53,-2.5 1,-0.2 2,-0.5 0.829 57.1 145.1 53.7 38.7 -38.2 17.4 10.6 78 78 A T E < -BC 23 73A 19 -5,-1.4 -5,-2.5 -55,-0.2 2,-0.4 -0.914 39.9-156.9-116.1 128.3 -39.0 15.6 13.9 79 79 A A E -BC 22 72A 3 -57,-2.3 -57,-1.1 -2,-0.5 2,-0.3 -0.817 17.3-162.1 -94.5 140.5 -37.0 12.9 15.7 80 80 A F E -BC 21 71A 45 -9,-3.0 -9,-2.0 -2,-0.4 2,-0.4 -0.928 13.8-162.0-122.6 145.8 -38.9 10.7 18.1 81 81 A M E -BC 20 70A 0 -61,-2.0 -61,-2.7 -2,-0.3 2,-0.8 -0.979 11.7-153.7-125.0 118.5 -37.8 8.4 20.9 82 82 A Q E -BC 19 69A 49 -13,-2.9 -13,-0.7 -2,-0.4 2,-0.6 -0.829 8.7-165.8 -92.2 112.2 -40.3 5.8 22.0 83 83 A L E -BC 18 68A 4 -65,-2.9 -65,-2.8 -2,-0.8 2,-0.3 -0.899 13.4-164.9 -97.1 122.7 -39.7 4.9 25.6 84 84 A S + 0 0 52 -17,-2.1 -67,-0.2 -2,-0.6 -68,-0.1 -0.820 53.2 0.7-114.9 149.3 -41.6 1.6 26.5 85 85 A S S S- 0 0 69 -70,-0.4 -1,-0.2 -2,-0.3 -68,-0.2 0.874 81.6-163.9 45.9 61.2 -42.5 -0.1 29.8 86 86 A L - 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