==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 09-FEB-11 3QNX . COMPND 2 MOLECULE: FAB FRAGMENT OF IMMUNOGLOBULIN A1 LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.TRAJTENBERG,A.CORREA,A.BUSCHIAZZO . 438 2 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19311.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 171 39.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 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 . 35 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 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 RESIDUES PER ALPHA HELIX . 0 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 4 3 4 9 0 1 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 1 4 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 D 0 0 140 0, 0.0 2,-0.2 0, 0.0 100,-0.1 0.000 360.0 360.0 360.0 134.7 -11.8 29.5 15.7 2 2 A I - 0 0 2 98,-0.3 2,-0.5 96,-0.1 93,-0.1 -0.480 360.0-140.1 -66.2 125.7 -11.1 26.0 14.3 3 3 A V - 0 0 83 -2,-0.2 23,-1.6 99,-0.1 2,-0.5 -0.813 13.1-162.2 -93.2 124.9 -11.2 23.5 17.2 4 4 A M E -A 25 0A 9 -2,-0.5 2,-0.5 99,-0.4 21,-0.2 -0.940 6.8-172.6-106.6 124.1 -8.6 20.7 17.2 5 5 A T E -A 24 0A 64 19,-2.7 19,-2.7 -2,-0.5 2,-0.3 -0.981 6.0-158.9-124.0 120.5 -9.3 17.6 19.4 6 6 A Q E -A 23 0A 9 -2,-0.5 17,-0.2 17,-0.2 99,-0.1 -0.717 13.4-128.2 -95.3 150.4 -6.7 14.9 19.9 7 7 A S E S+A 22 0A 71 15,-2.2 15,-3.2 -2,-0.3 2,-0.2 -0.977 78.3 20.2-151.8 132.4 -7.4 11.3 21.0 8 8 A P - 0 0 53 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.649 67.8-150.0 -77.7 177.1 -6.2 9.6 23.2 9 9 A L S S+ 0 0 93 1,-0.2 99,-1.7 -2,-0.2 2,-0.3 0.625 79.3 14.8 -89.7 -7.9 -4.7 12.2 25.6 10 10 A S E -d 108 0B 83 97,-0.3 2,-0.3 80,-0.0 -1,-0.2 -0.971 63.3-168.8-160.7 147.8 -1.9 9.8 26.8 11 11 A L E -d 109 0B 41 97,-2.3 99,-3.1 -2,-0.3 2,-0.4 -0.984 11.9-163.5-138.0 149.9 -0.3 6.5 25.7 12 12 A S E +d 110 0B 41 -2,-0.3 2,-0.4 97,-0.2 99,-0.2 -0.971 26.1 175.7-134.2 104.1 2.1 4.0 27.2 13 13 A V E -d 111 0B 14 97,-2.1 99,-2.8 -2,-0.4 3,-0.1 -0.962 30.4-122.5-119.4 136.3 3.5 1.8 24.4 14 14 A T > - 0 0 60 -2,-0.4 3,-1.9 97,-0.2 69,-0.3 -0.492 46.1 -91.5 -71.9 140.3 6.1 -1.0 24.6 15 15 A P T 3 S+ 0 0 69 0, 0.0 69,-0.2 0, 0.0 -1,-0.1 -0.220 114.2 28.2 -54.3 142.5 9.2 -0.4 22.3 16 16 A G T 3 S+ 0 0 42 67,-2.8 68,-0.1 1,-0.3 -2,-0.0 0.059 98.6 111.6 91.6 -24.1 8.8 -2.0 18.9 17 17 A E S < S- 0 0 108 -3,-1.9 66,-2.6 65,-0.2 -1,-0.3 -0.473 70.9-112.3 -77.6 152.5 5.0 -1.7 19.1 18 18 A P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 63,-0.2 -0.423 29.4-165.7 -80.0 164.0 3.0 0.7 16.8 19 19 A A E - B 0 80A 10 61,-2.4 61,-2.7 -2,-0.1 2,-0.4 -0.995 3.2-164.9-144.0 148.2 1.1 3.8 18.1 20 20 A S E - B 0 79A 67 -2,-0.3 2,-0.4 59,-0.2 59,-0.2 -0.987 5.1-160.3-137.0 144.5 -1.4 6.0 16.6 21 21 A I E - B 0 78A 2 57,-2.8 57,-2.9 -2,-0.4 2,-0.3 -0.995 13.6-147.2-124.9 127.1 -2.8 9.5 17.5 22 22 A S E -AB 7 77A 26 -15,-3.2 -15,-2.2 -2,-0.4 2,-0.4 -0.700 11.8-172.0 -91.5 140.9 -6.1 10.8 16.2 23 23 A a E -AB 6 76A 0 53,-2.8 53,-2.8 -2,-0.3 2,-0.5 -0.985 0.8-173.3-135.9 119.1 -6.8 14.5 15.4 24 24 A R E -AB 5 75A 138 -19,-2.7 -19,-2.7 -2,-0.4 2,-0.3 -0.970 8.9-155.2-115.4 127.7 -10.3 15.8 14.6 25 25 A S E -A 4 0A 9 49,-1.7 -21,-0.2 -2,-0.5 4,-0.1 -0.731 18.9-135.4 -99.3 149.8 -10.9 19.4 13.4 26 26 A S S S+ 0 0 74 -23,-1.6 2,-0.3 -2,-0.3 -22,-0.1 0.664 93.9 34.2 -74.6 -21.2 -14.3 21.3 13.8 27 27 A Q S S- 0 0 88 -24,-0.2 -2,-0.1 46,-0.1 2,-0.1 -0.898 102.3 -87.4-129.1 157.6 -14.0 22.6 10.2 28 28 A S - 0 0 59 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.376 26.4-166.4 -67.5 143.2 -12.6 21.0 7.0 29 29 A L + 0 0 0 44,-2.0 8,-2.8 -4,-0.1 2,-0.2 0.184 46.9 127.7-113.6 11.0 -8.9 21.5 6.4 30 30 A L B -J 36 0C 79 6,-0.2 6,-0.2 7,-0.1 5,-0.1 -0.545 48.7-147.7 -72.4 127.8 -9.1 20.2 2.8 31 31 A R > - 0 0 85 4,-3.0 3,-0.6 -2,-0.2 -1,-0.1 -0.366 24.5-111.3 -89.8 174.3 -7.6 22.7 0.3 32 32 A R T 3 S+ 0 0 118 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.787 118.6 57.8 -74.9 -29.3 -8.5 23.6 -3.3 33 33 A D T 3 S- 0 0 100 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.400 121.4-107.9 -78.8 -5.5 -5.1 21.9 -4.4 34 34 A G S < S+ 0 0 44 -3,-0.6 -3,-0.1 1,-0.3 -2,-0.1 -0.211 84.3 110.2 104.7 -40.3 -6.2 18.6 -2.8 35 35 A H - 0 0 79 -5,-0.1 -4,-3.0 1,-0.1 2,-0.4 0.006 65.7-116.3 -63.3 170.6 -3.8 18.7 0.2 36 36 A N B -J 30 0C 14 19,-0.7 2,-1.4 -6,-0.2 -6,-0.2 -0.921 8.9-132.5-116.7 140.9 -4.8 19.2 3.9 37 37 A D + 0 0 10 -8,-2.8 59,-1.9 -2,-0.4 60,-0.5 -0.456 66.1 122.7 -89.6 59.0 -3.8 22.1 6.1 38 38 A L E -E 95 0B 0 -2,-1.4 18,-2.9 57,-0.2 2,-0.3 -0.990 36.8-175.7-128.0 129.7 -2.8 19.8 9.0 39 39 A E E -E 94 0B 0 55,-3.0 55,-2.7 -2,-0.4 2,-0.4 -0.857 12.8-148.3-123.9 156.5 0.6 19.6 10.8 40 40 A W E -EF 93 53B 0 13,-2.5 12,-2.5 -2,-0.3 13,-1.3 -0.999 14.7-170.9-127.9 129.8 2.0 17.3 13.5 41 41 A Y E -EF 92 51B 1 51,-3.1 51,-2.7 -2,-0.4 2,-0.4 -0.923 12.1-152.8-120.9 145.8 4.6 18.4 16.1 42 42 A L E -EF 91 50B 3 8,-2.3 8,-2.7 -2,-0.3 2,-0.5 -0.957 5.4-165.5-111.7 134.4 6.6 16.5 18.7 43 43 A Q E -E 90 0B 21 47,-2.4 47,-2.4 -2,-0.4 3,-0.1 -0.956 12.3-158.9-122.0 105.5 7.8 18.3 21.8 44 44 A K > - 0 0 32 -2,-0.5 3,-2.1 4,-0.4 45,-0.2 -0.515 40.8 -75.0 -79.3 150.6 10.5 16.3 23.5 45 45 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 128,-0.1 -0.220 118.5 5.8 -52.5 130.8 11.1 16.9 27.2 46 46 A G T 3 S+ 0 0 85 1,-0.2 2,-0.1 -3,-0.1 -2,-0.0 0.247 114.1 97.8 81.2 -10.4 13.1 20.1 27.8 47 47 A Q S < S- 0 0 101 -3,-2.1 -1,-0.2 1,-0.1 3,-0.1 -0.444 75.8-105.9-104.0 174.4 13.0 21.1 24.0 48 48 A S - 0 0 30 1,-0.1 -4,-0.4 -2,-0.1 -6,-0.1 -0.611 57.4 -77.3 -92.3 156.0 10.9 23.4 21.8 49 49 A P - 0 0 2 0, 0.0 278,-0.4 0, 0.0 -6,-0.2 -0.216 46.9-156.6 -57.1 147.7 8.3 21.7 19.4 50 50 A Q E -F 42 0B 53 -8,-2.7 -8,-2.3 276,-0.1 276,-0.1 -0.994 19.7-111.1-127.5 133.4 9.7 20.2 16.2 51 51 A P E +F 41 0B 16 0, 0.0 -10,-0.2 0, 0.0 3,-0.1 -0.303 38.4 162.9 -61.6 143.6 7.8 19.5 12.9 52 52 A L E + 0 0 3 -12,-2.5 8,-3.2 1,-0.5 2,-0.3 0.628 67.4 14.0-119.7 -55.9 7.1 15.9 12.0 53 53 A I E -FG 40 59B 1 -13,-1.3 -13,-2.5 6,-0.3 -1,-0.5 -0.968 61.9-179.7-129.2 140.9 4.3 16.0 9.3 54 54 A Y E > + G 0 58B 60 4,-2.1 4,-2.2 -2,-0.3 3,-0.5 -0.949 66.6 27.4-138.2 154.8 3.0 18.9 7.2 55 55 A L T 4 S- 0 0 32 -2,-0.3 2,-1.2 1,-0.3 -19,-0.7 0.826 125.1 -72.7 60.5 35.7 0.2 19.2 4.6 56 56 A G T 4 S+ 0 0 2 -18,-2.9 -1,-0.3 1,-0.2 21,-0.2 -0.175 129.6 22.9 77.3 -40.9 -1.6 16.2 6.2 57 57 A S T 4 S+ 0 0 69 -2,-1.2 2,-0.7 -3,-0.5 12,-0.4 0.506 83.5 116.5-132.8 -10.7 1.0 13.6 5.0 58 58 A T E < -G 54 0B 46 -4,-2.2 -4,-2.1 10,-0.1 2,-0.3 -0.577 56.8-138.8 -77.3 114.7 4.4 15.1 4.2 59 59 A R E -G 53 0B 91 -2,-0.7 -6,-0.3 -6,-0.2 3,-0.1 -0.524 26.9-124.5 -70.9 117.4 7.2 13.8 6.5 60 60 A A > - 0 0 12 -8,-3.2 3,-2.0 -2,-0.3 2,-0.1 -0.048 41.9 -62.7 -63.1 165.8 9.5 16.8 7.5 61 61 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.2 0, 0.0 0, 0.0 -0.340 121.6 0.4 -54.9 118.4 13.3 17.0 7.0 62 62 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.446 91.1 141.3 79.5 4.1 15.1 14.3 9.0 63 63 A V < - 0 0 15 -3,-2.0 -1,-0.3 -11,-0.1 -11,-0.1 -0.674 59.6-107.5 -77.7 123.2 11.9 12.8 10.4 64 64 A P > - 0 0 52 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.124 18.4-117.9 -54.5 150.2 12.3 9.0 10.4 65 65 A D T 3 S+ 0 0 134 1,-0.3 16,-0.1 -3,-0.0 -2,-0.0 0.653 108.8 76.9 -58.5 -19.8 10.3 6.8 7.9 66 66 A R T 3 S+ 0 0 36 14,-0.1 15,-2.5 16,-0.1 2,-0.4 0.695 81.1 78.3 -68.2 -19.9 8.6 5.3 11.0 67 67 A F E < +C 80 0A 4 -3,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.781 61.4 172.5 -93.0 133.9 6.3 8.4 11.4 68 68 A S E -C 79 0A 47 11,-2.5 11,-3.2 -2,-0.4 2,-0.4 -0.984 18.6-156.8-141.7 148.9 3.3 8.7 9.0 69 69 A G E +C 78 0A 11 -12,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.983 21.2 160.1-130.3 135.5 0.4 11.1 8.6 70 70 A S E +C 77 0A 45 7,-1.8 7,-2.2 -2,-0.4 2,-0.1 -0.860 19.8 82.1-145.1 175.4 -2.9 10.3 6.9 71 71 A G E -C 76 0A 41 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.295 46.7-129.2 106.6 168.0 -6.6 11.5 6.8 72 72 A S E > -C 75 0A 64 3,-1.2 3,-1.9 -2,-0.1 2,-0.7 -0.958 61.6 -2.3-151.2 160.8 -8.6 14.2 5.1 73 73 A G T 3 S- 0 0 13 -2,-0.3 -44,-2.0 1,-0.3 -46,-0.1 -0.428 129.7 -9.9 62.9-100.1 -11.1 16.9 5.8 74 74 A T T 3 S+ 0 0 61 -2,-0.7 -49,-1.7 -46,-0.2 2,-0.4 0.314 123.9 68.8-112.7 1.8 -12.0 16.8 9.6 75 75 A D E < +BC 24 72A 67 -3,-1.9 -3,-1.2 -51,-0.2 2,-0.3 -0.983 55.7 164.8-134.6 120.5 -10.3 13.5 10.6 76 76 A F E -BC 23 71A 0 -53,-2.8 -53,-2.8 -2,-0.4 2,-0.3 -0.899 16.5-156.6-133.9 157.4 -6.5 12.9 10.7 77 77 A T E -BC 22 70A 36 -7,-2.2 -7,-1.8 -2,-0.3 2,-0.5 -0.977 9.1-155.8-142.1 128.7 -4.0 10.3 12.2 78 78 A L E -BC 21 69A 0 -57,-2.9 -57,-2.8 -2,-0.3 2,-0.4 -0.882 23.4-167.1 -95.5 125.1 -0.3 10.3 13.1 79 79 A K E -BC 20 68A 107 -11,-3.2 -11,-2.5 -2,-0.5 2,-0.5 -0.936 15.7-165.3-115.7 138.3 1.0 6.7 13.0 80 80 A I E -BC 19 67A 3 -61,-2.7 -61,-2.4 -2,-0.4 3,-0.3 -0.997 9.5-158.7-117.6 113.8 4.4 5.5 14.5 81 81 A I S S+ 0 0 99 -15,-2.5 2,-0.3 -2,-0.5 -1,-0.1 0.875 81.5 9.8 -61.6 -46.8 5.2 2.0 13.0 82 82 A R S S- 0 0 140 -64,-0.1 -1,-0.3 -16,-0.1 -65,-0.2 -0.921 82.9-137.0-141.2 108.0 7.6 0.9 15.8 83 83 A V - 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