==== 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 3QO1 . COMPND 2 MOLECULE: FAB FRAGMENT OF IMMUNOGLOBULIN G1 LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.TRAJTENBERG,A.CORREA,A.BUSCHIAZZO . 438 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 67.1 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 . 175 40.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 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-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 . 44 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 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 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 6 5 2 5 8 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 . 0 0 5 0 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 1 A D 0 0 131 0, 0.0 2,-0.4 0, 0.0 100,-0.1 0.000 360.0 360.0 360.0 159.8 18.7 -15.4 -2.1 2 2 A I - 0 0 3 98,-0.3 2,-0.4 96,-0.1 93,-0.1 -0.538 360.0-143.6 -69.2 117.3 21.9 -14.7 0.0 3 3 A V - 0 0 87 -2,-0.4 23,-1.8 99,-0.0 2,-0.5 -0.724 8.4-155.2 -88.6 131.5 21.2 -16.1 3.6 4 4 A M E -A 25 0A 9 99,-0.5 2,-0.6 -2,-0.4 101,-0.3 -0.950 7.4-166.4-110.1 123.3 22.6 -14.0 6.5 5 5 A T E -A 24 0A 65 19,-2.7 19,-2.4 -2,-0.5 2,-0.3 -0.951 4.0-162.7-115.6 112.2 23.3 -16.0 9.7 6 6 A Q E -A 23 0A 5 -2,-0.6 17,-0.2 17,-0.2 99,-0.1 -0.728 11.7-133.3 -96.3 145.5 23.9 -14.0 12.8 7 7 A S E S+A 22 0A 70 15,-2.2 15,-3.3 -2,-0.3 2,-0.1 -0.983 77.4 21.1-146.6 129.8 25.5 -15.4 16.0 8 8 A P - 0 0 48 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.727 64.8-151.9 -81.2 177.9 24.7 -15.1 18.9 9 9 A L S S+ 0 0 110 1,-0.3 99,-2.4 98,-0.1 2,-0.3 0.656 83.5 4.1 -83.7 -18.4 20.9 -14.2 18.8 10 10 A S E -d 108 0B 62 97,-0.3 2,-0.3 80,-0.0 -1,-0.3 -0.968 65.7-179.3-161.9 150.0 21.3 -12.4 22.1 11 11 A L E -d 109 0B 37 97,-2.0 99,-2.9 -2,-0.3 2,-0.5 -0.977 19.3-140.1-152.8 155.3 24.1 -11.5 24.6 12 12 A S E +d 110 0B 46 -2,-0.3 2,-0.4 97,-0.2 99,-0.2 -0.990 24.2 177.2-124.5 114.9 24.5 -9.7 27.9 13 13 A V E -d 111 0B 13 97,-2.4 99,-1.9 -2,-0.5 6,-0.1 -0.986 26.1-133.7-125.9 130.5 27.5 -7.4 28.4 14 14 A T > - 0 0 47 -2,-0.4 3,-1.8 97,-0.2 69,-0.3 -0.600 46.3 -90.7 -76.9 132.9 28.3 -5.2 31.4 15 15 A P T 3 S+ 0 0 60 0, 0.0 69,-0.2 0, 0.0 -1,-0.1 -0.206 113.6 31.1 -51.0 139.3 29.3 -1.6 30.4 16 16 A G T 3 S+ 0 0 48 67,-2.4 68,-0.1 1,-0.4 -2,-0.0 0.037 101.3 99.8 100.7 -17.6 33.1 -1.1 29.8 17 17 A E S < S- 0 0 107 -3,-1.8 66,-2.1 66,-0.1 -1,-0.4 -0.565 78.3 -99.2 -93.6 154.9 33.4 -4.8 28.6 18 18 A P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 63,-0.2 -0.416 27.4-159.4 -83.0 156.9 33.6 -5.9 24.9 19 19 A A E - B 0 80A 6 61,-2.8 61,-2.7 -2,-0.1 2,-0.4 -0.984 5.3-167.9-130.5 140.2 30.8 -7.3 22.7 20 20 A S E - B 0 79A 58 -2,-0.4 2,-0.4 59,-0.2 59,-0.2 -0.988 3.5-170.9-132.9 139.4 31.2 -9.3 19.5 21 21 A I E - B 0 78A 2 57,-2.3 57,-3.0 -2,-0.4 2,-0.3 -0.991 11.7-149.2-132.6 125.2 28.7 -10.3 16.9 22 22 A S E -AB 7 77A 45 -15,-3.3 -15,-2.2 -2,-0.4 2,-0.4 -0.693 9.2-169.8 -93.8 142.1 29.3 -12.8 14.0 23 23 A a E -AB 6 76A 0 53,-2.9 53,-3.3 -2,-0.3 2,-0.5 -0.999 3.2-164.7-132.1 126.8 27.6 -12.6 10.6 24 24 A R E -AB 5 75A 139 -19,-2.4 -19,-2.7 -2,-0.4 2,-0.3 -0.978 7.2-153.0-115.7 126.3 27.9 -15.5 8.1 25 25 A S E -A 4 0A 5 49,-3.0 -21,-0.2 -2,-0.5 4,-0.1 -0.788 12.6-147.4 -97.1 137.3 26.9 -14.9 4.4 26 26 A S S S+ 0 0 69 -23,-1.8 2,-0.3 -2,-0.3 -1,-0.1 0.646 88.6 38.7 -77.0 -14.4 25.7 -17.8 2.1 27 27 A Q S S- 0 0 72 -24,-0.2 2,-0.2 46,-0.1 -2,-0.1 -0.909 102.8 -86.2-130.9 158.1 27.4 -16.1 -0.9 28 28 A S - 0 0 59 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.499 32.5-174.4 -66.7 128.4 30.7 -14.2 -1.3 29 29 A L + 0 0 0 44,-3.1 8,-2.8 -2,-0.2 -1,-0.1 0.400 40.9 128.0-101.4 -0.0 30.2 -10.5 -0.5 30 30 A L B -J 36 0C 91 6,-0.2 6,-0.2 43,-0.1 2,-0.2 -0.377 44.9-151.9 -66.6 131.3 33.8 -9.6 -1.6 31 31 A R > - 0 0 84 4,-3.0 3,-1.7 -2,-0.1 -1,-0.1 -0.627 27.4-110.4-100.7 157.9 34.2 -6.7 -4.1 32 32 A R T 3 S+ 0 0 262 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.853 117.0 58.5 -55.3 -41.2 36.9 -5.9 -6.8 33 33 A D T 3 S- 0 0 91 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.425 121.6-103.8 -71.8 -2.3 38.1 -3.0 -4.7 34 34 A G S < S+ 0 0 49 -3,-1.7 -2,-0.1 1,-0.4 2,-0.1 0.260 89.0 106.9 96.7 -12.2 38.9 -5.2 -1.6 35 35 A H - 0 0 70 37,-0.1 -4,-3.0 -5,-0.1 -1,-0.4 -0.304 64.4-123.6 -86.5 180.0 35.8 -4.1 0.4 36 36 A N B -J 30 0C 6 19,-0.9 2,-1.7 -6,-0.2 -6,-0.2 -0.938 16.1-120.4-128.8 147.5 32.7 -6.3 1.1 37 37 A D S S+ 0 0 18 -8,-2.8 59,-1.4 -2,-0.3 60,-0.5 -0.503 74.2 120.7 -87.3 65.0 29.0 -5.7 0.4 38 38 A L E -E 95 0B 0 -2,-1.7 18,-2.9 57,-0.2 2,-0.3 -1.000 37.7-178.0-138.1 129.0 28.2 -6.0 4.1 39 39 A E E -E 94 0B 1 55,-2.7 55,-2.2 -2,-0.3 2,-0.4 -0.856 15.2-145.8-124.9 157.9 26.6 -3.5 6.5 40 40 A W E -EF 93 53B 0 13,-2.6 12,-3.0 -2,-0.3 13,-1.3 -0.992 16.0-175.7-128.8 129.7 25.7 -3.3 10.2 41 41 A Y E -EF 92 51B 2 51,-2.7 51,-2.7 -2,-0.4 2,-0.4 -0.893 11.6-152.6-119.7 152.2 22.6 -1.5 11.6 42 42 A L E -EF 91 50B 2 8,-2.1 8,-2.1 -2,-0.3 2,-0.6 -0.989 2.3-160.6-122.1 134.9 21.5 -1.0 15.2 43 43 A Q E -E 90 0B 26 47,-2.6 47,-2.5 -2,-0.4 3,-0.1 -0.951 11.1-160.0-116.0 106.8 17.8 -0.5 16.2 44 44 A K > - 0 0 29 -2,-0.6 3,-2.0 4,-0.4 45,-0.2 -0.471 43.9 -72.8 -77.5 156.1 17.5 1.1 19.6 45 45 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.265 119.1 6.6 -54.9 135.6 14.1 0.7 21.5 46 46 A G T 3 S+ 0 0 83 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.467 113.8 99.2 72.4 6.5 11.3 2.8 19.9 47 47 A Q S < S- 0 0 83 -3,-2.0 -1,-0.2 1,-0.0 3,-0.1 -0.670 75.4-103.1-119.8 170.5 13.5 3.9 16.9 48 48 A S - 0 0 10 -2,-0.2 -4,-0.4 1,-0.1 -6,-0.1 -0.570 57.0 -81.7 -80.8 159.3 14.2 3.1 13.2 49 49 A P - 0 0 4 0, 0.0 279,-0.5 0, 0.0 -6,-0.2 -0.199 48.1-153.4 -61.5 151.3 17.4 1.1 12.3 50 50 A Q E -F 42 0B 57 -8,-2.1 -8,-2.1 277,-0.1 2,-0.1 -0.992 18.1-106.8-132.5 137.6 20.6 3.3 12.1 51 51 A P E +F 41 0B 19 0, 0.0 -10,-0.2 0, 0.0 3,-0.1 -0.423 41.4 158.5 -67.9 137.6 23.8 2.7 10.1 52 52 A L E + 0 0 4 -12,-3.0 8,-2.4 1,-0.4 2,-0.3 0.711 67.2 14.0-117.0 -56.5 27.0 1.6 12.0 53 53 A I E +FG 40 59B 2 -13,-1.3 -13,-2.6 6,-0.2 -1,-0.4 -0.984 61.1 177.7-129.1 138.6 29.3 -0.1 9.4 54 54 A Y E >> + G 0 58B 57 4,-2.6 4,-2.6 -2,-0.3 3,-0.7 -0.871 67.5 28.3-133.1 163.8 29.2 -0.1 5.6 55 55 A L T 34 S- 0 0 35 -2,-0.3 -19,-0.9 1,-0.3 2,-0.5 0.751 127.1 -73.0 52.5 28.9 31.5 -1.7 2.9 56 56 A G T 34 S+ 0 0 3 -18,-2.9 -1,-0.3 -21,-0.2 -19,-0.1 -0.190 127.8 19.9 86.8 -38.3 32.4 -4.3 5.6 57 57 A S T <4 S+ 0 0 66 -3,-0.7 2,-0.5 -2,-0.5 12,-0.4 0.354 87.4 114.3-146.1 0.9 34.5 -2.1 7.8 58 58 A T E < -G 54 0B 46 -4,-2.6 -4,-2.6 10,-0.1 2,-0.2 -0.751 61.3-129.6 -87.0 124.6 33.8 1.6 7.2 59 59 A R E -G 53 0B 106 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.520 21.5-121.6 -73.5 136.3 32.2 3.5 10.1 60 60 A A > - 0 0 9 -8,-2.4 3,-2.1 -2,-0.2 -1,-0.1 -0.355 49.1 -73.4 -67.6 154.7 29.0 5.5 9.2 61 61 A S T 3 S+ 0 0 116 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 -0.240 121.7 15.7 -56.5 132.2 29.1 9.3 10.0 62 62 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.316 91.0 128.6 87.8 -8.6 28.9 10.0 13.7 63 63 A V < - 0 0 16 -3,-2.1 -1,-0.2 -11,-0.1 -4,-0.1 -0.742 56.8-126.6 -84.3 116.6 29.7 6.3 14.7 64 64 A P > - 0 0 59 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 -0.198 19.9-101.9 -68.1 162.9 32.6 6.3 17.3 65 65 A D T 3 S+ 0 0 132 1,-0.3 16,-0.1 -6,-0.0 -2,-0.0 0.664 110.3 75.7 -42.7 -42.0 35.9 4.3 17.3 66 66 A R T 3 S+ 0 0 33 14,-0.1 15,-2.8 16,-0.1 2,-0.4 0.610 86.2 72.0 -55.1 -19.7 34.6 1.7 19.7 67 67 A F E < +C 80 0A 8 -3,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.867 63.6 171.9-101.2 129.8 32.6 0.0 16.9 68 68 A S E -C 79 0A 40 11,-2.4 11,-2.9 -2,-0.4 2,-0.4 -0.994 22.2-152.7-138.7 144.4 34.4 -1.9 14.2 69 69 A G E +C 78 0A 7 -12,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.939 28.2 160.7-111.6 137.4 33.4 -4.1 11.3 70 70 A S E +C 77 0A 39 7,-2.0 7,-3.1 -2,-0.4 2,-0.1 -0.942 18.3 78.3-150.8 170.1 35.8 -6.8 10.1 71 71 A G E -C 76 0A 38 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.354 53.1-119.8 110.3 169.6 36.0 -10.1 8.2 72 72 A S E > -C 75 0A 70 3,-1.0 2,-2.1 -2,-0.1 3,-1.2 -1.000 64.0 -10.5-151.6 149.3 36.0 -10.9 4.4 73 73 A G T 3 S- 0 0 15 -2,-0.3 -44,-3.1 1,-0.2 -43,-0.1 -0.457 132.5 -8.7 69.9 -77.6 34.0 -12.8 1.7 74 74 A T T 3 S+ 0 0 57 -2,-2.1 -49,-3.0 -46,-0.2 2,-0.6 0.641 119.7 70.5-122.8 -28.1 31.6 -14.8 3.9 75 75 A D E < +BC 24 72A 68 -3,-1.2 -3,-1.0 -51,-0.2 2,-0.3 -0.906 58.3 174.6-108.6 114.1 32.6 -14.4 7.6 76 76 A F E -BC 23 71A 0 -53,-3.3 -53,-2.9 -2,-0.6 2,-0.4 -0.873 14.5-161.7-122.2 147.5 32.0 -11.0 9.4 77 77 A T E -BC 22 70A 31 -7,-3.1 -7,-2.0 -2,-0.3 2,-0.5 -0.992 7.2-159.0-131.6 132.5 32.4 -9.6 12.9 78 78 A L E -BC 21 69A 1 -57,-3.0 -57,-2.3 -2,-0.4 2,-0.4 -0.955 21.3-165.5-103.2 123.8 30.9 -6.5 14.5 79 79 A K E -BC 20 68A 78 -11,-2.9 -11,-2.4 -2,-0.5 2,-0.5 -0.945 20.3-166.9-113.5 139.3 33.0 -5.5 17.6 80 80 A I E -BC 19 67A 2 -61,-2.7 -61,-2.8 -2,-0.4 3,-0.2 -0.969 11.2-165.4-120.8 97.7 32.0 -3.1 20.4 81 81 A I S S+ 0 0 89 -15,-2.8 2,-0.4 -2,-0.5 -1,-0.1 0.817 80.3 14.8 -55.7 -42.8 35.4 -2.6 22.1 82 82 A R S S- 0 0 148 -16,-0.2 -1,-0.3 -64,-0.1 2,-0.2 -0.955 83.7-141.4-139.7 113.5 33.7 -1.0 25.2 83 83 A V - 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