==== 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 3QNY . COMPND 2 MOLECULE: FAB FRAGMENT OF IMMUNOGLOBULIN A1 LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.TRAJTENBERG,A.CORREA,A.BUSCHIAZZO . 860 7 12 10 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 533 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 333 38.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 75 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 4 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 2 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 . 11 6 9 5 12 16 0 0 4 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 2 8 2 0 2 0 0 0 0 0 0 1 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 I 0 0 35 0, 0.0 2,-0.4 0, 0.0 93,-0.1 0.000 360.0 360.0 360.0 120.3 -32.3 -32.3 -8.0 2 3 A V - 0 0 98 99,-0.1 23,-1.3 2,-0.0 2,-0.5 -0.796 360.0-153.8 -95.6 136.0 -34.8 -32.2 -10.9 3 4 A M E -A 24 0A 6 99,-0.4 2,-0.5 -2,-0.4 101,-0.3 -0.967 9.4-168.9-114.2 120.2 -37.4 -29.4 -10.9 4 5 A T E -A 23 0A 68 19,-2.4 19,-2.5 -2,-0.5 2,-0.3 -0.949 5.0-157.0-113.5 126.8 -40.8 -30.1 -12.6 5 6 A Q E -A 22 0A 10 -2,-0.5 17,-0.2 17,-0.2 3,-0.1 -0.779 11.3-131.6-102.8 147.4 -43.3 -27.3 -13.3 6 7 A S E S+A 21 0A 77 15,-2.5 15,-3.7 -2,-0.3 2,-0.2 -0.955 83.3 15.3-148.0 127.6 -47.0 -27.7 -13.8 7 8 A P - 0 0 25 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.701 68.0-160.9 -78.2 169.1 -48.7 -26.5 -16.1 8 9 A L S S+ 0 0 95 1,-0.2 99,-1.9 -2,-0.2 2,-0.3 0.578 80.5 27.8 -90.4 -9.1 -45.9 -25.4 -18.5 9 10 A S E +d 107 0B 80 97,-0.2 2,-0.3 80,-0.0 -1,-0.2 -0.987 69.4 175.5-150.5 138.0 -48.2 -23.0 -20.3 10 11 A L E -d 108 0B 3 97,-2.3 99,-2.7 -2,-0.3 2,-0.5 -0.993 19.3-153.5-150.3 141.2 -51.2 -21.1 -19.0 11 12 A S E -d 109 0B 11 -2,-0.3 437,-0.5 97,-0.2 2,-0.5 -0.956 19.6-166.0-111.8 126.4 -53.7 -18.5 -20.3 12 13 A V E -dE 110 447B 8 97,-2.8 99,-2.3 -2,-0.5 435,-0.1 -0.967 18.6-134.4-127.0 122.6 -55.3 -16.3 -17.7 13 14 A T > - 0 0 13 433,-0.5 3,-2.0 -2,-0.5 69,-0.3 -0.433 47.9 -93.4 -63.1 130.9 -58.3 -14.0 -18.2 14 15 A P T 3 S+ 0 0 62 0, 0.0 69,-0.2 0, 0.0 -1,-0.1 -0.293 112.2 23.9 -54.2 136.2 -57.4 -10.6 -16.5 15 16 A G T 3 S+ 0 0 46 67,-3.4 68,-0.1 1,-0.3 -2,-0.1 0.154 99.0 115.1 95.7 -15.1 -58.6 -10.4 -12.9 16 17 A E < - 0 0 9 -3,-2.0 66,-3.0 66,-0.3 -1,-0.3 -0.489 67.8-109.9 -82.7 156.8 -58.6 -14.2 -12.4 17 18 A P - 0 0 25 0, 0.0 2,-0.3 0, 0.0 63,-0.2 -0.362 30.9-168.1 -80.8 163.4 -56.4 -16.2 -10.1 18 19 A A E - B 0 79A 1 61,-2.3 61,-2.7 433,-0.1 2,-0.3 -0.981 4.8-164.6-145.4 151.6 -53.6 -18.5 -11.3 19 20 A S E - B 0 78A 20 -2,-0.3 2,-0.4 59,-0.2 59,-0.2 -0.970 2.7-162.6-137.8 147.9 -51.5 -21.1 -9.6 20 21 A I E - B 0 77A 0 57,-1.8 57,-3.1 -2,-0.3 2,-0.3 -0.992 13.0-146.6-132.4 130.0 -48.2 -22.8 -10.7 21 22 A S E -AB 6 76A 41 -15,-3.7 -15,-2.5 -2,-0.4 2,-0.4 -0.767 10.4-168.1 -99.6 144.6 -47.0 -26.1 -9.2 22 23 A a E -AB 5 75A 1 53,-2.6 53,-3.3 -2,-0.3 2,-0.4 -1.000 1.2-166.5-133.5 129.2 -43.4 -27.0 -8.6 23 24 A R E -AB 4 74A 26 -19,-2.5 -19,-2.4 -2,-0.4 2,-0.3 -0.979 4.0-159.0-122.5 123.1 -42.1 -30.5 -7.7 24 25 A S E -A 3 0A 9 49,-2.4 -21,-0.2 -2,-0.4 4,-0.1 -0.778 23.4-132.2 -98.2 145.1 -38.5 -31.3 -6.4 25 26 A S S S+ 0 0 82 -23,-1.3 2,-0.3 -2,-0.3 -1,-0.1 0.653 93.9 24.8 -66.2 -20.2 -36.9 -34.8 -6.6 26 27 A Q S S- 0 0 69 -24,-0.2 -1,-0.1 46,-0.2 -2,-0.0 -0.977 100.2 -76.8-145.9 157.1 -35.9 -34.3 -2.9 27 28 A S - 0 0 52 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.234 27.5-170.8 -53.7 128.8 -37.0 -32.3 0.2 28 29 A L + 0 0 0 44,-2.0 8,-2.6 -4,-0.1 -1,-0.1 0.379 45.1 129.7-102.0 1.1 -36.0 -28.6 0.2 29 30 A L B -Q 35 0C 88 6,-0.2 6,-0.2 7,-0.1 2,-0.2 -0.209 38.3-167.1 -58.1 139.9 -37.0 -28.3 3.9 30 31 A R > - 0 0 120 4,-2.2 3,-1.1 3,-0.1 -1,-0.1 -0.708 36.3 -97.7-126.8 175.4 -34.6 -26.6 6.4 31 32 A R T 3 S+ 0 0 113 1,-0.2 -2,-0.0 -2,-0.2 4,-0.0 0.807 115.9 64.0 -64.2 -34.5 -34.0 -26.2 10.2 32 33 A D T 3 S- 0 0 67 1,-0.1 2,-0.7 2,-0.0 -1,-0.2 0.205 116.9-110.3 -76.8 14.1 -35.5 -22.6 10.2 33 34 A G S < S+ 0 0 54 -3,-1.1 -1,-0.1 1,-0.3 -3,-0.1 -0.227 89.8 100.5 85.0 -41.0 -38.9 -24.2 9.2 34 35 A H - 0 0 72 -2,-0.7 -4,-2.2 -5,-0.1 2,-0.3 0.261 69.2-116.1 -61.5-175.0 -38.7 -22.6 5.7 35 36 A N B -Q 29 0C 11 19,-0.3 2,-1.6 -6,-0.2 -6,-0.2 -0.953 15.6-119.5-133.0 152.5 -37.6 -24.2 2.4 36 37 A D S S+ 0 0 27 -8,-2.6 59,-1.2 -2,-0.3 60,-0.5 -0.521 74.1 119.3 -89.4 64.6 -34.7 -23.7 -0.1 37 38 A L E -F 94 0B 0 -2,-1.6 18,-2.4 57,-0.2 2,-0.3 -0.997 39.5-173.5-139.4 128.8 -37.1 -22.8 -3.0 38 39 A E E -F 93 0B 17 55,-3.2 55,-2.6 -2,-0.4 2,-0.4 -0.817 11.3-150.6-119.3 160.4 -37.4 -19.6 -5.0 39 40 A W E -FG 92 52B 0 13,-2.0 12,-2.4 -2,-0.3 13,-1.4 -0.996 15.5-175.1-132.6 135.6 -39.7 -18.3 -7.7 40 41 A Y E -FG 91 50B 7 51,-2.5 51,-2.3 -2,-0.4 2,-0.4 -0.926 16.7-149.5-129.6 152.9 -38.8 -15.9 -10.5 41 42 A L E -FG 90 49B 5 8,-2.3 8,-2.8 -2,-0.3 2,-0.4 -0.995 16.4-173.5-120.3 129.5 -40.6 -14.0 -13.2 42 43 A Q E -F 89 0B 13 47,-2.4 47,-2.9 -2,-0.4 5,-0.1 -0.992 8.3-156.4-125.7 126.6 -38.8 -13.3 -16.4 43 44 A K - 0 0 33 -2,-0.4 3,-0.3 4,-0.4 45,-0.1 -0.640 44.2 -76.9 -96.6 152.2 -40.2 -11.2 -19.2 44 45 A P S S+ 0 0 82 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.262 118.8 1.8 -53.2 130.8 -39.0 -11.6 -22.9 45 46 A G S S+ 0 0 79 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.311 114.6 104.1 87.5 -47.7 -35.6 -9.9 -23.3 46 47 A Q S S- 0 0 101 -2,-1.1 -1,-0.2 -3,-0.3 3,-0.1 0.003 76.8-106.5 -62.0 162.8 -35.5 -9.0 -19.6 47 48 A S - 0 0 35 1,-0.1 -4,-0.4 274,-0.1 -1,-0.1 -0.623 47.9 -87.7 -86.8 150.3 -33.5 -10.6 -16.8 48 49 A P - 0 0 2 0, 0.0 -6,-0.3 0, 0.0 273,-0.1 -0.289 42.6-153.7 -60.2 144.4 -35.3 -12.9 -14.2 49 50 A Q E -G 41 0B 77 -8,-2.8 -8,-2.3 271,-0.1 2,-0.1 -0.968 18.2-113.1-120.3 136.2 -36.7 -11.0 -11.2 50 51 A P E +G 40 0B 34 0, 0.0 -10,-0.2 0, 0.0 3,-0.1 -0.393 37.2 164.2 -69.0 147.4 -37.3 -12.6 -7.7 51 52 A L E + 0 0 2 -12,-2.4 8,-2.8 1,-0.4 2,-0.3 0.588 68.2 18.8-122.9 -46.3 -40.9 -12.9 -6.5 52 53 A I E +GH 39 58B 1 -13,-1.4 -13,-2.0 6,-0.3 -1,-0.4 -0.987 56.8 177.9-134.6 141.0 -40.5 -15.4 -3.6 53 54 A Y E > S+ H 0 57B 62 4,-3.1 4,-2.7 -2,-0.3 3,-0.3 -0.862 70.7 29.2-132.1 161.5 -37.6 -16.7 -1.4 54 55 A L T 4 S- 0 0 24 -2,-0.3 2,-2.1 1,-0.2 -19,-0.3 0.830 122.1 -80.0 52.4 38.7 -37.6 -19.2 1.5 55 56 A G T 4 S+ 0 0 1 -18,-2.4 -1,-0.2 1,-0.2 21,-0.2 -0.198 128.4 30.0 70.7 -44.5 -40.6 -20.9 -0.1 56 57 A S T 4 S+ 0 0 68 -2,-2.1 2,-0.6 -3,-0.3 12,-0.3 0.255 89.0 109.6-129.3 8.0 -43.2 -18.4 1.2 57 58 A T E < -H 53 0B 49 -4,-2.7 -4,-3.1 10,-0.1 2,-0.3 -0.850 60.8-135.2-102.3 119.4 -41.4 -15.0 1.5 58 59 A R E -H 52 0B 98 -2,-0.6 -6,-0.3 -6,-0.2 3,-0.1 -0.484 24.1-127.1 -70.9 123.7 -42.3 -12.3 -1.0 59 60 A A > - 0 0 12 -8,-2.8 3,-1.5 -2,-0.3 -1,-0.1 -0.010 45.8 -56.0 -66.9 171.7 -39.3 -10.4 -2.5 60 61 A S T 3 S- 0 0 103 1,-0.3 -1,-0.2 0, 0.0 0, 0.0 -0.308 119.2 -3.8 -60.4 127.3 -38.8 -6.6 -2.6 61 62 A G T 3 S+ 0 0 86 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.604 91.0 143.4 65.6 19.9 -41.5 -4.5 -4.2 62 63 A V < - 0 0 17 -3,-1.5 -1,-0.2 -11,-0.1 -4,-0.1 -0.774 56.3-108.3 -88.9 126.8 -43.6 -7.6 -5.3 63 64 A P > - 0 0 46 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.177 20.9-117.8 -54.7 149.2 -47.4 -7.1 -5.0 64 65 A D T 3 S+ 0 0 77 1,-0.3 -2,-0.0 -6,-0.0 -6,-0.0 0.552 107.0 82.9 -63.6 -6.4 -49.3 -8.9 -2.2 65 66 A R T 3 S+ 0 0 37 16,-0.1 15,-2.0 14,-0.1 2,-0.4 0.711 79.0 80.2 -68.0 -24.2 -51.2 -10.7 -5.1 66 67 A F E < +C 79 0A 5 -3,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.755 61.2 174.8 -91.5 131.5 -48.2 -13.1 -5.2 67 68 A S E -C 78 0A 37 11,-2.4 11,-3.2 -2,-0.4 2,-0.4 -0.999 18.6-154.4-139.1 140.0 -47.9 -16.0 -2.7 68 69 A G E +C 77 0A 11 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.911 24.8 161.3-113.0 139.2 -45.6 -18.9 -2.2 69 70 A S E +C 76 0A 43 7,-1.9 7,-2.6 -2,-0.4 2,-0.2 -0.952 19.2 73.4-150.1 167.8 -46.7 -22.1 -0.4 70 71 A G E -C 75 0A 41 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.432 50.0-122.7 111.7 172.1 -45.7 -25.8 0.0 71 72 A S E > -C 74 0A 60 3,-1.2 2,-1.4 -2,-0.2 3,-1.1 -0.984 64.5 -13.9-154.5 148.6 -43.1 -27.8 1.9 72 73 A G T 3 S- 0 0 9 -2,-0.3 -44,-2.0 1,-0.2 -46,-0.2 -0.469 130.4 -4.9 66.3 -87.7 -40.4 -30.4 1.1 73 74 A T T 3 S+ 0 0 63 -2,-1.4 -49,-2.4 -46,-0.2 2,-0.6 0.753 121.1 63.4-108.0 -40.0 -41.2 -31.6 -2.5 74 75 A D E < +BC 23 71A 96 -3,-1.1 -3,-1.2 -51,-0.2 2,-0.3 -0.879 59.7 172.3-104.3 116.2 -44.5 -30.0 -3.6 75 76 A F E -BC 22 70A 0 -53,-3.3 -53,-2.6 -2,-0.6 2,-0.4 -0.790 13.8-159.0-119.2 154.0 -44.6 -26.1 -4.0 76 77 A T E -BC 21 69A 36 -7,-2.6 -7,-1.9 -2,-0.3 2,-0.5 -0.998 7.9-155.5-139.1 133.4 -47.3 -23.7 -5.4 77 78 A L E -BC 20 68A 0 -57,-3.1 -57,-1.8 -2,-0.4 2,-0.4 -0.938 21.0-161.3-104.6 125.3 -47.0 -20.1 -6.6 78 79 A K E -BC 19 67A 103 -11,-3.2 -11,-2.4 -2,-0.5 2,-0.5 -0.916 14.4-168.3-113.2 138.2 -50.3 -18.2 -6.4 79 80 A I E -BC 18 66A 2 -61,-2.7 -61,-2.3 -2,-0.4 3,-0.3 -0.999 8.0-161.1-123.3 115.4 -51.4 -15.1 -8.2 80 81 A I S S+ 0 0 110 -15,-2.0 2,-0.4 -2,-0.5 -1,-0.1 0.888 80.3 6.3 -61.8 -53.9 -54.7 -13.6 -6.7 81 82 A R S S- 0 0 31 -64,-0.1 -1,-0.3 -63,-0.0 2,-0.2 -0.870 80.7-134.8-143.5 98.9 -55.7 -11.4 -9.6 82 83 A V - 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