==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNOGLOBULIN 20-OCT-92 1FVC . COMPND 2 MOLECULE: IGG1-KAPPA 4D5 FV (LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.EIGENBROT,M.RANDAL,A.A.KOSSIAKOFF,L.PRESTA . 457 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 178 38.9 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 . 4 0.9 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 . 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 . 38 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 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 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 0 0 PARALLEL BRIDGES PER LADDER . 1 6 5 4 2 13 1 0 0 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 . 1 0 3 1 1 3 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 0 125 0, 0.0 2,-0.4 0, 0.0 93,-0.1 0.000 360.0 360.0 360.0 50.1 32.1 40.5 22.2 2 2 A I - 0 0 3 93,-0.4 2,-0.3 91,-0.1 88,-0.2 -0.732 360.0-121.4 -85.9 133.5 33.7 40.3 18.9 3 3 A Q - 0 0 82 -2,-0.4 23,-2.2 94,-0.0 2,-0.5 -0.721 14.3-150.5 -94.6 147.2 31.0 39.7 16.3 4 4 A M E -A 25 0A 0 94,-0.5 2,-0.7 -2,-0.3 96,-0.3 -0.983 10.4-157.4-106.6 115.7 31.0 36.7 14.1 5 5 A T E -A 24 0A 72 19,-2.5 19,-1.8 -2,-0.5 2,-0.5 -0.895 11.6-157.2-102.2 111.0 29.3 37.5 10.7 6 6 A Q E -A 23 0A 8 -2,-0.7 17,-0.2 17,-0.2 94,-0.1 -0.790 6.1-136.5-100.7 125.1 28.0 34.3 9.1 7 7 A S E S+A 22 0A 66 15,-2.3 15,-2.7 -2,-0.5 95,-0.1 -0.983 71.7 32.6-119.1 133.1 27.3 33.9 5.4 8 8 A P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.506 55.6-155.6 -94.6 176.5 25.0 32.6 4.1 9 9 A S S S- 0 0 101 1,-0.3 94,-1.8 93,-0.2 2,-0.3 0.966 83.2 -19.6 -67.5 -46.0 21.6 32.9 5.8 10 10 A S E -d 103 0B 65 92,-0.3 2,-0.3 75,-0.0 -1,-0.3 -0.952 61.7-166.8-150.9 166.1 20.5 29.7 4.1 11 11 A L E -d 104 0B 33 92,-1.9 94,-2.9 -2,-0.3 2,-0.4 -0.979 13.3-141.4-152.6 156.4 21.3 27.6 1.1 12 12 A S E +d 105 0B 72 -2,-0.3 2,-0.3 92,-0.2 94,-0.3 -0.960 35.4 142.9-117.1 137.8 19.7 24.8 -0.9 13 13 A A E -d 106 0B 2 92,-2.3 94,-2.2 -2,-0.4 2,-0.3 -0.887 36.8-106.8-157.5-175.3 21.7 22.0 -2.2 14 14 A S > - 0 0 34 -2,-0.3 3,-2.3 92,-0.2 64,-0.3 -0.809 42.1 -76.3-122.3 167.7 21.5 18.2 -2.8 15 15 A V T 3 S+ 0 0 30 -2,-0.3 64,-0.2 1,-0.3 3,-0.1 -0.432 121.8 27.5 -56.7 124.3 22.8 15.0 -1.4 16 16 A G T 3 S+ 0 0 41 62,-2.3 -1,-0.3 1,-0.3 63,-0.1 0.098 92.2 128.2 107.9 -18.9 26.3 14.8 -2.8 17 17 A D < - 0 0 65 -3,-2.3 61,-2.6 60,-0.2 2,-0.4 -0.326 57.1-126.6 -69.8 151.7 27.0 18.5 -3.1 18 18 A R - 0 0 171 59,-0.2 2,-0.3 -3,-0.1 58,-0.2 -0.769 31.7-170.3 -94.0 142.1 30.0 20.3 -1.6 19 19 A V E - B 0 75A 13 56,-2.5 56,-2.3 -2,-0.4 2,-0.4 -0.978 14.5-160.2-142.7 148.6 29.1 23.2 0.6 20 20 A T E - B 0 74A 66 -2,-0.3 2,-0.3 54,-0.2 54,-0.2 -0.980 4.0-170.9-133.3 116.4 31.0 26.1 2.2 21 21 A I E - B 0 73A 0 52,-2.6 52,-2.5 -2,-0.4 2,-0.4 -0.812 14.4-155.9-101.7 147.4 29.8 28.2 5.2 22 22 A T E -AB 7 72A 40 -15,-2.7 -15,-2.3 -2,-0.3 2,-0.4 -0.970 14.0-172.8-129.1 147.9 31.8 31.3 6.2 23 23 A a E -AB 6 71A 1 48,-2.3 48,-2.7 -2,-0.4 2,-0.5 -1.000 10.3-156.0-131.4 132.1 32.2 33.4 9.4 24 24 A R E -AB 5 70A 133 -19,-1.8 -19,-2.5 -2,-0.4 2,-0.4 -0.950 11.4-143.5-110.0 126.2 34.1 36.7 9.6 25 25 A A E -A 4 0A 1 44,-2.9 -21,-0.2 -2,-0.5 44,-0.1 -0.698 8.8-142.7 -83.3 133.2 35.5 37.7 13.1 26 26 A S S S+ 0 0 82 -23,-2.2 2,-0.3 -2,-0.4 -1,-0.1 0.562 86.6 17.2 -69.8 -8.8 35.3 41.5 13.6 27 27 A Q S S- 0 0 113 -24,-0.2 2,-0.3 42,-0.1 -25,-0.0 -0.903 107.6 -69.6-151.2 167.3 38.7 41.4 15.4 28 28 A D + 0 0 87 -2,-0.3 3,-0.1 1,-0.2 41,-0.1 -0.566 46.3 170.0 -76.5 130.5 41.6 38.9 15.5 29 29 A V > - 0 0 1 1,-0.4 3,-2.2 -2,-0.3 2,-0.3 0.165 33.5-141.8-123.5 2.9 40.4 35.9 17.5 30 30 A N T 3 - 0 0 86 1,-0.3 -1,-0.4 2,-0.1 62,-0.0 -0.488 65.2 -37.1 67.7-121.6 43.4 33.8 16.6 31 31 A T T 3 S+ 0 0 55 -2,-0.3 2,-1.9 -3,-0.1 -1,-0.3 0.056 100.4 124.2-114.2 14.8 42.3 30.2 16.0 32 32 A A < + 0 0 14 -3,-2.2 59,-2.2 18,-0.2 60,-0.6 -0.392 39.9 119.0 -87.3 67.4 39.6 30.3 18.9 33 33 A V E -E 90 0B 0 -2,-1.9 18,-3.0 57,-0.2 2,-0.3 -0.992 38.9-172.7-134.5 134.1 36.6 29.3 16.7 34 34 A A E -E 89 0B 0 55,-1.8 55,-1.6 -2,-0.4 2,-0.4 -0.875 14.0-143.1-125.4 157.5 34.3 26.3 17.0 35 35 A W E -EF 88 48B 0 13,-2.1 12,-2.5 -2,-0.3 13,-1.4 -0.989 17.3-169.9-123.3 129.4 31.6 25.2 14.6 36 36 A Y E -EF 87 46B 0 51,-2.8 51,-2.7 -2,-0.4 2,-0.3 -0.902 10.2-151.2-116.3 146.7 28.3 23.6 15.9 37 37 A Q E -EF 86 45B 6 8,-2.2 8,-1.6 -2,-0.3 2,-0.3 -0.832 13.8-172.5-107.9 154.9 25.5 21.8 14.1 38 38 A Q E -E 85 0B 16 47,-2.1 47,-2.5 -2,-0.3 5,-0.1 -0.931 10.4-160.1-149.5 128.6 21.9 21.9 15.4 39 39 A K > - 0 0 57 4,-0.4 3,-2.0 -2,-0.3 45,-0.1 -0.735 49.7 -71.5-100.6 154.0 18.9 20.0 14.2 40 40 A P T 3 S+ 0 0 113 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.222 116.9 4.8 -64.3 131.7 15.4 21.3 15.2 41 41 A G T 3 S+ 0 0 78 1,-0.3 2,-0.2 -3,-0.0 -3,-0.0 0.323 114.3 103.4 79.9 -4.5 14.3 20.9 18.8 42 42 A K S < S- 0 0 132 -3,-2.0 -1,-0.3 1,-0.1 3,-0.1 -0.601 74.3-102.2-108.6 169.4 17.8 19.6 19.7 43 43 A A - 0 0 26 -2,-0.2 -4,-0.4 1,-0.1 -1,-0.1 -0.501 45.7 -90.0 -86.3 156.4 20.9 20.9 21.3 44 44 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.020 37.5-149.8 -56.6 163.8 24.0 22.1 19.4 45 45 A K E -F 37 0B 91 -8,-1.6 -8,-2.2 -3,-0.1 2,-0.3 -0.984 17.0-117.8-140.5 128.9 26.7 19.6 18.7 46 46 A L E +F 36 0B 5 -2,-0.4 -10,-0.2 172,-0.3 3,-0.1 -0.511 39.4 161.1 -70.7 132.2 30.4 20.3 18.5 47 47 A L E + 0 0 0 -12,-2.5 8,-2.2 1,-0.4 2,-0.3 0.753 63.2 17.7-109.5 -55.9 31.8 19.6 15.1 48 48 A I E -FG 35 54B 1 -13,-1.4 -13,-2.1 6,-0.2 -1,-0.4 -0.971 60.9-174.9-128.0 136.1 35.1 21.5 14.8 49 49 A Y E >> + G 0 53B 63 4,-2.3 4,-2.4 -2,-0.3 3,-1.0 -0.916 68.9 27.5-127.3 162.2 37.3 23.2 17.5 50 50 A S T 34 S- 0 0 34 -2,-0.3 2,-0.8 1,-0.3 -18,-0.2 0.895 124.5 -76.9 46.0 47.5 40.4 25.3 17.2 51 51 A A T 34 S+ 0 0 2 -18,-3.0 -1,-0.3 -3,-0.2 21,-0.2 0.138 127.5 29.7 54.8 -13.6 39.2 26.4 13.9 52 52 A S T <4 S+ 0 0 64 -3,-1.0 2,-0.4 -2,-0.8 -2,-0.2 0.315 85.1 105.9-157.1 17.9 40.2 23.1 12.1 53 53 A F E < -G 49 0B 109 -4,-2.4 -4,-2.3 10,-0.1 2,-0.3 -0.921 61.6-128.1-110.0 135.9 40.2 20.1 14.3 54 54 A L E -G 48 0B 67 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.629 22.3-132.8 -79.2 132.9 37.6 17.4 14.1 55 55 A Y > - 0 0 47 -8,-2.2 3,-1.5 -2,-0.3 -1,-0.1 -0.239 46.7 -70.5 -75.9 163.7 35.9 16.5 17.5 56 56 A S T 3 S+ 0 0 103 1,-0.3 -1,-0.2 -2,-0.0 0, 0.0 -0.344 116.2 7.6 -63.2 143.3 35.7 12.8 18.2 57 57 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.286 89.4 135.2 73.9 -13.1 33.2 10.9 16.2 58 58 A V < - 0 0 15 -3,-1.5 -1,-0.2 -11,-0.2 -4,-0.1 -0.472 65.7 -95.3 -79.2 139.9 32.4 13.7 13.7 59 59 A P > - 0 0 39 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.307 24.4-128.0 -55.7 131.6 32.2 12.6 10.0 60 60 A S T 3 S+ 0 0 112 1,-0.3 -2,-0.1 -3,-0.1 -6,-0.0 0.453 98.5 81.8 -59.7 -3.7 35.4 13.2 8.1 61 61 A R T 3 S+ 0 0 49 14,-0.1 15,-2.5 16,-0.1 2,-0.3 0.647 80.8 84.8 -75.8 -5.0 33.5 15.0 5.3 62 62 A F E < +C 75 0A 5 -3,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.737 54.7 164.8 -95.7 136.9 33.6 18.1 7.6 63 63 A S E -C 74 0A 57 11,-1.9 11,-2.7 -2,-0.3 2,-0.3 -0.983 20.3-153.0-151.0 150.1 36.6 20.5 7.7 64 64 A G E +C 73 0A 7 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.842 15.0 176.8-116.4 155.1 37.4 23.9 9.0 65 65 A S E -C 72 0A 66 7,-1.5 7,-2.7 -2,-0.3 2,-0.4 -0.968 11.8-151.0-150.3 157.4 40.0 26.4 7.7 66 66 A R E +C 71 0A 93 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.993 15.6 177.2-137.6 148.8 41.1 29.9 8.5 67 67 A S E > -C 70 0A 94 3,-2.6 3,-1.8 -2,-0.4 2,-0.2 -0.820 68.8 -57.0-146.1 98.3 42.6 32.7 6.7 68 68 A G T 3 S- 0 0 40 -2,-0.3 -39,-0.2 1,-0.3 -1,-0.1 -0.417 122.0 -10.9 71.4-129.0 42.9 35.8 8.9 69 69 A T T 3 S+ 0 0 41 -2,-0.2 -44,-2.9 -3,-0.1 2,-0.5 0.575 120.3 95.3 -81.2 -9.8 39.7 36.9 10.4 70 70 A D E < -BC 24 67A 33 -3,-1.8 -3,-2.6 -46,-0.2 2,-0.4 -0.770 51.1-174.7 -94.5 123.3 37.8 34.5 8.0 71 71 A F E -BC 23 66A 0 -48,-2.7 -48,-2.3 -2,-0.5 2,-0.4 -0.931 7.4-166.9-118.0 133.9 36.8 31.0 9.1 72 72 A T E -BC 22 65A 38 -7,-2.7 -7,-1.5 -2,-0.4 2,-0.5 -0.921 12.5-159.2-127.5 139.5 35.2 28.5 6.7 73 73 A L E -BC 21 64A 0 -52,-2.5 -52,-2.6 -2,-0.4 2,-0.4 -0.975 14.0-171.2-112.7 127.7 33.4 25.2 7.1 74 74 A T E -BC 20 63A 13 -11,-2.7 -11,-1.9 -2,-0.5 2,-0.5 -0.907 13.3-164.8-114.0 149.5 33.3 22.9 4.1 75 75 A I E -BC 19 62A 0 -56,-2.3 -56,-2.5 -2,-0.4 3,-0.3 -0.990 13.2-158.1-124.7 117.3 31.2 19.7 3.9 76 76 A S S S+ 0 0 54 -15,-2.5 2,-0.2 -2,-0.5 -14,-0.1 0.724 75.3 9.8 -78.2 -18.6 32.6 17.9 1.0 77 77 A S S S- 0 0 45 -16,-0.1 -1,-0.3 -59,-0.1 -59,-0.2 -0.645 84.5-130.9-168.2 94.6 29.6 15.6 0.0 78 78 A L - 0 0 0 -61,-2.6 -62,-2.3 -3,-0.3 -61,-0.1 -0.169 21.4-163.0 -55.3 129.5 26.4 16.3 1.8 79 79 A Q > - 0 0 56 -64,-0.2 3,-1.8 -63,-0.1 4,-0.2 -0.746 34.4-101.5-112.2 164.3 24.7 13.5 3.3 80 80 A P G > S+ 0 0 4 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.862 120.1 55.0 -52.2 -42.8 21.1 13.3 4.4 81 81 A E G 3 S+ 0 0 84 1,-0.3 231,-0.1 231,-0.0 -3,-0.0 0.606 94.3 72.3 -75.4 -4.4 21.9 13.8 8.1 82 82 A D G < + 0 0 3 -3,-1.8 2,-1.1 229,-0.0 -1,-0.3 0.504 65.0 104.3 -86.8 -3.6 23.8 17.0 7.3 83 83 A F < + 0 0 20 -3,-1.3 2,-0.3 -4,-0.2 22,-0.1 -0.696 57.1 98.4 -86.7 107.1 20.7 19.1 6.5 84 84 A A S S- 0 0 0 -2,-1.1 20,-2.1 20,-0.4 2,-0.3 -0.893 80.4 -75.3-167.0-178.7 20.6 21.1 9.7 85 85 A T E -EH 38 103B 25 -47,-2.5 -47,-2.1 -2,-0.3 2,-0.4 -0.794 40.7-151.8 -96.6 144.0 21.7 24.6 10.8 86 86 A Y E -EH 37 102B 0 16,-1.7 16,-1.1 -2,-0.3 2,-0.4 -0.943 9.4-169.1-119.3 135.1 25.4 25.4 11.4 87 87 A Y E -E 36 0B 14 -51,-2.7 -51,-2.8 -2,-0.4 2,-0.2 -0.971 10.6-150.8-122.6 141.3 26.8 28.1 13.8 88 88 A a E -E 35 0B 0 -2,-0.4 11,-1.8 -53,-0.2 2,-0.3 -0.616 17.3-169.5 -97.2 162.3 30.3 29.4 14.2 89 89 A Q E -EI 34 98B 0 -55,-1.6 -55,-1.8 9,-0.2 2,-0.4 -0.975 13.9-152.5-144.2 141.7 31.4 30.7 17.7 90 90 A Q E +EI 33 97B 0 7,-2.6 7,-1.2 -2,-0.3 -57,-0.2 -0.935 14.0 175.3-108.2 146.8 34.5 32.6 18.8 91 91 A H + 0 0 24 -59,-2.2 -58,-0.1 -2,-0.4 -1,-0.1 0.206 45.4 112.7-135.5 17.9 35.7 32.1 22.5 92 92 A Y S S+ 0 0 124 -60,-0.6 2,-0.3 -63,-0.1 -59,-0.1 0.832 89.2 7.7 -53.0 -42.2 38.8 34.1 22.5 93 93 A T S S- 0 0 67 2,-0.2 -91,-0.1 -91,-0.1 4,-0.1 -0.812 99.9 -57.9-128.8 178.5 37.2 36.6 25.0 94 94 A T S S+ 0 0 35 -2,-0.3 -3,-0.1 1,-0.1 3,-0.0 -0.825 111.9 44.0 -96.0 134.3 34.0 37.0 27.1 95 95 A P S S- 0 0 21 0, 0.0 -93,-0.4 0, 0.0 -2,-0.2 0.609 82.9-144.8 -73.6 143.7 31.2 36.9 25.9 96 96 A P - 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