==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-NOV-02 1N8Z . COMPND 2 MOLECULE: HERCEPTIN FAB (ANTIBODY) - LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.-S.CHO,K.MASON,K.X.RAMYAR,A.M.STANLEY,S.B.GABELLI,D.W.DENN . 1015 7 27 25 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 609 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 232 22.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 90 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 3 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 6 5 4 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 PARALLEL BRIDGES PER LADDER . 16 6 10 4 7 8 0 0 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 . 2 3 5 2 4 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 0 112 0, 0.0 2,-0.1 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 110.4 34.8 87.5 89.0 2 2 A I - 0 0 4 93,-0.2 2,-0.3 24,-0.1 88,-0.1 -0.326 360.0-159.6 -72.9 128.4 38.3 86.4 88.0 3 3 A Q - 0 0 114 -2,-0.1 23,-2.5 2,-0.0 2,-0.5 -0.773 4.0-154.7-103.1 146.3 38.4 83.4 85.7 4 4 A M E -A 25 0A 11 94,-0.4 2,-0.8 -2,-0.3 96,-0.4 -0.963 5.8-156.8-125.5 109.7 41.5 81.3 85.3 5 5 A T E -A 24 0A 89 19,-2.9 19,-2.4 -2,-0.5 2,-0.5 -0.783 12.7-162.1 -96.7 114.0 41.8 79.5 82.0 6 6 A Q E -A 23 0A 4 -2,-0.8 17,-0.2 17,-0.2 94,-0.1 -0.771 12.4-132.2-100.9 127.1 44.0 76.5 82.3 7 7 A S E +A 22 0A 63 15,-1.7 15,-2.4 -2,-0.5 2,-0.1 -0.982 69.2 21.0-137.0 155.3 45.5 74.7 79.4 8 8 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.709 62.3-150.0 -83.9 172.1 46.0 72.2 78.2 9 9 A S S S+ 0 0 82 1,-0.2 94,-2.3 93,-0.2 2,-0.3 0.782 82.7 4.3 -74.2 -25.2 43.3 70.1 79.8 10 10 A S E -d 103 0B 59 92,-0.3 2,-0.3 75,-0.0 -1,-0.2 -0.984 66.8-173.2-155.5 150.1 45.5 67.1 79.6 11 11 A L E -d 104 0B 28 92,-3.1 94,-3.3 -2,-0.3 2,-0.5 -0.985 16.4-143.4-143.1 153.5 49.0 66.2 78.5 12 12 A S E +d 105 0B 48 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.971 30.7 158.4-113.8 124.5 51.2 63.2 77.9 13 13 A A E -d 106 0B 6 92,-2.4 94,-2.8 -2,-0.5 2,-0.3 -0.955 29.7-127.0-134.9 163.0 54.9 63.4 78.7 14 14 A S > - 0 0 43 -2,-0.3 3,-2.4 92,-0.2 64,-0.3 -0.722 42.0 -75.8-103.2 164.4 57.6 60.9 79.5 15 15 A V T 3 S+ 0 0 80 92,-0.5 64,-0.2 1,-0.3 -1,-0.1 -0.232 120.9 29.2 -50.8 136.0 60.1 60.5 82.5 16 16 A G T 3 S+ 0 0 48 62,-2.9 -1,-0.3 1,-0.3 63,-0.1 0.161 94.7 134.1 95.5 -17.9 62.8 63.1 82.1 17 17 A D < - 0 0 77 -3,-2.4 61,-2.6 61,-0.2 2,-0.7 -0.081 58.4-128.7 -69.5 163.1 60.6 65.5 80.3 18 18 A R - 0 0 173 59,-0.2 2,-0.3 -3,-0.1 58,-0.2 -0.933 33.1-166.5-111.1 106.8 60.1 69.3 80.9 19 19 A V E - B 0 75A 8 56,-2.8 56,-2.1 -2,-0.7 2,-0.4 -0.795 6.4-161.2-104.4 146.6 56.4 69.8 81.2 20 20 A T E - B 0 74A 62 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.964 6.1-173.1-127.7 132.4 54.6 73.2 81.1 21 21 A I E - B 0 73A 1 52,-2.6 52,-2.4 -2,-0.4 2,-0.2 -0.985 12.1-162.6-130.4 125.0 51.1 74.0 82.3 22 22 A T E -AB 7 72A 32 -15,-2.4 -15,-1.7 -2,-0.4 2,-0.3 -0.630 12.1-178.3-106.0 165.2 49.6 77.4 81.6 23 23 A a E -AB 6 71A 0 48,-1.0 48,-2.5 -17,-0.2 2,-0.4 -0.853 12.3-153.4-162.8 120.2 46.8 79.4 83.0 24 24 A R E -AB 5 70A 142 -19,-2.4 -19,-2.9 -2,-0.3 2,-0.3 -0.805 11.8-139.4 -99.2 136.8 45.6 82.8 82.0 25 25 A A E -A 4 0A 5 44,-2.3 -21,-0.2 -2,-0.4 44,-0.1 -0.740 11.4-136.8 -93.0 144.4 43.8 85.1 84.3 26 26 A S S S+ 0 0 55 -23,-2.5 2,-0.3 -2,-0.3 -1,-0.1 0.812 87.7 6.9 -70.1 -30.7 40.8 87.0 82.9 27 27 A Q S S- 0 0 96 -24,-0.3 -1,-0.1 42,-0.1 2,-0.1 -0.901 108.0 -53.1-141.4 174.2 42.0 90.1 84.6 28 28 A D + 0 0 64 -2,-0.3 3,-0.1 1,-0.1 41,-0.1 -0.264 46.4 166.2 -57.6 131.0 45.0 91.3 86.6 29 29 A V > - 0 0 1 1,-0.3 3,-1.7 -4,-0.1 62,-0.2 0.126 28.9-150.7-132.0 8.1 45.8 89.1 89.5 30 30 A N T 3 - 0 0 1 1,-0.3 -1,-0.3 2,-0.1 62,-0.0 -0.327 67.5 -39.3 50.4-114.0 49.3 90.5 90.3 31 31 A T T 3 S+ 0 0 22 984,-0.1 2,-3.3 -2,-0.1 -1,-0.3 0.332 101.2 122.1-125.6 -1.0 51.1 87.5 91.8 32 32 A A < + 0 0 2 -3,-1.7 59,-3.2 18,-0.2 60,-0.5 -0.194 44.2 120.8 -66.6 56.7 48.2 86.1 93.8 33 33 A V E -E 90 0B 0 -2,-3.3 18,-3.0 57,-0.2 2,-0.3 -0.970 39.4-171.2-131.7 138.8 48.4 82.7 92.1 34 34 A A E -E 89 0B 0 55,-2.8 55,-1.8 -2,-0.4 2,-0.4 -0.908 12.4-142.7-127.8 153.5 48.9 79.3 93.6 35 35 A W E -EF 88 48B 0 13,-2.9 12,-3.5 -2,-0.3 13,-1.6 -0.977 16.5-171.1-123.4 131.8 49.5 75.8 92.1 36 36 A Y E -EF 87 46B 0 51,-2.7 51,-1.6 -2,-0.4 2,-0.5 -0.783 13.7-147.3-115.0 151.3 48.1 72.5 93.5 37 37 A Q E -EF 86 45B 19 8,-3.3 8,-2.2 -2,-0.3 2,-0.5 -0.972 13.4-169.7-118.1 121.7 48.7 68.8 92.7 38 38 A Q E -E 85 0B 13 47,-3.9 47,-3.0 -2,-0.5 5,-0.1 -0.962 3.3-166.2-112.4 128.3 45.9 66.3 93.1 39 39 A K > - 0 0 61 -2,-0.5 3,-1.5 4,-0.4 45,-0.1 -0.777 47.3 -63.0-106.7 147.2 46.5 62.6 92.9 40 40 A P T 3 S- 0 0 58 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.039 120.8 -7.9 -30.2 121.1 43.9 59.9 92.5 41 41 A G T 3 S+ 0 0 76 1,-0.2 2,-0.3 -3,-0.1 -3,-0.0 0.844 112.9 113.0 50.6 43.4 41.6 60.0 95.5 42 42 A K S < S- 0 0 126 -3,-1.5 -1,-0.2 3,-0.0 285,-0.1 -0.919 72.4 -99.9-132.7 164.5 43.7 62.5 97.4 43 43 A A - 0 0 15 -2,-0.3 -4,-0.4 282,-0.1 284,-0.1 -0.534 50.9 -98.6 -73.0 151.3 43.4 66.1 98.6 44 44 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -6,-0.3 -0.376 39.0-147.5 -65.1 149.4 45.2 68.6 96.4 45 45 A K E -F 37 0B 135 -8,-2.2 -8,-3.3 -3,-0.1 2,-0.3 -0.979 17.4-110.8-121.5 143.7 48.6 69.6 97.8 46 46 A L E +F 36 0B 5 -2,-0.4 -10,-0.2 277,-0.4 3,-0.1 -0.530 39.1 163.8 -75.2 128.9 50.1 73.0 97.4 47 47 A L E + 0 0 6 -12,-3.5 8,-3.0 1,-0.3 2,-0.4 0.734 64.6 18.2-103.9 -53.8 53.2 73.2 95.1 48 48 A I E -FG 35 54B 0 -13,-1.6 -13,-2.9 6,-0.2 -1,-0.3 -0.967 60.6-174.9-131.0 142.9 53.7 76.9 94.3 49 49 A Y E >> + G 0 53B 51 4,-2.0 4,-2.3 -2,-0.4 3,-0.7 -0.909 67.6 22.2-133.7 164.1 52.5 80.1 95.9 50 50 A S T 34 S- 0 0 14 -2,-0.3 2,-1.5 1,-0.3 -18,-0.2 0.890 124.3 -74.0 43.5 45.9 52.6 83.8 95.1 51 51 A A T 34 S+ 0 0 2 -18,-3.0 -1,-0.3 1,-0.2 21,-0.1 -0.163 126.3 26.5 71.1 -39.9 53.2 82.7 91.5 52 52 A S T <4 S+ 0 0 66 -2,-1.5 2,-0.6 -3,-0.7 12,-0.4 0.318 83.2 113.4-143.6 10.2 56.8 81.5 91.8 53 53 A F E < -G 49 0B 46 -4,-2.3 -4,-2.0 10,-0.1 2,-0.2 -0.839 61.0-129.6-103.0 116.1 57.7 80.4 95.3 54 54 A L E -G 48 0B 68 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.411 28.5-127.4 -53.7 118.8 58.4 76.7 95.9 55 55 A Y > - 0 0 47 -8,-3.0 3,-1.6 -2,-0.2 -1,-0.1 -0.316 42.6 -72.0 -70.8 157.6 56.3 75.5 98.9 56 56 A S T 3 S+ 0 0 107 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 -0.199 116.2 2.5 -53.5 129.6 58.1 73.7 101.8 57 57 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.746 91.3 134.8 63.2 25.7 59.3 70.2 100.9 58 58 A V < - 0 0 22 -3,-1.6 -1,-0.2 -11,-0.1 -11,-0.1 -0.844 68.3 -98.4 -96.5 138.8 58.2 70.3 97.2 59 59 A P > - 0 0 54 0, 0.0 3,-2.3 0, 0.0 -4,-0.1 -0.342 25.6-124.7 -58.2 137.9 60.8 68.9 94.9 60 60 A S T 3 S+ 0 0 110 1,-0.3 -6,-0.0 -6,-0.1 16,-0.0 0.681 102.5 84.9 -61.5 -11.4 62.8 71.7 93.3 61 61 A R T 3 S+ 0 0 41 16,-0.1 15,-2.6 14,-0.1 2,-0.4 0.738 77.4 79.0 -59.8 -24.5 61.8 70.1 90.0 62 62 A F E < +C 75 0A 5 -3,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.696 61.8 169.4 -86.4 134.7 58.6 72.1 90.3 63 63 A S E -C 74 0A 60 11,-2.2 11,-3.3 -2,-0.4 2,-0.4 -0.974 17.8-153.7-144.0 150.3 58.8 75.8 89.3 64 64 A G E +C 73 0A 6 -12,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.988 13.2 178.0-126.6 142.6 56.3 78.6 88.7 65 65 A S E -C 72 0A 57 7,-3.2 7,-3.2 -2,-0.4 2,-0.4 -0.957 16.8-145.5-136.6 165.8 56.4 81.7 86.6 66 66 A R E +C 71 0A 83 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.936 12.3 177.4-122.3 146.8 54.3 84.7 85.6 67 67 A S E > S-C 70 0A 94 3,-2.5 3,-1.5 -2,-0.4 2,-0.6 -0.642 71.5 -61.5-148.5 82.8 54.3 86.6 82.3 68 68 A G T 3 S- 0 0 48 1,-0.2 -1,-0.1 -2,-0.2 -38,-0.0 -0.660 119.2 -16.5 72.8-114.6 51.6 89.2 82.5 69 69 A T T 3 S+ 0 0 48 -2,-0.6 -44,-2.3 -3,-0.1 2,-0.5 0.402 120.3 94.1-101.4 -0.9 48.3 87.4 83.1 70 70 A D E < -BC 24 67A 40 -3,-1.5 -3,-2.5 -46,-0.2 2,-0.4 -0.828 58.4-166.2 -95.5 132.5 49.7 84.0 81.9 71 71 A F E -BC 23 66A 0 -48,-2.5 -48,-1.0 -2,-0.5 2,-0.5 -0.945 2.4-157.3-123.7 134.3 51.1 81.8 84.7 72 72 A T E -BC 22 65A 25 -7,-3.2 -7,-3.2 -2,-0.4 2,-0.4 -0.963 12.0-164.1-126.3 127.5 53.2 78.8 84.2 73 73 A L E -BC 21 64A 1 -52,-2.4 -52,-2.6 -2,-0.5 2,-0.5 -0.887 18.8-164.5 -93.9 130.3 53.9 75.7 86.3 74 74 A T E -BC 20 63A 11 -11,-3.3 -11,-2.2 -2,-0.4 2,-0.6 -0.987 17.9-167.0-122.6 123.9 57.0 73.8 85.1 75 75 A I E -BC 19 62A 1 -56,-2.1 -56,-2.8 -2,-0.5 3,-0.3 -0.964 15.9-166.4 -96.7 115.5 57.9 70.3 86.0 76 76 A S S S+ 0 0 60 -15,-2.6 2,-0.3 -2,-0.6 -1,-0.1 0.811 75.2 18.1 -87.4 -28.4 61.5 70.2 84.8 77 77 A S S S- 0 0 44 -16,-0.1 -1,-0.3 -59,-0.1 -59,-0.2 -0.717 88.4-137.4-139.5 92.3 62.3 66.5 84.8 78 78 A L - 0 0 0 -61,-2.6 -62,-2.9 -3,-0.3 -61,-0.2 -0.175 21.5-167.2 -56.4 133.1 59.0 64.6 84.9 79 79 A Q > - 0 0 50 -64,-0.2 3,-2.5 -63,-0.1 4,-0.1 -0.877 34.7-108.3-114.7 156.2 59.0 61.7 87.3 80 80 A P G > S+ 0 0 24 0, 0.0 3,-1.6 0, 0.0 89,-0.1 0.855 116.9 60.8 -50.4 -39.0 56.5 58.8 87.6 81 81 A E G 3 S+ 0 0 79 1,-0.3 88,-0.1 88,-0.1 87,-0.1 0.546 87.9 77.0 -67.6 -6.4 55.1 60.2 91.0 82 82 A D G < + 0 0 1 -3,-2.5 2,-0.4 86,-0.1 -1,-0.3 0.342 60.0 122.6 -89.5 3.7 54.2 63.4 89.0 83 83 A F < + 0 0 4 -3,-1.6 2,-0.3 85,-0.2 22,-0.1 -0.621 48.7 98.9 -65.0 122.6 51.2 61.6 87.6 84 84 A A E S- H 0 104B 2 20,-1.0 20,-3.1 -2,-0.4 2,-0.4 -0.969 75.8 -82.2 175.3 165.2 48.4 63.9 88.7 85 85 A T E -EH 38 103B 33 -47,-3.0 -47,-3.9 -2,-0.3 2,-0.4 -0.889 41.4-155.8 -91.0 137.9 45.9 66.7 88.0 86 86 A Y E -EH 37 102B 0 16,-1.7 16,-2.6 -2,-0.4 2,-0.4 -0.904 8.8-169.5-119.0 141.3 47.4 70.2 88.4 87 87 A Y E -E 36 0B 8 -51,-1.6 -51,-2.7 -2,-0.4 2,-0.2 -0.997 13.5-151.2-137.3 123.2 45.3 73.4 89.2 88 88 A a E -E 35 0B 0 -2,-0.4 11,-2.7 -53,-0.2 2,-0.4 -0.622 20.1-167.8 -80.2 156.8 46.2 77.0 89.2 89 89 A Q E -EI 34 98B 0 -55,-1.8 -55,-2.8 -2,-0.2 2,-0.4 -0.986 11.4-147.8-142.6 140.4 44.2 79.2 91.7 90 90 A Q E +EI 33 97B 0 7,-2.3 7,-1.5 -2,-0.4 -57,-0.2 -0.947 17.2 174.5-105.0 133.9 43.9 82.9 91.9 91 91 A H + 0 0 7 -59,-3.2 -58,-0.1 -2,-0.4 -1,-0.1 0.010 48.4 111.5-120.5 29.7 43.4 84.7 95.3 92 92 A Y S S+ 0 0 40 -60,-0.5 2,-0.3 902,-0.1 -1,-0.1 0.892 90.2 11.4 -66.7 -43.4 43.7 88.3 94.1 93 93 A T S S- 0 0 47 2,-0.2 4,-0.1 901,-0.2 903,-0.1 -0.844 99.9 -73.9-121.3 167.8 40.0 88.9 94.8 94 94 A T S S+ 0 0 18 889,-0.4 -3,-0.1 -2,-0.3 3,-0.0 -0.878 108.8 52.6-100.7 137.9 37.4 86.9 96.7 95 95 A P S S- 0 0 21 0, 0.0 -93,-0.2 0, 0.0 -2,-0.2 0.513 87.4-141.2 -69.0 151.2 36.1 84.5 95.7 96 96 A P - 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