==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (ANTIBODY/PEPTIDE EPITOPE) 23-DEC-97 1SM3 . COMPND 2 MOLECULE: SM3 ANTIBODY; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR P.DOKURNO,P.A.BATES,H.A.BAND,L.M.D.STEWART,J.M.LALLY, . 430 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18667.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 40.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 6 1.4 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 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 . 1 1 0 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 . 2 5 7 1 6 5 2 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 . 1 1 2 3 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 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 3 L I 0 0 77 0, 0.0 2,-0.5 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 138.4 32.1 -1.1 10.2 2 4 L V - 0 0 91 96,-0.1 22,-1.4 2,-0.0 2,-0.6 -0.943 360.0-160.7-116.7 125.3 29.9 1.6 11.7 3 5 L V E -Ab 23 100A 8 96,-0.5 98,-0.6 -2,-0.5 2,-0.4 -0.885 16.0-159.7-104.1 117.8 27.3 3.6 9.7 4 6 L T E +A 22 0A 75 18,-1.9 18,-2.4 -2,-0.6 2,-0.3 -0.827 14.5 172.4-108.4 138.2 26.3 6.9 11.5 5 7 L Q E -A 21 0A 21 -2,-0.4 2,-0.2 97,-0.2 16,-0.1 -0.820 43.0 -86.7-129.1 167.7 23.1 9.0 10.9 6 8 L E - 0 0 59 14,-0.5 3,-0.1 -2,-0.3 98,-0.1 -0.579 34.4-134.5 -73.9 141.5 21.6 12.0 12.7 7 9 L S S S- 0 0 106 -2,-0.2 97,-3.0 1,-0.2 2,-0.3 0.913 75.1 -12.8 -69.6 -41.9 19.4 11.0 15.6 8 10 L A E -e 104 0B 37 95,-0.3 2,-0.3 78,-0.0 -1,-0.2 -0.987 54.8-170.0-156.9 153.3 16.6 13.4 14.9 9 11 L L E -e 105 0B 44 95,-2.6 97,-3.0 -2,-0.3 2,-0.4 -0.983 9.9-152.7-142.2 150.0 15.7 16.3 12.8 10 12 L T E +e 106 0B 58 -2,-0.3 2,-0.3 95,-0.2 97,-0.2 -0.963 17.9 169.4-124.5 140.1 12.6 18.7 12.8 11 13 L T E -e 107 0B 15 95,-2.5 97,-2.1 -2,-0.4 3,-0.1 -0.996 33.7-119.4-148.6 149.8 11.2 20.6 9.9 12 14 L S > - 0 0 64 -2,-0.3 3,-1.4 95,-0.2 67,-0.1 -0.603 51.9 -92.0 -81.0 152.0 8.1 22.7 9.1 13 15 L P T 3 S+ 0 0 61 0, 0.0 67,-0.2 0, 0.0 66,-0.1 -0.297 110.9 35.5 -60.7 151.9 6.2 21.3 6.2 14 16 L G T 3 S+ 0 0 49 65,-3.0 2,-0.2 1,-0.3 66,-0.1 0.300 94.9 106.9 87.1 -11.6 7.2 22.7 2.8 15 17 L E S < S- 0 0 115 -3,-1.4 64,-2.8 64,-0.3 2,-0.4 -0.610 70.6-114.3 -96.3 168.0 10.8 23.0 3.7 16 18 L T - 0 0 76 62,-0.2 2,-0.4 61,-0.2 61,-0.2 -0.796 29.1-171.2-101.1 142.3 13.7 20.9 2.4 17 19 L V E - C 0 76A 15 59,-2.2 59,-2.7 -2,-0.4 2,-0.5 -0.978 9.6-157.0-131.7 145.2 15.7 18.6 4.7 18 20 L T E - C 0 75A 56 -2,-0.4 2,-0.4 57,-0.2 57,-0.2 -0.986 5.4-167.0-123.3 128.6 18.9 16.6 4.1 19 21 L L E - C 0 74A 0 55,-2.7 55,-2.8 -2,-0.5 2,-0.2 -0.906 14.1-151.5-104.8 139.3 19.8 13.6 6.2 20 22 L T E - C 0 73A 29 -2,-0.4 -14,-0.5 53,-0.2 2,-0.4 -0.714 10.2-160.3-113.7 170.0 23.4 12.2 5.9 21 23 L a E -AC 5 72A 0 51,-2.2 51,-2.3 -2,-0.2 2,-0.3 -0.942 12.4-170.0-149.4 114.4 25.0 8.8 6.3 22 24 L R E -A 4 0A 114 -18,-2.4 -18,-1.9 -2,-0.4 2,-0.4 -0.790 15.6-137.4-114.7 157.3 28.7 8.2 7.0 23 25 L S E -A 3 0A 2 3,-0.6 3,-0.4 47,-0.4 -20,-0.2 -0.884 11.5-141.6-108.3 138.1 30.9 5.2 7.0 24 26 L S S S+ 0 0 69 -22,-1.4 -21,-0.1 -2,-0.4 3,-0.1 0.537 99.8 59.2 -72.9 -6.4 33.6 4.7 9.7 25 27 L T S S- 0 0 101 1,-0.3 2,-0.3 -23,-0.1 -1,-0.2 0.729 118.9 -76.7 -97.6 -23.1 36.0 3.4 7.1 26 27AL G S S- 0 0 37 -3,-0.4 -3,-0.6 44,-0.1 -1,-0.3 -0.988 80.8 -2.7 159.6-159.2 36.1 6.3 4.8 27 27BL A - 0 0 46 -2,-0.3 2,-0.5 -5,-0.1 44,-0.2 -0.276 61.7-123.7 -59.9 140.7 34.2 8.2 2.2 28 27CL V + 0 0 4 42,-2.7 2,-0.2 -7,-0.1 -1,-0.1 -0.785 40.5 176.8 -83.6 124.7 30.9 6.8 1.0 29 28 L T > - 0 0 62 -2,-0.5 3,-2.1 38,-0.0 5,-0.4 -0.618 48.9 -88.0-118.9-178.1 31.1 6.2 -2.8 30 29 L T G > S+ 0 0 91 1,-0.3 3,-1.5 -2,-0.2 -2,-0.0 0.738 120.7 71.3 -66.1 -19.2 28.8 4.8 -5.5 31 30 L S G 3 S+ 0 0 72 1,-0.3 63,-0.4 2,-0.1 -1,-0.3 0.576 87.7 62.7 -72.4 -9.7 30.3 1.4 -4.7 32 31 L N G < S- 0 0 17 -3,-2.1 60,-2.8 61,-0.1 -1,-0.3 0.439 92.0-148.7 -91.5 0.2 28.4 1.4 -1.4 33 32 L Y < - 0 0 62 -3,-1.5 18,-0.8 58,-0.2 -3,-0.1 0.816 20.7-145.6 30.8 54.8 25.2 1.5 -3.2 34 33 L A - 0 0 0 -5,-0.4 18,-1.8 16,-0.2 2,-0.3 -0.162 15.7-161.6 -50.8 129.9 23.6 3.5 -0.3 35 34 L N E -F 90 0B 1 55,-2.4 55,-1.7 -3,-0.2 2,-0.4 -0.789 7.8-151.6-108.4 156.1 19.9 2.7 0.4 36 35 L W E -FG 89 49B 0 13,-2.1 12,-3.4 -2,-0.3 13,-1.6 -1.000 14.3-173.6-129.8 128.2 17.3 4.7 2.3 37 36 L V E -FG 88 47B 0 51,-2.8 51,-3.2 -2,-0.4 2,-0.4 -0.967 12.4-144.1-125.0 136.5 14.5 3.0 4.0 38 37 L Q E -FG 87 46B 13 8,-3.0 8,-1.7 -2,-0.4 2,-0.6 -0.866 6.2-161.4-105.8 133.6 11.5 4.5 5.8 39 38 L E E -FG 86 45B 18 47,-3.0 47,-2.2 -2,-0.4 6,-0.2 -0.941 9.5-172.1-113.9 114.1 9.9 3.2 8.9 40 39 L K E > - G 0 44B 63 4,-2.7 4,-2.5 -2,-0.6 3,-0.1 -0.770 47.4 -65.6-100.9 150.2 6.4 4.4 9.7 41 40 L P T 4 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 126,-0.0 -0.002 122.4 39.3 -36.4 121.9 4.5 3.7 13.0 42 41 L D T 4 S- 0 0 75 -3,-0.1 3,-0.1 1,-0.1 -2,-0.1 0.619 129.1 -75.2 104.5 27.8 3.8 -0.1 13.2 43 42 L H T 4 S+ 0 0 71 1,-0.2 2,-0.8 -3,-0.1 -1,-0.1 0.892 78.5 162.5 60.0 36.9 7.1 -1.3 11.8 44 43 L L E < -G 40 0B 103 -4,-2.5 -4,-2.7 2,-0.0 2,-0.4 -0.853 16.2-171.9 -93.8 111.2 6.1 -0.5 8.3 45 44 L F E +G 39 0B 16 -2,-0.8 273,-0.4 274,-0.3 2,-0.3 -0.821 11.6 170.0-107.1 145.1 9.2 -0.4 6.2 46 45 L T E -G 38 0B 55 -8,-1.7 -8,-3.0 -2,-0.4 2,-0.3 -0.984 31.3-121.7-153.8 135.4 9.5 0.8 2.7 47 46 L G E +G 37 0B 2 269,-1.7 -10,-0.3 -2,-0.3 3,-0.1 -0.681 27.5 173.1 -82.6 136.8 12.5 1.4 0.5 48 47 L L E + 0 0 4 -12,-3.4 8,-2.8 1,-0.4 2,-0.3 0.820 65.2 19.1-105.6 -49.7 12.9 4.9 -0.9 49 48 L I E +GH 36 55B 2 -13,-1.6 -13,-2.1 6,-0.3 -1,-0.4 -0.968 58.9 179.4-130.5 140.1 16.4 4.9 -2.6 50 49 L G E > + H 0 54B 1 4,-2.4 4,-2.4 -2,-0.3 3,-0.5 -0.940 67.9 22.4-133.6 157.4 18.7 2.1 -3.8 51 50 L G T 4 S- 0 0 21 -18,-0.8 2,-2.3 -2,-0.3 -1,-0.2 0.935 126.0 -66.4 52.3 51.4 22.0 2.3 -5.5 52 51 L T T 4 S+ 0 0 7 -18,-1.8 -1,-0.3 1,-0.2 21,-0.2 -0.275 128.7 11.0 71.2 -50.9 22.8 5.8 -4.1 53 52 L N T 4 S+ 0 0 107 -2,-2.3 2,-0.8 -3,-0.5 -1,-0.2 0.193 86.6 118.1-148.6 18.0 20.1 7.7 -6.1 54 53 L N E < -H 50 0B 108 -4,-2.4 -4,-2.4 10,-0.1 2,-0.3 -0.820 56.7-140.9 -93.6 110.3 17.6 5.3 -7.7 55 54 L R E -H 49 0B 97 -2,-0.8 -6,-0.3 -6,-0.2 3,-0.1 -0.551 19.5-117.1 -73.3 131.3 14.3 6.0 -6.2 56 55 L A > - 0 0 8 -8,-2.8 3,-1.4 -2,-0.3 -1,-0.1 -0.248 47.7 -80.0 -60.9 155.3 12.2 2.8 -5.6 57 56 L P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 -0.276 114.9 16.8 -63.6 141.4 9.0 2.6 -7.6 58 57 L G T 3 S+ 0 0 85 1,-0.3 3,-0.1 -3,-0.1 -2,-0.1 0.132 88.8 134.1 85.8 -22.5 6.0 4.5 -6.3 59 58 L V < - 0 0 12 -3,-1.4 -1,-0.3 -11,-0.1 -4,-0.1 -0.449 66.1 -98.3 -65.1 130.4 8.2 6.7 -4.1 60 59 L P > - 0 0 48 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.068 23.5-122.2 -50.1 141.1 7.3 10.5 -4.3 61 60 L A T 3 S+ 0 0 78 1,-0.3 16,-0.1 -3,-0.1 -2,-0.1 0.771 104.5 77.3 -58.7 -26.1 9.4 12.5 -6.5 62 61 L R T 3 S+ 0 0 38 14,-0.1 15,-2.6 16,-0.1 2,-0.5 0.605 80.3 85.2 -62.9 -10.0 10.3 14.8 -3.5 63 62 L F E < +D 76 0A 5 -3,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.843 57.0 170.4 -96.8 128.3 12.8 12.1 -2.3 64 63 L S E -D 75 0A 53 11,-2.3 11,-3.1 -2,-0.5 2,-0.3 -1.000 20.8-150.6-139.7 139.8 16.3 12.1 -3.7 65 64 L G E +D 74 0A 7 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.738 29.7 148.8-101.0 152.5 19.5 10.3 -2.9 66 65 L S E -D 73 0A 34 7,-2.3 7,-2.5 -2,-0.3 2,-0.4 -0.932 45.2-103.8-165.7-178.8 22.9 11.7 -3.5 67 66 L L E -D 72 0A 64 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.999 30.2-177.6-124.7 121.1 26.5 11.9 -2.4 68 67 L I E > -D 71 0A 85 3,-2.4 3,-2.0 -2,-0.4 -2,-0.0 -0.975 62.7 -45.5-122.8 114.9 27.6 15.0 -0.5 69 68 L G T 3 S- 0 0 73 -2,-0.5 -41,-0.0 1,-0.3 0, 0.0 -0.387 123.3 -21.8 59.9-139.1 31.2 15.2 0.4 70 69 L D T 3 S+ 0 0 103 -43,-0.1 -42,-2.7 -3,-0.1 -47,-0.4 0.220 124.9 79.8 -87.4 18.3 32.2 11.8 1.9 71 70 L K E < S- D 0 68A 52 -3,-2.0 -3,-2.4 -44,-0.2 2,-0.3 -0.864 75.6-120.8-126.4 157.1 28.7 10.9 2.9 72 71 L A E -CD 21 67A 0 -51,-2.3 -51,-2.2 -2,-0.3 2,-0.3 -0.658 38.2-165.3 -83.5 151.4 25.5 9.5 1.4 73 72 L A E -CD 20 66A 0 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.5 -0.978 20.1-152.7-143.4 149.4 22.6 11.8 1.7 74 73 L L E -CD 19 65A 0 -55,-2.8 -55,-2.7 -2,-0.3 2,-0.5 -0.993 17.0-164.8-120.0 128.1 18.8 11.8 1.4 75 74 L T E -CD 18 64A 19 -11,-3.1 -11,-2.3 -2,-0.5 2,-0.6 -0.962 10.6-165.6-120.5 128.6 17.0 14.9 0.6 76 75 L I E > -CD 17 63A 0 -59,-2.7 -59,-2.2 -2,-0.5 2,-0.6 -0.955 13.1-157.1-110.5 110.9 13.4 15.6 0.9 77 76 L T T 3 S+ 0 0 83 -15,-2.6 -61,-0.2 -2,-0.6 -62,-0.1 -0.796 78.9 1.4 -91.8 116.3 12.4 18.7 -1.0 78 77 L G T 3 S- 0 0 25 -2,-0.6 -1,-0.3 -64,-0.1 -62,-0.2 0.943 92.7-145.5 74.6 49.2 9.2 20.3 0.3 79 78 L A < - 0 0 1 -64,-2.8 -65,-3.0 -3,-0.6 -64,-0.3 -0.085 10.8-145.6 -51.4 141.5 8.8 17.7 3.1 80 79 L Q > - 0 0 82 -67,-0.2 3,-2.2 -66,-0.1 4,-0.1 -0.703 24.4-109.6-108.6 166.3 5.2 16.8 3.9 81 80 L T G > S+ 0 0 82 1,-0.3 3,-1.8 -2,-0.2 26,-0.3 0.831 117.0 65.0 -64.5 -30.9 3.6 15.9 7.3 82 81 L E G 3 S+ 0 0 93 1,-0.3 -1,-0.3 27,-0.0 -3,-0.0 0.478 89.0 70.9 -67.0 -5.3 3.2 12.3 6.1 83 82 L D G < + 0 0 1 -3,-2.2 2,-0.5 2,-0.1 -1,-0.3 0.423 61.0 116.9 -93.9 -4.1 7.0 12.2 6.1 84 83 L E < + 0 0 14 -3,-1.8 2,-0.3 23,-0.2 22,-0.2 -0.612 52.1 104.5 -61.1 119.3 7.4 12.3 9.9 85 84 L A E S- I 0 105B 4 20,-1.0 20,-3.3 -2,-0.5 2,-0.4 -0.950 76.3 -80.0-178.5-180.0 9.0 8.8 10.2 86 85 L I E -FI 39 104B 56 -47,-2.2 -47,-3.0 -2,-0.3 2,-0.5 -0.863 38.2-155.0-107.5 141.4 12.4 7.2 10.9 87 86 L Y E -FI 38 103B 0 16,-2.0 16,-1.4 -2,-0.4 2,-0.4 -0.982 8.2-169.3-121.3 121.9 14.9 6.9 8.0 88 87 L F E -F 37 0B 8 -51,-3.2 -51,-2.8 -2,-0.5 2,-0.4 -0.861 6.2-155.7-107.6 146.5 17.6 4.3 7.8 89 88 L a E -F 36 0B 0 -2,-0.4 11,-2.8 -53,-0.2 2,-0.4 -0.889 5.8-161.4-115.8 150.2 20.4 4.1 5.5 90 89 L A E -FJ 35 99B 0 -55,-1.7 -55,-2.4 -2,-0.4 2,-0.4 -0.996 3.1-157.1-130.5 137.7 22.3 1.0 4.5 91 90 L L E - 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