==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 06-SEP-12 4GZ8 . COMPND 2 MOLECULE: SEMAPHORIN-3A; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR B.J.C.JANSSEN,T.MALINAUSKAS,C.SIEBOLD,E.Y.JONES . 1112 14 14 12 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 633 56.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 338 30.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 111 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 4 0 0 4 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 . 6 0 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 0 PARALLEL BRIDGES PER LADDER . 9 12 7 0 14 10 4 2 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 . 6 2 6 6 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 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 27 A N 0 0 91 0, 0.0 2,-0.3 0, 0.0 397,-0.1 0.000 360.0 360.0 360.0 109.9 34.9 -10.3 -7.5 2 28 A N - 0 0 65 395,-0.2 442,-0.1 442,-0.0 540,-0.0 -0.950 360.0-107.7-152.3 167.2 35.4 -6.6 -8.7 3 29 A V - 0 0 74 -2,-0.3 442,-0.2 539,-0.0 2,-0.1 -0.921 47.3-115.9 -94.4 129.4 34.1 -3.1 -9.4 4 30 A P - 0 0 17 0, 0.0 442,-0.2 0, 0.0 443,-0.1 -0.457 15.7-142.5 -62.2 138.8 34.0 -2.5 -13.2 5 31 A R S S+ 0 0 34 440,-2.8 2,-0.3 1,-0.2 442,-0.2 0.994 84.7 23.8 -63.9 -60.5 36.4 0.2 -14.2 6 32 A L E -a 447 0A 25 440,-2.0 442,-1.8 439,-0.2 2,-0.4 -0.813 67.4-163.1-108.0 149.4 34.1 1.7 -16.8 7 33 A K E -a 448 0A 130 -2,-0.3 2,-0.6 440,-0.2 442,-0.2 -0.928 4.3-170.7-135.5 110.5 30.4 1.4 -17.1 8 34 A L E -a 449 0A 8 440,-1.3 442,-2.0 -2,-0.4 2,-0.1 -0.885 10.9-150.7-106.1 118.3 28.5 2.1 -20.3 9 35 A S > - 0 0 48 -2,-0.6 4,-2.1 440,-0.2 5,-0.1 -0.315 37.3 -98.0 -74.4 168.7 24.7 2.3 -20.3 10 36 A Y H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.907 124.5 50.0 -59.1 -42.5 22.9 1.4 -23.5 11 37 A K H > S+ 0 0 130 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.938 106.5 52.8 -64.3 -48.8 22.5 5.0 -24.5 12 38 A E H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 113.0 49.3 -48.4 -43.6 26.2 5.9 -23.9 13 39 A M H <>S+ 0 0 0 -4,-2.1 5,-2.7 437,-0.2 6,-0.6 0.918 111.6 43.5 -64.0 -52.8 26.9 2.9 -26.2 14 40 A L H ><5S+ 0 0 83 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.811 114.0 51.2 -67.5 -34.0 24.6 3.7 -29.1 15 41 A E H 3<5S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 112.7 45.7 -71.3 -37.9 25.5 7.4 -29.1 16 42 A S T 3<5S- 0 0 44 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.131 116.7-112.8 -91.6 22.4 29.2 6.6 -29.3 17 43 A N T < 5S+ 0 0 113 -3,-0.8 -3,-0.2 2,-0.1 -4,-0.1 0.690 79.6 126.1 54.1 26.6 28.7 3.9 -32.0 18 44 A N < + 0 0 9 -5,-2.7 2,-0.4 -6,-0.2 -4,-0.2 0.892 66.2 52.7 -72.6 -41.4 29.7 0.9 -29.8 19 45 A V - 0 0 5 -6,-0.6 2,-0.5 -9,-0.2 462,-0.2 -0.826 55.8-169.8-106.4 139.1 26.5 -1.0 -30.6 20 46 A I E -E 480 0B 39 460,-1.5 460,-2.1 -2,-0.4 2,-0.4 -0.995 28.1-155.4-111.1 124.2 24.8 -1.9 -33.8 21 47 A T E -E 479 0B 18 -2,-0.5 2,-0.6 458,-0.2 458,-0.2 -0.816 24.3-165.8-111.8 140.3 21.3 -3.2 -32.9 22 48 A F E -E 478 0B 15 456,-2.7 456,-1.5 -2,-0.4 3,-0.1 -0.965 3.7-173.1-113.9 107.7 18.9 -5.5 -34.6 23 49 A N - 0 0 96 -2,-0.6 -1,-0.1 454,-0.2 456,-0.1 0.578 42.1-137.6 -75.0 -11.8 15.5 -5.1 -32.9 24 50 A G - 0 0 22 454,-0.1 -1,-0.1 -3,-0.1 4,-0.1 0.265 29.1 -43.9 81.4 159.2 14.3 -8.0 -35.0 25 51 A L > - 0 0 40 1,-0.1 3,-1.2 2,-0.1 -3,-0.0 -0.326 46.7-130.2 -62.2 142.6 11.2 -8.7 -37.0 26 52 A A T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.0 0.712 107.6 54.5 -71.3 -22.4 7.9 -7.9 -35.2 27 53 A N T 3 S+ 0 0 97 2,-0.0 -1,-0.3 21,-0.0 2,-0.3 -0.146 110.5 51.5 -98.9 36.4 6.6 -11.4 -36.0 28 54 A S < + 0 0 19 -3,-1.2 2,-0.3 -4,-0.1 21,-0.1 -0.906 49.3 160.4-156.1-178.3 9.5 -13.2 -34.4 29 55 A S + 0 0 26 -2,-0.3 19,-1.6 19,-0.2 3,-0.2 -0.920 43.7 83.6-176.2-162.0 11.7 -13.6 -31.4 30 56 A S - 0 0 17 -2,-0.3 2,-1.9 1,-0.2 3,-0.4 0.875 43.2-177.1 45.4 61.2 14.1 -16.0 -29.8 31 57 A Y B +H 474 0C 4 443,-2.0 443,-0.8 1,-0.2 -1,-0.2 -0.573 43.1 122.2 -88.4 72.1 17.3 -15.0 -31.8 32 58 A H + 0 0 42 -2,-1.9 2,-1.0 14,-1.0 -1,-0.2 0.663 36.4 82.0-112.2 -26.5 19.1 -17.7 -29.9 33 59 A T E -I 46 0D 18 13,-1.9 13,-3.0 -3,-0.4 2,-0.2 -0.721 60.1-174.6-104.1 90.3 20.6 -20.2 -32.4 34 60 A F E +I 45 0D 25 -2,-1.0 2,-0.3 11,-0.2 11,-0.2 -0.525 16.6 178.0 -88.7 144.9 23.9 -18.8 -33.7 35 61 A L E -I 44 0D 24 9,-2.4 9,-2.8 -2,-0.2 2,-0.4 -0.872 15.6-156.9-140.9 112.2 26.2 -20.2 -36.4 36 62 A L E -I 43 0D 37 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.771 10.0-176.5 -91.2 133.9 29.3 -18.2 -37.2 37 63 A D E > +I 42 0D 22 5,-2.2 5,-2.4 -2,-0.4 19,-0.1 -0.897 8.2 177.0-132.5 96.4 30.8 -18.7 -40.6 38 64 A E T 5S+ 0 0 47 -2,-0.4 3,-0.4 3,-0.2 -1,-0.1 0.895 76.7 66.3 -63.5 -44.9 34.0 -16.7 -41.1 39 65 A E T 5S+ 0 0 155 1,-0.3 2,-0.8 2,-0.1 -1,-0.2 0.905 114.3 28.4 -42.8 -64.1 34.7 -18.1 -44.6 40 66 A R T 5S- 0 0 30 2,-0.1 2,-0.9 81,-0.1 -1,-0.3 -0.848 110.5-119.9 -98.0 93.6 31.6 -16.5 -46.1 41 67 A S T 5 + 0 0 31 -2,-0.8 15,-1.9 -3,-0.4 16,-0.4 0.046 69.2 122.0 -60.6 82.7 31.7 -13.6 -43.7 42 68 A R E < -IJ 37 55D 36 -5,-2.4 -5,-2.2 -2,-0.9 2,-0.6 -0.984 55.8-144.0-144.5 147.7 28.2 -14.2 -42.2 43 69 A L E -IJ 36 54D 0 11,-3.2 11,-2.5 -2,-0.3 2,-0.3 -0.927 23.2-156.9-110.5 103.1 26.5 -14.9 -38.9 44 70 A Y E -IJ 35 53D 3 -9,-2.8 -9,-2.4 -2,-0.6 2,-0.4 -0.601 11.1-167.3 -81.4 141.0 23.6 -17.3 -39.4 45 71 A V E -IJ 34 52D 0 7,-2.7 7,-2.9 -2,-0.3 2,-0.5 -0.977 15.4-147.4-137.7 128.1 20.8 -17.1 -36.7 46 72 A G E +IJ 33 51D 0 -13,-3.0 -13,-1.9 -2,-0.4 -14,-1.0 -0.766 34.5 154.1 -89.0 128.7 17.9 -19.4 -36.0 47 73 A A - 0 0 0 3,-2.4 45,-3.5 -2,-0.5 2,-0.8 -0.462 52.6 -48.3-132.5-163.0 14.8 -17.7 -34.6 48 74 A K B S-L 91 0E 27 -19,-1.6 43,-0.3 43,-0.3 -19,-0.2 -0.782 121.2 -20.6 -79.1 110.2 11.0 -18.0 -34.4 49 75 A D S S+ 0 0 20 41,-3.5 18,-2.0 -2,-0.8 2,-0.3 0.491 129.6 65.7 70.1 7.1 9.8 -18.9 -37.9 50 76 A H E - K 0 66D 4 40,-0.3 -3,-2.4 16,-0.2 2,-0.4 -0.968 61.3-147.4-145.6 161.1 13.0 -17.5 -39.7 51 77 A I E -JK 46 65D 0 14,-1.6 14,-2.8 -2,-0.3 2,-0.3 -0.987 25.7-151.0-124.9 138.9 16.7 -18.0 -40.1 52 78 A F E -JK 45 64D 0 -7,-2.9 -7,-2.7 -2,-0.4 2,-0.4 -0.778 10.4-154.1-107.6 153.3 18.7 -14.9 -40.6 53 79 A S E -JK 44 63D 3 10,-2.5 10,-1.5 -2,-0.3 2,-0.4 -0.876 22.6-166.2-124.7 92.0 22.0 -14.5 -42.5 54 80 A F E -JK 43 62D 0 -11,-2.5 -11,-3.2 -2,-0.4 2,-0.4 -0.667 22.1-122.2 -90.6 134.3 23.8 -11.5 -41.0 55 81 A N E > -J 42 0D 26 6,-2.4 3,-1.2 3,-0.4 6,-0.2 -0.573 17.6-141.7 -67.1 122.9 26.7 -9.8 -42.6 56 82 A L T 3 S+ 0 0 0 -15,-1.9 3,-0.3 -2,-0.4 -1,-0.1 0.780 98.3 60.6 -61.0 -25.3 29.6 -9.9 -40.1 57 83 A V T 3 S- 0 0 80 -16,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.803 131.7 -7.6 -70.8 -31.4 30.7 -6.3 -41.0 58 84 A N X - 0 0 59 -3,-1.2 3,-2.4 3,-0.2 -3,-0.4 -0.646 61.1-148.0-170.9 106.9 27.3 -4.9 -39.9 59 85 A I T 3 S+ 0 0 0 1,-0.3 -3,-0.1 -3,-0.3 -6,-0.1 0.489 91.3 78.4 -62.7 -6.8 24.3 -7.1 -38.9 60 86 A K T 3 S+ 0 0 128 -5,-0.1 2,-0.7 1,-0.1 -1,-0.3 0.712 83.8 71.8 -73.3 -20.2 21.9 -4.4 -40.2 61 87 A D S < S+ 0 0 81 -3,-2.4 -6,-2.4 -6,-0.2 2,-0.3 -0.869 77.0 132.7 -92.4 110.1 22.7 -5.8 -43.7 62 88 A F E -K 54 0D 62 -2,-0.7 2,-0.3 -8,-0.2 -8,-0.2 -0.988 46.0-140.8-153.7 162.9 21.0 -9.3 -43.9 63 89 A Q E -K 53 0D 60 -10,-1.5 -10,-2.5 -2,-0.3 2,-0.3 -0.773 23.8-154.9-114.3 169.6 18.9 -11.8 -45.7 64 90 A K E -K 52 0D 96 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.999 13.7-144.0-149.0 144.5 16.3 -14.1 -44.2 65 91 A I E -K 51 0D 8 -14,-2.8 -14,-1.6 -2,-0.3 2,-0.7 -0.915 18.6-145.3-102.6 132.1 14.6 -17.4 -44.8 66 92 A V E +K 50 0D 89 -2,-0.4 -16,-0.2 -16,-0.2 -17,-0.1 -0.876 31.3 159.3-101.6 113.4 10.9 -17.6 -43.8 67 93 A W + 0 0 4 -18,-2.0 -18,-0.2 -2,-0.7 2,-0.1 -0.601 8.9 148.2-140.6 73.5 10.2 -21.1 -42.6 68 94 A P - 0 0 44 0, 0.0 2,-0.2 0, 0.0 21,-0.1 -0.385 47.0 -95.2 -95.4 177.1 7.1 -21.4 -40.3 69 95 A V - 0 0 17 1,-0.2 21,-0.1 -2,-0.1 41,-0.1 -0.507 45.0 -89.6 -91.4 165.9 4.7 -24.3 -40.0 70 96 A S > - 0 0 67 -2,-0.2 4,-2.6 1,-0.1 -1,-0.2 -0.037 32.4-109.3 -66.2 170.7 1.4 -24.8 -41.8 71 97 A Y H > S+ 0 0 194 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.972 120.5 56.8 -63.2 -54.7 -2.1 -23.7 -40.7 72 98 A T H > S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.855 110.8 42.9 -36.1 -50.8 -3.0 -27.3 -40.0 73 99 A R H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.931 110.1 54.2 -76.1 -44.8 -0.0 -27.6 -37.6 74 100 A R H X S+ 0 0 93 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.914 110.8 51.1 -45.6 -44.4 -0.6 -24.2 -35.9 75 101 A D H X S+ 0 0 83 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.907 108.3 47.2 -69.5 -43.3 -4.1 -25.4 -35.3 76 102 A E H X S+ 0 0 104 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.950 112.7 51.3 -56.2 -50.9 -3.1 -28.8 -33.7 77 103 A a H <>S+ 0 0 4 -4,-2.5 5,-1.0 2,-0.2 -1,-0.2 0.851 107.8 52.6 -58.0 -41.2 -0.6 -27.1 -31.5 78 104 A K H ><5S+ 0 0 86 -4,-1.9 3,-2.3 -5,-0.2 -1,-0.2 0.968 111.8 44.5 -56.6 -55.1 -3.1 -24.6 -30.3 79 105 A W H 3<5S+ 0 0 196 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.563 98.6 71.8 -74.0 -11.0 -5.6 -27.3 -29.3 80 106 A A T 3<5S- 0 0 47 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.511 120.3-110.8 -70.1 -9.0 -2.7 -29.2 -27.7 81 107 A G T < 5 + 0 0 65 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.041 68.8 145.6 102.7 -24.0 -3.0 -26.4 -25.2 82 108 A K < - 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