Secondary structure calculation program - copyright by David Keith Smith, 1989 1prr-.pdb 1PRR BINDING PROTEIN DEVELOPMENT-SPECIFIC PROTEIN S (SPORE COAT PROTEIN (MYXOCOCCUS XANTHUS) Sequence length - 173 A A K K hydrogen bonding Ooi's strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14 1 1 MET M 0 0 999.9 158.4 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 21 2 2 ALA A + 0 0 -149.4 172.9 -180.0 179.3 999.9 158.3 0 0.0 0 0.0 0 0.0 0 0.0 8 31 3 3 ASN N - 0 0 180.0 123.7 180.0 -123.2 27.5 134.1 0 0.0 0 0.0 0 0.0 0 0.0 9 36 4 4 ILE I E E AA - 19 0 -74.5 141.3 180.0 -153.1 23.3 119.9 19 -1.6 19 -3.1 0 0.0 6 -0.5 13 51 5 5 THR T E E AAB - 18 43 -120.3 112.8 -179.9 -168.2 11.6 159.9 43 -1.5 43 -1.9 0 0.0 0 0.0 11 49 6 6 VAL V E E AAB - 17 42 -91.2 174.9 179.9 -137.1 10.3 110.6 17 -2.0 17 -1.3 4 -0.5 0 0.0 12 59 7 7 PHE F E E AAB - 16 41 -133.9 147.1 -179.7 -140.7 9.3 169.5 41 -1.6 41 -1.2 0 0.0 40 -0.6 16 40 8 8 TYR Y S e S+ 0 0 -75.2 -37.5 -179.9 44.0 86.4 29.1 15 -2.6 0 0.0 14 -0.6 0 0.0 12 36 9 9 ASN N S S S- 0 0 -107.5 162.7 179.9 -101.1 91.0 133.4 13 -1.5 0 0.0 0 0.0 0 0.0 12 33 10 10 GLU E S t > TS+ 0 0 -72.1 169.5 -180.0 51.3 99.4 102.0 0 0.0 13 -1.0 0 0.0 0 0.0 11 36 11 11 ASP D T T 3 TS- 0 0 71.0 34.0 179.9 -72.3 131.0 29.6 0 0.0 0 0.0 0 0.0 0 0.0 8 37 12 12 PHE F T T 3 TS+ 0 0 60.5 -2.3 180.0 118.3 110.6 61.6 70 -0.6 0 0.0 0 0.0 0 0.0 11 40 13 13 GLN Q t < T + 0 0 -88.5 174.5 180.0 68.5 33.8 109.1 10 -1.0 9 -1.5 0 0.0 0 0.0 9 26 14 14 GLY G S S S- 0 0 91.1 137.4 -179.9 -47.0 96.6 70.4 0 0.0 8 -0.6 0 0.0 0 0.0 8 25 15 15 LYS K e - 0 0 -33.3 143.1 -179.8 -144.7 65.2 84.0 0 0.0 8 -2.6 0 0.0 0 0.0 7 25 16 16 GLN Q E E AA - 7 0 -115.6 168.9 180.0 -158.2 12.4 133.6 0 0.0 0 0.0 0 0.0 0 0.0 8 33 17 17 VAL V E E AA - 6 0 -148.9 132.6 -179.9 -136.4 13.7 168.1 6 -1.3 6 -2.0 0 0.0 19 -0.5 7 37 18 18 ASP D E E AA - 5 0 -93.7 126.0 179.9 -173.7 21.7 141.5 0 0.0 0 0.0 0 0.0 0 0.0 8 38 19 19 LEU L E E AA - 4 0 -121.4 126.9 180.0 -124.9 21.9 166.2 4 -3.1 4 -1.6 17 -0.5 0 0.0 7 48 20 20 PRO P - 0 0 -63.8 158.6 179.9 -95.8 36.4 102.0 0 0.0 0 0.0 0 0.0 0 0.0 7 38 21 21 PRO P S S S+ 0 0 -58.6 -167.5 180.0 84.8 76.8 74.9 0 0.0 0 0.0 0 0.0 0 0.0 13 37 22 22 GLY G E E BC S- 84 0 96.5 173.8 -180.0 -65.7 83.4 106.2 84 -1.4 84 -1.5 0 0.0 0 0.0 7 34 23 23 ASN N E E BC + 83 0 -106.3 128.6 179.9 148.9 62.0 152.5 0 0.0 0 0.0 0 0.0 0 0.0 8 36 24 24 TYR Y E E BC - 82 0 -146.4 177.5 -179.9 -157.2 23.5 152.9 82 -1.7 82 -1.7 0 0.0 0 0.0 10 37 25 25 THR T h > T - 0 0 -139.9 -160.9 180.0 -57.4 56.3 128.0 0 0.0 29 -2.0 0 0.0 0 0.0 12 39 26 26 ARG R H H > TS+ 0 0 -60.2 -20.5 179.9 68.4 125.7 40.8 0 0.0 30 -2.5 0 0.0 0 0.0 12 33 27 27 ALA A H H > TS+ 0 0 -62.6 -63.6 -179.9 36.2 104.0 5.4 0 0.0 31 -1.3 0 0.0 0 0.0 7 25 28 28 GLN Q H H > > TS+ 0 0 -56.3 -45.0 179.9 54.1 117.7 20.7 0 0.0 32 -1.4 0 0.0 31 -1.0 8 28 29 29 LEU L H H X 3 TS+ 0 0 -56.2 -41.4 179.9 61.9 99.0 24.5 25 -2.0 33 -1.7 0 0.0 0 0.0 12 39 30 30 ALA A H H < 3 TS+ 0 0 -52.9 -34.2 179.9 54.1 101.6 29.3 26 -2.5 0 0.0 0 0.0 0 0.0 9 22 31 31 ALA A H H < < TS+ 0 0 -67.5 -38.0 179.9 38.9 115.3 26.9 27 -1.3 0 0.0 28 -1.0 0 0.0 6 18 32 32 LEU L H H < TS- 0 0 -75.1 -73.3 180.0 -118.6 105.9 10.2 28 -1.4 0 0.0 0 0.0 0 0.0 6 23 33 33 GLY G S h < TS+ 0 0 158.5 -35.2 -179.9 99.2 76.5 87.5 29 -1.7 0 0.0 0 0.0 0 0.0 6 26 34 34 ILE I + 0 0 -80.4 142.6 -179.9 140.8 44.7 123.8 0 0.0 0 0.0 0 0.0 0 0.0 7 39 35 35 GLU E + 0 0 -170.2 165.6 179.9 16.0 42.1 169.1 0 0.0 0 0.0 0 0.0 0 0.0 10 42 36 36 ASN N S S S+ 0 0 62.9 -137.7 -179.7 8.1 119.1 109.8 79 -0.7 38 -1.2 0 0.0 0 0.0 9 40 37 37 ASN N S S S+ 0 0 -80.4 98.5 179.9 94.3 99.0 128.5 0 0.0 0 0.0 0 0.0 0 0.0 10 41 38 38 THR T + 0 0 -154.7 -24.5 180.0 88.6 50.5 65.7 36 -1.2 40 -1.7 0 0.0 0 0.0 13 50 39 39 ILE I + 0 0 -78.1 44.1 180.0 153.5 48.0 96.3 0 0.0 0 0.0 0 0.0 0 0.0 11 59 40 40 SER S + 0 0 -38.5 -50.6 179.9 13.7 67.8 30.3 38 -1.7 0 0.0 7 -0.6 0 0.0 16 46 41 41 SER S E E AB S- 7 0 -123.2 175.8 -179.9 -149.6 72.6 135.7 7 -1.2 7 -1.6 0 0.0 0 0.0 16 58 42 42 VAL V E E ABD - 6 69 -152.1 144.7 179.8 -167.1 11.8 174.9 69 -2.3 69 -0.6 0 0.0 0 0.0 14 66 43 43 LYS K E E ABD + 5 68 -132.9 95.4 -179.7 166.0 19.6 146.8 5 -1.9 5 -1.5 0 0.0 0 0.0 11 58 44 44 VAL V e - 0 0 -116.9 110.8 179.8 -151.5 20.9 156.5 67 -1.2 0 0.0 0 0.0 0 0.0 15 55 45 45 PRO P t > T - 0 0 -70.7 168.6 179.9 -85.4 32.8 100.2 0 0.0 48 -0.7 0 0.0 0 0.0 10 47 46 46 PRO P T T 3 TS+ 0 0 -62.7 -178.4 179.8 63.1 103.4 84.2 0 0.0 0 0.0 0 0.0 0 0.0 11 42 47 47 GLY G T e 3 TS+ 0 0 83.6 -21.2 180.0 58.3 104.2 79.1 0 0.0 87 -2.8 0 0.0 0 0.0 10 32 48 48 VAL V E E BE < T - 86 0 -145.9 133.5 180.0 -148.8 69.5 170.0 45 -0.7 0 0.0 0 0.0 0 0.0 15 41 49 49 LYS K E E BE - 85 0 -102.4 136.9 -179.9 -156.6 15.7 146.7 85 -1.8 85 -2.1 0 0.0 0 0.0 13 46 50 50 ALA A E E BEF - 84 65 -114.1 150.4 179.9 -167.2 8.0 147.3 65 -3.0 65 -3.0 0 0.0 0 0.0 14 52 51 51 ILE I E E BEF - 83 64 -137.0 114.3 -179.8 -155.4 10.2 160.5 83 -1.6 83 -2.5 0 0.0 0 0.0 11 55 52 52 LEU L E E BEF - 82 63 -90.0 155.7 180.0 -160.2 2.2 123.3 63 -0.8 63 -2.3 0 0.0 0 0.0 12 62 53 53 TYR Y E E BEF - 81 62 -138.1 112.0 -179.9 -154.2 8.3 158.2 81 -2.8 81 -1.7 0 0.0 80 -0.8 16 44 54 54 GLN Q S e S+ 0 0 -46.0 -84.5 -179.9 47.9 81.7 19.5 61 -2.5 81 -0.7 0 0.0 0 0.0 14 38 55 55 ASN N S t > TS- 0 0 -59.9 146.0 180.0 -103.4 100.2 105.2 0 0.0 59 -2.5 0 0.0 0 0.0 12 33 56 56 ASP D T T 4 TS+ 0 0 -58.0 -177.2 180.0 53.3 103.3 83.7 0 0.0 0 0.0 0 0.0 0 0.0 12 35 57 57 GLY G T T 4 TS- 0 0 57.0 27.2 180.0 -68.7 135.9 35.8 0 0.0 0 0.0 0 0.0 0 0.0 7 28 58 58 PHE F T T 4 TS+ 0 0 56.5 57.3 -180.0 124.3 104.4 13.7 0 0.0 0 0.0 0 0.0 0 0.0 13 32 59 59 ALA A t < T + 0 0 -136.9 179.1 -180.0 46.7 31.4 143.1 55 -2.5 0 0.0 0 0.0 0 0.0 10 25 60 60 GLY G S S S- 0 0 74.6 175.7 180.0 -8.8 107.0 92.9 0 0.0 0 0.0 0 0.0 0 0.0 8 28 61 61 ASP D S e S- 0 0 -43.9 125.0 -180.0 -154.2 77.8 98.7 0 0.0 54 -2.5 0 0.0 0 0.0 8 29 62 62 GLN Q E E BF - 53 0 -109.1 150.7 179.9 -161.2 9.2 143.3 0 0.0 0 0.0 0 0.0 0 0.0 10 36 63 63 ILE I E E BF - 52 0 -125.1 164.0 179.9 -154.2 3.4 146.2 52 -2.3 52 -0.8 0 0.0 0 0.0 8 50 64 64 GLU E E E BF + 51 0 -141.9 131.4 -179.9 158.7 20.6 172.4 0 0.0 0 0.0 0 0.0 0 0.0 8 55 65 65 VAL V E E BF + 50 0 -149.6 162.7 179.9 176.5 27.7 167.6 50 -3.0 50 -3.0 0 0.0 0 0.0 11 58 66 66 VAL V S S S+ 0 0 -141.1 -12.1 179.8 43.7 78.3 69.2 0 0.0 0 0.0 0 0.0 0 0.0 11 53 67 67 ALA A S e S- 0 0 -117.7 -156.7 180.0 -55.4 107.3 106.8 0 0.0 44 -1.2 0 0.0 69 -0.7 12 58 68 68 ASN N E E AD - 43 0 -93.7 116.3 180.0 -152.1 47.0 142.6 0 0.0 70 -0.7 0 0.0 0 0.0 14 58 69 69 ALA A E E AD - 42 0 -89.5 116.1 -179.9 -176.8 13.2 139.7 67 -0.7 42 -2.3 42 -0.6 0 0.0 14 57 70 70 GLU E S S S+ 0 0 -73.8 -75.8 -179.9 17.9 84.4 9.7 68 -0.7 12 -0.6 0 0.0 0 0.0 14 56 71 71 GLU E S S S- 0 0 -73.1 -9.9 180.0 -160.0 89.4 52.9 0 0.0 73 -2.2 0 0.0 0 0.0 14 50 72 72 LEU L - 0 0 66.7 -81.9 -180.0 -70.9 43.8 113.6 0 0.0 0 0.0 0 0.0 0 0.0 11 56 73 73 GLY G g > T - 0 0 175.5 -178.5 -179.9 -75.3 46.3 169.6 71 -2.2 76 -0.9 0 0.0 0 0.0 9 48 74 74 PRO P G G > TS+ 0 0 -70.4 -35.0 -179.9 61.9 119.4 33.4 0 0.0 77 -0.7 0 0.0 0 0.0 5 36 75 75 LEU L G G > T + 0 0 -77.5 16.0 179.9 111.8 66.9 74.0 0 0.0 78 -1.8 0 0.0 0 0.0 8 40 76 76 ASN N G G < T + 0 0 -65.9 -2.3 -180.0 79.2 59.8 55.8 73 -0.9 0 0.0 0 0.0 0 0.0 11 46 77 77 ASN N G G < TS+ 0 0 -84.9 4.1 -180.0 23.3 104.6 65.7 74 -0.7 0 0.0 0 0.0 0 0.0 9 33 78 78 ASN N g < T + 0 0 -170.3 122.4 180.0 155.1 68.1 141.5 75 -1.8 0 0.0 0 0.0 0 0.0 10 40 79 79 VAL V + 0 0 -147.3 160.2 180.0 131.8 15.6 167.4 0 0.0 36 -0.7 0 0.0 0 0.0 16 50 80 80 SER S + 0 0 -175.3 -41.0 -179.9 69.6 60.5 77.9 53 -0.8 0 0.0 0 0.0 0 0.0 14 49 81 81 SER S E E B E + 0 53 -101.6 138.5 -180.0 165.0 54.2 143.8 53 -1.7 53 -2.8 54 -0.7 0 0.0 16 48 82 82 ILE I E E BCE - 24 52 -146.1 160.4 -179.9 -161.4 19.0 166.4 24 -1.7 24 -1.7 0 0.0 0 0.0 12 58 83 83 ARG R E E BCE + 23 51 -150.2 119.2 179.9 177.9 9.0 155.5 51 -2.5 51 -1.6 0 0.0 0 0.0 13 46 84 84 VAL V E E BCE - 22 50 -123.7 137.6 180.0 -175.5 3.1 165.0 22 -1.5 22 -1.4 0 0.0 0 0.0 11 43 85 85 ILE I E E B E - 0 49 -135.1 128.9 -180.0 -98.8 37.4 172.4 49 -2.1 49 -1.8 0 0.0 0 0.0 9 32 86 86 SER S E E B E - 0 48 -41.8 136.4 -180.0 -167.5 45.5 93.9 0 0.0 0 0.0 0 0.0 0 0.0 8 29 87 87 VAL V e - 0 0 -133.5 148.8 -180.0 -89.9 28.8 165.6 47 -2.8 0 0.0 0 0.0 0 0.0 8 30 88 88 PRO P - 0 0 -54.5 139.8 -179.9 -109.5 48.9 103.0 0 0.0 0 0.0 0 0.0 0 0.0 6 22 89 89 VAL V + 0 0 -77.1 133.3 180.0 174.1 43.9 124.1 0 0.0 0 0.0 0 0.0 0 0.0 7 28 90 90 GLN Q - 0 0 -137.6 153.3 179.9 -105.8 31.6 164.1 0 0.0 0 0.0 0 0.0 0 0.0 8 29 91 91 PRO P + 0 0 -59.4 -162.9 -180.0 176.1 41.5 74.3 0 0.0 0 0.0 0 0.0 0 0.0 9 31 92 92 ARG R - 0 0 -177.6 -161.6 179.8 -96.3 22.8 159.1 0 0.0 136 -1.5 0 0.0 135 -0.8 13 46 93 93 ALA A E E CG - 108 0 -135.0 176.0 -179.9 -139.2 20.4 144.7 108 -1.0 108 -1.1 0 0.0 0 0.0 16 52 94 94 ARG R E E CG - 107 0 -147.1 128.1 180.0 -168.3 9.1 164.6 0 0.0 132 -2.8 0 0.0 0 0.0 12 60 95 95 PHE F E E CGA - 106 131 -116.2 133.2 180.0 -149.6 12.5 160.3 106 -2.8 106 -2.2 0 0.0 0 0.0 13 60 96 96 PHE F - 0 0 -90.1 -179.2 180.0 -136.0 8.6 106.3 130 -2.6 0 0.0 0 0.0 0 0.0 18 42 97 97 TYR Y S S S+ 0 0 -101.5 -80.8 -180.0 50.2 78.1 36.8 103 -0.9 0 0.0 0 0.0 0 0.0 13 38 98 98 LYS K S t > TS- 0 0 -59.7 149.8 -179.9 -92.8 101.2 103.1 0 0.0 100 -1.4 0 0.0 102 -0.8 13 29 99 99 GLU E T T 4 TS+ 0 0 -69.7 94.8 -180.0 43.1 116.1 120.8 0 0.0 0 0.0 0 0.0 0 0.0 13 31 100 100 GLN Q T T 4 TS- 0 0 134.2 49.7 -179.9 -83.1 123.7 61.1 98 -1.4 0 0.0 0 0.0 0 0.0 12 25 101 101 PHE F T T 4 TS+ 0 0 32.2 33.0 -179.9 124.0 99.2 40.9 0 0.0 0 0.0 0 0.0 0 0.0 12 29 102 102 ASP D t < T + 0 0 -110.5 38.4 -180.0 67.8 53.4 98.9 98 -0.8 0 0.0 0 0.0 0 0.0 8 23 103 103 GLY G S S S- 0 0 -154.6 151.3 -180.0 -64.6 98.0 174.4 0 0.0 97 -0.9 0 0.0 0 0.0 9 30 104 104 LYS K - 0 0 -33.0 139.7 -179.8 -133.8 57.6 85.3 0 0.0 0 0.0 0 0.0 0 0.0 7 33 105 105 GLU E - 0 0 -104.4 160.0 180.0 -160.0 15.8 131.9 0 0.0 0 0.0 0 0.0 0 0.0 9 46 106 106 VAL V E E CG - 95 0 -139.1 134.0 -179.8 -147.5 8.0 177.0 95 -2.2 95 -2.8 0 0.0 0 0.0 10 56 107 107 ASP D E E CG - 94 0 -103.2 155.4 180.0 -169.3 9.3 134.6 0 0.0 0 0.0 0 0.0 0 0.0 11 61 108 108 LEU L E E CG - 93 0 -145.8 122.4 179.9 -131.0 17.8 162.8 93 -1.1 93 -1.0 0 0.0 0 0.0 11 60 109 109 PRO P - 0 0 -65.2 166.8 -179.9 -72.0 46.7 98.0 0 0.0 0 0.0 0 0.0 0 0.0 12 50 110 110 PRO P S S S+ 0 0 -58.0 150.8 179.9 72.2 88.3 99.1 0 0.0 0 0.0 0 0.0 0 0.0 12 45 111 111 GLY G E E DH S- 172 0 134.5 -175.7 179.9 -63.7 79.0 144.8 172 -1.5 172 -2.6 0 0.0 0 0.0 7 39 112 112 GLN Q E E DH - 171 0 -109.3 156.4 180.0 -167.6 40.8 140.2 0 0.0 0 0.0 0 0.0 0 0.0 8 41 113 113 TYR Y E E DH - 170 0 -143.4 152.3 -179.9 -144.4 9.0 172.1 170 -2.3 170 -1.2 0 0.0 0 0.0 10 43 114 114 THR T - 0 0 -93.0 -148.8 -180.0 -90.5 39.7 81.0 0 0.0 0 0.0 0 0.0 0 0.0 12 37 115 115 GLN Q S S S+ 0 0 -108.5 -2.8 -179.9 50.0 115.2 64.3 0 0.0 0 0.0 0 0.0 0 0.0 11 36 116 116 ALA A S t > TS+ 0 0 -99.6 -62.5 -179.8 26.7 118.1 27.7 0 0.0 120 -1.7 0 0.0 0 0.0 6 36 117 117 GLU E T T 4 TS+ 0 0 -67.0 -51.8 -180.0 64.4 114.4 14.8 0 0.0 0 0.0 0 0.0 0 0.0 9 47 118 118 LEU L T h > > TS+ 0 0 -34.5 -70.7 180.0 37.9 109.2 27.2 0 0.0 121 -2.3 0 0.0 122 -1.3 13 53 119 119 GLU E H H > > TS+ 0 0 -49.1 -61.5 -179.8 40.2 124.2 16.2 0 0.0 122 -1.2 0 0.0 123 -0.8 11 48 120 120 ARG R H H < 3 TS+ 0 0 -75.8 20.7 179.9 58.5 114.9 77.6 116 -1.7 0 0.0 0 0.0 0 0.0 13 44 121 121 TYR Y H H 4 < TS- 0 0 -122.0 -15.6 -180.0 -9.0 131.5 58.7 118 -2.3 0 0.0 0 0.0 0 0.0 14 61 122 122 GLY G H H < < TS- 0 0 -149.7 -41.2 -179.9 -19.6 129.7 64.3 118 -1.3 0 0.0 119 -1.2 0 0.0 14 61 123 123 ILE I S h < TS- 0 0 -139.1 -106.6 179.9 -106.5 74.9 85.3 119 -0.8 0 0.0 0 0.0 0 0.0 13 53 124 124 ASP D - 0 0 -172.4 -158.8 -179.8 -48.2 50.6 153.6 0 0.0 0 0.0 0 0.0 0 0.0 11 44 125 125 ASN N S S S+ 0 0 -58.1 -81.0 -180.0 1.2 119.0 11.6 0 0.0 127 -0.6 0 0.0 0 0.0 9 39 126 126 ASN N S S S+ 0 0 -115.8 117.8 -179.9 85.6 99.8 160.3 0 0.0 0 0.0 0 0.0 0 0.0 6 43 127 127 THR T + 0 0 174.0 -0.9 -180.0 97.5 57.2 72.7 125 -0.6 0 0.0 0 0.0 0 0.0 8 44 128 128 ILE I + 0 0 -67.9 -82.6 179.9 139.4 41.2 11.4 0 0.0 0 0.0 0 0.0 0 0.0 13 55 129 129 SER S + 0 0 76.4 -136.6 -179.8 49.5 52.7 122.2 0 0.0 0 0.0 0 0.0 0 0.0 14 50 130 130 SER S S S S- 0 0 -38.5 129.0 179.9 -164.8 74.1 91.5 0 0.0 96 -2.6 0 0.0 0 0.0 16 45 131 131 VAL V B B AB - 95 157 -121.0 158.7 -179.9 -176.2 17.3 147.8 157 -2.9 157 -1.5 0 0.0 0 0.0 14 54 132 132 LYS K - 0 0 -158.0 97.6 -179.9 -145.5 17.9 133.8 94 -2.8 0 0.0 0 0.0 0 0.0 12 47 133 133 PRO P - 0 0 -67.6 123.0 -179.9 -158.9 3.5 119.3 0 0.0 0 0.0 0 0.0 0 0.0 13 41 134 134 GLN Q S S S- 0 0 -81.3 -1.7 -179.9 -28.0 81.6 60.6 0 0.0 0 0.0 0 0.0 0 0.0 8 35 135 135 GLY G S S S+ 0 0 -176.2 -46.7 -179.9 55.8 123.2 79.5 92 -0.8 0 0.0 0 0.0 0 0.0 7 29 136 136 LEU L S S S- 0 0 -99.1 178.8 179.9 -96.1 83.8 113.7 92 -1.5 0 0.0 0 0.0 0 0.0 11 32 137 137 ALA A E E DI - 173 0 -98.3 138.0 -179.8 -142.6 33.6 143.4 173 -3.2 173 -1.9 0 0.0 0 0.0 12 36 138 138 VAL V E E DIJ - 172 153 -101.1 145.4 180.0 -167.9 12.3 139.4 153 -1.7 153 -2.0 0 0.0 0 0.0 14 48 139 139 VAL V E E DIJ - 171 152 -134.1 121.2 -179.9 -156.7 5.8 167.5 171 -0.8 171 -1.9 0 0.0 0 0.0 13 54 140 140 LEU L E E DIJ - 170 151 -99.9 140.3 179.9 -157.7 4.3 141.5 151 -1.4 151 -2.8 0 0.0 0 0.0 14 58 141 141 PHE F E E DIJ - 169 150 -118.6 128.9 -180.0 -155.6 7.0 163.6 169 -3.0 168 -1.7 0 0.0 169 -1.5 17 41 142 142 LYS K S e S+ 0 0 -63.0 -77.0 -180.0 45.0 77.9 6.1 149 -2.2 0 0.0 0 0.0 0 0.0 15 37 143 143 ASN N S S S- 0 0 -56.9 -178.9 -179.9 -83.6 103.3 84.0 147 -0.9 169 -0.8 0 0.0 0 0.0 11 30 144 144 ASP D S t > TS+ 0 0 -64.5 -144.3 -179.9 31.7 106.9 61.5 0 0.0 147 -1.8 0 0.0 0 0.0 11 30 145 145 ASN N T T 3 TS- 0 0 -13.4 73.8 179.9 -63.5 133.0 70.4 0 0.0 0 0.0 0 0.0 0 0.0 9 27 146 146 PHE F T T 3 TS+ 0 0 31.8 64.5 180.0 130.2 104.7 30.8 0 0.0 0 0.0 0 0.0 0 0.0 13 30 147 147 SER S t < T + 0 0 -135.4 174.6 -180.0 29.8 36.6 146.2 144 -1.8 143 -0.9 0 0.0 0 0.0 9 25 148 148 GLY G S S S- 0 0 70.6 -163.5 -180.0 -8.9 108.6 104.6 0 0.0 0 0.0 0 0.0 0 0.0 8 23 149 149 ASP D S e S- 0 0 -59.8 165.3 -180.0 -157.2 72.9 96.0 0 0.0 142 -2.2 0 0.0 0 0.0 7 23 150 150 THR T E E DJ - 141 0 -148.0 156.5 180.0 -147.1 21.9 171.6 0 0.0 0 0.0 0 0.0 0 0.0 10 32 151 151 LEU L E E DJ - 140 0 -125.8 78.9 -179.9 -159.7 19.4 134.6 140 -2.8 140 -1.4 0 0.0 153 -0.7 7 40 152 152 PRO P E E DJ - 139 0 -61.6 103.3 179.9 -158.4 3.7 114.9 0 0.0 154 -1.6 0 0.0 0 0.0 8 36 153 153 VAL V E E DJ + 138 0 -87.0 83.3 -179.9 164.5 23.9 127.2 138 -2.0 138 -1.7 151 -0.7 0 0.0 10 41 154 154 ASN N + 0 0 -84.5 20.0 -180.0 15.5 65.3 79.0 152 -1.6 0 0.0 0 0.0 0 0.0 7 31 155 155 SER S S S S- 0 0 -170.4 -178.1 -180.0 -42.5 103.2 167.1 0 0.0 0 0.0 0 0.0 0 0.0 8 27 156 156 ASP D + 0 0 -60.8 145.2 179.9 170.5 44.6 105.5 0 0.0 0 0.0 0 0.0 0 0.0 8 32 157 157 ALA A B B B + 131 0 -157.2 64.0 -179.9 169.9 8.6 108.8 131 -1.5 131 -2.9 0 0.0 159 -0.6 9 37 158 158 PRO P S S S+ 0 0 -65.6 23.4 179.9 47.2 75.7 80.7 0 0.0 0 0.0 0 0.0 0 0.0 10 34 159 159 THR T + 0 0 -170.0 96.6 179.8 119.0 57.8 121.7 157 -0.6 0 0.0 0 0.0 0 0.0 10 30 160 160 LEU L + 0 0 -123.8 -53.6 179.9 134.4 27.9 50.2 0 0.0 0 0.0 0 0.0 0 0.0 11 38 161 161 GLY G S S S+ 0 0 35.9 -120.0 -179.9 32.9 74.4 91.3 0 0.0 163 -1.0 0 0.0 0 0.0 10 33 162 162 ALA A S S S+ 0 0 -65.1 101.1 179.9 102.6 90.4 117.3 0 0.0 0 0.0 0 0.0 0 0.0 6 26 163 163 MET M S S S+ 0 0 -142.1 -68.4 179.9 6.8 82.9 67.7 161 -1.0 0 0.0 0 0.0 0 0.0 5 29 164 164 ASN N S S S- 0 0 -91.3 -108.4 179.9 -103.4 85.8 47.5 0 0.0 0 0.0 0 0.0 0 0.0 6 33 165 165 ASN N S S S- 0 0 -153.6 -43.3 180.0 -18.7 83.6 68.5 0 0.0 0 0.0 0 0.0 0 0.0 6 29 166 166 ASN N - 0 0 -179.2 95.4 -179.9 -126.6 61.1 114.6 0 0.0 0 0.0 0 0.0 0 0.0 7 39 167 167 THR T + 0 0 -50.3 116.7 180.0 170.0 34.6 104.7 0 0.0 0 0.0 0 0.0 0 0.0 12 51 168 168 SER S + 0 0 -95.8 -62.0 179.9 13.2 60.3 26.4 141 -1.7 0 0.0 0 0.0 0 0.0 13 42 169 169 SER S E E D I - 0 141 -114.8 161.3 -180.0 -172.9 67.5 140.3 141 -1.5 141 -3.0 143 -0.8 0 0.0 16 47 170 170 ILE I E E DHI - 113 140 -144.8 174.6 179.8 -154.9 13.9 153.7 113 -1.2 113 -2.3 0 0.0 0 0.0 14 58 171 171 ARG R E E DHI - 112 139 -158.7 112.6 180.0 -150.8 9.6 145.2 139 -1.9 173 -1.0 0 0.0 139 -0.8 13 50 172 172 ILE I E E DHI 111 138 -88.4 103.4 179.9 999.9 999.9 138.0 111 -2.6 111 -1.5 0 0.0 0 0.0 14 44 173 173 SER S E E D I 0 137 -90.6 999.9 999.9 999.9 999.9 138.6 137 -1.9 137 -3.2 171 -1.0 0 0.0 8 34 1prr-.pdb 1PRR BINDING PROTEIN DEVELOPMENT-SPECIFIC PROTEIN S (SPORE COAT PROTEIN (MYXOCOCCUS XANTHUS) author author Kabs/Sand EEEESSSTT S EEEE SEEE HHHHHHHS SS EEE TTEEEEEESSTTT SSEEEESSEESS GGGG EEEEEE EEE SSTT Kabs/Sand chirality +-----+-+-++-------+-+--++++++-++++++++--+--++------+-+-++----+++---+---++++++++-+-----+-+-----+-+- chirality bends SSSSS S SS SSSSSSSS SS S SS SSSSS SS SS SS S S SSSS bends turns TTTT TTTTTTTTT TTTT TTTTT TTTTTT TTT turns 5-turns 5-turns 3-turns >33< >33< >33< >>><<< 3-turns bridge-2 BBB DD FFFF EEEEEE A bridge-2 bridge-1 AAAA AAAA CCC BBB EEEEEE FFFF DD CCC GGG bridge-1 sheets AAAA AAAA BBB AAA BBBBBB BBBB AA BBBBBB CCC sheets 4-turns >>>>X<<<< >444< >44 4-turns summary EEEEeStTTtSeEEEE SEEEhHHHHHHHh SS EEEetTeEEEEEEetTTTtSeEEEESeEESS gGGGGg EEEEEEe EEE StTT summary sequence MANITVFYNEDFQGKQVDLPPGNYTRAQLAALGIENNTISSVKVPPGVKAILYQNDGFAGDQIEVVANAEELGPLNNNVSSIRVISVPVQPRARFFYKEQ sequence 10 20 30 40 50 60 70 80 90 100 author author Kabs/Sand T S EEE SEEE SSTTHHHHS SS SB SSSEEEEESSSTT SSEEEE S BS SSSSS EEEEE Kabs/Sand chirality ++-------+----++++++----+++++-----+------+-+-++-----++-++++++++---++--- chirality bends S S SS SSSSSSSSS SS S SSS SSSSS SS S S SSSSS bends turns TT TTTTTTTT TTTT turns 5-turns 5-turns 3-turns >>3<< >33< 3-turns bridge-2 B JJJJ IIIII bridge-2 bridge-1 GGG HHH A IIIII JJJJ B HHH bridge-1 sheets CCC DDD DDDDD DDDD DDDDD sheets 4-turns 4< >4>><4<< 4-turns summary TtS EEE SEEE StThHHHHh SS SB SSSEEEEEeStTTtSeEEEE S BS SSSSS EEEEE summary sequence FDGKEVDLPPGQYTQAELERYGIDNNTISSVKPQGLAVVLFKNDNFSGDTLPVNSDAPTLGAMNNNTSSIRIS sequence 110 120 130 140 150 160 170