Secondary structure calculation program - copyright by David Keith Smith, 1989 1iarB.pdb 1IAR CYTOKINE/RECEPTOR MOL_ID: 1; MOL_ID: 1; Sequence length - 188 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 B 1 PHE F 0 0 999.9 -160.7 178.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 31 2 B 2 LYS K e - 0 0 -132.9 144.7 179.1 -133.3 999.9 168.6 0 0.0 24 -2.2 0 0.0 4 -0.7 6 31 3 B 3 VAL V E E AA - 23 0 -99.0 112.9 178.9 -176.6 19.9 153.7 0 0.0 0 0.0 0 0.0 0 0.0 11 40 4 B 4 LEU L E E A* S+ 0 0 -71.9 -50.9 -179.6 34.1 76.3 23.2 22 -2.3 6 -0.5 2 -0.7 0 0.0 8 26 5 B 5 GLN Q E E AA S- 22 0 -112.6 118.7 178.0 -127.7 89.9 165.4 22 -2.4 22 -2.0 0 0.0 0 0.0 7 30 6 B 6 GLU E E E A* - 0 0 -57.6 148.5 -179.9 -82.8 45.0 105.4 4 -0.5 0 0.0 0 0.0 0 0.0 8 35 7 B 7 PRO P E E A* - 0 0 -61.4 132.6 178.0 -167.8 46.8 110.1 0 0.0 0 0.0 0 0.0 0 0.0 8 51 8 B 8 THR T E E AA - 20 0 -119.9 132.6 -178.3 -168.2 10.4 170.5 20 -2.2 20 -2.0 0 0.0 0 0.0 7 43 9 B 9 CYS C E E AA - 19 0 -125.7 157.8 176.7 -164.9 15.5 149.7 0 0.0 0 0.0 0 0.0 0 0.0 10 49 10 B 10 VAL V E E AA - 18 0 -133.7 153.5 -179.1 -145.9 14.6 160.4 18 -2.3 18 -2.5 0 0.0 0 0.0 11 46 11 B 11 SER S E E AAa - 17 96 -127.8 137.0 178.3 -154.1 17.6 167.6 95 -2.6 97 -2.4 0 0.0 0 0.0 14 55 12 B 12 ASP D e - 0 0 -84.2 3.1 178.5 -128.9 43.7 66.6 16 -2.4 0 0.0 0 0.0 0 0.0 11 55 13 B 13 TYR Y S S S+ 0 0 56.7 29.9 -179.0 66.3 90.6 42.3 0 0.0 0 0.0 0 0.0 0 0.0 14 58 14 B 14 MET M S S S- 0 0 -137.0 -72.2 -178.3 -32.2 120.9 65.8 0 0.0 0 0.0 0 0.0 0 0.0 11 46 15 B 15 SER S S e S+ 0 0 -139.9 -3.6 -178.4 61.5 110.8 63.2 0 0.0 65 -1.7 0 0.0 0 0.0 10 41 16 B 16 ILE I E E A B - 0 64 -135.9 142.2 176.0 -176.7 42.0 170.8 0 0.0 12 -2.4 0 0.0 0 0.0 11 45 17 B 17 SER S E E AAB - 11 63 -130.8 129.2 -179.4 -154.9 17.6 176.0 63 -2.6 63 -3.6 0 0.0 0 0.0 14 52 18 B 18 THR T E E AAB - 10 62 -113.9 129.8 178.7 -175.1 11.2 161.1 10 -2.5 10 -2.3 0 0.0 0 0.0 11 48 19 B 19 CYS C E E AAB - 9 61 -117.3 153.4 177.4 -172.1 0.7 150.5 61 -2.7 61 -2.7 0 0.0 0 0.0 12 56 20 B 20 GLU E E E AAB + 8 60 -144.7 147.7 178.4 166.4 8.0 172.8 8 -2.0 8 -2.2 0 0.0 0 0.0 11 50 21 B 21 TRP W E E A*B - 0 59 -150.2 175.6 178.9 -127.2 25.5 158.5 59 -2.2 59 -2.1 0 0.0 0 0.0 13 53 22 B 22 LYS K E E AAB - 5 58 -136.0 127.3 178.3 -167.8 15.2 171.2 5 -2.0 5 -2.4 0 0.0 4 -2.3 12 40 23 B 23 MET M E E AA - 3 0 -105.2 158.3 179.2 -105.7 32.4 135.1 57 -2.5 25 -0.5 0 0.0 0 0.0 14 40 24 B 24 ASN N S e S+ 0 0 -90.0 127.6 -178.4 14.2 87.0 139.8 2 -2.2 0 0.0 0 0.0 0 0.0 9 28 25 B 25 GLY G S S S- 0 0 89.5 146.0 179.9 -46.2 110.7 79.0 23 -0.5 0 0.0 0 0.0 0 0.0 7 22 26 B 26 PRO P - 0 0 -45.9 140.0 -179.2 -179.6 63.9 95.6 0 0.0 0 0.0 0 0.0 0 0.0 7 26 27 B 27 THR T - 0 0 -147.0 140.7 175.0 -140.6 32.1 174.8 56 -2.6 29 -0.9 0 0.0 0 0.0 9 35 28 B 28 ASN N h > > T - 0 0 -101.8 92.5 -177.9 -170.5 23.9 146.2 0 0.0 32 -2.8 0 0.0 31 -1.2 10 34 29 B 29 CYS C H H > 3 TS+ 0 0 -48.7 -56.0 -178.5 55.8 76.0 26.6 27 -0.9 33 -2.1 0 0.0 0 0.0 13 42 30 B 30 SER S H H 4 3 TS+ 0 0 -56.8 -21.4 179.9 27.6 121.0 49.5 0 0.0 0 0.0 0 0.0 0 0.0 10 34 31 B 31 THR T H H 4 < TS+ 0 0 -110.8 -32.2 -178.8 39.7 127.2 43.8 28 -1.2 0 0.0 0 0.0 0 0.0 7 27 32 B 32 GLU E H H < TS+ 0 0 -87.5 -37.0 -177.2 50.6 110.5 30.8 28 -2.8 81 -0.6 0 0.0 0 0.0 9 39 33 B 33 LEU L E ET - 0 0 -124.9 173.1 -178.3 -93.4 42.3 142.2 0 0.0 72 -0.9 0 0.0 0 0.0 6 33 70 B 70 SER S T T 3 TS+ 0 0 -52.0 -49.2 -177.4 49.2 119.3 30.1 0 0.0 0 0.0 0 0.0 0 0.0 6 31 71 B 71 ALA A T T 3 TS+ 0 0 -71.9 -16.8 -177.3 121.6 83.3 47.9 0 0.0 0 0.0 0 0.0 0 0.0 6 26 72 B 72 ASP D t < T + 0 0 -57.5 132.1 179.1 178.3 35.8 102.3 69 -0.9 0 0.0 0 0.0 0 0.0 11 39 73 B 73 ASN N e - 0 0 -133.7 144.6 -179.5 -152.4 12.5 168.8 0 0.0 40 -2.8 0 0.0 0 0.0 10 41 74 B 74 TYR Y E E BCF - 39 90 -123.2 135.9 176.2 -141.8 10.0 161.0 90 -2.1 90 -2.5 0 0.0 0 0.0 11 52 75 B 75 THR T E E BCF - 38 89 -92.0 131.2 -179.9 -160.0 22.6 147.7 38 -2.6 38 -2.1 0 0.0 0 0.0 12 42 76 B 76 LEU L E E BCF - 37 88 -117.4 126.3 179.8 -175.2 10.0 166.3 88 -3.1 88 -2.8 0 0.0 0 0.0 12 51 77 B 77 ASP D E E BCF - 36 87 -125.2 113.6 177.2 -156.4 11.9 168.1 36 -2.9 36 -2.8 0 0.0 79 -0.7 12 46 78 B 78 LEU L E E BCF - 35 86 -90.2 108.5 179.4 -175.6 21.9 146.7 86 -2.6 85 -2.9 0 0.0 86 -1.0 12 55 79 B 79 TRP W E E BCF - 34 84 -108.2 147.8 176.4 -163.0 22.7 146.9 34 -2.7 34 -1.8 77 -0.7 81 -0.5 13 41 80 B 80 ALA A E E BCF> TS- 33 83 -126.2 103.1 -177.5 -55.9 73.9 163.4 83 -2.1 83 -2.4 0 0.0 82 -0.9 10 35 81 B 81 GLY G T e 3 TS- 0 0 60.5 -101.7 -180.0 -20.0 123.4 115.1 32 -0.6 0 0.0 79 -0.5 0 0.0 7 25 82 B 82 GLN Q T T 3 TS+ 0 0 -125.0 19.1 178.6 96.5 116.3 79.8 80 -0.9 84 -0.5 0 0.0 0 0.0 5 17 83 B 83 GLN Q E E BF < T - 80 0 -113.2 118.7 178.9 -138.7 68.0 162.3 80 -2.4 80 -2.1 0 0.0 85 -0.7 6 18 84 B 84 LEU L E E BF - 79 0 -75.0 113.7 -178.3 -178.1 22.4 132.1 82 -0.5 0 0.0 0 0.0 0 0.0 9 26 85 B 85 LEU L E E B* - 0 0 -87.1 -28.4 -178.0 -5.8 63.2 40.2 78 -2.9 0 0.0 83 -0.7 0 0.0 11 34 86 B 86 TRP W E E BF - 78 0 -166.0 145.6 -179.5 -163.1 55.8 159.8 78 -1.0 78 -2.6 0 0.0 0 0.0 9 36 87 B 87 LYS K E E BF + 77 0 -138.9 125.7 179.6 133.3 30.3 175.4 0 0.0 0 0.0 0 0.0 0 0.0 9 37 88 B 88 GLY G E E BF - 76 0 -153.5 -166.6 -179.1 -102.6 41.1 146.0 76 -2.8 76 -3.1 0 0.0 0 0.0 7 31 89 B 89 SER S E E BF - 75 0 -135.9 154.4 -179.2 -160.2 15.1 162.4 0 0.0 0 0.0 0 0.0 0 0.0 8 38 90 B 90 PHE F E E BF - 74 0 -140.8 124.6 179.0 -163.5 5.0 166.0 74 -2.5 74 -2.1 0 0.0 0 0.0 9 48 91 B 91 LYS K g > T - 0 0 -105.0 99.5 -179.8 -160.8 9.7 153.5 0 0.0 94 -1.5 0 0.0 0 0.0 10 43 92 B 92 PRO P G G > TS+ 0 0 -47.1 -46.7 -176.8 61.4 84.3 27.7 0 0.0 95 -2.3 0 0.0 0 0.0 14 49 93 B 93 SER S G G 3 TS+ 0 0 -61.2 -18.0 179.4 50.7 103.1 49.8 0 0.0 0 0.0 0 0.0 0 0.0 12 43 94 B 94 GLU E G G < TS+ 0 0 -99.9 0.8 -179.4 44.5 113.2 65.4 91 -1.5 0 0.0 0 0.0 0 0.0 7 37 95 B 95 HIS H S g < TS+ 0 0 -137.0 45.1 -178.6 159.2 76.7 100.3 92 -2.3 11 -2.6 0 0.0 0 0.0 10 43 96 B 96 VAL V B B a + 11 0 -77.6 128.3 175.1 173.6 14.8 123.5 0 0.0 177 -1.5 0 0.0 0 0.0 14 50 97 B 97 LYS K - 0 0 -126.6 112.6 -179.3 -127.1 35.5 171.6 11 -2.4 0 0.0 0 0.0 0 0.0 13 49 98 B 98 PRO P - 0 0 -71.6 156.3 177.5 -101.8 16.9 105.4 0 0.0 0 0.0 0 0.0 0 0.0 14 53 99 B 99 ARG R - 0 0 -63.6 148.4 -178.9 -104.0 48.1 110.8 0 0.0 0 0.0 0 0.0 0 0.0 9 51 100 B 100 ALA A - 0 0 -82.5 142.2 179.0 -113.7 29.3 122.8 0 0.0 0 0.0 0 0.0 0 0.0 11 48 101 B 101 PRO P - 0 0 -66.9 155.0 179.4 -179.1 43.6 112.5 0 0.0 0 0.0 0 0.0 0 0.0 14 52 102 B 102 GLY G E E CG + 115 0 -142.1 -170.7 179.4 65.4 47.1 138.4 115 -0.9 115 -3.1 0 0.0 0 0.0 10 37 103 B 103 ASN N E E C* + 0 0 60.8 27.0 179.4 176.1 63.6 40.7 0 0.0 105 -0.5 0 0.0 0 0.0 7 33 104 B 104 LEU L E E C* + 0 0 -68.1 114.0 177.5 161.5 6.3 121.0 0 0.0 0 0.0 0 0.0 0 0.0 15 41 105 B 105 THR T E E CG - 113 0 -131.2 163.1 -178.9 -134.4 31.6 154.0 113 -2.5 113 -2.5 103 -0.5 0 0.0 8 35 106 B 106 VAL V E E CG 112 0 -118.6 139.8 -179.2 999.9 999.9 157.7 0 0.0 0 0.0 0 0.0 0 0.0 10 36 107!B 107 HIS H E E CG 111 0 -107.0 999.9 999.9 999.9 999.9 147.5 111 -2.7 111 -1.0 0 0.0 0 0.0 5 24 108!B 112 ASP D 0 0 999.9 -150.9 -179.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 12 109 B 113 THR T - 0 0 -90.3 172.0 178.3 -140.8 999.9 112.5 0 0.0 0 0.0 0 0.0 0 0.0 6 15 110 B 114 LEU L E E C H - 0 157 -131.5 130.9 -179.1 -156.2 18.8 172.3 157 -1.6 157 -2.6 0 0.0 0 0.0 9 28 111 B 115 LEU L E E CGH - 107 156 -120.9 125.6 178.0 -170.9 9.2 163.0 107 -1.0 107 -2.7 0 0.0 0 0.0 10 34 112 B 116 LEU L E E CGH - 106 155 -108.6 141.7 179.5 -178.7 11.6 154.0 155 -2.6 155 -2.1 0 0.0 0 0.0 11 48 113 B 117 THR T E E CGH + 105 154 -143.7 145.2 -177.9 161.1 6.9 177.7 105 -2.5 105 -2.5 0 0.0 0 0.0 11 45 114 B 118 TRP W E E C* - 0 0 -151.7 174.3 -179.0 -91.8 35.5 156.1 153 -1.8 0 0.0 0 0.0 0 0.0 11 47 115 B 119 SER S E E CG - 102 0 -101.3 139.8 174.2 -125.7 25.9 139.4 102 -3.1 102 -0.9 0 0.0 0 0.0 9 45 116 B 120 ASN N - 0 0 -70.9 130.8 -179.3 -140.6 27.3 132.5 0 0.0 0 0.0 0 0.0 0 0.0 9 50 117 B 121 PRO P S S S+ 0 0 -77.4 -4.0 -178.8 73.9 75.6 54.2 0 0.0 0 0.0 0 0.0 0 0.0 8 49 118 B 122 TYR Y S S S- 0 0 -109.1 151.7 179.2 -114.0 83.4 141.4 0 0.0 0 0.0 0 0.0 0 0.0 9 43 119 B 123 PRO P t > T - 0 0 -76.5 161.9 -179.4 -100.1 38.5 113.4 0 0.0 122 -1.9 0 0.0 0 0.0 7 30 120 B 124 PRO P T T 3 TS+ 0 0 -50.4 -36.4 -178.2 53.2 119.1 38.6 0 0.0 0 0.0 0 0.0 0 0.0 5 20 121 B 125 ASP D T T 3 TS+ 0 0 -86.0 1.6 178.4 108.4 80.8 66.0 0 0.0 0 0.0 0 0.0 0 0.0 5 20 122 B 126 ASN N S t X TS- 0 0 -78.1 139.2 -180.0 -128.9 74.7 127.8 119 -1.9 125 -0.6 0 0.0 0 0.0 8 32 123 B 127 TYR Y T T 3 TS+ 0 0 -58.2 -25.4 -179.9 54.9 107.7 41.2 0 0.0 0 0.0 0 0.0 0 0.0 6 40 124 B 128 LEU L T g > > TS+ 0 0 -76.9 -36.2 -178.2 89.2 81.3 30.2 0 0.0 127 -3.5 0 0.0 128 -0.6 9 48 125 B 129 TYR Y G G 4 X TS+ 0 0 -26.1 -56.8 -177.7 36.5 95.3 43.1 122 -0.6 128 -0.7 0 0.0 0 0.0 12 42 126 B 130 ASN N G G 4 3 TS+ 0 0 -87.7 5.9 -178.9 63.5 110.4 73.0 0 0.0 0 0.0 0 0.0 0 0.0 7 34 127 B 131 HIS H G G 4 < TS+ 0 0 -110.4 1.7 -178.5 119.3 74.9 66.0 124 -3.5 0 0.0 0 0.0 0 0.0 10 44 128 B 132 LEU L g < < T - 0 0 -76.8 136.4 176.0 -169.3 40.4 116.7 125 -0.7 0 0.0 124 -0.6 0 0.0 12 51 129 B 133 THR T E E DI - 170 0 -120.4 130.5 179.8 -148.4 16.6 173.1 170 -2.4 170 -1.9 0 0.0 0 0.0 12 48 130 B 134 TYR Y E E DIJ - 169 148 -102.2 146.5 176.0 -160.4 9.0 139.0 148 -3.3 148 -2.5 0 0.0 0 0.0 14 54 131 B 135 ALA A E E DIJ - 168 147 -126.6 115.8 179.1 -162.7 9.7 171.2 168 -2.5 168 -2.2 0 0.0 133 -0.5 11 53 132 B 136 VAL V E E DIJ - 167 146 -101.2 125.8 -179.5 -157.1 4.7 152.8 146 -2.6 146 -2.4 0 0.0 0 0.0 12 53 133 B 137 ASN N E E DIJ + 166 145 -107.7 129.3 179.3 179.6 12.4 153.0 166 -3.3 166 -2.2 131 -0.5 0 0.0 11 50 134 B 138 ILE I E E DIJ + 165 144 -124.6 146.0 179.7 163.7 7.2 163.1 144 -2.4 144 -2.1 0 0.0 0 0.0 11 47 135 B 139 TRP W E E DIJ - 164 143 -162.7 145.0 -179.1 -95.6 45.9 164.3 164 -1.8 164 -2.5 0 0.0 0 0.0 12 32 136 B 140 SER S E E DI - 163 0 -69.3 116.9 -178.6 -150.8 29.1 122.0 142 -1.5 0 0.0 0 0.0 0 0.0 12 26 137 B 141 GLU E S e S+ 0 0 -49.6 -49.0 -179.8 75.7 88.7 23.4 162 -2.4 139 -2.7 0 0.0 0 0.0 9 23 138 B 142 ASN N S S S- 0 0 -68.7 71.4 179.6 -25.9 127.9 116.2 162 -0.8 0 0.0 0 0.0 0 0.0 7 19 139 B 143 ASP D S S S- 0 0 82.2 100.1 179.3 -146.7 75.8 28.7 137 -2.7 0 0.0 0 0.0 0 0.0 6 18 140 B 144 PRO P + 0 0 -62.0 -126.5 -178.7 100.6 65.6 40.9 0 0.0 142 -1.8 0 0.0 0 0.0 8 20 141 B 145 ALA A S S S+ 0 0 61.1 -25.3 178.7 83.8 79.4 81.0 0 0.0 143 -0.9 0 0.0 0 0.0 5 17 142 B 146 ASP D e + 0 0 -108.4 97.8 -179.5 134.0 68.4 153.1 140 -1.8 136 -1.5 0 0.0 0 0.0 7 19 143 B 147 PHE F E E DJ - 135 0 -139.3 172.3 176.5 -149.4 40.5 150.7 141 -0.9 0 0.0 0 0.0 0 0.0 9 27 144 B 148 ARG R E E DJ - 134 0 -143.3 150.0 177.1 -151.7 5.8 168.0 134 -2.1 134 -2.4 0 0.0 0 0.0 7 30 145 B 149 ILE I E E DJ - 133 0 -125.0 125.4 179.6 -164.4 11.1 176.0 0 0.0 0 0.0 0 0.0 0 0.0 8 33 146 B 150 TYR Y E E DJ - 132 0 -112.9 123.5 178.2 -144.8 11.0 164.0 132 -2.4 132 -2.6 0 0.0 148 -0.5 8 37 147 B 151 ASN N E E DJ - 131 0 -90.0 129.5 -179.9 -174.5 20.1 142.1 0 0.0 0 0.0 0 0.0 0 0.0 8 36 148 B 152 VAL V E E DJ - 130 0 -121.6 142.3 179.8 -123.2 19.2 159.2 130 -2.5 130 -3.3 146 -0.5 0 0.0 12 39 149 B 153 THR T - 0 0 -82.4 170.8 -179.9 -99.3 29.7 107.4 0 0.0 0 0.0 0 0.0 0 0.0 9 34 150 B 154 TYR Y S S S+ 0 0 -53.1 -43.9 -174.6 73.9 104.9 32.7 0 0.0 0 0.0 0 0.0 0 0.0 11 41 151 B 155 LEU L S S S+ 0 0 -44.5 -55.5 -177.9 21.9 103.2 37.4 0 0.0 0 0.0 0 0.0 0 0.0 5 29 152 B 156 GLU E - 0 0 -127.9 114.7 179.6 -150.8 64.4 163.8 0 0.0 154 -1.8 0 0.0 0 0.0 6 33 153 B 157 PRO P e + 0 0 -82.8 72.7 177.8 88.4 66.5 121.7 0 0.0 114 -1.8 0 0.0 0 0.0 12 45 154 B 158 SER S E E CH - 113 0 -157.9 164.8 -177.4 -153.5 55.8 163.9 152 -1.8 0 0.0 0 0.0 0 0.0 9 43 155 B 159 LEU L E E CH - 112 0 -153.3 118.0 178.1 -156.9 3.6 155.4 112 -2.1 112 -2.6 0 0.0 157 -0.6 8 43 156 B 160 ARG R E E CH - 111 0 -98.7 119.5 179.5 -175.0 17.7 152.3 0 0.0 0 0.0 0 0.0 0 0.0 8 32 157 B 161 ILE I E E CH + 110 0 -116.6 139.9 177.0 166.1 19.8 157.9 110 -2.6 110 -1.6 155 -0.6 0 0.0 7 32 158 B 162 ALA A 0 0 -108.4 -68.7 -178.0 999.9 999.9 43.3 0 0.0 0 0.0 0 0.0 0 0.0 6 19 159!B 163 ALA A 0 0 12.8 999.9 999.9 999.9 999.9 62.7 0 0.0 0 0.0 0 0.0 0 0.0 2 22 160!B 169 GLY G 0 0 999.9 10.8 179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 15 161 B 170 ILE I - 0 0 -83.5 172.4 176.0 -121.4 999.9 106.5 0 0.0 0 0.0 0 0.0 0 0.0 7 19 162 B 171 SER S e - 0 0 -115.6 136.6 -178.2 -157.2 30.3 165.1 0 0.0 137 -2.4 0 0.0 138 -0.8 10 26 163 B 172 TYR Y E E DIK - 136 187 -114.4 158.6 176.1 -149.3 8.9 141.0 187 -2.3 187 -1.8 0 0.0 0 0.0 12 37 164 B 173 ARG R E E DIK - 135 186 -120.8 152.9 179.6 -163.2 14.2 155.3 135 -2.5 135 -1.8 0 0.0 0 0.0 12 42 165 B 174 ALA A E E DIK + 134 185 -140.0 142.6 175.4 173.1 11.8 176.0 185 -2.4 185 -2.3 0 0.0 0 0.0 11 53 166 B 175 ARG R E E DI - 133 0 -137.9 163.7 180.0 -153.0 13.8 157.0 133 -2.2 133 -3.3 0 0.0 0 0.0 13 49 167 B 176 VAL V E E DI + 132 0 -143.9 137.5 176.1 172.4 13.6 178.3 0 0.0 182 -1.8 0 0.0 0 0.0 13 54 168 B 177 ARG R E E DI - 131 0 -131.9 175.9 -178.0 -153.0 14.0 146.3 131 -2.2 131 -2.5 0 0.0 0 0.0 14 54 169 B 178 ALA A E E DI - 130 0 -153.0 156.8 178.0 -175.7 11.6 171.8 0 0.0 179 -1.9 0 0.0 0 0.0 13 56 170 B 179 TRP W E E DI - 129 0 -144.7 170.1 -179.7 -127.3 24.3 152.7 129 -1.9 129 -2.4 0 0.0 0 0.0 13 50 171 B 180 ALA A g >>T - 0 0 -130.1 96.8 -179.6 -168.0 13.4 147.6 0 0.0 176 -1.4 0 0.0 174 -1.3 13 44 172 B 181 GLN Q G G >5TS+ 0 0 -46.3 -49.7 -178.2 57.7 85.6 32.1 0 0.0 175 -2.0 0 0.0 0 0.0 9 31 173 B 182 ALA A G G 35TS+ 0 0 -58.2 -30.4 179.0 43.7 110.8 38.8 0 0.0 0 0.0 0 0.0 0 0.0 6 28 174 B 183 TYR Y G G <5TS- 0 0 -96.1 6.7 178.9 -125.6 110.0 71.9 171 -1.3 0 0.0 0 0.0 0 0.0 8 37 175 B 184 ASN N T g <5T + 0 0 50.8 50.9 -177.5 173.4 50.5 24.5 172 -2.0 0 0.0 0 0.0 0 0.0 8 29 176 B 185 THR T t 33< >33< >33< >>3<< 3-turns bridge-2 a BBBBBBB DDD EE FFFFFFF bridge-2 bridge-1 A*A**AAAA AAAA*AA CCCCCCC DDD EE BBBBBBB CCCCCCC FF*FFFFF a bridge-1 sheets AAAAAAAAA AAAAAAAA BBBBBBB BBB AA AAAAAAA BBBBBBB BBBBBBBB sheets 4-turns >>44<< 4-turns summary eEEEEEEEEEeSSeEEEEEEEEeS hHHHHEEEEEEEeSSS EEE EEeSSeEEEEEEEeS tTTteEEEEEEEeTEEEEEEEEgGGGgB summary sequence FKVLQEPTCVSDYMSISTCEWKMNGPTNCSTELRLLYQLVFLLSEAHTCIPENNGGAGCVCHLLMDDVVSADNYTLDLWAGQQLLWKGSFKPSEHVKPRA sequence 10 20 30 40 50 60 70 80 90 100 author author Kabs/Sand EEEEEE EEEEEE SS TTSTTGGG EEEEEEEESSS S EEEEEE SS EEEE EEEEEEEE GGGT EEE Kabs/Sand chirality -+++- ----+---+--++-+++++-----++--+--+++-------++-+---+ ----+-+----++-+----------+ chirality bends SS SSSSSSSS SSS S SS SSS bends turns TTTTTTTTTT TTTTTT turns 5-turns >5555< 5-turns 3-turns >33X3>X3<< >>3<< 3-turns bridge-2 HHHH JJJJJJ KKK bridge-2 bridge-1 G**GGG GGG*G IIIIIIII JJJJJJ HHHH IIIIIIII KKK bridge-1 sheets CCCCCC CCCCCC DDDDDDDD DDDDDD CCCC DDDDDDDD DDD sheets 4-turns >444< 4-turns summary EEEEEE EEEEEE SStTTtTgGGGgEEEEEEEEeSS SeEEEEEE SS eEEEE eEEEEEEEEgGGGgt EEE summary sequence PGNLTVHDTLLLTWSNPYPPDNYLYNHLTYAVNIWSENDPADFRIYNVTYLEPSLRIAAGISYRARVRAWAQAYNTTWSEWSPSTKWH sequence 110 120 130 140 150 160 170 180 Messages chain break between 107(B 107 ) and 108(B 112 ) chain break between 159(B 163 ) and 160(B 169 )