Secondary structure calculation program - copyright by David Keith Smith, 1989 1c5cH.pdb 1C5C IMMUNE SYSTEM MOL_ID: 1; MOL_ID: 1; Sequence length - 215 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 H 1 GLN Q 0 0 999.9 -42.0 173.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 17 2 H 2 VAL V + 0 0 -75.0 130.4 -172.8 174.9 999.9 128.4 0 0.0 0 0.0 0 0.0 0 0.0 8 29 3 H 3 GLN Q E E AA - 25 0 -142.3 144.1 177.9 -160.5 27.0 167.5 25 -2.2 25 -2.0 0 0.0 0 0.0 9 32 4 H 4 LEU L E E AA - 24 0 -129.7 119.9 -173.2 -158.6 15.0 171.5 0 0.0 104 -0.6 0 0.0 6 -0.5 14 43 5 H 5 LEU L E E AA + 23 0 -112.8 118.2 -178.6 173.3 14.4 155.3 23 -2.6 23 -3.0 0 0.0 0 0.0 10 39 6 H 6 GLU E - 0 0 -118.5 157.2 175.3 -99.4 35.2 144.1 4 -0.5 0 0.0 0 0.0 0 0.0 13 43 7 H 7 PRO P - 0 0 -66.3 170.5 -174.7 -123.0 35.4 96.4 0 0.0 0 0.0 0 0.0 0 0.0 9 33 8 H 8 GLY G e - 0 0 -85.9 -76.2 -176.6 -17.7 67.1 15.3 0 0.0 107 -2.0 0 0.0 0 0.0 7 30 9 H 9 THR T E E Bb - 107 0 -136.3 147.7 -179.4 -165.6 54.2 168.3 0 0.0 0 0.0 0 0.0 0 0.0 8 37 10 H 10 GLU E E E Bb - 108 0 -140.5 135.7 175.2 -154.4 9.7 176.1 107 -2.7 109 -3.1 0 0.0 0 0.0 8 42 11 H 11 LEU L E E Bb + 109 0 -102.2 133.0 -178.8 176.8 22.5 150.2 0 0.0 0 0.0 0 0.0 0 0.0 8 44 12 H 12 A VAL V E E Bb - 110 0 -140.7 146.9 -179.7 -121.5 26.1 174.2 109 -2.6 111 -2.8 0 0.0 0 0.0 12 39 13 H 13 LYS K t > T - 0 0 -85.2 148.5 174.5 -90.5 42.1 123.7 0 0.0 16 -2.0 0 0.0 0 0.0 9 31 14 H 14 PRO P T T 3 TS+ 0 0 -55.3 140.1 -178.4 24.2 114.4 107.1 0 0.0 0 0.0 0 0.0 0 0.0 11 27 15 H 15 GLY G T T 3 TS+ 0 0 84.1 -10.2 177.4 105.6 104.9 78.2 86 -2.6 0 0.0 0 0.0 0 0.0 8 27 16 H 16 ALA A t < T - 0 0 -86.2 -178.5 -179.6 -121.1 66.1 101.3 13 -2.0 86 -2.4 0 0.0 0 0.0 9 28 17 H 17 A SER S - 0 0 -125.1 162.8 178.4 -149.7 11.9 147.5 0 0.0 0 0.0 0 0.0 0 0.0 10 36 18 H 18 VAL V E E A C - 0 83 -133.2 139.5 173.7 -160.7 1.4 169.7 83 -2.2 83 -2.7 0 0.0 0 0.0 8 47 19 H 19 LYS K E E A C - 0 82 -124.0 112.7 -176.8 -165.7 13.9 164.3 0 0.0 0 0.0 0 0.0 0 0.0 8 48 20 H 20 LEU L E E A C - 0 81 -99.8 142.0 -179.0 -147.1 5.6 137.8 81 -2.9 81 -2.0 0 0.0 0 0.0 10 57 21 H 21 SER S E E A C - 0 80 -108.2 155.8 174.7 -169.0 10.3 140.0 0 0.0 0 0.0 0 0.0 0 0.0 11 51 22 H 22 CYS C E E A C - 0 79 -141.3 104.1 -176.8 -160.0 10.1 150.0 79 -2.0 79 -2.8 0 0.0 24 -0.6 13 56 23 H 23 ARG R E E AAC - 5 78 -93.6 123.2 -174.1 -156.6 12.9 140.7 5 -3.0 5 -2.6 0 0.0 0 0.0 11 49 24 H 24 ALA A E E AA + 4 0 -99.4 147.2 172.8 164.1 17.8 133.3 77 -3.2 0 0.0 22 -0.6 0 0.0 13 49 25 H 25 SER S E E AA + 3 0 -154.9 162.9 173.5 48.4 45.8 169.6 3 -2.0 3 -2.2 0 0.0 0 0.0 11 36 26 H 26 GLY G S S S+ 0 0 88.6 8.6 -179.7 48.0 103.9 60.3 0 0.0 0 0.0 0 0.0 0 0.0 7 25 27 H 27 TYR Y S S S- 0 0 -161.6 170.9 -179.7 -70.5 101.9 162.4 0 0.0 29 -0.8 0 0.0 0 0.0 6 31 28 H 28 SER S g > T - 0 0 -79.5 112.4 -172.5 -150.7 42.0 128.3 0 0.0 31 -2.0 0 0.0 0 0.0 7 30 29 H 29 PHE F G G > TS+ 0 0 -53.2 -38.2 -173.1 50.7 91.7 35.3 27 -0.8 32 -0.9 0 0.0 0 0.0 10 40 30 H 30 THR T G G 3 TS+ 0 0 -81.1 -7.2 -176.9 74.1 96.4 53.6 0 0.0 54 -0.5 0 0.0 0 0.0 9 36 31 H 31 SER S G G < TS+ 0 0 -81.9 -11.7 -179.7 47.8 94.5 59.0 28 -2.0 0 0.0 0 0.0 0 0.0 7 31 32 H 32 TYR Y S g < TS- 0 0 -136.0 134.7 172.3 -114.6 82.5 177.8 29 -0.9 0 0.0 0 0.0 0 0.0 10 40 33 H 33 TRP W - 0 0 -56.8 141.1 176.7 -137.5 28.9 111.3 0 0.0 35 -0.5 0 0.0 0 0.0 11 49 34 H 34 MET M E E BD - 51 0 -109.4 120.7 -176.3 -168.5 23.3 159.5 51 -2.8 51 -2.0 0 0.0 0 0.0 12 59 35 H 35 HIS H E E BDE - 50 97 -106.3 156.3 172.6 -144.6 12.9 134.9 97 -3.4 97 -1.9 33 -0.5 0 0.0 12 60 36 H 36 TRP W E E BDE - 49 96 -123.1 138.1 -175.7 -172.8 16.0 170.7 49 -2.6 48 -2.9 0 0.0 49 -1.0 13 67 37 H 37 VAL V E E BDE - 47 95 -132.1 140.0 -178.9 -150.5 8.6 167.0 95 -2.5 95 -2.9 0 0.0 0 0.0 13 55 38 H 38 LYS K E E BDE - 46 94 -115.9 142.9 176.3 -174.8 9.5 150.8 46 -2.9 46 -2.3 0 0.0 0 0.0 12 49 39 H 39 GLN Q E E BDE - 45 93 -141.9 107.5 175.4 -151.0 13.5 151.1 93 -1.9 93 -2.7 0 0.0 0 0.0 12 35 40 H 40 ARG R e > T - 0 0 -69.0 149.1 -179.5 -75.6 49.8 111.0 44 -0.5 43 -2.6 0 0.0 0 0.0 12 30 41 H 41 PRO P T T 3 TS- 0 0 -57.1 125.2 -177.4 -1.1 117.5 111.9 0 0.0 0 0.0 0 0.0 0 0.0 7 29 42 H 42 GLY G T T 3 TS+ 0 0 70.3 13.1 -176.8 103.4 116.5 62.2 0 0.0 0 0.0 0 0.0 0 0.0 5 19 43 H 43 A GLN Q S t < TS- 0 0 -112.9 -178.7 -177.8 -95.5 71.7 122.2 40 -2.6 0 0.0 0 0.0 0 0.0 6 17 44 H 44 GLY G e - 0 0 -91.0 -172.6 -179.7 -72.4 47.0 94.6 0 0.0 40 -0.5 0 0.0 0 0.0 6 20 45 H 45 LEU L E E BD - 39 0 -83.7 138.8 175.9 -171.4 40.7 127.7 0 0.0 0 0.0 0 0.0 0 0.0 8 31 46 H 46 GLU E E E BD - 38 0 -132.9 134.0 -179.0 -129.4 19.9 175.1 38 -2.3 38 -2.9 0 0.0 0 0.0 7 33 47 H 47 TRP W E E BD + 37 0 -86.8 129.8 179.5 178.7 22.1 134.3 0 0.0 0 0.0 0 0.0 0 0.0 9 40 48 H 48 ILE I E E B* - 0 0 -93.2 -51.7 178.4 -80.8 51.0 26.4 36 -2.9 61 -2.8 0 0.0 0 0.0 12 48 49 H 49 GLY G E E BDF - 36 60 170.1 -175.9 177.5 -108.1 34.4 161.5 36 -1.0 36 -2.6 0 0.0 0 0.0 11 45 50 H 50 LEU L E E BDF - 35 59 -136.6 159.3 168.0 -154.6 10.3 157.8 59 -2.3 59 -2.0 0 0.0 0 0.0 12 50 51 H 51 ILE I E E BDF - 34 58 -129.8 137.6 170.6 -138.9 16.3 171.5 34 -2.0 34 -2.8 0 0.0 0 0.0 13 47 52 H 52 ASP D e > > T - 0 0 -91.1 106.9 -174.0 -158.2 13.4 150.1 57 -3.0 56 -2.6 0 0.0 55 -1.3 12 38 53 H 52A PRO P T T 4 3 TS+ 0 0 -67.3 -14.7 177.7 67.7 85.0 45.2 0 0.0 0 0.0 0 0.0 0 0.0 14 42 54 H 53 SER S T T 4 3 TS+ 0 0 -71.2 -28.0 -177.3 3.2 126.8 38.5 30 -0.5 0 0.0 0 0.0 0 0.0 6 30 55 H 54 ASN N T T 4 < TS- 0 0 -140.8 5.8 176.9 -113.4 94.5 68.9 52 -1.3 0 0.0 0 0.0 0 0.0 5 24 56 H 55 GLY G t < T + 0 0 75.8 0.2 -179.5 153.2 61.4 62.5 52 -2.6 0 0.0 0 0.0 0 0.0 9 30 57 H 56 ARG R e - 0 0 -67.6 142.0 178.7 -163.0 24.1 112.3 0 0.0 52 -3.0 0 0.0 0 0.0 7 28 58 H 57 THR T E E BF - 51 0 -125.4 160.1 171.3 -165.5 21.7 147.7 0 0.0 0 0.0 0 0.0 0 0.0 9 35 59 H 58 ASN N E E BF - 50 0 -139.4 127.1 -176.0 -168.3 22.7 165.9 50 -2.0 50 -2.3 0 0.0 0 0.0 7 31 60 H 59 PHE F E E BF - 49 0 -121.8 153.3 162.4 -111.3 29.8 152.3 0 0.0 0 0.0 0 0.0 0 0.0 9 32 61 H 60 ASN N h > > T - 0 0 -68.5 121.8 -175.3 -128.7 35.2 135.6 48 -2.8 64 -3.5 0 0.0 65 -0.7 9 25 62 H 61 ASP D H H > > TS+ 0 0 -46.2 -41.0 177.8 66.5 107.5 37.8 0 0.0 65 -0.7 0 0.0 66 -0.5 6 19 63 H 62 LYS K H H 4 3 TS+ 0 0 -55.3 -21.9 -179.3 30.9 112.7 45.8 0 0.0 0 0.0 0 0.0 0 0.0 6 25 64 H 63 PHE F H H > X TS+ 0 0 -117.8 -1.8 -175.2 98.5 89.2 63.1 61 -3.5 68 -1.8 0 0.0 67 -1.6 9 35 65 H 64 LYS K H H < < TS+ 0 0 -53.3 -43.5 -175.1 54.8 81.3 32.3 62 -0.7 0 0.0 61 -0.7 0 0.0 8 29 66 H 65 SER S T h < 3 TS+ 0 0 -70.6 -12.0 -174.0 22.2 122.9 58.4 62 -0.5 0 0.0 0 0.0 0 0.0 6 23 67 H 66 ARG R T e 4 < TS+ 0 0 -139.9 -4.7 -179.9 87.7 99.2 60.9 64 -1.6 84 -2.0 0 0.0 0 0.0 8 34 68 H 67 ALA A E E>T - 78 0 -123.9 94.6 -174.2 -171.7 13.0 154.6 78 -2.3 78 -1.7 0 0.0 76 -0.9 8 33 74 H 73 THR T T T 35TS+ 0 0 -64.3 -20.1 -175.1 64.7 80.7 39.5 0 0.0 0 0.0 0 0.0 0 0.0 9 31 75 H 74 SER S T T 35TS+ 0 0 -73.2 -30.8 179.1 27.9 116.0 27.3 0 0.0 0 0.0 0 0.0 0 0.0 5 22 76 H 75 SER S T T <5TS- 0 0 -108.6 7.7 178.0 -122.4 105.3 69.3 73 -0.9 0 0.0 0 0.0 0 0.0 6 25 77 H 76 SER S T e 5T + 0 0 55.0 42.1 178.2 142.9 64.6 28.0 0 0.0 24 -3.2 0 0.0 0 0.0 11 40 78 H 77 THR T E E ACG T - 0 0 -131.4 175.2 176.8 -86.3 51.7 145.3 0 0.0 90 -2.5 0 0.0 0 0.0 10 29 88 H 84 SER S G G > TS+ 0 0 -54.7 -26.7 179.0 69.3 123.0 40.7 0 0.0 91 -1.7 0 0.0 0 0.0 9 37 89 H 85 GLU E G G 3 TS+ 0 0 -69.1 -8.9 -179.3 60.2 91.8 48.3 0 0.0 0 0.0 0 0.0 0 0.0 7 40 90 H 86 ASP D G G < TS+ 0 0 -99.2 0.9 172.5 116.4 72.2 66.5 87 -2.5 0 0.0 0 0.0 0 0.0 10 51 91 H 87 SER S g < T + 0 0 -67.3 123.0 -172.7 108.5 49.7 129.1 88 -1.7 0 0.0 0 0.0 0 0.0 12 49 92 H 88 ALA A E E B H S- 0 108 -177.5 164.7 162.2 -83.0 74.2 166.0 108 -1.7 108 -2.8 0 0.0 0 0.0 12 47 93 H 89 VAL V E E BEH - 39 107 -82.8 132.9 175.8 -154.9 42.3 143.3 39 -2.7 39 -1.9 0 0.0 0 0.0 12 48 94 H 90 TYR Y E E BEH - 38 106 -113.2 127.5 178.3 -166.8 9.4 163.2 106 -2.7 106 -2.0 0 0.0 0 0.0 12 60 95 H 91 TYR Y E E BE - 37 0 -110.9 140.9 163.8 -146.8 15.2 153.0 37 -2.9 37 -2.5 0 0.0 0 0.0 12 57 96 H 92 CYS C E E BE - 36 0 -97.5 146.2 -170.5 -177.0 30.1 146.0 0 0.0 103 -2.7 0 0.0 0 0.0 14 61 97 H 93 VAL V E E BEI - 35 102 -148.7 135.7 165.5 -179.9 21.1 174.2 35 -1.9 35 -3.4 0 0.0 0 0.0 12 52 98 H 94 ARG R E E B I> T - 0 101 -125.9 165.8 178.9 -58.4 58.8 149.8 101 -2.4 101 -2.2 0 0.0 0 0.0 10 47 99 H 95 ILE I T T 3 TS- 0 0 -46.2 126.2 176.1 -3.2 123.1 99.0 0 0.0 0 0.0 0 0.0 0 0.0 7 32 100 H 101 ALA A T T 3 TS+ 0 0 77.1 -12.3 -175.0 83.5 120.8 81.4 0 0.0 0 0.0 0 0.0 0 0.0 4 23 101 H 102 TYR Y E E BI < T - 98 0 -134.3 119.5 -178.3 -171.1 53.7 167.9 98 -2.2 98 -2.4 0 0.0 0 0.0 9 31 102 H 103 TRP W E E BI - 97 0 -106.6 135.3 176.4 -127.0 21.6 150.7 0 0.0 0 0.0 0 0.0 0 0.0 10 39 103 H 104 GLY G e - 0 0 -70.7 167.9 177.5 -111.3 27.0 102.7 96 -2.7 0 0.0 0 0.0 0 0.0 12 42 104 H 105 GLN Q - 0 0 -71.2 -19.6 -175.8 -124.8 59.6 48.4 4 -0.6 0 0.0 0 0.0 0 0.0 8 34 105 H 106 GLY G - 0 0 84.2 156.0 179.0 -110.6 8.4 81.5 0 0.0 0 0.0 0 0.0 0 0.0 11 46 106 H 107 A THR T E E B H - 0 94 -120.6 126.1 -178.8 -134.6 24.1 172.6 94 -2.0 94 -2.7 0 0.0 108 -0.6 13 44 107 H 108 LEU L E E BbH - 9 93 -91.8 119.0 178.7 -168.6 21.7 142.2 8 -2.0 10 -2.7 0 0.0 0 0.0 11 45 108 H 109 VAL V E E BbH - 10 92 -107.6 124.7 177.7 -169.0 2.9 155.7 92 -2.8 92 -1.7 106 -0.6 0 0.0 13 49 109 H 110 THR T E E Bb - 11 0 -117.0 123.4 178.5 -156.7 7.3 168.1 10 -3.1 12 -2.6 0 0.0 111 -0.6 12 50 110 H 111 VAL V E E Bb + 12 0 -100.3 119.6 -173.3 138.7 35.0 152.2 0 0.0 0 0.0 0 0.0 0 0.0 13 46 111 H 112 SER S e - 0 0 -160.7 138.5 169.3 -153.2 50.7 164.9 12 -2.8 0 0.0 109 -0.6 0 0.0 11 39 112 H 113 SER S + 0 0 -91.7 1.2 176.3 117.1 66.0 63.3 0 0.0 0 0.0 0 0.0 0 0.0 8 34 113 H 114 ALA A - 0 0 -64.9 150.9 177.8 -131.8 59.6 105.0 0 0.0 0 0.0 0 0.0 0 0.0 7 34 114 H 115 SER S - 0 0 -103.6 151.9 176.2 -81.1 35.5 139.8 0 0.0 0 0.0 0 0.0 0 0.0 6 28 115 H 116 THR T + 0 0 -52.6 134.5 -177.1 167.2 56.0 105.4 0 0.0 0 0.0 0 0.0 0 0.0 9 34 116 H 117 LYS K B B A - 145 0 -158.3 125.1 176.9 -132.5 30.0 157.4 145 -2.2 145 -2.3 0 0.0 0 0.0 9 36 117 H 118 GLY G - 0 0 -76.7 160.4 -175.5 -93.9 40.2 111.8 0 0.0 0 0.0 0 0.0 0 0.0 10 37 118 H 119 PRO P - 0 0 -76.8 154.8 160.1 -134.0 15.5 106.3 0 0.0 0 0.0 0 0.0 0 0.0 10 48 119 H 120 SER S E E CJ - 142 0 -93.4 127.9 -179.2 -149.2 27.3 163.3 142 -2.3 142 -2.9 0 0.0 121 -0.5 9 40 120 H 121 VAL V E E CJ - 141 0 -109.4 117.9 -172.5 -174.8 16.6 159.9 0 0.0 0 0.0 0 0.0 0 0.0 10 46 121 H 122 PHE F E E CJ - 140 0 -114.2 142.2 176.9 -113.5 25.0 149.8 140 -2.8 140 -2.7 119 -0.5 0 0.0 9 36 122 H 123 PRO P E E CJ - 139 0 -77.7 141.2 165.1 -155.2 8.4 125.4 0 0.0 124 -0.8 0 0.0 0 0.0 12 40 123 H 124 LEU L E E CJ - 138 0 -101.3 86.4 -165.9 -151.0 36.5 155.5 138 -2.6 138 -2.1 0 0.0 0 0.0 9 44 124 H 125 ALA A - 0 0 -76.7 141.2 -179.0 -107.3 13.2 114.0 122 -0.8 0 0.0 0 0.0 0 0.0 9 42 125 H 126 PRO P + 0 0 -64.6 135.0 175.5 161.5 52.5 115.6 0 0.0 0 0.0 0 0.0 0 0.0 13 43 126 H 127 SER S g > T - 0 0 -145.4 173.3 175.4 -97.9 57.2 156.6 0 0.0 129 -2.1 0 0.0 0 0.0 9 33 127 H 128 SER S G G > TS+ 0 0 -57.0 -32.1 176.6 55.8 128.0 40.3 0 0.0 130 -0.9 0 0.0 0 0.0 6 25 128 H 129 LYS K G G 3 TS+ 0 0 -82.5 4.8 179.1 43.5 113.6 70.2 0 0.0 0 0.0 0 0.0 0 0.0 4 19 129 H 130 SER S G e < TS+ 0 0 -138.8 36.4 -175.1 96.8 91.5 99.8 126 -2.1 136 -2.7 0 0.0 0 0.0 9 30 130 H 133 THR T E E CK < T - 135 0 -141.9 93.7 -179.2 -165.1 49.8 137.9 127 -0.9 132 -1.2 0 0.0 0 0.0 12 26 131 H 134 SER S E E CK > T - 134 0 -79.2 94.5 177.1 -65.6 63.8 128.9 134 -1.1 134 -2.4 0 0.0 133 -0.5 7 21 132 H 135 GLY G T T 3 TS- 0 0 67.0 -112.6 178.1 -5.7 123.3 117.0 130 -1.2 0 0.0 0 0.0 0 0.0 5 18 133 H 136 GLY G T e 3 TS+ 0 0 -89.9 -3.2 -174.4 85.6 125.5 59.2 131 -0.5 185 -3.1 0 0.0 186 -0.5 8 21 134 H 137 THR T E E CKL< T - 131 184 -109.1 131.4 178.0 -169.1 55.9 146.6 131 -2.4 131 -1.1 0 0.0 0 0.0 10 28 135 H 138 ALA A E E CKL - 130 183 -112.5 145.1 174.0 -142.9 13.3 151.1 183 -2.8 183 -2.5 0 0.0 0 0.0 15 39 136 H 139 ALA A E E C L + 0 182 -107.0 142.9 176.9 168.2 25.0 154.0 129 -2.7 0 0.0 0 0.0 0 0.0 13 45 137 H 140 LEU L E E C L + 0 181 -144.9 165.3 -175.7 148.0 5.4 161.6 181 -2.3 181 -2.7 0 0.0 0 0.0 14 56 138 H 141 GLY G E E CJL - 123 180 -172.2 -174.2 174.6 -98.7 37.5 165.0 123 -2.1 123 -2.6 0 0.0 0 0.0 14 56 139 H 142 CYS C E E CJL - 122 179 -133.3 131.8 173.8 -147.3 18.7 175.7 179 -2.4 179 -2.0 0 0.0 141 -0.6 14 54 140 H 143 LEU L E E CJL - 121 178 -99.3 111.6 -178.1 -162.1 11.9 162.4 121 -2.7 121 -2.8 0 0.0 142 -0.8 13 52 141 H 144 VAL V E E CJL - 120 177 -99.3 96.5 -167.1 -178.5 25.9 149.7 177 -3.1 177 -2.5 139 -0.6 0 0.0 13 55 142 H 145 LYS K E E CJL + 119 176 -113.1 144.9 165.5 8.1 38.6 143.2 119 -2.9 119 -2.3 140 -0.8 0 0.0 12 46 143 H 146 ASP D E E C * S+ 0 0 68.8 54.7 179.1 143.2 76.5 19.7 175 -1.1 0 0.0 0 0.0 0 0.0 11 38 144 H 147 TYR Y E E C L - 0 175 -122.7 159.7 176.9 -127.6 36.3 151.4 175 -1.6 175 -3.2 0 0.0 0 0.0 14 46 145 H 148 PHE F B B A + 116 0 -159.6 143.0 -12.6 13.3 66.2 162.2 116 -2.3 116 -2.2 0 0.0 0 0.0 14 46 146 H 149 PRO P S S S- 0 0 -83.7 -174.8 165.9 -78.9 90.6 42.0 0 0.0 0 0.0 0 0.0 0 0.0 10 47 147 H 150 GLU E S S S+ 0 0 -62.7 158.0 -4.6 69.6 76.9 109.8 0 0.0 0 0.0 0 0.0 0 0.0 8 51 148 H 151 PRO P + 0 0 -108.5 172.8 167.9 165.3 36.2 57.0 0 0.0 0 0.0 0 0.0 0 0.0 8 47 149 H 152 VAL V - 0 0 -119.7 146.1 170.0 -157.0 17.0 162.0 0 0.0 0 0.0 0 0.0 0 0.0 8 46 150 H 153 THR T E E DM - 198 0 -118.0 144.2 175.1 -161.9 8.0 161.2 198 -2.2 198 -2.4 0 0.0 0 0.0 8 49 151 H 154 VAL V E E DM + 197 0 -128.7 137.3 167.1 172.0 11.6 174.0 0 0.0 0 0.0 0 0.0 0 0.0 10 55 152 H 156 SER S E E DM - 196 0 -130.2 169.4 -179.2 -135.7 22.3 150.9 196 -2.0 196 -4.4 0 0.0 0 0.0 11 44 153 H 157 TRP W E E DMB>>TS- 195 158 -127.5 126.3 175.9 -9.0 81.8 177.4 158 -0.5 156 -1.8 0 0.0 158 -1.8 12 46 154 H 162 ASN N G e >5TS- 0 0 48.8 46.7 172.1 -59.5 127.9 24.1 194 -1.7 157 -2.8 0 0.0 0 0.0 10 37 155 H 163 SER S G G 35TS- 0 0 58.0 27.0 176.4 -52.7 100.7 46.8 0 0.0 0 0.0 0 0.0 0 0.0 7 26 156 H 164 GLY G G G <5TS+ 0 0 91.2 0.5 170.0 110.0 117.9 68.1 153 -1.8 0 0.0 0 0.0 0 0.0 7 25 157 H 165 ALA A T g <5TS+ 0 0 -67.0 -34.8 173.3 58.2 75.7 38.1 154 -2.8 159 -0.7 0 0.0 0 0.0 6 19 158 H 166 LEU L B B B T + 0 0 -128.9 -32.7 -177.0 95.1 38.9 55.0 157 -0.7 162 -1.6 0 0.0 0 0.0 8 27 160 H 168 SER S T T 3 TS+ 0 0 -71.9 131.9 -179.1 12.5 99.4 122.9 0 0.0 0 0.0 0 0.0 0 0.0 5 26 161 H 169 GLY G T e 3 TS+ 0 0 85.1 -5.3 -179.8 137.8 94.4 65.3 0 0.0 182 -0.7 0 0.0 0 0.0 7 29 162 H 171 VAL V E E CN < T - 181 0 -80.6 138.2 171.7 -177.9 28.8 125.9 159 -1.6 0 0.0 0 0.0 0 0.0 10 37 163 H 172 HIS H E E CN - 180 0 -135.3 113.8 175.3 -173.8 5.5 159.8 180 -2.9 180 -2.9 0 0.0 165 -0.6 7 34 164 H 173 THR T E E CN - 179 0 -106.2 116.9 -169.5 -143.6 23.3 162.1 0 0.0 0 0.0 0 0.0 0 0.0 9 40 165 H 174 PHE F e - 0 0 -87.6 154.6 172.8 -96.8 19.1 117.0 178 -2.8 0 0.0 163 -0.6 0 0.0 7 32 166 H 175 PRO P - 0 0 -59.0 141.7 176.4 -110.5 51.3 111.6 0 0.0 0 0.0 0 0.0 0 0.0 6 28 167 H 176 ALA A - 0 0 -69.9 158.7 167.0 -137.4 25.6 111.7 0 0.0 0 0.0 0 0.0 0 0.0 8 38 168 H 177 VAL V E E CO - 176 0 -110.6 151.9 173.1 -125.4 12.8 153.3 176 -2.8 176 -2.2 0 0.0 170 -0.6 7 29 169 H 178 LEU L E E CO - 175 0 -93.7 115.1 -178.9 -148.0 30.2 150.1 0 0.0 0 0.0 0 0.0 0 0.0 9 38 170 H 179 GLN Q e > T - 0 0 -80.2 164.2 -177.6 -104.7 27.5 111.2 174 -2.4 173 -1.9 168 -0.6 0 0.0 8 26 171 H 180 SER S T T 3 TS+ 0 0 -62.9 -22.1 179.3 66.0 119.3 44.4 0 0.0 0 0.0 0 0.0 0 0.0 5 18 172 H 182 SER S T T 3 TS- 0 0 -70.8 -14.3 -172.3 -112.9 116.7 57.2 0 0.0 0 0.0 0 0.0 0 0.0 5 23 173 H 183 GLY G S t < TS+ 0 0 87.6 -1.8 175.6 111.9 83.6 67.6 170 -1.9 0 0.0 0 0.0 0 0.0 9 35 174 H 184 LEU L e - 0 0 -99.6 156.3 -179.1 -119.4 64.9 134.5 0 0.0 170 -2.4 0 0.0 0 0.0 13 39 175 H 185 TYR Y E E CLO - 144 169 -94.1 156.4 175.0 -165.5 20.2 125.9 144 -3.2 144 -1.6 0 0.0 143 -1.1 14 45 176 H 186 SER S E E CLO + 142 168 -142.5 136.2 -174.9 175.5 9.9 173.4 168 -2.2 168 -2.8 0 0.0 0 0.0 13 43 177 H 187 LEU L E E CL - 141 0 -137.4 148.0 167.9 -149.8 14.4 165.8 141 -2.5 141 -3.1 0 0.0 0 0.0 12 45 178 H 188 SER S E E CL - 140 0 -118.2 156.8 175.4 -168.4 5.0 157.8 0 0.0 165 -2.8 0 0.0 0 0.0 12 50 179 H 189 SER S E E CLN + 139 164 -138.0 125.3 -175.5 178.2 16.0 173.7 139 -2.0 139 -2.4 0 0.0 0 0.0 12 54 180 H 190 VAL V E E CLN - 138 163 -126.2 159.4 168.2 -168.7 12.7 151.2 163 -2.9 163 -2.9 0 0.0 0 0.0 11 50 181 H 191 VAL V E E CLN - 137 162 -143.1 147.2 172.2 -137.2 17.3 170.7 137 -2.7 137 -2.3 0 0.0 0 0.0 11 51 182 H 192 THR T E E CL + 136 0 -103.0 137.2 -175.6 165.0 33.2 155.0 161 -0.7 0 0.0 0 0.0 0 0.0 10 45 183 H 193 VAL V E E CL - 135 0 -141.8 166.4 179.7 -75.1 45.5 151.9 135 -2.5 135 -2.8 0 0.0 0 0.0 10 43 184 H 194 PRO P E E CL > T - 134 0 -68.6 133.5 177.4 -137.3 33.5 122.2 0 0.0 187 -2.1 0 0.0 0 0.0 9 33 185 H 195 SER S G e > TS+ 0 0 -57.7 -28.2 179.0 62.9 104.5 32.6 133 -3.1 188 -1.1 0 0.0 0 0.0 9 32 186 H 196 SER S G G > TS+ 0 0 -72.2 -11.4 178.7 60.9 93.4 50.5 133 -0.5 189 -0.5 0 0.0 0 0.0 7 26 187 H 197 SER S G G > X TS+ 0 0 -86.9 -9.6 -171.8 92.0 75.9 54.0 184 -2.1 191 -2.8 0 0.0 190 -1.3 8 29 188 H 198 LEU L G G 4 < TS+ 0 0 -66.2 -8.6 -179.7 43.2 91.3 52.1 185 -1.1 0 0.0 0 0.0 0 0.0 10 35 189 H 199 GLY G G G 4 < TS+ 0 0 -111.7 -11.4 177.9 37.2 120.9 62.4 186 -0.5 0 0.0 0 0.0 0 0.0 6 25 190 H 200 THR T T g 4 < TS+ 0 0 -111.7 -17.9 -173.2 55.6 111.5 51.7 187 -1.3 0 0.0 0 0.0 0 0.0 6 18 191 H 203 GLN Q t < T - 0 0 -129.9 140.9 179.6 -138.0 66.7 161.3 187 -2.8 0 0.0 0 0.0 0 0.0 6 29 192 H 205 A THR T - 0 0 -91.2 143.1 -178.6 -151.9 15.2 130.6 0 0.0 194 -0.5 0 0.0 0 0.0 9 37 193 H 206 TYR Y e + 0 0 -121.1 120.5 -177.2 173.5 17.7 164.4 0 0.0 210 -3.0 0 0.0 0 0.0 9 50 194 H 207 ILE I E E D P - 0 209 -131.7 129.7 176.1 -145.7 22.1 166.9 192 -0.5 154 -1.7 0 0.0 0 0.0 10 49 195 H 208 CYS C E E DMP - 153 208 -90.8 132.5 178.1 -146.8 13.3 143.5 208 -2.4 208 -1.9 0 0.0 197 -0.7 14 55 196 H 209 ASN N E E DMP - 152 207 -101.5 105.8 -175.2 -173.3 20.9 150.4 152 -4.4 152 -2.0 0 0.0 198 -0.5 14 47 197 H 210 VAL V E E DMP - 151 206 -107.9 120.5 178.1 -179.0 7.4 151.2 206 -3.5 206 -3.7 195 -0.7 0 0.0 12 54 198 H 211 ASN N E E DMP - 150 205 -125.2 125.3 173.5 -171.8 13.1 169.4 150 -2.4 150 -2.2 196 -0.5 200 -0.7 11 45 199 H 212 HIS H E E D P>>T - 0 204 -106.9 87.0 -178.5 -175.5 8.2 150.7 204 -3.5 204 -2.4 0 0.0 202 -1.5 14 39 200 H 213 LYS K G G >5TS+ 0 0 -57.3 -42.1 -176.1 65.6 76.0 25.8 198 -0.7 203 -2.5 0 0.0 0 0.0 9 25 201 H 214 PRO P G G 35TS+ 0 0 -58.9 -15.0 174.6 28.1 117.4 44.3 0 0.0 0 0.0 0 0.0 0 0.0 10 30 202 H 215 SER S G G <5TS- 0 0 -120.1 12.6 -175.9 -122.9 108.7 79.2 199 -1.5 0 0.0 0 0.0 0 0.0 8 28 203 H 216 ASN N T g <5T + 0 0 46.8 40.6 -175.8 148.9 63.0 34.3 200 -2.5 0 0.0 0 0.0 0 0.0 7 23 204 H 217 THR T E E DP 5555< 5-turns 3-turns >33< >>3<< >33< >33< >>3X<3< >33< >>3<< >33 3-turns bridge-2 CCCCCC EEEEE FFF GGGGGG HHH II bridge-2 bridge-1 AAA bbbb AAA DDDDDD DDD*DDD FFF GGGGGG CCCCCC EEEEE bridge-1 sheets AAA BBBB AAAAAAAA BBBBBB BBBBBBB BBB AAAAAA AAAAAA BBBBBBB sheets 4-turns >444< >>4><<4< 4-turns summary EEE eEEEEtTTt EEEEEEEESSgGGGg EEEEEEeTTteEEEEEEEeTTTteEEEhHHHHheEEEEEETTTeEEEEEEeS gGGGgEEEEEEETT summary sequence QVQLLEPGTELVKPGASVKLSCRASGYSFTSYWMHWVKQRPGQGLEWIGLIDPSNGRTNFNDKFKSRATLTVDTSSSTAYMQLSSLTSEDSAVYYCVRIA sequence 10 20 30 40 50 60 70 80 90 100 author author Kabs/Sand EE EEEEE B EEEEE GGGEETTEEEEEEEEEEEBSS EEEEGGGTB TTEEE EE TTS EEEEEEEEEEGGGGGT EEEEEEG Kabs/Sand chirality ---------+-+--+---------+-+++---+--++----++-+-++--+----++++++---------+-+--+--+--+--++++++--+------+ chirality bends SSS SS S SS SSSSS SS SSS SSSSSS S bends turns T TTTTTTTTT TTTTTTTTTT TTTT TTTTTTTT TT turns 5-turns >5555< >5 5-turns 3-turns < >>3<<>33< >>3<< >33< >33< >>>X<<< >> 3-turns bridge-2 HHH LLLLLLLLL*L B OO NNN PPPPPP bridge-2 bridge-1 II bbbb A JJJJJ KK KK JJJJJ A MMMM B NNN OO LLLLLLLLLL MMMM bridge-1 sheets BB BBBBB CCCCC CC CCCCCCCCCCC DDDD CCC CC CCCCCCCCCC DDDDDD sheets 4-turns >444< 4-turns summary EEe EEEEEe B EEEEE gGGeEETeEEEEEEEEEEEBSS EEEEeGGgBtTeEEEe EEeTTteEEEEEEEEEEeGGGGgt eEEEEEEG summary sequence YWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHK sequence 110 120 130 140 150 160 170 180 190 200 author author Kabs/Sand GGTEEEEEE Kabs/Sand chirality +-+--------+- chirality bends SS bends turns TTTT turns 5-turns 555< 5-turns 3-turns 3<< 3-turns bridge-2 bridge-2 bridge-1 PPPPPP bridge-1 sheets DDDDDD sheets 4-turns 4-turns summary GGgEEEEEEe summary sequence PSNTKVDKKVEPKSC sequence 210