Secondary structure calculation program - copyright by David Keith Smith, 1989 1c5cL.pdb 1C5C IMMUNE SYSTEM MOL_ID: 1; MOL_ID: 1; Sequence length - 214 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 L 1 GLU E 0 0 999.9 137.3 178.2 999.9 999.9 999.9 0 0.0 3 -0.5 0 0.0 0 0.0 6 21 2 L 2 ILE I - 0 0 -69.8 117.2 177.0 -147.9 999.9 122.3 0 0.0 0 0.0 0 0.0 0 0.0 9 31 3 L 3 GLN Q e - 0 0 -83.4 128.6 170.8 -153.4 3.9 135.0 1 -0.5 26 -2.0 0 0.0 5 -0.5 10 34 4 L 4 LEU L E E AA - 25 0 -107.9 121.3 -179.3 -158.8 7.9 164.1 0 0.0 6 -0.7 0 0.0 0 0.0 15 49 5 L 5 THR T E E AA - 24 0 -105.1 112.7 179.3 -161.2 9.6 152.6 24 -3.3 24 -2.5 3 -0.5 0 0.0 10 40 6 L 6 GLN Q E E AA - 23 0 -98.2 143.1 176.7 -134.8 9.4 136.4 4 -0.7 0 0.0 0 0.0 0 0.0 15 42 7 L 7 SER S E E AA S+ 22 0 -151.1 147.4 -1.8 27.3 72.4 171.5 22 -2.9 22 -3.6 0 0.0 0 0.0 10 35 8 L 8 PRO P - 0 0 -80.4 165.0 -179.9 -157.3 62.8 48.7 0 0.0 0 0.0 0 0.0 0 0.0 8 32 9 L 9 SER S S e S+ 0 0 -67.8 -45.0 172.1 13.5 85.5 21.3 0 0.0 103 -2.8 0 0.0 0 0.0 9 33 10 L 10 A SER S E E Bb S- 103 0 -131.7 139.0 179.1 -170.0 71.7 173.7 0 0.0 0 0.0 0 0.0 0 0.0 9 33 11 L 11 LEU L E E Bb - 104 0 -131.4 130.5 175.2 -159.0 7.2 174.9 103 -3.6 105 -2.5 0 0.0 0 0.0 9 40 12 L 12 SER S E E Bb + 105 0 -105.2 129.1 -178.0 155.6 27.4 157.8 0 0.0 0 0.0 0 0.0 0 0.0 8 41 13 L 13 ALA A E E Bb - 106 0 -151.3 170.4 -176.2 -112.2 34.1 161.3 105 -2.4 107 -2.8 0 0.0 0 0.0 10 40 14 L 14 SER S t > T - 0 0 -104.5 155.9 170.5 -87.5 42.5 134.5 0 0.0 17 -2.0 0 0.0 0 0.0 9 34 15 L 15 LEU L T T 3 TS+ 0 0 -53.4 135.0 174.1 21.1 116.2 108.0 0 0.0 0 0.0 0 0.0 0 0.0 9 30 16 L 16 GLY G T T 3 TS+ 0 0 93.3 -17.0 -179.0 128.9 93.4 76.5 78 -2.8 0 0.0 0 0.0 0 0.0 8 25 17 L 17 GLU E t < T - 0 0 -72.3 152.0 173.5 -123.9 58.5 112.2 14 -2.0 78 -2.3 0 0.0 0 0.0 9 28 18 L 18 ARG R + 0 0 -92.1 129.4 175.8 175.6 37.7 145.4 0 0.0 0 0.0 0 0.0 0 0.0 9 31 19 L 19 VAL V E E A C - 0 75 -137.5 156.5 174.4 -155.3 19.3 166.5 75 -2.0 75 -2.5 0 0.0 0 0.0 10 42 20 L 20 SER S E E A C - 0 74 -133.0 138.4 176.6 -159.7 3.3 175.9 0 0.0 0 0.0 0 0.0 0 0.0 8 52 21 L 21 LEU L E E A C - 0 73 -108.6 140.3 -179.9 -143.8 16.3 153.1 73 -2.7 73 -2.6 0 0.0 0 0.0 11 59 22 L 22 THR T E E AAC - 7 72 -119.7 147.3 176.8 -175.6 16.8 152.0 7 -3.6 7 -2.9 0 0.0 0 0.0 11 53 23 L 23 CYS C E E AAC - 6 71 -130.9 120.5 179.2 -165.9 11.5 174.6 71 -3.0 71 -2.5 0 0.0 0 0.0 13 59 24 L 24 ARG R E E AAC - 5 70 -114.1 135.1 -177.9 -142.7 9.8 159.3 5 -2.5 5 -3.3 0 0.0 0 0.0 10 48 25 L 25 THR T E E AA - 4 0 -100.1 141.4 -176.6 -142.6 11.7 136.8 69 -1.9 0 0.0 0 0.0 0 0.0 12 45 26 L 26 SER S S e S+ 0 0 -71.2 -25.3 175.5 15.7 90.6 40.2 3 -2.0 0 0.0 0 0.0 0 0.0 9 35 27 L 27 GLN Q S S S- 0 0 -136.4 172.0 -178.0 -70.0 103.8 146.5 0 0.0 0 0.0 0 0.0 0 0.0 7 32 28 L 28 GLU E + 0 0 -70.9 128.2 177.9 171.4 41.7 117.5 0 0.0 0 0.0 0 0.0 0 0.0 7 31 29 L 29 ILE I t > T - 0 0 -117.7 3.6 176.8 -136.5 35.1 67.5 0 0.0 32 -1.9 0 0.0 0 0.0 12 40 30 L 30 SER S T T 3 T - 0 0 48.9 46.6 176.7 -47.9 69.7 30.8 0 0.0 0 0.0 0 0.0 0 0.0 6 32 31 L 31 GLY G T T 3 TS+ 0 0 82.7 -3.9 -178.3 135.1 96.8 59.7 0 0.0 33 -2.0 0 0.0 0 0.0 8 39 32 L 32 TYR Y e < T + 0 0 -85.5 74.3 -173.2 111.0 40.7 118.4 29 -1.9 91 -2.3 0 0.0 0 0.0 11 46 33 L 33 LEU L E E BD - 90 0 -147.7 140.6 173.6 -164.3 45.2 178.5 31 -2.0 51 -2.9 0 0.0 0 0.0 13 56 34 L 34 A SER S E E BD - 89 0 -124.3 160.0 174.3 -133.7 16.8 153.3 89 -2.2 89 -1.9 0 0.0 0 0.0 13 57 35 L 35 TRP W E E BDE - 88 48 -112.1 124.7 -175.5 -165.9 24.3 165.6 48 -2.1 47 -2.9 0 0.0 48 -1.5 14 66 36 L 36 LEU L E E BDE - 87 46 -114.3 144.3 177.0 -150.8 8.1 152.1 87 -3.2 87 -2.3 0 0.0 0 0.0 13 59 37 L 37 GLN Q E E BDE - 86 45 -117.2 131.5 175.0 -161.7 4.0 163.0 45 -4.3 45 -2.8 0 0.0 39 -0.6 12 54 38 L 38 GLN Q E E BDE - 85 44 -114.5 118.7 178.6 -141.5 16.0 166.0 85 -2.9 85 -2.6 0 0.0 0 0.0 13 33 39 L 39 LYS K e > T - 0 0 -64.9 156.2 173.6 -104.5 30.1 103.9 43 -2.2 42 -2.7 37 -0.6 0 0.0 9 29 40 L 40 PRO P T T 3 TS+ 0 0 -58.4 -16.6 173.4 59.6 124.3 48.5 0 0.0 0 0.0 0 0.0 0 0.0 7 29 41 L 41 ASP D T T 3 TS- 0 0 -90.5 0.2 171.8 -108.1 121.1 63.8 0 0.0 0 0.0 0 0.0 0 0.0 5 19 42 L 42 GLY G S t < TS+ 0 0 104.2 -17.7 -174.1 138.2 72.0 79.5 39 -2.7 0 0.0 0 0.0 0 0.0 6 20 43 L 43 THR T e - 0 0 -69.3 141.5 -175.0 -143.5 42.6 111.0 0 0.0 39 -2.2 0 0.0 0 0.0 7 19 44 L 44 ILE I E E BE - 38 0 -116.5 135.1 -176.8 -179.4 18.8 156.5 0 0.0 0 0.0 0 0.0 0 0.0 8 30 45 L 45 LYS K E E BE - 37 0 -135.1 138.6 172.6 -127.7 25.2 173.0 37 -2.8 37 -4.3 0 0.0 0 0.0 7 32 46 L 46 ARG R E E BE + 36 0 -80.5 130.7 178.1 170.5 27.0 136.2 0 0.0 0 0.0 0 0.0 0 0.0 11 42 47 L 47 LEU L E E B* + 0 0 -106.3 -39.4 -178.3 19.8 65.9 41.9 35 -2.9 55 -2.8 0 0.0 0 0.0 13 48 48 L 48 ILE I E E BEF - 35 54 -136.2 140.9 173.0 -175.7 60.4 171.7 35 -1.5 35 -2.1 0 0.0 0 0.0 16 45 49 L 49 TYR Y E E >B F> T + 0 53 -131.5 166.6 -176.9 26.7 68.2 153.0 53 -3.0 53 -2.9 0 0.0 52 -0.6 13 42 50 L 50 ASP D T T 4 3 TS- 0 0 49.2 41.7 179.2 -79.0 121.2 29.4 0 0.0 52 -1.9 0 0.0 0 0.0 9 38 51 L 51 ALA A T T 4 3 TS+ 0 0 64.6 -33.3 -171.6 29.4 127.4 91.7 33 -2.9 0 0.0 0 0.0 0 0.0 14 46 52 L 52 THR T T T 4 < TS+ 0 0 -139.0 6.9 -176.8 105.7 88.8 66.7 50 -1.9 0 0.0 49 -0.6 0 0.0 11 43 53 L 53 A LYS K E ET - 0 0 -64.3 142.5 -172.0 -121.7 24.1 111.5 47 -2.8 58 -2.3 0 0.0 0 0.0 9 30 56 L 56 SER S T T 3 TS+ 0 0 -59.8 -30.1 179.5 49.0 112.8 33.8 0 0.0 0 0.0 0 0.0 0 0.0 4 21 57 L 57 GLY G T T 3 TS+ 0 0 -89.7 7.4 -177.0 91.6 94.4 74.0 0 0.0 0 0.0 0 0.0 0 0.0 5 21 58 L 58 ALA A S t < TS- 0 0 -110.8 146.6 -177.5 -109.7 78.0 143.9 55 -2.3 0 0.0 0 0.0 0 0.0 10 34 59 L 59 PRO P t > T - 0 0 -72.8 158.5 -168.9 -112.3 29.8 107.8 0 0.0 62 -1.6 0 0.0 0 0.0 5 30 60 L 60 LYS K T T 3 TS+ 0 0 -71.9 -11.3 179.3 80.8 103.7 52.6 0 0.0 0 0.0 0 0.0 0 0.0 6 28 61 L 61 ARG R T e 3 TS+ 0 0 -69.0 -12.2 176.9 84.6 79.4 51.2 0 0.0 76 -3.0 0 0.0 0 0.0 8 37 62 L 62 PHE F E E AG < T + 75 0 -92.4 126.0 173.2 170.8 58.1 147.9 59 -1.6 0 0.0 0 0.0 0 0.0 13 49 63 L 63 SER S E E AG - 74 0 -130.2 155.0 176.8 -150.5 18.1 157.2 74 -2.9 74 -2.8 0 0.0 0 0.0 13 43 64 L 64 GLY G E E AG + 73 0 -125.6 143.2 175.8 165.7 19.1 167.7 0 0.0 0 0.0 0 0.0 0 0.0 13 49 65 L 65 SER S E E AG - 72 0 -143.8 169.2 174.6 -177.8 6.7 158.9 72 -2.4 72 -2.6 0 0.0 0 0.0 10 40 66 L 66 ARG R E E AG - 71 0 -166.2 160.9 175.0 -165.7 19.3 169.9 0 0.0 0 0.0 0 0.0 0 0.0 11 38 67 L 67 SER S E E AG > TS- 70 0 -151.4 112.5 -174.7 -51.0 71.0 151.5 70 -2.2 70 -2.0 0 0.0 0 0.0 6 25 68 L 68 GLY G T T 3 TS- 0 0 57.4 -118.4 -173.3 -9.2 126.9 114.6 0 0.0 0 0.0 0 0.0 0 0.0 7 27 69 L 69 SER S T e 3 TS+ 0 0 -94.8 8.5 179.8 94.1 116.6 76.3 0 0.0 25 -1.9 0 0.0 71 -0.6 11 38 70 L 70 ASP D E E ACG< T - 24 67 -108.8 116.3 -179.3 -179.8 50.8 157.1 67 -2.0 67 -2.2 0 0.0 0 0.0 10 40 71 L 71 TYR Y E E ACG - 23 66 -118.0 131.2 -179.0 -165.6 6.6 163.5 23 -2.5 23 -3.0 69 -0.6 0 0.0 13 55 72 L 72 SER S E E ACG - 22 65 -125.3 141.2 170.3 -155.7 14.9 162.4 65 -2.6 65 -2.4 0 0.0 74 -0.5 11 54 73 L 73 LEU L E E ACG - 21 64 -105.2 119.5 176.9 -164.5 20.3 164.8 21 -2.6 21 -2.7 0 0.0 0 0.0 12 64 74 L 74 THR T E E ACG - 20 63 -114.4 135.4 173.7 -163.8 15.0 159.2 63 -2.8 63 -2.9 72 -0.5 76 -0.5 13 52 75 L 75 ILE I E E ACG - 19 62 -109.4 112.4 -170.4 -158.3 10.6 170.2 19 -2.5 19 -2.0 0 0.0 0 0.0 11 49 76 L 76 SER S S e S+ 0 0 -67.6 -40.8 179.6 2.7 79.2 29.3 61 -3.0 0 0.0 74 -0.5 0 0.0 11 30 77 L 77 SER S S S S- 0 0 -152.8 108.6 -172.0 -125.2 84.8 148.5 0 0.0 0 0.0 0 0.0 0 0.0 10 28 78 L 78 LEU L - 0 0 -62.1 133.5 172.0 -170.5 25.6 106.5 17 -2.3 16 -2.8 0 0.0 0 0.0 12 36 79 L 79 GLU E g > T - 0 0 -117.1 167.2 -173.6 -101.7 39.3 140.5 0 0.0 82 -1.8 0 0.0 0 0.0 8 31 80 L 80 SER S G G > TS+ 0 0 -60.2 -33.3 179.7 60.6 118.7 34.8 0 0.0 83 -1.1 0 0.0 0 0.0 6 37 81 L 81 GLU E G G 3 TS+ 0 0 -63.4 -19.1 -172.3 66.5 95.2 50.3 0 0.0 0 0.0 0 0.0 0 0.0 5 40 82 L 82 ASP D G G < T + 0 0 -86.5 -17.1 176.3 102.3 66.9 52.4 79 -1.8 84 -0.9 0 0.0 0 0.0 7 53 83 L 83 PHE F g < T + 0 0 -73.3 110.8 -167.9 98.3 62.5 126.3 80 -1.1 0 0.0 0 0.0 0 0.0 10 54 84 L 84 ALA A S e S- 0 0 -171.6 -173.0 177.5 -68.1 78.1 154.4 82 -0.9 104 -2.4 0 0.0 0 0.0 12 51 85 L 85 ASP D E E BDH - 38 103 -104.1 148.4 179.5 -156.9 41.8 145.2 38 -2.6 38 -2.9 0 0.0 0 0.0 12 51 86 L 86 TYR Y E E BDH - 37 102 -128.8 141.0 -178.6 -177.1 9.9 168.5 102 -2.4 102 -2.2 0 0.0 0 0.0 12 59 87 L 87 TYR Y E E BD - 36 0 -132.1 142.1 166.5 -143.6 16.5 169.9 36 -2.3 36 -3.2 0 0.0 0 0.0 14 56 88 L 88 CYS C E E BD - 35 0 -97.4 153.1 176.9 -165.5 16.2 142.2 0 0.0 99 -2.4 0 0.0 0 0.0 14 63 89 L 89 LEU L E E BDI - 34 98 -134.1 132.2 175.9 -150.6 6.4 177.0 34 -1.9 34 -2.2 0 0.0 0 0.0 13 57 90 L 90 GLN Q E E BDI - 33 97 -102.8 146.2 172.1 -179.8 14.4 154.3 97 -2.3 97 -0.8 0 0.0 0 0.0 13 51 91 L 91 TYR Y e + 0 0 -132.7 43.1 174.0 91.2 61.4 101.6 32 -2.3 0 0.0 0 0.0 0 0.0 10 37 92 L 92 ALA A S S S+ 0 0 -97.1 -24.4 -169.4 28.6 91.8 53.1 0 0.0 0 0.0 0 0.0 0 0.0 9 32 93 L 93 SER S S S S- 0 0 -141.0 151.9 167.6 -82.4 85.4 161.5 0 0.0 0 0.0 0 0.0 0 0.0 9 25 94 L 94 PHE F S S S+ 0 0 -100.0 135.9 0.4 44.6 103.1 150.4 0 0.0 0 0.0 0 0.0 0 0.0 7 20 95 L 95 PRO P S S S- 0 0 -75.5 153.5 170.7 -128.4 93.1 60.1 0 0.0 0 0.0 0 0.0 0 0.0 6 20 96 L 96 ARG R - 0 0 -57.3 144.7 -176.6 -168.0 35.9 113.6 0 0.0 0 0.0 0 0.0 0 0.0 9 27 97 L 97 THR T E E BI - 90 0 -143.7 155.7 -178.6 -147.5 13.6 165.4 90 -0.8 90 -2.3 0 0.0 0 0.0 12 32 98 L 98 PHE F E E BI - 89 0 -119.0 153.5 165.1 -109.9 23.0 150.9 0 0.0 0 0.0 0 0.0 0 0.0 10 44 99 L 99 GLY G e - 0 0 -68.5 162.7 -177.6 -108.3 39.6 110.0 88 -2.4 0 0.0 0 0.0 0 0.0 12 47 100 L 100 GLY G - 0 0 -75.1 -8.0 177.5 -111.5 63.5 57.7 0 0.0 0 0.0 0 0.0 0 0.0 9 36 101 L 101 GLY G - 0 0 98.0 152.0 169.2 -117.8 16.6 86.5 0 0.0 0 0.0 0 0.0 0 0.0 11 45 102 L 102 THR T E E B H - 0 86 -128.1 130.3 175.8 -147.3 17.3 176.5 86 -2.2 86 -2.4 0 0.0 104 -0.6 14 44 103 L 103 LYS K E E BbH - 10 85 -97.9 119.7 -177.5 -163.3 10.9 148.5 9 -2.8 11 -3.6 0 0.0 105 -0.6 11 49 104 L 104 LEU L E E Bb + 11 0 -105.2 114.2 -175.6 172.6 16.6 156.6 84 -2.4 0 0.0 102 -0.6 0 0.0 13 50 105 L 105 GLU E E E Bb - 12 0 -123.2 163.3 -175.6 -92.2 38.2 142.4 11 -2.5 13 -2.4 103 -0.6 0 0.0 11 52 106 L 106 ILE I E E Bb - 13 0 -85.2 127.8 177.5 -132.4 38.0 130.0 0 0.0 0 0.0 0 0.0 0 0.0 10 44 107 L 107 LYS K e + 0 0 -75.2 136.6 172.9 153.8 37.3 122.5 13 -2.8 0 0.0 0 0.0 0 0.0 8 38 108 L 108 ARG R - 0 0 -148.3 178.4 179.3 -71.3 47.0 154.7 0 0.0 0 0.0 0 0.0 0 0.0 8 33 109 L 109 THR T - 0 0 -76.2 161.2 177.3 -85.0 60.4 113.8 0 0.0 0 0.0 0 0.0 0 0.0 6 29 110 L 110 VAL V - 0 0 -62.4 134.4 175.5 -174.3 44.4 109.3 0 0.0 0 0.0 0 0.0 0 0.0 9 32 111 L 111 ALA A B B A - 140 0 -134.0 121.6 179.5 -133.9 19.6 169.2 140 -2.9 140 -2.2 0 0.0 0 0.0 10 35 112 L 112 ALA A - 0 0 -72.8 145.9 179.2 -109.9 30.0 115.3 0 0.0 0 0.0 0 0.0 0 0.0 11 38 113 L 113 PRO P - 0 0 -74.2 152.2 160.7 -128.2 15.8 118.6 0 0.0 0 0.0 0 0.0 0 0.0 12 47 114 L 114 SER S E E CJ - 137 0 -84.3 130.0 -172.6 -147.3 33.1 149.0 137 -1.7 137 -3.0 0 0.0 0 0.0 9 42 115 L 115 VAL V E E CJ + 136 0 -117.7 131.8 179.6 174.1 21.7 154.3 0 0.0 0 0.0 0 0.0 0 0.0 11 43 116 L 116 PHE F E E CJ - 135 0 -130.4 139.9 177.0 -154.9 14.0 170.4 135 -2.0 135 -2.9 0 0.0 0 0.0 8 37 117 L 117 ILE I E E CJ - 134 0 -120.3 142.5 -177.4 -163.9 5.7 162.8 0 0.0 0 0.0 0 0.0 0 0.0 13 45 118 L 118 PHE F E E CJ - 133 0 -124.4 119.5 173.4 -144.4 10.1 168.2 133 -2.8 133 -2.0 0 0.0 0 0.0 7 44 119 L 119 PRO P - 0 0 -69.6 167.1 172.8 -77.6 42.5 105.1 0 0.0 0 0.0 0 0.0 0 0.0 9 46 120 L 120 PRO P - 0 0 -59.6 146.1 171.3 -111.9 52.7 111.9 0 0.0 0 0.0 0 0.0 0 0.0 10 44 121 L 121 SER S h > T - 0 0 -72.4 150.4 172.0 -121.7 17.3 117.5 0 0.0 125 -2.2 0 0.0 0 0.0 6 31 122 L 122 ASP D H H > TS+ 0 0 -56.6 -37.1 -176.2 60.5 112.8 26.5 0 0.0 126 -1.7 0 0.0 0 0.0 6 22 123 L 123 GLU E H H > TS+ 0 0 -60.5 -46.9 178.7 42.5 107.7 21.1 0 0.0 127 -0.6 0 0.0 0 0.0 6 16 124 L 124 GLN Q H H 4 >>TS+ 0 0 -65.7 -39.7 -173.9 58.5 108.6 23.8 0 0.0 127 -1.6 0 0.0 129 -0.9 11 25 125 L 125 LEU L H H < >5TS+ 0 0 -63.6 -29.0 179.2 67.6 93.8 32.3 121 -2.2 128 -1.6 0 0.0 0 0.0 11 27 126 L 126 LYS K H H < 35TS+ 0 0 -57.1 -32.9 -175.2 48.9 101.6 33.6 122 -1.7 0 0.0 0 0.0 0 0.0 7 20 127 L 127 SER S T h < <5TS- 0 0 -101.4 20.1 169.7 -94.3 119.9 79.4 124 -1.6 0 0.0 123 -0.6 0 0.0 6 19 128 L 128 GLY G T e <5TS+ 0 0 103.8 -13.2 -177.0 87.2 88.8 66.7 125 -1.6 183 -2.3 0 0.0 0 0.0 9 21 129 L 129 THR T E E C K TS- 192 153 -128.6 117.2 -172.2 -15.4 86.8 170.8 153 -2.1 153 -1.9 0 0.0 0 0.0 12 46 151 L 151 ASP D T e 3 TS- 0 0 47.4 44.3 174.2 -57.0 129.8 28.2 191 -3.1 0 0.0 0 0.0 0 0.0 8 29 152 L 152 ASN N T T 3 TS+ 0 0 70.3 6.4 173.7 132.0 108.6 63.7 0 0.0 154 -0.6 0 0.0 0 0.0 8 24 153 L 153 ALA A E E DM < T - 150 0 -84.3 117.3 -179.1 -123.0 61.4 142.0 150 -1.9 150 -2.1 0 0.0 0 0.0 6 25 154 L 154 LEU L E E DM - 149 0 -64.9 128.8 -177.1 -138.5 27.3 113.0 152 -0.6 0 0.0 0 0.0 0 0.0 8 27 155 L 155 GLN Q e - 0 0 -95.4 149.7 -179.9 -170.6 18.6 129.3 148 -3.3 0 0.0 0 0.0 0 0.0 9 35 156 L 156 SER S - 0 0 -142.3 125.7 169.3 -3.2 60.5 167.5 0 0.0 0 0.0 0 0.0 0 0.0 6 25 157 L 157 GLY G S S S+ 0 0 85.5 3.9 -177.2 93.2 99.4 64.7 0 0.0 0 0.0 0 0.0 0 0.0 4 19 158 L 158 ASN N S e S+ 0 0 -115.6 22.4 175.6 76.1 72.3 84.5 0 0.0 180 -2.5 0 0.0 0 0.0 8 32 159 L 159 SER S E E CN - 179 0 -130.1 153.8 170.8 -167.4 53.5 162.6 0 0.0 0 0.0 0 0.0 0 0.0 9 36 160 L 160 GLN Q E E CN - 178 0 -132.4 149.1 -179.7 -172.4 10.4 165.7 178 -1.7 178 -2.9 0 0.0 0 0.0 7 29 161 L 161 GLU E E E CN - 177 0 -137.4 159.7 168.1 -168.2 8.4 162.7 0 0.0 0 0.0 0 0.0 0 0.0 8 36 162 L 162 SER S E E CN - 176 0 -146.0 162.4 -170.8 -145.1 10.8 165.1 176 -2.1 176 -2.5 0 0.0 0 0.0 7 26 163 L 163 VAL V E E CN - 175 0 -129.1 139.4 176.4 -123.3 16.4 160.1 0 0.0 0 0.0 0 0.0 0 0.0 8 32 164 L 164 THR T e - 0 0 -76.0 165.6 169.9 -92.9 36.4 108.2 174 -2.4 0 0.0 0 0.0 0 0.0 8 31 165 L 165 GLU E - 0 0 -67.7 155.6 -178.6 -75.5 62.1 114.5 0 0.0 0 0.0 0 0.0 0 0.0 5 35 166 L 166 GLN Q - 0 0 -60.8 130.8 -175.5 -104.8 59.9 111.7 0 0.0 0 0.0 0 0.0 0 0.0 8 46 167 L 167 ASP D t > T - 0 0 -62.5 133.8 -178.3 -142.6 19.4 110.4 172 -3.2 171 -1.7 0 0.0 0 0.0 9 30 168 L 168 SER S T T 4 TS+ 0 0 -69.8 -27.0 179.9 37.8 97.3 42.4 0 0.0 0 0.0 0 0.0 0 0.0 5 27 169 L 169 LYS K T T 4 TS+ 0 0 -93.2 -41.5 -174.8 15.4 134.5 31.4 0 0.0 0 0.0 0 0.0 0 0.0 4 20 170 L 170 ASP D T T 4 TS- 0 0 -120.9 5.0 173.5 -128.0 88.3 65.1 0 0.0 0 0.0 0 0.0 0 0.0 5 28 171 L 171 SER S t < T + 0 0 62.7 18.6 177.8 131.1 63.9 51.0 167 -1.7 0 0.0 0 0.0 0 0.0 11 37 172 L 172 THR T - 0 0 -93.7 173.6 174.4 -136.9 47.7 116.5 0 0.0 167 -3.2 0 0.0 0 0.0 12 40 173 L 173 TYR Y E E CK - 139 0 -120.8 155.0 170.2 -156.5 8.9 148.1 139 -2.8 139 -3.1 0 0.0 0 0.0 15 42 174 L 174 SER S E E C* - 0 0 -132.8 155.8 -173.3 -156.9 8.8 162.8 0 0.0 164 -2.4 0 0.0 0 0.0 12 43 175 L 175 LEU L E E CKN - 136 163 -137.8 137.5 174.1 -161.2 6.7 175.2 136 -2.4 136 -3.1 0 0.0 0 0.0 11 46 176 L 176 SER S E E CKN - 135 162 -119.8 130.0 174.4 -172.3 9.2 170.4 162 -2.5 162 -2.1 0 0.0 0 0.0 11 43 177 L 177 SER S E E CKN - 134 161 -124.0 131.3 179.1 -160.1 5.5 171.7 134 -2.5 134 -2.9 0 0.0 0 0.0 12 50 178 L 178 THR T E E CKN - 133 160 -115.1 124.8 173.3 -159.3 3.6 160.6 160 -2.9 160 -1.7 0 0.0 180 -0.5 11 47 179 L 179 LEU L E E CKN - 132 159 -95.8 121.1 179.1 -158.4 14.7 153.8 132 -3.1 132 -2.8 0 0.0 181 -0.6 11 50 180 L 180 THR T E E CK + 131 0 -111.7 119.7 173.8 159.6 20.4 161.7 158 -2.5 0 0.0 178 -0.5 0 0.0 10 42 181 L 181 LEU L E E CK - 130 0 -123.8 155.6 170.8 -105.2 44.1 155.2 130 -2.5 130 -2.8 179 -0.6 0 0.0 11 43 182 L 182 SER S E E >CK T - 129 0 -71.9 158.3 177.7 -113.5 37.2 120.2 0 0.0 186 -2.6 0 0.0 0 0.0 9 30 183 L 183 LYS K H H > TS+ 0 0 -55.4 -36.7 -175.7 58.7 116.9 28.5 128 -2.3 187 -2.7 0 0.0 0 0.0 10 30 184 L 184 ALA A H H 4 TS+ 0 0 -61.1 -48.2 174.7 41.4 110.1 19.0 0 0.0 0 0.0 0 0.0 0 0.0 8 22 185 L 185 ASP D H H 4 > TS+ 0 0 -59.4 -48.5 -176.7 56.2 112.0 26.1 0 0.0 188 -1.4 0 0.0 0 0.0 8 31 186 L 186 TYR Y H H < > TS+ 0 0 -56.5 -46.7 -179.9 48.2 107.4 20.6 182 -2.6 189 -1.4 0 0.0 0 0.0 9 44 187 L 187 GLU E T h < 3 TS+ 0 0 -72.6 -6.6 176.0 65.0 102.0 57.7 183 -2.7 0 0.0 0 0.0 0 0.0 8 32 188 L 188 LYS K T T < TS+ 0 0 -91.5 -0.2 -178.3 56.4 101.3 68.9 185 -1.4 0 0.0 0 0.0 0 0.0 6 23 189 L 189 HIS H t < T - 0 0 -134.5 157.2 -173.6 -163.2 58.7 157.2 186 -1.4 0 0.0 0 0.0 0 0.0 9 33 190 L 190 LYS K e + 0 0 -106.2 -54.1 -170.9 58.1 66.3 29.2 0 0.0 211 -3.0 0 0.0 192 -0.6 9 31 191 L 191 VAL V E E D O - 0 210 -99.6 117.7 -179.9 -174.3 55.2 141.2 0 0.0 151 -3.1 0 0.0 0 0.0 12 35 192 L 192 TYR Y E E DLO + 150 209 -107.9 123.9 -178.3 172.2 14.2 156.8 209 -2.4 209 -1.9 190 -0.6 0 0.0 13 51 193 L 193 ALA A E E DLO - 149 208 -137.6 151.9 171.5 -156.9 28.0 168.4 149 -2.9 149 -2.9 0 0.0 0 0.0 13 48 194 L 194 A CYS C E E DLO - 148 207 -122.3 124.7 -177.5 -160.3 16.6 176.4 207 -2.4 207 -2.3 0 0.0 0 0.0 13 55 195 L 195 GLU E E E DLO - 147 206 -111.4 122.2 -172.7 -164.5 9.6 158.2 147 -3.1 147 -2.4 0 0.0 0 0.0 12 49 196 L 196 VAL V E E DLO - 146 205 -115.1 133.9 168.5 -175.1 11.7 156.0 205 -3.4 205 -2.3 0 0.0 0 0.0 12 48 197 L 197 THR T E E DL + 145 0 -121.4 148.6 -173.4 154.8 16.7 161.2 145 -2.2 145 -2.4 0 0.0 0 0.0 11 38 198 L 198 HIS H t > T - 0 0 -168.3 148.0 -179.0 -103.3 56.3 157.9 0 0.0 201 -2.3 0 0.0 0 0.0 11 36 199 L 199 GLN Q T T 3 TS+ 0 0 -47.7 -31.4 -172.8 56.4 121.0 39.8 0 0.0 0 0.0 0 0.0 0 0.0 9 29 200 L 200 GLY G T T 3 TS+ 0 0 -84.5 -13.2 177.4 79.6 92.6 56.3 0 0.0 202 -0.6 0 0.0 0 0.0 9 31 201 L 201 LEU L t < T - 0 0 -103.6 117.4 -177.2 -161.0 61.7 154.2 198 -2.3 0 0.0 0 0.0 0 0.0 9 30 202 L 202 SER S S S S+ 0 0 -72.8 -16.7 177.1 13.4 84.4 43.6 200 -0.6 0 0.0 0 0.0 0 0.0 5 18 203 L 203 SER S S S S- 0 0 -148.6 157.1 -177.0 -77.7 102.5 160.3 0 0.0 0 0.0 0 0.0 0 0.0 5 22 204 L 204 PRO P - 0 0 -62.8 146.8 176.5 -140.6 39.1 106.6 0 0.0 0 0.0 0 0.0 0 0.0 9 27 205 L 205 VAL V E E DO - 196 0 -108.8 125.6 178.3 -168.2 16.8 161.0 196 -2.3 196 -3.4 0 0.0 0 0.0 9 35 206 L 206 THR T E E DO - 195 0 -118.2 125.5 171.1 -171.7 6.2 167.3 0 0.0 0 0.0 0 0.0 0 0.0 8 40 207 L 207 LYS K E E DO + 194 0 -111.2 136.1 -173.6 162.1 22.1 161.2 194 -2.3 194 -2.4 0 0.0 0 0.0 10 42 208 L 208 SER S E E DO - 193 0 -152.6 161.0 173.9 -169.1 22.3 168.1 0 0.0 0 0.0 0 0.0 0 0.0 9 42 209 L 209 PHE F E E DO - 192 0 -143.7 162.5 168.6 -116.9 26.8 164.7 192 -1.9 192 -2.4 0 0.0 0 0.0 10 35 210 L 210 ASN N E E DO > T - 191 0 -101.6 132.6 -178.5 -105.1 43.0 154.0 0 0.0 213 -1.3 0 0.0 0 0.0 8 28 211 L 211 ARG R T e 3 TS+ 0 0 -56.8 137.8 174.5 10.3 98.4 107.2 190 -3.0 0 0.0 0 0.0 0 0.0 10 36 212 L 212 GLY G T T 3 TS+ 0 0 72.8 23.8 -172.2 112.3 100.9 51.5 0 0.0 0 0.0 0 0.0 0 0.0 4 28 213 L 213 GLU E t < T 0 0 -137.5 111.4 178.4 999.9 999.9 159.3 210 -1.3 0 0.0 0 0.0 0 0.0 5 18 214 L 214 CYS C 0 0 -96.2 999.9 999.9 999.9 999.9 129.2 0 0.0 0 0.0 0 0.0 0 0.0 2 15 1c5cL.pdb 1C5C IMMUNE SYSTEM MOL_ID: 1; MOL_ID: 1; author author Kabs/Sand EEEE SEEEE TT EEEEEEESS TT EEEEEE TTS EEEEEETTTEE TTS TTEEEEEETTEEEEEESS GGG SEEEEEE SSSS EE Kabs/Sand chirality -----+-+--+--++-+-------+-+--++-------+-+---++-+-++---++--+++-+----+------+---++++-------++-+------ chirality bends S SS SS SS S SSS SSS SSS SS SSS SS SS S SSSS bends turns TTTT TTTT TTTT TTTTT TTTTTTTT TTTT TTTTT turns 5-turns 5-turns 3-turns >33< >33< >33< >33< >33<>33< >33< >>3<< 3-turns bridge-2 CCCCCC EEEE FF GGGGGG HH II bridge-2 bridge-1 AAAA bbbb AAAA DDDDDD EEE*E FF GGGGGG CCCCCC DDDDDD II bridge-1 sheets AAAA BBBB AAAAAAA BBBBBB BBBBBB BB AAAAAA AAAAAA BBBBBB BB sheets 4-turns >444< 4-turns summary eEEEE eEEEEtTTt EEEEEEEeS tTTeEEEEEEeTTteEEEEEETTTEEeTTttTeEEEEEETeEEEEEEeS gGGGgeEEEEEEeSSSS EEe summary sequence EIQLTQSPSSLSASLGERVSLTCRTSQEISGYLSWLQQKPDGTIKRLIYDATKLDSGAPKRFSGSRSGSDYSLTISSLESEDFADYYCLQYASFPRTFGG sequence 10 20 30 40 50 60 70 80 90 100 author author Kabs/Sand EEEEE B EEEEE HHHHHTTEEEEEEEEEEEBSS EEEEEETTEE SSEEEEE TTT EEEEEEEEEEHHHHTT EEEEEEE TT Kabs/Sand chirality ---+--+-------+------+++++-+---------+-+-++--------+----++---------++-+--------+--++++++-+-+----+-++ chirality bends SSSSSSS S SSS SSS SS SSS SSSSSS SS bends turns TTTTTTTTT TTTT TTTTT TTTTTTTT TTT turns 5-turns >5555< 5-turns 3-turns >>3<< >33< >>3<< >33 3-turns bridge-2 HH KKKKKKKK**K MM NNNNN OOOOOO bridge-2 bridge-1 bbbb A JJJJJ JJJJJ A LLLLLL MM NNNNN K*KKKKKKKK LLLLLL bridge-1 sheets BBBBB CCCCC CCCCCCCCCCC DDDDDD DD CCCCC CCCCCCCCCC DDDDDDD sheets 4-turns >>>4<<< >444< >>44<< 4-turns summary EEEEEe B EEEEE hHHHHHheEEEEEEEEEEEBSS EEEEEEeTEEe SeEEEEEe tTTTt EEEEEEEEEEHHHHhTteEEEEEEEtTT summary sequence GTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQG sequence 110 120 130 140 150 160 170 180 190 200 author author Kabs/Sand SS EEEEEETT Kabs/Sand chirality -+----+---++ chirality bends SS SS bends turns T TTTT turns 5-turns 5-turns 3-turns < >33< 3-turns bridge-2 bridge-2 bridge-1 OOOOOO bridge-1 sheets DDDDDD sheets 4-turns 4-turns summary tSS EEEEEEeTt summary sequence LSSPVTKSFNRGEC sequence 210