A0A077ZC45_TRITR Loading...

U3 small nucleolar ribonucleoprotein

AlphaFold DB , UniProt , Accession A0A077ZC45, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 293 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M68.8Low82.6Confident133 Ų133118.5 Ų118.566%0.65550%0.497SS*.  0-55.30-161.7171.7-175.600113.2R3 R4 Q5 R129 A130M1-R3 PolarHBondContact O-N 3.45Å; M1-R4 WeakPolarHBondContact O-CB 3.46Å; M1-R4 PolarHBondContact O-N 3.28Å; M1-Q5 PolarHBondContact O-N 2.96Å; M1-R129 VanDerWaalsContact CE-O 3.29Å; M1-R129 WeakPolarHBondContact CE-O 3.38Å; M1-A130 VanDerWaalsContact CE-CA 3.45Å; M1-A130 HydrophobicContact CE-CB 4.13Å; M1-A130 HydrophobicContact SD-CB 4.17Å
2Y76.5Confident82.7Confident146 Ų146111.4 Ų111.457%0.57347%0.467SS*.Hα-helixtrans-52.1-46.5-178-64.5-70.4000115.8R4 Q5 A6 E126Y2-R4 VanDerWaalsContact C-N 3.28Å; Y2-R4 PolarHBondContact O-N 3.25Å; Y2-Q5 PolarHBondContact O-N 3.44Å; Y2-A6 PolarHBondContact O-N 3.13Å; Y2-E126 HydrophobicContact CE1-CG 3.96Å; Y2-E126 PolarHBondContact OH-OE2 2.75Å
3R83.8Confident82.7Confident232 Ų232109.9 Ų109.988%0.87547%0.467SS*.Hα-helixtrans-59.6-37.7178.1-70.3-174.1179.8179.30.1112.7M1 R7M1-R3 PolarHBondContact O-N 3.45Å; R3-R7 WeakPolarHBondContact O-CB 3.37Å; R3-R7 PolarHBondContact O-N 3.4Å
4R85Confident83.1Confident174 Ų174113.1 Ų113.166%0.65748%0.477SS*.Hα-helixtrans-64.6-46.3176.9-177.7-177.5175-165.8-1.7110.5M1 Y2 R7 L8M1-R4 WeakPolarHBondContact O-CB 3.46Å; M1-R4 PolarHBondContact O-N 3.28Å; Y2-R4 VanDerWaalsContact C-N 3.28Å; Y2-R4 PolarHBondContact O-N 3.25Å; R4-R7 PolarHBondContact O-N 2.93Å; R4-L8 HydrophobicContact CG-CD1 4.11Å; R4-L8 HydrophobicContact CG-CG 4.5Å; R4-L8 VanDerWaalsContact O-CG 3.31Å; R4-L8 WeakPolarHBondContact O-CG 3.27Å; R4-L8 PolarHBondContact O-N 3.06Å
5Q81.2Confident83.2Confident28 Ų28114 Ų11413%0.13148%0.477CS..Hα-helixtrans-63.7-45.6178.7-69.7174.2-9.700111.9M1 Y2 R7 L8 R9 F156M1-Q5 PolarHBondContact O-N 2.96Å; Y2-Q5 PolarHBondContact O-N 3.44Å; Q5-R7 VanDerWaalsContact C-N 3.28Å; Q5-R7 PolarHBondContact O-N 2.95Å; Q5-L8 PolarHBondContact O-N 3.46Å; Q5-R9 PolarHBondContact O-N 3.15Å; Q5-F156 HydrophobicContact CB-CZ 4.15Å; Q5-F156 WeakPolarHBondContact O-CZ 3.45Å
6A83.2Confident83Confident49 Ų49110.1 Ų110.141%0.40546%0.462SS..Hα-helixtrans-60.6-38.8176.600000112.2Y2 R10Y2-A6 PolarHBondContact O-N 3.13Å; A6-R10 WeakPolarHBondContact O-CG 3.24Å; A6-R10 PolarHBondContact O-N 3.01Å; A6-R10 VanDerWaalsContact O-N 3.14Å
7R88.9Confident83.1Confident145 Ų145107.2 Ų107.255%0.54746%0.46SS..Hα-helixtrans-63.8-51173.9-172.8-172.668.3145.95111.6R3 R4 Q5 R9 R10 E11R3-R7 WeakPolarHBondContact O-CB 3.37Å; R3-R7 PolarHBondContact O-N 3.4Å; R4-R7 PolarHBondContact O-N 2.93Å; Q5-R7 VanDerWaalsContact C-N 3.28Å; Q5-R7 PolarHBondContact O-N 2.95Å; R7-R9 VanDerWaalsContact C-N 3.28Å; R7-R9 PolarHBondContact O-N 2.68Å; R7-R10 WeakPolarHBondContact O-CB 3.19Å; R7-R10 PolarHBondContact O-N 3.38Å; R7-E11 WeakPolarHBondContact CD-OE1 3.3Å; R7-E11 WeakPolarHBondContact CG-OE1 3.33Å; R7-E11 IonicContact CZ-OE1 3.69Å; R7-E11 IonicContact NE-OE1 3.04Å; R7-E11 PolarHBondContact NE-OE1 2.82Å; R7-E11 IonicContact NH1-OE1 2.59Å; R7-E11 WeakPolarHBondContact O-CG 3.32Å; R7-E11 PolarHBondContact O-N 3.07Å
8L86.2Confident83.3Confident54 Ų54104.1 Ų104.128%0.28345%0.448SS..Hα-helixtrans-58.5-40179.2-71171.3000111.8R4 Q5 R10 E11 Y12 F156R4-L8 HydrophobicContact CG-CD1 4.11Å; R4-L8 HydrophobicContact CG-CG 4.5Å; R4-L8 VanDerWaalsContact O-CG 3.31Å; R4-L8 WeakPolarHBondContact O-CG 3.27Å; R4-L8 PolarHBondContact O-N 3.06Å; Q5-L8 PolarHBondContact O-N 3.46Å; L8-R10 PolarHBondContact O-N 3.31Å; L8-E11 PolarHBondContact O-N 3.42Å; L8-Y12 VanDerWaalsContact O-CB 3.32Å; L8-Y12 WeakPolarHBondContact O-CB 3.06Å; L8-Y12 PolarHBondContact O-N 2.9Å; L8-F156 HydrophobicContact CB-CE2 3.57Å; L8-F156 HydrophobicContact CB-CZ 3.93Å
9R81.8Confident83.3Confident85 Ų85100.9 Ų100.932%0.32144%0.436SS..Hα-helixtrans-61.2-43.7174.1-172-180175-162.3-1112.3Q5 R7 Y12 I13 F156Q5-R9 PolarHBondContact O-N 3.15Å; R7-R9 VanDerWaalsContact C-N 3.28Å; R7-R9 PolarHBondContact O-N 2.68Å; R9-Y12 PolarHBondContact O-N 3.06Å; R9-I13 HydrophobicContact CG-CD1 4.01Å; R9-I13 WeakPolarHBondContact O-CG1 3.46Å; R9-I13 PolarHBondContact O-N 3.45Å; R9-F156 HydrophobicContact CB-CD1 3.83Å; R9-F156 HydrophobicContact CB-CE1 3.66Å; R9-F156 HydrophobicContact CB-CG 4.41Å; R9-F156 HydrophobicContact CB-CZ 4.1Å; R9-F156 HydrophobicContact CG-CD1 3.99Å; R9-F156 HydrophobicContact CG-CE1 4.28Å
10R85.7Confident83.2Confident195 Ų19599.2 Ų99.274%0.73644%0.441SS*.Hα-helixtrans-64.7-43.3177.3-72.9178.6-172.8178.71.2111.4A6 R7 L8 Y12 I13 Y14A6-R10 WeakPolarHBondContact O-CG 3.24Å; A6-R10 PolarHBondContact O-N 3.01Å; A6-R10 VanDerWaalsContact O-N 3.14Å; R7-R10 WeakPolarHBondContact O-CB 3.19Å; R7-R10 PolarHBondContact O-N 3.38Å; L8-R10 PolarHBondContact O-N 3.31Å; R10-Y12 VanDerWaalsContact C-N 3.29Å; R10-Y12 PolarHBondContact O-N 3.42Å; R10-I13 PolarHBondContact O-N 3.3Å; R10-Y14 VanDerWaalsContact O-CB 3.24Å; R10-Y14 WeakPolarHBondContact O-CB 3.41Å; R10-Y14 PolarHBondContact O-N 2.85Å
11E87.3Confident83.4Confident62 Ų62102 Ų10229%0.2945%0.453SS..Hα-helixtrans-60.9-39.7175.3-71.7171.5-167.500111.7R7 L8 Y14 R15R7-E11 WeakPolarHBondContact CD-OE1 3.3Å; R7-E11 WeakPolarHBondContact CG-OE1 3.33Å; R7-E11 IonicContact CZ-OE1 3.69Å; R7-E11 IonicContact NE-OE1 3.04Å; R7-E11 PolarHBondContact NE-OE1 2.82Å; R7-E11 IonicContact NH1-OE1 2.59Å; R7-E11 WeakPolarHBondContact O-CG 3.32Å; R7-E11 PolarHBondContact O-N 3.07Å; L8-E11 PolarHBondContact O-N 3.42Å; E11-Y14 PolarHBondContact O-N 3.08Å; E11-R15 WeakPolarHBondContact O-CB 3.29Å; E11-R15 WeakPolarHBondContact O-CG 3.42Å; E11-R15 PolarHBondContact O-N 3.4Å; E11-R15 PolarHBondContact O-NE 2.9Å; E11-R15 IonicContact OE2-NH2 3.83Å
12Y83.6Confident84.2Confident34 Ų34101.2 Ų101.213%0.13345%0.447CS..Hα-helixtrans-65.2-50177175.7-106.3000112.3L8 R9 R10 Y14 R15 K16 H70 E74 F156L8-Y12 VanDerWaalsContact O-CB 3.32Å; L8-Y12 WeakPolarHBondContact O-CB 3.06Å; L8-Y12 PolarHBondContact O-N 2.9Å; R9-Y12 PolarHBondContact O-N 3.06Å; R10-Y12 VanDerWaalsContact C-N 3.29Å; R10-Y12 PolarHBondContact O-N 3.42Å; Y12-Y14 VanDerWaalsContact C-N 3.26Å; Y12-Y14 PolarHBondContact O-N 2.91Å; Y12-R15 PolarHBondContact O-N 3.2Å; Y12-K16 PolarHBondContact O-N 3.32Å; Y12-H70 AromaticContact CE1-NE2 3.95Å; Y12-H70 AromaticContact CE2-NE2 3.83Å; Y12-H70 AromaticContact CZ-CE1 3.59Å; Y12-H70 AromaticContact CZ-NE2 3.36Å; Y12-H70 PolarHBondContact OH-CE1 3.39Å; Y12-H70 PolarHBondContact OH-NE2 3.17Å; Y12-H70 VanDerWaalsContact OH-NE2 3.13Å; Y12-E74 HydrophobicContact CE2-CG 4.22Å; Y12-E74 WeakPolarHBondContact OH-CG 3.24Å; Y12-E74 PolarHBondContact OH-OE1 3.09Å; Y12-F156 HydrophobicContact CD1-CB 4.44Å
13I83.6Confident84.5Confident92 Ų9299 Ų9947%0.47244%0.441SS..Hα-helixtrans-60.6-39.5176-66.4167000110.8R9 R10 K16 S17R9-I13 HydrophobicContact CG-CD1 4.01Å; R9-I13 WeakPolarHBondContact O-CG1 3.46Å; R9-I13 PolarHBondContact O-N 3.45Å; R10-I13 PolarHBondContact O-N 3.3Å; I13-K16 WeakPolarHBondContact O-CB 3.41Å; I13-K16 PolarHBondContact O-N 3.43Å; I13-S17 PolarHBondContact O-N 3.09Å; I13-S17 VanDerWaalsContact O-N 3.07Å
14Y87.8Confident84.7Confident155 Ų15591.7 Ų91.761%0.60842%0.422SS*.Hα-helixtrans-63.6-48.3176.9-177.5-111000111.7R10 E11 Y12 K16 S17 I18R10-Y14 VanDerWaalsContact O-CB 3.24Å; R10-Y14 WeakPolarHBondContact O-CB 3.41Å; R10-Y14 PolarHBondContact O-N 2.85Å; E11-Y14 PolarHBondContact O-N 3.08Å; Y12-Y14 VanDerWaalsContact C-N 3.26Å; Y12-Y14 PolarHBondContact O-N 2.91Å; Y14-K16 PolarHBondContact O-N 2.64Å; Y14-S17 PolarHBondContact O-N 3.42Å; Y14-S17 VanDerWaalsContact O-N 3.11Å; Y14-S17 PolarHBondContact O-OG 2.95Å; Y14-I18 HydrophobicContact CD1-CD1 3.69Å; Y14-I18 HydrophobicContact CE1-CD1 3.2Å; Y14-I18 HydrophobicContact CE1-CG1 4.31Å; Y14-I18 HydrophobicContact CE2-CD1 4.17Å; Y14-I18 HydrophobicContact CG-CD1 4.36Å; Y14-I18 VanDerWaalsContact CZ-CD1 3.47Å; Y14-I18 PolarHBondContact O-N 2.94Å
15R85.3Confident84.8Confident126 Ų12686.4 Ų86.448%0.47541%0.406SS..Hα-helixtrans-55.1-48.3173.8-80.4-178.7-108.5-177.7-9.2112E11 Y12 S17 I18 E19E11-R15 WeakPolarHBondContact O-CB 3.29Å; E11-R15 WeakPolarHBondContact O-CG 3.42Å; E11-R15 PolarHBondContact O-N 3.4Å; E11-R15 PolarHBondContact O-NE 2.9Å; E11-R15 IonicContact OE2-NH2 3.83Å; Y12-R15 PolarHBondContact O-N 3.2Å; R15-S17 VanDerWaalsContact C-N 3.26Å; R15-S17 PolarHBondContact O-N 3.48Å; R15-I18 WeakPolarHBondContact O-CB 3.45Å; R15-I18 PolarHBondContact O-N 3.48Å; R15-E19 PolarHBondContact O-N 2.91Å
16K79.9Confident85Confident52 Ų5286.8 Ų86.823%0.22641%0.409CS..Hα-helixtrans-53.9-42.2175.3-177.7-175.8-172.9-159.40112.7Y12 I13 Y14 E19 A20 H70 E269Y12-K16 PolarHBondContact O-N 3.32Å; I13-K16 WeakPolarHBondContact O-CB 3.41Å; I13-K16 PolarHBondContact O-N 3.43Å; Y14-K16 PolarHBondContact O-N 2.64Å; K16-E19 PolarHBondContact O-N 3.18Å; K16-A20 PolarHBondContact O-N 2.89Å; K16-H70 WeakPolarHBondContact CB-NE2 3.4Å; K16-H70 VanDerWaalsContact CD-NE2 3.32Å; K16-H70 WeakPolarHBondContact CD-NE2 3.35Å; K16-H70 VanDerWaalsContact CG-CD2 3.4Å; K16-H70 WeakPolarHBondContact CG-CD2 3.47Å; K16-H70 VanDerWaalsContact CG-NE2 3.33Å; K16-H70 WeakPolarHBondContact CG-NE2 3.43Å; K16-E269 IonicContact NZ-OE2 3.54Å; K16-E269 PolarHBondContact NZ-OE2 3.3Å
17S83.5Confident85.2Confident61 Ų6188 Ų8843%0.42741%0.406SS..Hα-helixtrans-71.6-29.418073.20000113.7I13 Y14 R15I13-S17 PolarHBondContact O-N 3.09Å; I13-S17 VanDerWaalsContact O-N 3.07Å; Y14-S17 PolarHBondContact O-N 3.42Å; Y14-S17 VanDerWaalsContact O-N 3.11Å; Y14-S17 PolarHBondContact O-OG 2.95Å; R15-S17 VanDerWaalsContact C-N 3.26Å; R15-S17 PolarHBondContact O-N 3.48Å
18I88Confident85.1Confident50 Ų5085 Ų8526%0.25640%0.397SS..Hα-helixtrans-72.5-44.2173.2-71.3168.3000109.6Y14 R15 A20 K21 E22Y14-I18 HydrophobicContact CD1-CD1 3.69Å; Y14-I18 HydrophobicContact CE1-CD1 3.2Å; Y14-I18 HydrophobicContact CE1-CG1 4.31Å; Y14-I18 HydrophobicContact CE2-CD1 4.17Å; Y14-I18 HydrophobicContact CG-CD1 4.36Å; Y14-I18 VanDerWaalsContact CZ-CD1 3.47Å; Y14-I18 PolarHBondContact O-N 2.94Å; R15-I18 WeakPolarHBondContact O-CB 3.45Å; R15-I18 PolarHBondContact O-N 3.48Å; I18-A20 VanDerWaalsContact C-N 3.26Å; I18-A20 PolarHBondContact O-N 3.5Å; I18-K21 WeakPolarHBondContact O-CA 3.43Å; I18-K21 WeakPolarHBondContact O-CB 3.39Å; I18-K21 PolarHBondContact O-N 3.28Å; I18-E22 VanDerWaalsContact CG2-CD 3.44Å; I18-E22 HydrophobicContact CG2-CG 3.79Å; I18-E22 VanDerWaalsContact CG2-OE1 3.22Å; I18-E22 WeakPolarHBondContact CG2-OE1 3.38Å; I18-E22 PolarHBondContact O-N 3Å
19E83Confident85.1Confident45 Ų4583.6 Ų83.621%0.2139%0.389CS..Hα-helixtrans-57.7-38.5-176.7-168.3-167.5145.400112.3R15 K16 K21 E22 K23 H70R15-E19 PolarHBondContact O-N 2.91Å; K16-E19 PolarHBondContact O-N 3.18Å; E19-K21 VanDerWaalsContact C-N 3.25Å; E19-K21 PolarHBondContact O-N 3.03Å; E19-E22 PolarHBondContact O-N 3.25Å; E19-K23 WeakPolarHBondContact O-CB 3.43Å; E19-K23 PolarHBondContact O-N 3.26Å; E19-H70 WeakPolarHBondContact OE1-CB 3.45Å; E19-H70 PolarHBondContact OE1-N 3.33Å; E19-H70 WeakPolarHBondContact OE2-CA 3.24Å; E19-H70 WeakPolarHBondContact OE2-CB 3.48Å; E19-H70 IonicContact OE2-CD2 2.85Å; E19-H70 IonicContact OE2-CG 3.79Å; E19-H70 PolarHBondContact OE2-N 3.27Å
20A81.5Confident85.3Confident65 Ų6584 Ų8454%0.53739%0.394SS..Hα-helixtrans-60.2-36174.900000112.6K16 I18 V24K16-A20 PolarHBondContact O-N 2.89Å; I18-A20 VanDerWaalsContact C-N 3.26Å; I18-A20 PolarHBondContact O-N 3.5Å; A20-V24 WeakPolarHBondContact O-CG2 3.27Å; A20-V24 PolarHBondContact O-N 2.94Å
21K86.2Confident85.4Confident160 Ų16081.4 Ų81.470%0.69638%0.384SS*.Hα-helixtrans-75.2-42.8175.4-61.9179178.9179.70111.2I18 E19 K23 V24 L25I18-K21 WeakPolarHBondContact O-CA 3.43Å; I18-K21 WeakPolarHBondContact O-CB 3.39Å; I18-K21 PolarHBondContact O-N 3.28Å; E19-K21 VanDerWaalsContact C-N 3.25Å; E19-K21 PolarHBondContact O-N 3.03Å; K21-K23 VanDerWaalsContact C-N 3.31Å; K21-K23 PolarHBondContact O-N 3.35Å; K21-V24 PolarHBondContact O-N 3.45Å; K21-L25 PolarHBondContact O-N 3.41Å
22E85.5Confident85.4Confident115 Ų11578.6 Ų78.654%0.53737%0.372SS..Hα-helixtrans-61.8-39.1177.3-72.3178.5168.200111.6I18 E19 L25 L26I18-E22 VanDerWaalsContact CG2-CD 3.44Å; I18-E22 HydrophobicContact CG2-CG 3.79Å; I18-E22 VanDerWaalsContact CG2-OE1 3.22Å; I18-E22 WeakPolarHBondContact CG2-OE1 3.38Å; I18-E22 PolarHBondContact O-N 3Å; E19-E22 PolarHBondContact O-N 3.25Å; E22-L25 CarbonylContact O-C 3.5Å; E22-L25 WeakPolarHBondContact O-CB 3.43Å; E22-L25 PolarHBondContact O-N 3.48Å; E22-L26 VanDerWaalsContact O-CB 3.28Å; E22-L26 WeakPolarHBondContact O-CB 3.26Å; E22-L26 PolarHBondContact O-N 3.31Å
23K84.3Confident85.5Confident100 Ų10081.1 Ų81.144%0.43538%0.383SS..Hα-helixtrans-61.1-46.1175.5-175.2-179.4176.3-168.40112.1E19 K21 L25 L26 E27E19-K23 WeakPolarHBondContact O-CB 3.43Å; E19-K23 PolarHBondContact O-N 3.26Å; K21-K23 VanDerWaalsContact C-N 3.31Å; K21-K23 PolarHBondContact O-N 3.35Å; K23-L25 VanDerWaalsContact C-N 3.27Å; K23-L25 PolarHBondContact O-N 3.14Å; K23-L26 PolarHBondContact O-N 3.35Å; K23-E27 WeakPolarHBondContact CE-OE1 3.43Å; K23-E27 IonicContact NZ-OE1 2.88Å; K23-E27 WeakPolarHBondContact O-CG 3.38Å; K23-E27 PolarHBondContact O-N 3.13Å
24V87.1Confident85.7Confident79 Ų7980.6 Ų80.648%0.47938%0.382SS..Hα-helixtrans-62.3-39.6176.4173.10000110.6A20 K21 K28A20-V24 WeakPolarHBondContact O-CG2 3.27Å; A20-V24 PolarHBondContact O-N 2.94Å; K21-V24 PolarHBondContact O-N 3.45Å; V24-K28 WeakPolarHBondContact O-CG 3.43Å; V24-K28 PolarHBondContact O-N 3.33Å
25L87.3Confident85.8Confident62 Ų6273.7 Ų73.733%0.32536%0.356SS..Hα-helixtrans-65.7-41.5176.4-166.2163.1000111.1K21 E22 K23 K28 K29 L53K21-L25 PolarHBondContact O-N 3.41Å; E22-L25 CarbonylContact O-C 3.5Å; E22-L25 WeakPolarHBondContact O-CB 3.43Å; E22-L25 PolarHBondContact O-N 3.48Å; K23-L25 VanDerWaalsContact C-N 3.27Å; K23-L25 PolarHBondContact O-N 3.14Å; L25-K28 WeakPolarHBondContact O-CB 3.24Å; L25-K28 PolarHBondContact O-N 2.83Å; L25-K29 HydrophobicContact CD2-CD 3.59Å; L25-K29 HydrophobicContact CD2-CG 3.96Å; L25-K29 PolarHBondContact O-N 3.22Å; L25-L53 HydrophobicContact CD2-CD2 4.11Å; L25-L53 HydrophobicContact CG-CD2 4.36Å
26L84.8Confident85.9Confident37 Ų3772 Ų7219%0.19436%0.356CS..Hα-helixtrans-66.4-44.2178.2-173.3150.5000111.8E22 K23 K28 K29 E30 I67E22-L26 VanDerWaalsContact O-CB 3.28Å; E22-L26 WeakPolarHBondContact O-CB 3.26Å; E22-L26 PolarHBondContact O-N 3.31Å; K23-L26 PolarHBondContact O-N 3.35Å; L26-K28 PolarHBondContact O-N 3.47Å; L26-K29 CarbonylContact O-C 3.57Å; L26-K29 WeakPolarHBondContact O-CA 3.4Å; L26-K29 WeakPolarHBondContact O-CB 3.46Å; L26-K29 PolarHBondContact O-N 3.46Å; L26-E30 VanDerWaalsContact CD2-CD 3.43Å; L26-E30 HydrophobicContact CD2-CG 3.85Å; L26-E30 VanDerWaalsContact CD2-OE1 3.24Å; L26-E30 WeakPolarHBondContact CD2-OE1 3.35Å; L26-E30 PolarHBondContact O-N 3Å; L26-I67 HydrophobicContact CD1-CD1 3.69Å; L26-I67 HydrophobicContact CD1-CG1 3.69Å; L26-I67 HydrophobicContact CD2-CD1 3.37Å; L26-I67 HydrophobicContact CD2-CG1 4.28Å; L26-I67 HydrophobicContact CG-CD1 4.17Å
27E87.4Confident86.3Confident74 Ų7475.9 Ų75.935%0.34638%0.375SS..Hα-helixtrans-57.4-35.4173.6-74.5177.8-170.100111.5K23 R31K23-E27 WeakPolarHBondContact CE-OE1 3.43Å; K23-E27 IonicContact NZ-OE1 2.88Å; K23-E27 WeakPolarHBondContact O-CG 3.38Å; K23-E27 PolarHBondContact O-N 3.13Å; E27-R31 VanDerWaalsContact O-CG 3.26Å; E27-R31 WeakPolarHBondContact O-CG 3.28Å; E27-R31 PolarHBondContact O-N 2.94Å; E27-R31 VanDerWaalsContact O-N 3.13Å
28K87.7Confident86.7Confident82 Ų8278.7 Ų78.736%0.35738%0.382SS..Hα-helixtrans-68.5-43.9172.8-67.6177.5177-168.20111.9V24 L25 L26 R31 V32 L46 L53V24-K28 WeakPolarHBondContact O-CG 3.43Å; V24-K28 PolarHBondContact O-N 3.33Å; L25-K28 WeakPolarHBondContact O-CB 3.24Å; L25-K28 PolarHBondContact O-N 2.83Å; L26-K28 PolarHBondContact O-N 3.47Å; K28-R31 PolarHBondContact O-N 3.46Å; K28-V32 WeakPolarHBondContact O-CG2 3.44Å; K28-V32 PolarHBondContact O-N 2.79Å; K28-V32 VanDerWaalsContact O-N 3.08Å; K28-L46 HydrophobicContact CB-CD2 4.04Å; K28-L46 HydrophobicContact CD-CD2 3.86Å; K28-L46 HydrophobicContact CG-CD2 3.84Å; K28-L53 HydrophobicContact CB-CD1 4.05Å
29K86.4Confident86.6Confident25 Ų2579.6 Ų79.611%0.10940%0.403CS..Hα-helixtrans-59.3-46.8175.9-75.6176.4167.6173.40111.8L25 L26 R31 V32 K33 L53 Q56 L60L25-K29 HydrophobicContact CD2-CD 3.59Å; L25-K29 HydrophobicContact CD2-CG 3.96Å; L25-K29 PolarHBondContact O-N 3.22Å; L26-K29 CarbonylContact O-C 3.57Å; L26-K29 WeakPolarHBondContact O-CA 3.4Å; L26-K29 WeakPolarHBondContact O-CB 3.46Å; L26-K29 PolarHBondContact O-N 3.46Å; K29-R31 PolarHBondContact O-N 3.24Å; K29-V32 PolarHBondContact O-N 2.97Å; K29-K33 WeakPolarHBondContact O-CB 3.2Å; K29-K33 PolarHBondContact O-N 3.23Å; K29-L53 HydrophobicContact CG-CB 4.27Å; K29-L53 HydrophobicContact CG-CD2 4.05Å; K29-Q56 VanDerWaalsContact CE-CB 3.46Å; K29-Q56 PolarHBondContact NZ-O 3.4Å; K29-Q56 VanDerWaalsContact NZ-O 3.14Å; K29-L60 HydrophobicContact CD-CD1 3.73Å
30E86.1Confident86.9Confident92 Ų9283.5 Ų83.543%0.4342%0.419SS..Hα-helixtrans-60.6-42.8176.9-73-179.6165.300111.8L26 V32 K33 N34L26-E30 VanDerWaalsContact CD2-CD 3.43Å; L26-E30 HydrophobicContact CD2-CG 3.85Å; L26-E30 VanDerWaalsContact CD2-OE1 3.24Å; L26-E30 WeakPolarHBondContact CD2-OE1 3.35Å; L26-E30 PolarHBondContact O-N 3Å; E30-V32 VanDerWaalsContact C-N 3.32Å; E30-V32 PolarHBondContact O-N 2.88Å; E30-K33 PolarHBondContact O-N 3.23Å; E30-N34 WeakPolarHBondContact O-CB 3.44Å; E30-N34 PolarHBondContact O-N 3.02Å; E30-N34 PolarHBondContact O-ND2 3.33Å; E30-N34 PolarHBondContact O-OD1 3.43Å
31R87Confident87.1Confident141 Ų14191.7 Ų91.753%0.53244%0.437SS..Hα-helixtrans-61.2-39.4175.6-74.5175.8-168.7-1716.1112.7E27 K28 K29 A35 L46E27-R31 VanDerWaalsContact O-CG 3.26Å; E27-R31 WeakPolarHBondContact O-CG 3.28Å; E27-R31 PolarHBondContact O-N 2.94Å; E27-R31 VanDerWaalsContact O-N 3.13Å; K28-R31 PolarHBondContact O-N 3.46Å; K29-R31 PolarHBondContact O-N 3.24Å; R31-A35 VanDerWaalsContact O-CB 3.3Å; R31-A35 WeakPolarHBondContact O-CB 3.33Å; R31-A35 PolarHBondContact O-N 3.25Å; R31-L46 HydrophobicContact CB-CD1 4.11Å
32V87.4Confident87.2Confident4 Ų485.9 Ų85.92%0.02441%0.413CS..Hα-helixtrans-69-45.1176.3175.20000110.5K28 K29 E30 A35 L36 I42 L46 A50 L53K28-V32 WeakPolarHBondContact O-CG2 3.44Å; K28-V32 PolarHBondContact O-N 2.79Å; K28-V32 VanDerWaalsContact O-N 3.08Å; K29-V32 PolarHBondContact O-N 2.97Å; E30-V32 VanDerWaalsContact C-N 3.32Å; E30-V32 PolarHBondContact O-N 2.88Å; V32-A35 PolarHBondContact O-N 3.43Å; V32-L36 HydrophobicContact CG1-CD1 4.06Å; V32-L36 WeakPolarHBondContact O-CG 3.4Å; V32-L36 PolarHBondContact O-N 3.21Å; V32-I42 HydrophobicContact CG1-CD1 4.47Å; V32-I42 HydrophobicContact CG2-CG2 4.42Å; V32-L46 HydrophobicContact CG2-CB 4.2Å; V32-L46 HydrophobicContact CG2-CD1 4.04Å; V32-A50 HydrophobicContact CG1-CB 4.47Å; V32-L53 HydrophobicContact CG2-CD1 4.22Å
33K86.2Confident87.4Confident86 Ų8683.3 Ų83.337%0.37441%0.406SS..Hα-helixtrans-57.8-51.3176.2-173.3179.8175.6-177.60111.3K29 E30 A35 L36 E37K29-K33 WeakPolarHBondContact O-CB 3.2Å; K29-K33 PolarHBondContact O-N 3.23Å; E30-K33 PolarHBondContact O-N 3.23Å; K33-A35 VanDerWaalsContact C-N 3.34Å; K33-A35 PolarHBondContact O-N 2.76Å; K33-L36 PolarHBondContact O-N 3.02Å; K33-L36 VanDerWaalsContact O-N 3.15Å; K33-E37 WeakPolarHBondContact CE-OE1 3.22Å; K33-E37 WeakPolarHBondContact O-CG 3.34Å; K33-E37 PolarHBondContact O-N 2.91Å
34N88.1Confident87.6Confident82 Ų8284.1 Ų84.144%0.43942%0.42SS..Hα-helixtrans-61.8-39.4178.5-66.7-8.2000112.2E30 L36 E37 E38E30-N34 WeakPolarHBondContact O-CB 3.44Å; E30-N34 PolarHBondContact O-N 3.02Å; E30-N34 PolarHBondContact O-ND2 3.33Å; E30-N34 PolarHBondContact O-OD1 3.43Å; N34-L36 VanDerWaalsContact C-N 3.32Å; N34-L36 PolarHBondContact O-N 2.76Å; N34-E37 PolarHBondContact O-N 2.71Å; N34-E38 WeakPolarHBondContact O-CB 3.49Å; N34-E38 WeakPolarHBondContact O-CG 3.41Å; N34-E38 PolarHBondContact O-N 2.79Å
35A89.5Confident87.6Confident9 Ų988.3 Ų88.37%0.07443%0.434CS..Hα-helixtrans-64.2-37.3177.100000112.3R31 V32 K33 G39 K40 I42R31-A35 VanDerWaalsContact O-CB 3.3Å; R31-A35 WeakPolarHBondContact O-CB 3.33Å; R31-A35 PolarHBondContact O-N 3.25Å; V32-A35 PolarHBondContact O-N 3.43Å; K33-A35 VanDerWaalsContact C-N 3.34Å; K33-A35 PolarHBondContact O-N 2.76Å; A35-G39 CarbonylContact O-C 3.52Å; A35-G39 PolarHBondContact O-N 3.25Å; A35-G39 VanDerWaalsContact O-N 3.13Å; A35-K40 PolarHBondContact O-N 3.48Å; A35-I42 HydrophobicContact CB-CG1 4.26Å
36L86.8Confident87.7Confident91 Ų9185.8 Ų85.848%0.47642%0.421SS..Hα-helixtrans-70.6-43.6176.4-70.6166.7000112V32 K33 N34 G39 L54V32-L36 HydrophobicContact CG1-CD1 4.06Å; V32-L36 WeakPolarHBondContact O-CG 3.4Å; V32-L36 PolarHBondContact O-N 3.21Å; K33-L36 PolarHBondContact O-N 3.02Å; K33-L36 VanDerWaalsContact O-N 3.15Å; N34-L36 VanDerWaalsContact C-N 3.32Å; N34-L36 PolarHBondContact O-N 2.76Å; L36-G39 PolarHBondContact O-N 3.31Å; L36-L54 HydrophobicContact CD1-CD1 3.21Å
37E88.6Confident87.7Confident133 Ų13389.1 Ų89.162%0.62144%0.435SS*.Hα-helixtrans-64.4-42177.9-72.7177.7-173.900112.4K33 N34 G39K33-E37 WeakPolarHBondContact CE-OE1 3.22Å; K33-E37 WeakPolarHBondContact O-CG 3.34Å; K33-E37 PolarHBondContact O-N 2.91Å; N34-E37 PolarHBondContact O-N 2.71Å; E37-G39 VanDerWaalsContact C-N 3.27Å; E37-G39 PolarHBondContact O-N 3.29Å
38E90.9Very high87.6Confident121 Ų12190.3 Ų90.357%0.56545%0.451SS*.THydrogen-bonded Turntrans-79.3-8.3177.3-64.8-176.8132.600113.3N34 K40N34-E38 WeakPolarHBondContact O-CB 3.49Å; N34-E38 WeakPolarHBondContact O-CG 3.41Å; N34-E38 PolarHBondContact O-N 2.79Å; E38-K40 HydrophobicContact CB-CD 4.22Å; E38-K40 HydrophobicContact CB-CG 4Å; E38-K40 PolarHBondContact O-N 3.46Å; E38-K40 IonicContact OE1-NZ 3.01Å; E38-K40 PolarHBondContact OE1-NZ 3.46Å; E38-K40 VanDerWaalsContact OE2-CD 3.24Å; E38-K40 WeakPolarHBondContact OE2-CD 3.49Å; E38-K40 WeakPolarHBondContact OE2-CE 3.37Å; E38-K40 IonicContact OE2-NZ 2.68Å; E38-K40 PolarHBondContact OE2-NZ 2.91Å
39G87.3Confident87.6Confident69 Ų6989.5 Ų89.571%0.71145%0.451SS*.THydrogen-bonded Turntrans64.620.2-173.900000114.1A35 L36 E37A35-G39 CarbonylContact O-C 3.52Å; A35-G39 PolarHBondContact O-N 3.25Å; A35-G39 VanDerWaalsContact O-N 3.13Å; L36-G39 PolarHBondContact O-N 3.31Å; E37-G39 VanDerWaalsContact C-N 3.27Å; E37-G39 PolarHBondContact O-N 3.29Å
40K89Confident87.5Confident126 Ų12688.9 Ų88.955%0.54845%0.451SS..PPolyproline II helixtrans-82.3157.7177.1-67.8-179-166.7153.20110.3A35 E38 I42A35-K40 PolarHBondContact O-N 3.48Å; E38-K40 HydrophobicContact CB-CD 4.22Å; E38-K40 HydrophobicContact CB-CG 4Å; E38-K40 PolarHBondContact O-N 3.46Å; E38-K40 IonicContact OE1-NZ 3.01Å; E38-K40 PolarHBondContact OE1-NZ 3.46Å; E38-K40 VanDerWaalsContact OE2-CD 3.24Å; E38-K40 WeakPolarHBondContact OE2-CD 3.49Å; E38-K40 WeakPolarHBondContact OE2-CE 3.37Å; E38-K40 IonicContact OE2-NZ 2.68Å; E38-K40 PolarHBondContact OE2-NZ 2.91Å; K40-I42 PolarHBondContact O-N 2.87Å
41R86.5Confident87.5Confident238 Ų23890 Ų9090%0.89846%0.459SS*.PPolyproline II helixtrans-64.6131.9173.8-68.8-176177.6-175-1.1110
42I88.1Confident87.6Confident38 Ų3889 Ų8920%0.19546%0.461CS..PPolyproline II helixtrans-59.4135.6173.7-59.8173.8000108.9V32 A35 K40 T44 L46 Q47 A50V32-I42 HydrophobicContact CG1-CD1 4.47Å; V32-I42 HydrophobicContact CG2-CG2 4.42Å; A35-I42 HydrophobicContact CB-CG1 4.26Å; K40-I42 PolarHBondContact O-N 2.87Å; I42-T44 PolarHBondContact O-N 2.89Å; I42-L46 HydrophobicContact CG2-CB 4.02Å; I42-Q47 HydrophobicContact CB-CG 4.22Å; I42-Q47 HydrophobicContact CG2-CG 4.18Å; I42-Q47 PolarHBondContact O-NE2 3.22Å; I42-A50 HydrophobicContact CD1-CB 3.95Å
43P88.4Confident87.5Confident60 Ų6089.5 Ų89.539%0.3946%0.463SS..PPolyproline II helixtrans-52136.9175.7-26.834.6000112E45 L46 Q47P43-E45 PolarHBondContact O-N 2.98Å; P43-L46 PolarHBondContact O-N 3.12Å; P43-Q47 PolarHBondContact O-N 3.15Å
44T88.2Confident87.3Confident118 Ų11888.3 Ų88.372%0.72446%0.46SS*.G310 helixtrans-52.4-36.2-173.8-46.80000113.4I42 L46 Q47I42-T44 PolarHBondContact O-N 2.89Å; T44-L46 PolarHBondContact O-N 3.23Å; T44-Q47 PolarHBondContact O-N 3.26Å
45E89Confident87.2Confident166 Ų16689.3 Ų89.378%0.77646%0.462SS*.G310 helixtrans-65.4-23.2179.2-61.2175.5-172.700114.1P43P43-E45 PolarHBondContact O-N 2.98Å
46L88.1Confident86.8Confident10 Ų1092.9 Ų92.95%0.05248%0.477CS..G310 helixtrans-106.5-3.6-175.5-61.8176.7000112.8K28 R31 V32 I42 P43 T44 S48 D49 A50 L53K28-L46 HydrophobicContact CB-CD2 4.04Å; K28-L46 HydrophobicContact CD-CD2 3.86Å; K28-L46 HydrophobicContact CG-CD2 3.84Å; R31-L46 HydrophobicContact CB-CD1 4.11Å; V32-L46 HydrophobicContact CG2-CB 4.2Å; V32-L46 HydrophobicContact CG2-CD1 4.04Å; I42-L46 HydrophobicContact CG2-CB 4.02Å; P43-L46 PolarHBondContact O-N 3.12Å; T44-L46 PolarHBondContact O-N 3.23Å; L46-S48 PolarHBondContact O-N 3.26Å; L46-D49 PolarHBondContact O-N 3.5Å; L46-A50 WeakPolarHBondContact O-CA 3Å; L46-A50 VanDerWaalsContact O-CB 3.29Å; L46-A50 WeakPolarHBondContact O-CB 3.44Å; L46-A50 PolarHBondContact O-N 3.23Å; L46-L53 HydrophobicContact CD2-CD1 4.38Å
47Q84.4Confident86.4Confident107 Ų10790.2 Ų90.250%0.547%0.466SS..THydrogen-bonded Turntrans-65.9-35.9-173.6-73.6177.47.600113.3I42 P43 T44I42-Q47 HydrophobicContact CB-CG 4.22Å; I42-Q47 HydrophobicContact CG2-CG 4.18Å; I42-Q47 PolarHBondContact O-NE2 3.22Å; P43-Q47 PolarHBondContact O-N 3.15Å; T44-Q47 PolarHBondContact O-N 3.26Å
48S86.9Confident85.7Confident98 Ų9890.6 Ų90.669%0.68547%0.468SS*.THydrogen-bonded Turntrans-66.4-41.5176.554.50000112.1L46L46-S48 PolarHBondContact O-N 3.26Å
49D87.6Confident84.8Confident66 Ų6695.1 Ų95.135%0.35348%0.48SS..THydrogen-bonded Turntrans-93.4-5.7-170.8-56.41.6000111.7L46 L51 E52 L53L46-D49 PolarHBondContact O-N 3.5Å; D49-L51 VanDerWaalsContact C-N 3.3Å; D49-L51 PolarHBondContact O-N 3.19Å; D49-E52 PolarHBondContact O-N 3.28Å; D49-L53 HydrophobicContact CB-CD1 4.25Å; D49-L53 HydrophobicContact CB-CG 4.38Å; D49-L53 WeakPolarHBondContact O-CG 3.49Å; D49-L53 PolarHBondContact O-N 3.29Å
50A84.3Confident83.8Confident12 Ų1296.3 Ų96.310%0.09947%0.47CS..Hα-helixtrans-56.9-41.4-171.100000113V32 I42 L46 L53 L54V32-A50 HydrophobicContact CG1-CB 4.47Å; I42-A50 HydrophobicContact CD1-CB 3.95Å; L46-A50 WeakPolarHBondContact O-CA 3Å; L46-A50 VanDerWaalsContact O-CB 3.29Å; L46-A50 WeakPolarHBondContact O-CB 3.44Å; L46-A50 PolarHBondContact O-N 3.23Å; A50-L53 PolarHBondContact O-N 3.46Å; A50-L54 VanDerWaalsContact O-CB 3.27Å; A50-L54 WeakPolarHBondContact O-CB 3.49Å; A50-L54 PolarHBondContact O-N 2.85Å
51L85.8Confident82.4Confident116 Ų11696.8 Ų96.861%0.60748%0.478SS*.Hα-helixtrans-68.1-41.9-178.4-163.1153.4000111.1D49 L54 Q55D49-L51 VanDerWaalsContact C-N 3.3Å; D49-L51 PolarHBondContact O-N 3.19Å; L51-L54 PolarHBondContact O-N 3.07Å; L51-Q55 HydrophobicContact CD2-CG 4.3Å; L51-Q55 WeakPolarHBondContact O-CG 3.39Å; L51-Q55 PolarHBondContact O-N 3.22Å
52E88Confident80.9Confident120 Ų12093.4 Ų93.456%0.56147%0.473SS*.Hα-helixtrans-66.9-44176-64-173.1177.700111.7D49 L54 Q55 Q56D49-E52 PolarHBondContact O-N 3.28Å; E52-L54 VanDerWaalsContact C-N 3.29Å; E52-L54 PolarHBondContact O-N 3.12Å; E52-Q55 PolarHBondContact O-N 3.15Å; E52-Q56 WeakPolarHBondContact O-CB 3.05Å; E52-Q56 VanDerWaalsContact O-CG 3.27Å; E52-Q56 WeakPolarHBondContact O-CG 3.43Å; E52-Q56 PolarHBondContact O-N 3.42Å
53L84.8Confident79.2Confident13 Ų1395.5 Ų95.57%0.06850%0.504CS..Hα-helixtrans-62.7-38.1178.2-71176000111.8L25 K28 K29 V32 L46 D49 A50 Q56 S57L25-L53 HydrophobicContact CD2-CD2 4.11Å; L25-L53 HydrophobicContact CG-CD2 4.36Å; K28-L53 HydrophobicContact CB-CD1 4.05Å; K29-L53 HydrophobicContact CG-CB 4.27Å; K29-L53 HydrophobicContact CG-CD2 4.05Å; V32-L53 HydrophobicContact CG2-CD1 4.22Å; L46-L53 HydrophobicContact CD2-CD1 4.38Å; D49-L53 HydrophobicContact CB-CD1 4.25Å; D49-L53 HydrophobicContact CB-CG 4.38Å; D49-L53 WeakPolarHBondContact O-CG 3.49Å; D49-L53 PolarHBondContact O-N 3.29Å; A50-L53 PolarHBondContact O-N 3.46Å; L53-Q56 PolarHBondContact O-N 2.84Å; L53-S57 WeakPolarHBondContact O-CB 3.15Å; L53-S57 PolarHBondContact O-N 2.72Å
54L83.5Confident77.3Confident61 Ų6194.9 Ų94.932%0.31951%0.508SS..Hα-helixtrans-67.5-49.3176.9-172.9118.1000111.4L36 A50 L51 E52 Q56 S57 E58L36-L54 HydrophobicContact CD1-CD1 3.21Å; A50-L54 VanDerWaalsContact O-CB 3.27Å; A50-L54 WeakPolarHBondContact O-CB 3.49Å; A50-L54 PolarHBondContact O-N 2.85Å; L51-L54 PolarHBondContact O-N 3.07Å; E52-L54 VanDerWaalsContact C-N 3.29Å; E52-L54 PolarHBondContact O-N 3.12Å; L54-Q56 VanDerWaalsContact C-N 3.26Å; L54-Q56 PolarHBondContact O-N 3.23Å; L54-S57 WeakPolarHBondContact CA-OG 3.36Å; L54-S57 WeakPolarHBondContact O-CA 3.5Å; L54-S57 WeakPolarHBondContact O-CB 3.37Å; L54-S57 PolarHBondContact O-N 3.46Å; L54-S57 PolarHBondContact O-OG 3.07Å; L54-E58 PolarHBondContact O-N 2.92Å; L54-E58 VanDerWaalsContact O-N 3.09Å
55Q85.2Confident75.3Confident103 Ų10396.6 Ų96.648%0.48151%0.508SS..Hα-helixtrans-56.1-43.5174.5-75.4-179.8-6.900111.3L51 E52 S57 E58 W59L51-Q55 HydrophobicContact CD2-CG 4.3Å; L51-Q55 WeakPolarHBondContact O-CG 3.39Å; L51-Q55 PolarHBondContact O-N 3.22Å; E52-Q55 PolarHBondContact O-N 3.15Å; Q55-S57 PolarHBondContact O-N 3.06Å; Q55-E58 PolarHBondContact O-N 3.07Å; Q55-W59 PolarHBondContact O-NE1 2.75Å
56Q82.5Confident73.3Confident84 Ų8491.3 Ų91.339%0.39350%0.498SS..Hα-helixtrans-69.7-18.8175.7-69.217911.200114.1K29 E52 L53 L54K29-Q56 VanDerWaalsContact CE-CB 3.46Å; K29-Q56 PolarHBondContact NZ-O 3.4Å; K29-Q56 VanDerWaalsContact NZ-O 3.14Å; E52-Q56 WeakPolarHBondContact O-CB 3.05Å; E52-Q56 VanDerWaalsContact O-CG 3.27Å; E52-Q56 WeakPolarHBondContact O-CG 3.43Å; E52-Q56 PolarHBondContact O-N 3.42Å; L53-Q56 PolarHBondContact O-N 2.84Å; L54-Q56 VanDerWaalsContact C-N 3.26Å; L54-Q56 PolarHBondContact O-N 3.23Å
57S76.7Confident71.3Confident35 Ų3594.6 Ų94.625%0.24552%0.515CS..Hα-helixtrans-81.1-29.4174.770.80000112.5L53 L54 Q55 W59 L60L53-S57 WeakPolarHBondContact O-CB 3.15Å; L53-S57 PolarHBondContact O-N 2.72Å; L54-S57 WeakPolarHBondContact CA-OG 3.36Å; L54-S57 WeakPolarHBondContact O-CA 3.5Å; L54-S57 WeakPolarHBondContact O-CB 3.37Å; L54-S57 PolarHBondContact O-N 3.46Å; L54-S57 PolarHBondContact O-OG 3.07Å; Q55-S57 PolarHBondContact O-N 3.06Å; S57-W59 PolarHBondContact O-N 3.11Å; S57-L60 WeakPolarHBondContact O-CB 3.24Å; S57-L60 PolarHBondContact O-N 3.25Å
58E74.5Confident69.8Low141 Ų14193.1 Ų93.166%0.65951%0.513SS*.Hα-helixtrans-62.8-27.9175.8-68.8175.2172.700112.4L54 Q55L54-E58 PolarHBondContact O-N 2.92Å; L54-E58 VanDerWaalsContact O-N 3.09Å; Q55-E58 PolarHBondContact O-N 3.07Å
59W72.8Confident68.4Low217 Ų21790.5 Ų90.582%0.82250%0.495SS*.THydrogen-bonded Turntrans-82.8-10.5175-57.8100.6000114.2Q55 S57 D61Q55-W59 PolarHBondContact O-NE1 2.75Å; S57-W59 PolarHBondContact O-N 3.11Å; W59-D61 PolarHBondContact O-N 3.2Å
60L65.7Low66.8Low93 Ų9388.3 Ų88.349%0.48748%0.482SS..SBendtrans-83.3100174.7-72167.3000107.2K29 S57 E62K29-L60 HydrophobicContact CD-CD1 3.73Å; S57-L60 WeakPolarHBondContact O-CB 3.24Å; S57-L60 PolarHBondContact O-N 3.25Å; L60-E62 PolarHBondContact O-N 3.37Å
61D58.4Low65.5Low137 Ų13789.1 Ų89.173%0.73349%0.486SS*.  trans-45.4133.3172.5-73.2-28.9000109.9W59 G63 G64W59-D61 PolarHBondContact O-N 3.2Å; D61-G63 PolarHBondContact O-N 2.95Å; D61-G64 PolarHBondContact O-N 3.45Å
62E56.8Low64.3Low166 Ų16686.3 Ų86.378%0.77647%0.471SS*.G310 helixtrans-55.5-19.9174.9-68.5-179157.500112.1L60 G64 E65L60-E62 PolarHBondContact O-N 3.37Å; E62-G64 PolarHBondContact O-N 3.23Å; E62-E65 WeakPolarHBondContact O-CG 3.44Å; E62-E65 PolarHBondContact O-N 3.43Å
63G52.1Low63.4Low82 Ų8282.7 Ų82.785%0.84546%0.456SS*.G310 helixtrans-68.9-6.8170.600000115.2D61D61-G63 PolarHBondContact O-N 2.95Å
64G47.9Very low63.1Low47 Ų4783.1 Ų83.149%0.48546%0.457SS..G310 helixtrans-87.41176.500000114.9D61 E62 G66 I67D61-G64 PolarHBondContact O-N 3.45Å; E62-G64 PolarHBondContact O-N 3.23Å; G64-G66 CarbonylContact O-C 3.52Å; G64-G66 PolarHBondContact O-N 2.9Å; G64-I67 PolarHBondContact O-N 3.49Å
65E45.2Very low63Low155 Ų15580.6 Ų80.672%0.72444%0.444SS*.  trans-59.5-15.3179.6-77.3-172166.700114.1E62 I67E62-E65 WeakPolarHBondContact O-CG 3.44Å; E62-E65 PolarHBondContact O-N 3.43Å; E65-I67 PolarHBondContact O-N 3.26Å
66G47.2Very low62.6Low55 Ų5582.7 Ų82.757%0.56745%0.447SS*.SBendtrans-86.682.9160.400000110.1G64 V68G64-G66 CarbonylContact O-C 3.52Å; G64-G66 PolarHBondContact O-N 2.9Å; G66-V68 VanDerWaalsContact C-N 3.29Å; G66-V68 PolarHBondContact O-N 2.68Å
67I47.8Very low62.3Low78 Ų7887.2 Ų87.240%0.446%0.461SS..  trans-52.5104.4162.9-57.7164.4000105.6L26 G64 E65 S69L26-I67 HydrophobicContact CD1-CD1 3.69Å; L26-I67 HydrophobicContact CD1-CG1 3.69Å; L26-I67 HydrophobicContact CD2-CD1 3.37Å; L26-I67 HydrophobicContact CD2-CG1 4.28Å; L26-I67 HydrophobicContact CG-CD1 4.17Å; G64-I67 PolarHBondContact O-N 3.49Å; E65-I67 PolarHBondContact O-N 3.26Å; I67-S69 PolarHBondContact O-N 3.4Å
68V52.7Low62.3Low76 Ų7687.4 Ų87.446%0.46147%0.465SS..  trans-67.885.6173.2-176.10000104.6G66 D72G66-V68 VanDerWaalsContact C-N 3.29Å; G66-V68 PolarHBondContact O-N 2.68Å; V68-D72 HydrophobicContact CG1-CB 3.97Å
69S56.4Low62.4Low43 Ų4383.5 Ų83.530%0.30146%0.463SS..  trans-55.8145.117769.90000107.8I67 V71 D72I67-S69 PolarHBondContact O-N 3.4Å; S69-V71 PolarHBondContact O-N 3.11Å; S69-D72 WeakPolarHBondContact O-CA 3.42Å; S69-D72 WeakPolarHBondContact O-CB 3.46Å; S69-D72 PolarHBondContact O-N 2.82Å; S69-D72 PolarHBondContact OG-OD2 2.89Å
70H53.5Low63Low21 Ų2178.4 Ų78.410%0.09746%0.455CS..Hα-helixtrans-42.4-34177.7-175.8-87.4000113.4Y12 K16 E19 D72 D73 E74Y12-H70 AromaticContact CE1-NE2 3.95Å; Y12-H70 AromaticContact CE2-NE2 3.83Å; Y12-H70 AromaticContact CZ-CE1 3.59Å; Y12-H70 AromaticContact CZ-NE2 3.36Å; Y12-H70 PolarHBondContact OH-CE1 3.39Å; Y12-H70 PolarHBondContact OH-NE2 3.17Å; Y12-H70 VanDerWaalsContact OH-NE2 3.13Å; K16-H70 WeakPolarHBondContact CB-NE2 3.4Å; K16-H70 VanDerWaalsContact CD-NE2 3.32Å; K16-H70 WeakPolarHBondContact CD-NE2 3.35Å; K16-H70 VanDerWaalsContact CG-CD2 3.4Å; K16-H70 WeakPolarHBondContact CG-CD2 3.47Å; K16-H70 VanDerWaalsContact CG-NE2 3.33Å; K16-H70 WeakPolarHBondContact CG-NE2 3.43Å; E19-H70 WeakPolarHBondContact OE1-CB 3.45Å; E19-H70 PolarHBondContact OE1-N 3.33Å; E19-H70 WeakPolarHBondContact OE2-CA 3.24Å; E19-H70 WeakPolarHBondContact OE2-CB 3.48Å; E19-H70 IonicContact OE2-CD2 2.85Å; E19-H70 IonicContact OE2-CG 3.79Å; E19-H70 PolarHBondContact OE2-N 3.27Å; H70-D72 PolarHBondContact O-N 3.14Å; H70-D72 VanDerWaalsContact O-N 3.15Å; H70-D73 PolarHBondContact O-N 2.87Å; H70-D73 VanDerWaalsContact O-N 3.12Å; H70-E74 IonicContact CE1-OE1 3.9Å; H70-E74 PolarHBondContact CE1-OE1 3.34Å; H70-E74 VanDerWaalsContact CE1-OE1 3.32Å; H70-E74 IonicContact ND1-OE1 2.86Å
71V57.4Low63.9Low29 Ų2978.2 Ų78.218%0.17646%0.458CS..Hα-helixtrans-56.8-24178.3171.50000112.6S69 R198S69-V71 PolarHBondContact O-N 3.11Å; V71-R198 PolarHBondContact O-NH1 2.9Å
72D60.5Low65.4Low56 Ų5676 Ų7630%0.29945%0.446SS..Hα-helixtrans-103.7-16.6178.3-61.7-39000113.3V68 S69 H70 E74 Y75 R76 N201V68-D72 HydrophobicContact CG1-CB 3.97Å; S69-D72 WeakPolarHBondContact O-CA 3.42Å; S69-D72 WeakPolarHBondContact O-CB 3.46Å; S69-D72 PolarHBondContact O-N 2.82Å; S69-D72 PolarHBondContact OG-OD2 2.89Å; H70-D72 PolarHBondContact O-N 3.14Å; H70-D72 VanDerWaalsContact O-N 3.15Å; D72-E74 VanDerWaalsContact C-N 3.35Å; D72-E74 PolarHBondContact O-N 2.92Å; D72-Y75 CarbonylContact O-C 3.57Å; D72-Y75 VanDerWaalsContact O-C 3.3Å; D72-Y75 PolarHBondContact O-N 2.87Å; D72-R76 WeakPolarHBondContact O-CA 3.38Å; D72-R76 PolarHBondContact O-N 2.8Å; D72-N201 PolarHBondContact OD1-ND2 2.8Å
73D69Low67.1Low44 Ų4468.7 Ų68.724%0.23541%0.413CS..Hα-helixtrans-69.1-34.3-178.7-164.332.4000111.8H70 Y75 R76H70-D73 PolarHBondContact O-N 2.87Å; H70-D73 VanDerWaalsContact O-N 3.12Å; D73-Y75 PolarHBondContact O-N 3.35Å; D73-R76 VanDerWaalsContact O-CB 3.24Å; D73-R76 WeakPolarHBondContact O-CB 3.45Å; D73-R76 PolarHBondContact O-N 3.02Å
74E78.5Confident69Low22 Ų2270.7 Ų70.710%0.10340%0.398CS..THydrogen-bonded Turntrans-61.3-37.5175.3-61.7133.5149.300111.4Y12 H70 D72 H153 R198Y12-E74 HydrophobicContact CE2-CG 4.22Å; Y12-E74 WeakPolarHBondContact OH-CG 3.24Å; Y12-E74 PolarHBondContact OH-OE1 3.09Å; H70-E74 IonicContact CE1-OE1 3.9Å; H70-E74 PolarHBondContact CE1-OE1 3.34Å; H70-E74 VanDerWaalsContact CE1-OE1 3.32Å; H70-E74 IonicContact ND1-OE1 2.86Å; D72-E74 VanDerWaalsContact C-N 3.35Å; D72-E74 PolarHBondContact O-N 2.92Å; E74-H153 PolarHBondContact O-NE2 3.02Å; E74-R198 VanDerWaalsContact CD-NH2 3.27Å; E74-R198 IonicContact OE1-CZ 3.4Å; E74-R198 IonicContact OE1-NH2 3.21Å; E74-R198 PolarHBondContact OE1-NH2 3.39Å; E74-R198 IonicContact OE2-CZ 3.72Å; E74-R198 IonicContact OE2-NH1 3.85Å; E74-R198 PolarHBondContact OE2-NH1 3.22Å; E74-R198 IonicContact OE2-NH2 3.59Å; E74-R198 PolarHBondContact OE2-NH2 3.33Å
75Y82.7Confident71.2Confident9 Ų968.5 Ų68.54%0.03538%0.376CS..THydrogen-bonded Turntrans-10217.8-178.1-61.3-73.7000112.4D72 D73 W77 A78 H153 P158 I202 Y205D72-Y75 CarbonylContact O-C 3.57Å; D72-Y75 VanDerWaalsContact O-C 3.3Å; D72-Y75 PolarHBondContact O-N 2.87Å; D73-Y75 PolarHBondContact O-N 3.35Å; Y75-W77 PolarHBondContact O-N 2.6Å; Y75-A78 WeakPolarHBondContact O-CB 3.44Å; Y75-A78 PolarHBondContact O-N 2.86Å; Y75-H153 AromaticContact CD1-CE1 3.79Å; Y75-H153 AromaticContact CD1-NE2 3.8Å; Y75-H153 HydrophobicContact CE1-CB 4.3Å; Y75-H153 AromaticContact CE1-CD2 3.75Å; Y75-H153 AromaticContact CE1-CE1 3.59Å; Y75-H153 AromaticContact CE1-CG 3.6Å; Y75-H153 AromaticContact CE1-ND1 3.48Å; Y75-H153 WeakPolarHBondContact CE1-ND1 3.09Å; Y75-H153 AromaticContact CE1-NE2 3.76Å; Y75-H153 AromaticContact CZ-CG 3.95Å; Y75-P158 HydrophobicContact CE2-CG 4.44Å; Y75-I202 HydrophobicContact CE2-CG1 4.36Å; Y75-I202 WeakPolarHBondContact OH-CG1 3.38Å; Y75-Y205 VanDerWaalsContact CB-CD2 3.48Å; Y75-Y205 AromaticContact CD1-CD2 3.18Å; Y75-Y205 HydrophobicContact CD1-CD2 3.18Å; Y75-Y205 AromaticContact CD1-CE2 3.97Å; Y75-Y205 HydrophobicContact CD1-CE2 3.97Å; Y75-Y205 AromaticContact CD1-CG 3.61Å; Y75-Y205 HydrophobicContact CD1-CG 3.61Å; Y75-Y205 AromaticContact CD2-CD2 3.68Å; Y75-Y205 HydrophobicContact CD2-CD2 3.68Å; Y75-Y205 AromaticContact CD2-CE2 3.82Å; Y75-Y205 HydrophobicContact CD2-CE2 3.82Å; Y75-Y205 AromaticContact CE1-CD2 3.73Å; Y75-Y205 HydrophobicContact CE1-CD2 3.73Å; Y75-Y205 HydrophobicContact CE1-CG 4.16Å; Y75-Y205 HydrophobicContact CE2-CD2 4.18Å; Y75-Y205 AromaticContact CG-CD2 3.14Å; Y75-Y205 HydrophobicContact CG-CD2 3.14Å; Y75-Y205 AromaticContact CG-CE2 3.43Å; Y75-Y205 HydrophobicContact CG-CE2 3.43Å; Y75-Y205 VanDerWaalsContact CG-CE2 3.43Å; Y75-Y205 AromaticContact CG-CG 3.97Å; Y75-Y205 HydrophobicContact CG-CG 3.97Å
76R76Confident73.6Confident146 Ų14661.6 Ų61.655%0.55134%0.344SS*.THydrogen-bonded Turntrans-55.4-32.4-175.6-179-180176.5905.9113.3D72 D73 A78D72-R76 WeakPolarHBondContact O-CA 3.38Å; D72-R76 PolarHBondContact O-N 2.8Å; D73-R76 VanDerWaalsContact O-CB 3.24Å; D73-R76 WeakPolarHBondContact O-CB 3.45Å; D73-R76 PolarHBondContact O-N 3.02Å; R76-A78 VanDerWaalsContact C-N 3.32Å
77W76.9Confident75.9Confident179 Ų17959 Ų5968%0.67832%0.317SS*.THydrogen-bonded Turntrans-89.32.9179.9-58.2108.5000113.6Y75 G79 V80Y75-W77 PolarHBondContact O-N 2.6Å; W77-G79 PolarHBondContact O-N 2.81Å; W77-V80 PolarHBondContact O-N 2.82Å
78A75.7Confident78.2Confident40 Ų4055.2 Ų55.233%0.33130%0.298SS..BIsolated β-bridgetrans-63.1130.4178.800000110.9Y75 R76 Y205Y75-A78 WeakPolarHBondContact O-CB 3.44Å; Y75-A78 PolarHBondContact O-N 2.86Å; R76-A78 VanDerWaalsContact C-N 3.32Å; A78-Y205 HydrophobicContact CB-CD1 3.23Å; A78-Y205 HydrophobicContact CB-CE1 3.23Å; A78-Y205 HydrophobicContact CB-CG 3.99Å
79G77.6Confident80.2Confident59 Ų5951.9 Ų51.961%0.60828%0.278SS*.THydrogen-bonded Turntrans93.5-16.9-177.200000114.7W77W77-G79 PolarHBondContact O-N 2.81Å
80V84.4Confident81.8Confident110 Ų11051.5 Ų51.567%0.66728%0.275SS*.THydrogen-bonded Turntrans-83.4-39.8173-176.10000110.8W77W77-V80 PolarHBondContact O-N 2.82Å
81T85.7Confident83.5Confident88 Ų8855.2 Ų55.254%0.5429%0.292SS..BIsolated β-bridgetrans-124.9138-179.356.50000110.8
82D89.1Confident85Confident90 Ų9060.1 Ų60.148%0.48132%0.317SS..  trans-63.2133.7173.3-74.2-10.2000110.6K84 Y183 P208D82-K84 PolarHBondContact O-N 3.37Å; D82-Y183 PolarHBondContact OD2-OH 2.9Å; D82-P208 HydrophobicContact CB-CB 4.48Å
83P92Very high86.6Confident14 Ų1458.8 Ų58.89%0.09131%0.312CS..  trans-65.4135.1-179.126.6-33.3000110.9I85 T134P83-I85 HydrophobicContact CB-CG1 4.42Å; P83-T134 WeakPolarHBondContact CA-OG1 3.23Å; P83-T134 WeakPolarHBondContact CB-OG1 3.28Å
84K93.2Very high87.8Confident123 Ų12358.3 Ų58.354%0.53531%0.312SS..  trans-105110.7174.3-70.9-177.3-171.1172.10108.1D82 V133 T134 D135D82-K84 PolarHBondContact O-N 3.37Å; K84-V133 WeakPolarHBondContact O-CG1 3.45Å; K84-T134 PolarHBondContact N-OG1 3.47Å; K84-T134 PolarHBondContact O-N 2.83Å; K84-T134 PolarHBondContact O-OG1 3.3Å; K84-T134 VanDerWaalsContact O-OG1 3.11Å; K84-D135 PolarHBondContact O-N 3.49Å
85I94.6Very high88.5Confident2 Ų262.3 Ų62.31%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-107.9130.1-172.5-55.3-178000109.9P83 F108 C111 Q112 D135 I137 L206P83-I85 HydrophobicContact CB-CG1 4.42Å; I85-F108 HydrophobicContact CD1-CB 4.21Å; I85-F108 HydrophobicContact CD1-CD1 4.17Å; I85-F108 HydrophobicContact CD1-CG 4.27Å; I85-C111 HydrophobicContact CB-CB 4.19Å; I85-C111 HydrophobicContact CG2-CB 4.46Å; I85-C111 CarbonylContact O-C 3.59Å; I85-C111 WeakPolarHBondContact O-CA 3.42Å; I85-Q112 PolarHBondContact O-N 3.3Å; I85-D135 WeakPolarHBondContact CA-O 3.4Å; I85-D135 HydrophobicContact CG1-CB 4.22Å; I85-D135 HydrophobicContact CG2-CB 4.48Å; I85-I137 HydrophobicContact CG2-CD1 3.57Å; I85-I137 HydrophobicContact CG2-CG1 3.87Å; I85-L206 HydrophobicContact CD1-CB 3.88Å; I85-L206 HydrophobicContact CD1-CD2 3.93Å; I85-L206 WeakPolarHBondContact CD1-O 3.47Å
86V95.4Very high88.9Confident9 Ų966.6 Ų66.66%0.05536%0.357CS..EExtended strand (participates in β ladder)trans-106123.5169.4169.40000109.4Q112 I114 V133 D135 F136 I137V86-Q112 WeakPolarHBondContact CA-O 3.24Å; V86-I114 HydrophobicContact CG1-CB 4.36Å; V86-I114 HydrophobicContact CG1-CD1 3.49Å; V86-I114 VanDerWaalsContact CG1-CD1 3.49Å; V86-I114 HydrophobicContact CG1-CG1 3.88Å; V86-I114 HydrophobicContact CG2-CD1 4.22Å; V86-V133 HydrophobicContact CB-CG1 4.02Å; V86-V133 HydrophobicContact CG2-CB 4.38Å; V86-V133 HydrophobicContact CG2-CG1 3.72Å; V86-V133 HydrophobicContact CG2-CG2 3.66Å; V86-D135 PolarHBondContact N-O 2.75Å; V86-F136 HydrophobicContact CB-CD2 4.29Å; V86-F136 HydrophobicContact CG1-CD2 4Å; V86-F136 HydrophobicContact CG1-CE2 4.17Å; V86-F136 WeakPolarHBondContact O-CA 3.32Å; V86-I137 PolarHBondContact O-N 2.98Å
87L95.4Very high89.8Confident0 Ų059.7 Ų59.70%033%0.33CS..EExtended strand (participates in β ladder)trans-108130.9176.2-175.7147.5000110.6A101 M104 C111 Q112 R113 I114 I137 L139L87-A101 HydrophobicContact CD2-CB 3.68Å; L87-M104 HydrophobicContact CD1-CB 3.45Å; L87-M104 VanDerWaalsContact CD1-CB 3.45Å; L87-C111 VanDerWaalsContact CB-SG 3.52Å; L87-Q112 PolarHBondContact N-O 3.44Å; L87-R113 HydrophobicContact CD2-CG 4Å; L87-R113 CarbonylContact O-C 3.57Å; L87-R113 WeakPolarHBondContact O-CA 3.35Å; L87-I114 PolarHBondContact O-N 2.9Å; L87-I137 WeakPolarHBondContact CA-O 3.14Å; L87-I137 HydrophobicContact CD1-CG2 4.24Å; L87-I137 HydrophobicContact CG-CB 4.46Å; L87-I137 HydrophobicContact CG-CG2 4.42Å; L87-L139 HydrophobicContact CD1-CD1 4.08Å; L87-L139 HydrophobicContact CD1-CG 4.46Å; L87-L139 HydrophobicContact CD2-CD1 3.93Å; L87-L139 HydrophobicContact CG-CD1 4.27Å; L87-L139 HydrophobicContact CG-CG 4.48Å
88T94.9Very high90.5Very high0 Ų056.3 Ų56.30%032%0.321CS..EExtended strand (participates in β ladder)trans-136.4171.2173.3-156.70000111.6I114 L124 F136 I137 L138 L139T88-I114 PolarHBondContact OG1-O 3.47Å; T88-L124 HydrophobicContact CG2-CD1 4.36Å; T88-F136 HydrophobicContact CG2-CE1 4.19Å; T88-F136 HydrophobicContact CG2-CE2 3.76Å; T88-F136 HydrophobicContact CG2-CZ 3.31Å; T88-I137 PolarHBondContact N-O 3.11Å; T88-L138 HydrophobicContact CG2-CD1 3.65Å; T88-L139 PolarHBondContact O-N 2.91Å
89T94.6Very high91.3Very high6 Ų658.1 Ų58.14%0.03732%0.322CS..EExtended strand (participates in β ladder)trans-112177.2-179.160.40000111P93 L97 A101 R116 L138 L139T89-P93 HydrophobicContact CG2-CB 4.17Å; T89-P93 WeakPolarHBondContact OG1-CG 3.3Å; T89-L97 HydrophobicContact CG2-CD2 4.22Å; T89-L97 HydrophobicContact CG2-CG 4.07Å; T89-A101 HydrophobicContact CG2-CB 3.89Å; T89-R116 WeakPolarHBondContact O-CB 3.32Å; T89-R116 WeakPolarHBondContact O-CG 3.43Å; T89-L138 VanDerWaalsContact O-CD1 3.26Å; T89-L138 WeakPolarHBondContact O-CD1 3.41Å; T89-L139 CarbonylContact C-O 3.52Å; T89-L139 WeakPolarHBondContact CA-O 3.28Å
90S90.6Very high92.1Very high34 Ų3455.3 Ų55.324%0.23829%0.293CS..  trans-55.5168160.664.60000112.2N92 P93 L139S90-N92 PolarHBondContact O-N 3.46Å; S90-P93 WeakPolarHBondContact O-CD 3.37Å; S90-L139 PolarHBondContact N-O 3.48Å
91H88.9Confident92.5Very high100 Ų10050 Ų5046%0.46326%0.261SS..SBendtrans-56.5-48.1-173.6-170.7-60.6000112.8P93H91-P93 WeakPolarHBondContact O-CD 3.11Å
92N90Very high92.8Very high132 Ų13251.3 Ų51.371%0.70626%0.259SS*.SBendtrans-121.481.1-178.8-68.8-18.6000109.8S90S90-N92 PolarHBondContact O-N 3.46Å
93P93.7Very high92.9Very high28 Ų2847 Ų4718%0.18224%0.236CC..  trans-76.8138.7-177.632.2-35.4000111.3T89 S90 H91 L97 K98T89-P93 HydrophobicContact CG2-CB 4.17Å; T89-P93 WeakPolarHBondContact OG1-CG 3.3Å; S90-P93 WeakPolarHBondContact O-CD 3.37Å; H91-P93 WeakPolarHBondContact O-CD 3.11Å; P93-L97 HydrophobicContact CB-CB 4.31Å; P93-L97 HydrophobicContact CB-CD2 3.79Å; P93-L97 HydrophobicContact CB-CG 4.2Å; P93-K98 HydrophobicContact CB-CG 4.2Å; P93-K98 HydrophobicContact CG-CG 4.08Å; P93-K98 WeakPolarHBondContact O-CE 3.38Å
94S93.4Very high92.8Very high34 Ų3446.4 Ų46.424%0.23823%0.232CC..  trans-64.1166.5168.983.50000111.2K96 L97 K98 E141S94-K96 VanDerWaalsContact C-N 3.27Å; S94-K96 PolarHBondContact O-N 3.41Å; S94-K96 PolarHBondContact OG-N 3.16Å; S94-L97 PolarHBondContact O-N 3.38Å; S94-L97 PolarHBondContact OG-N 2.82Å; S94-L97 VanDerWaalsContact OG-N 3.1Å; S94-K98 WeakPolarHBondContact O-CG 3.38Å; S94-K98 PolarHBondContact O-N 2.6Å; S94-E141 VanDerWaalsContact CB-OE1 3.23Å; S94-E141 WeakPolarHBondContact CB-OE1 3.29Å; S94-E141 VanDerWaalsContact CB-OE2 3.24Å; S94-E141 WeakPolarHBondContact CB-OE2 3.38Å; S94-E141 PolarHBondContact N-OE1 3.22Å; S94-E141 VanDerWaalsContact OG-CD 3.3Å; S94-E141 PolarHBondContact OG-OE1 3.5Å; S94-E141 PolarHBondContact OG-OE2 3.29Å
95T93.2Very high92.8Very high106 Ų10646.7 Ų46.765%0.6523%0.23SC*.Hα-helixtrans-60.2-39.3173.8490000111.8K98 Q99T95-K98 PolarHBondContact O-N 3.18Å; T95-Q99 WeakPolarHBondContact O-CG 2.88Å; T95-Q99 PolarHBondContact O-N 3.1Å
96K92.3Very high92.5Very high99 Ų9948.3 Ų48.343%0.4324%0.239SC..Hα-helixtrans-64.9-45177.3-69.9-170.7172.5-167.80111.9S94 K98 Q99 F100 G144 M169S94-K96 VanDerWaalsContact C-N 3.27Å; S94-K96 PolarHBondContact O-N 3.41Å; S94-K96 PolarHBondContact OG-N 3.16Å; K96-K98 VanDerWaalsContact C-N 3.31Å; K96-K98 PolarHBondContact O-N 3.04Å; K96-Q99 WeakPolarHBondContact O-CB 3.48Å; K96-Q99 PolarHBondContact O-N 2.92Å; K96-Q99 VanDerWaalsContact O-N 3.11Å; K96-F100 PolarHBondContact O-N 2.8Å; K96-G144 WeakPolarHBondContact CB-O 3.39Å; K96-G144 VanDerWaalsContact CD-O 3.28Å; K96-G144 WeakPolarHBondContact CD-O 3.46Å; K96-M169 HydrophobicContact CB-CE 4.4Å; K96-M169 HydrophobicContact CB-SD 4.37Å; K96-M169 HydrophobicContact CD-CE 4.14Å; K96-M169 HydrophobicContact CG-CE 4.31Å
97L93.2Very high92.2Very high0 Ų048 Ų480%024%0.237CC..Hα-helixtrans-65.3-34.5176-178.762.8000112.4T89 P93 S94 Q99 F100 A101 L139 E141 P146T89-L97 HydrophobicContact CG2-CD2 4.22Å; T89-L97 HydrophobicContact CG2-CG 4.07Å; P93-L97 HydrophobicContact CB-CB 4.31Å; P93-L97 HydrophobicContact CB-CD2 3.79Å; P93-L97 HydrophobicContact CB-CG 4.2Å; S94-L97 PolarHBondContact O-N 3.38Å; S94-L97 PolarHBondContact OG-N 2.82Å; S94-L97 VanDerWaalsContact OG-N 3.1Å; L97-Q99 VanDerWaalsContact C-N 3.33Å; L97-F100 HydrophobicContact CD1-CD1 4.3Å; L97-F100 PolarHBondContact O-N 3.25Å; L97-A101 VanDerWaalsContact O-CB 3.26Å; L97-A101 WeakPolarHBondContact O-CB 3.32Å; L97-A101 PolarHBondContact O-N 3.33Å; L97-L139 HydrophobicContact CD1-CB 3.93Å; L97-E141 HydrophobicContact CB-CB 4.28Å; L97-E141 VanDerWaalsContact CB-CD 3.43Å; L97-E141 HydrophobicContact CB-CG 4.26Å; L97-E141 WeakPolarHBondContact CB-OE2 2.94Å; L97-E141 HydrophobicContact CD1-CB 4.26Å; L97-E141 HydrophobicContact CD2-CB 3.93Å; L97-E141 HydrophobicContact CD2-CG 3.72Å; L97-E141 HydrophobicContact CG-CB 4.39Å; L97-E141 HydrophobicContact CG-CG 4.49Å; L97-P146 HydrophobicContact CD1-CB 4.34Å
98K93.4Very high91.9Very high109 Ų10948.5 Ų48.547%0.47424%0.238SC..Hα-helixtrans-63.8-38.8172.4-70.9174.9-172.1176.50112P93 S94 T95 K96 K102P93-K98 HydrophobicContact CB-CG 4.2Å; P93-K98 HydrophobicContact CG-CG 4.08Å; P93-K98 WeakPolarHBondContact O-CE 3.38Å; S94-K98 WeakPolarHBondContact O-CG 3.38Å; S94-K98 PolarHBondContact O-N 2.6Å; T95-K98 PolarHBondContact O-N 3.18Å; K96-K98 VanDerWaalsContact C-N 3.31Å; K96-K98 PolarHBondContact O-N 3.04Å; K98-K102 PolarHBondContact O-N 2.86Å; K98-K102 VanDerWaalsContact O-N 3.11Å
99Q92.5Very high91.5Very high77 Ų7749 Ų4936%0.3624%0.242SC..Hα-helixtrans-65-48.1174-72.4169.6-19.600110.8T95 K96 L97 A101 K102 E103T95-Q99 WeakPolarHBondContact O-CG 2.88Å; T95-Q99 PolarHBondContact O-N 3.1Å; K96-Q99 WeakPolarHBondContact O-CB 3.48Å; K96-Q99 PolarHBondContact O-N 2.92Å; K96-Q99 VanDerWaalsContact O-N 3.11Å; L97-Q99 VanDerWaalsContact C-N 3.33Å; Q99-A101 VanDerWaalsContact C-N 3.34Å; Q99-A101 PolarHBondContact O-N 3.19Å; Q99-K102 WeakPolarHBondContact O-CA 3.33Å; Q99-K102 VanDerWaalsContact O-CB 3.29Å; Q99-K102 WeakPolarHBondContact O-CB 3.5Å; Q99-K102 PolarHBondContact O-N 3.14Å; Q99-E103 PolarHBondContact O-N 2.93Å
100F92.9Very high91.1Very high0 Ų051.4 Ų51.40%027%0.268CS..Hα-helixtrans-59.9-42.3176.2-174.1-113.4000112.3K96 L97 K102 E103 M104 L139 P146 L164 V167 M169 P248K96-F100 PolarHBondContact O-N 2.8Å; L97-F100 HydrophobicContact CD1-CD1 4.3Å; L97-F100 PolarHBondContact O-N 3.25Å; F100-K102 VanDerWaalsContact C-N 3.25Å; F100-K102 PolarHBondContact O-N 3.34Å; F100-E103 WeakPolarHBondContact O-CB 3.4Å; F100-E103 PolarHBondContact O-N 3.13Å; F100-M104 HydrophobicContact CD1-CG 4.2Å; F100-M104 HydrophobicContact CE1-CG 3.83Å; F100-M104 HydrophobicContact CE1-SD 4.35Å; F100-M104 HydrophobicContact CE2-CG 4.25Å; F100-M104 HydrophobicContact CE2-SD 4.17Å; F100-M104 HydrophobicContact CZ-CG 3.86Å; F100-M104 HydrophobicContact CZ-SD 3.82Å; F100-M104 WeakPolarHBondContact O-CG 3.49Å; F100-M104 PolarHBondContact O-N 3.27Å; F100-L139 HydrophobicContact CD1-CD1 3.92Å; F100-L139 HydrophobicContact CE1-CD1 4.19Å; F100-L139 HydrophobicContact CE1-CD2 4.11Å; F100-P146 HydrophobicContact CD1-CB 3.6Å; F100-P146 HydrophobicContact CD1-CG 3.87Å; F100-P146 HydrophobicContact CD2-CG 4.2Å; F100-P146 HydrophobicContact CE1-CB 3.73Å; F100-P146 HydrophobicContact CE1-CG 4.06Å; F100-P146 HydrophobicContact CE2-CG 4.37Å; F100-P146 HydrophobicContact CG-CB 4.18Å; F100-P146 HydrophobicContact CG-CG 3.95Å; F100-P146 HydrophobicContact CZ-CB 4.39Å; F100-P146 HydrophobicContact CZ-CG 4.31Å; F100-L164 HydrophobicContact CE1-CD1 4.15Å; F100-L164 HydrophobicContact CZ-CD1 4.25Å; F100-V167 HydrophobicContact CD2-CG1 4.28Å; F100-V167 HydrophobicContact CE2-CG1 3.73Å; F100-V167 HydrophobicContact CZ-CG1 4.21Å; F100-M169 HydrophobicContact CB-SD 4.38Å; F100-M169 HydrophobicContact CD2-CG 4.26Å; F100-P248 HydrophobicContact CE2-CB 4.22Å
101A93.8Very high91.2Very high0 Ų050.2 Ų50.20%026%0.26CS..Hα-helixtrans-61-32.5173.700000112.9L87 T89 L97 Q99 R105 L139L87-A101 HydrophobicContact CD2-CB 3.68Å; T89-A101 HydrophobicContact CG2-CB 3.89Å; L97-A101 VanDerWaalsContact O-CB 3.26Å; L97-A101 WeakPolarHBondContact O-CB 3.32Å; L97-A101 PolarHBondContact O-N 3.33Å; Q99-A101 VanDerWaalsContact C-N 3.34Å; Q99-A101 PolarHBondContact O-N 3.19Å; A101-R105 WeakPolarHBondContact O-CB 3.32Å; A101-R105 PolarHBondContact O-N 3.25Å; A101-R105 VanDerWaalsContact O-N 3.08Å; A101-L139 HydrophobicContact CB-CD1 3.95Å
102K91.4Very high91.4Very high114 Ų11451.9 Ų51.950%0.49627%0.268SS..Hα-helixtrans-70.5-39.7173.1-171.6-175.4177.6-1740111.1K98 Q99 F100 R105 I106K98-K102 PolarHBondContact O-N 2.86Å; K98-K102 VanDerWaalsContact O-N 3.11Å; Q99-K102 WeakPolarHBondContact O-CA 3.33Å; Q99-K102 VanDerWaalsContact O-CB 3.29Å; Q99-K102 WeakPolarHBondContact O-CB 3.5Å; Q99-K102 PolarHBondContact O-N 3.14Å; F100-K102 VanDerWaalsContact C-N 3.25Å; F100-K102 PolarHBondContact O-N 3.34Å; K102-R105 PolarHBondContact O-N 2.9Å; K102-I106 WeakPolarHBondContact O-CG1 3.49Å; K102-I106 PolarHBondContact O-N 3.42Å
103E90.5Very high91.6Very high0 Ų049.7 Ų49.70%025%0.249CC..Hα-helixtrans-62.9-47.5174.7-64.6174.9-170.400111.5Q99 F100 R105 I106 F107 R170 H171Q99-E103 PolarHBondContact O-N 2.93Å; F100-E103 WeakPolarHBondContact O-CB 3.4Å; F100-E103 PolarHBondContact O-N 3.13Å; E103-R105 VanDerWaalsContact C-N 3.28Å; E103-R105 PolarHBondContact O-N 2.66Å; E103-I106 PolarHBondContact O-N 3.33Å; E103-I106 VanDerWaalsContact O-N 3.13Å; E103-F107 WeakPolarHBondContact O-CB 3.31Å; E103-F107 PolarHBondContact O-N 3.32Å; E103-R170 HydrophobicContact CG-CB 3.92Å; E103-R170 WeakPolarHBondContact OE1-CA 3.44Å; E103-R170 WeakPolarHBondContact OE1-CB 3.47Å; E103-R170 PolarHBondContact OE1-N 2.89Å; E103-R170 PolarHBondContact OE2-N 3.37Å; E103-H171 IonicContact OE1-CE1 2.75Å; E103-H171 IonicContact OE1-CG 3.77Å; E103-H171 PolarHBondContact OE1-N 2.83Å; E103-H171 IonicContact OE1-ND1 3.9Å; E103-H171 PolarHBondContact OE1-ND1 3.38Å
104M91.6Very high91.6Very high1 Ų151.1 Ų51.11%0.00526%0.255CS..Hα-helixtrans-63.6-33178.4-67.1-55.9-64.200112.6L87 F100 F107 F108 L139 I149 P248 F250L87-M104 HydrophobicContact CD1-CB 3.45Å; L87-M104 VanDerWaalsContact CD1-CB 3.45Å; F100-M104 HydrophobicContact CD1-CG 4.2Å; F100-M104 HydrophobicContact CE1-CG 3.83Å; F100-M104 HydrophobicContact CE1-SD 4.35Å; F100-M104 HydrophobicContact CE2-CG 4.25Å; F100-M104 HydrophobicContact CE2-SD 4.17Å; F100-M104 HydrophobicContact CZ-CG 3.86Å; F100-M104 HydrophobicContact CZ-SD 3.82Å; F100-M104 WeakPolarHBondContact O-CG 3.49Å; F100-M104 PolarHBondContact O-N 3.27Å; M104-F107 HydrophobicContact CE-CD1 3.92Å; M104-F107 HydrophobicContact CE-CE1 4.44Å; M104-F107 WeakPolarHBondContact O-CB 3.41Å; M104-F107 PolarHBondContact O-N 2.8Å; M104-F108 HydrophobicContact CE-CD2 4.3Å; M104-F108 HydrophobicContact CE-CE2 3.51Å; M104-F108 HydrophobicContact CE-CZ 4.16Å; M104-F108 WeakPolarHBondContact O-CD2 3.36Å; M104-F108 PolarHBondContact O-N 3.13Å; M104-F108 VanDerWaalsContact O-N 3.11Å; M104-L139 HydrophobicContact CB-CD1 4.43Å; M104-L139 HydrophobicContact CG-CD1 4.21Å; M104-I149 HydrophobicContact CE-CD1 4.21Å; M104-P248 HydrophobicContact SD-CG 4.48Å; M104-F250 HydrophobicContact CE-CZ 4.45Å; M104-F250 HydrophobicContact SD-CE1 4.25Å
105R92.5Very high91.4Very high129 Ų12954.4 Ų54.449%0.48727%0.27SS..Hα-helixtrans-62.1-45.1172.2-179.2-163.4162.4-172.5-7.6112A101 K102 E103 F107 C111 R113A101-R105 WeakPolarHBondContact O-CB 3.32Å; A101-R105 PolarHBondContact O-N 3.25Å; A101-R105 VanDerWaalsContact O-N 3.08Å; K102-R105 PolarHBondContact O-N 2.9Å; E103-R105 VanDerWaalsContact C-N 3.28Å; E103-R105 PolarHBondContact O-N 2.66Å; R105-F107 VanDerWaalsContact C-N 3.26Å; R105-C111 WeakPolarHBondContact CG-O 3.47Å; R105-R113 HydrophobicContact CB-CB 4.4Å; R105-R113 HydrophobicContact CG-CB 4.3Å
106I89Confident91.2Very high37 Ų3750.3 Ų50.319%0.1924%0.243CC..Hα-helixtrans-72-30.6-180-57.1164.4000109.8K102 E103 M179 E181K102-I106 WeakPolarHBondContact O-CG1 3.49Å; K102-I106 PolarHBondContact O-N 3.42Å; E103-I106 PolarHBondContact O-N 3.33Å; E103-I106 VanDerWaalsContact O-N 3.13Å; I106-M179 HydrophobicContact CB-SD 4.19Å; I106-M179 HydrophobicContact CG2-CB 3.93Å; I106-M179 HydrophobicContact CG2-CG 4.04Å; I106-M179 HydrophobicContact CG2-SD 3.5Å; I106-M179 WeakPolarHBondContact CG2-SD 3.34Å; I106-E181 HydrophobicContact CG2-CG 4.39Å
107F89Confident90.9Very high3 Ų347.5 Ų47.51%0.01324%0.242CC..Hα-helixtrans-62.2-52176.8169.9-111.1000112.5E103 M104 R105 P109 F207 R216 V218 F229E103-F107 WeakPolarHBondContact O-CB 3.31Å; E103-F107 PolarHBondContact O-N 3.32Å; M104-F107 HydrophobicContact CE-CD1 3.92Å; M104-F107 HydrophobicContact CE-CE1 4.44Å; M104-F107 WeakPolarHBondContact O-CB 3.41Å; M104-F107 PolarHBondContact O-N 2.8Å; R105-F107 VanDerWaalsContact C-N 3.26Å; F107-P109 VanDerWaalsContact O-CD 3.28Å; F107-P109 WeakPolarHBondContact O-CD 3.43Å; F107-F207 AromaticContact CE1-CE1 3.81Å; F107-F207 HydrophobicContact CE1-CE1 3.81Å; F107-F207 AromaticContact CE1-CZ 3.51Å; F107-F207 HydrophobicContact CE1-CZ 3.51Å; F107-F207 HydrophobicContact CE2-CE1 4.05Å; F107-F207 HydrophobicContact CE2-CZ 4.22Å; F107-F207 AromaticContact CZ-CE1 3.48Å; F107-F207 HydrophobicContact CZ-CE1 3.48Å; F107-F207 VanDerWaalsContact CZ-CE1 3.48Å; F107-F207 AromaticContact CZ-CZ 3.25Å; F107-F207 HydrophobicContact CZ-CZ 3.25Å; F107-R216 VanDerWaalsContact CD2-NH2 3.34Å; F107-R216 PolarHBondContact O-NH1 2.69Å; F107-R216 PolarHBondContact O-NH2 2.9Å; F107-V218 HydrophobicContact CE2-CB 4.45Å; F107-V218 HydrophobicContact CE2-CG1 3.94Å; F107-V218 HydrophobicContact CE2-CG2 3.61Å; F107-V218 HydrophobicContact CZ-CG1 3.89Å; F107-V218 HydrophobicContact CZ-CG2 4.29Å; F107-F229 AromaticContact CD2-CZ 3.83Å; F107-F229 HydrophobicContact CD2-CZ 3.83Å; F107-F229 HydrophobicContact CE1-CE2 4.03Å; F107-F229 AromaticContact CE1-CZ 3.97Å; F107-F229 HydrophobicContact CE1-CZ 3.97Å; F107-F229 HydrophobicContact CE2-CE1 4.45Å; F107-F229 AromaticContact CE2-CE2 3.66Å; F107-F229 HydrophobicContact CE2-CE2 3.66Å; F107-F229 AromaticContact CE2-CZ 3.25Å; F107-F229 HydrophobicContact CE2-CZ 3.25Å; F107-F229 HydrophobicContact CG-CZ 4.44Å; F107-F229 AromaticContact CZ-CE2 3.28Å; F107-F229 HydrophobicContact CZ-CE2 3.28Å; F107-F229 AromaticContact CZ-CZ 3.3Å; F107-F229 HydrophobicContact CZ-CZ 3.3Å
108F89.4Confident90.7Very high9 Ų956 Ų564%0.03928%0.281CS..SBendtrans-84.3111.1178.6-68.9-67.7000110.6I85 M104 G110 C111 I137 L206 F207I85-F108 HydrophobicContact CD1-CB 4.21Å; I85-F108 HydrophobicContact CD1-CD1 4.17Å; I85-F108 HydrophobicContact CD1-CG 4.27Å; M104-F108 HydrophobicContact CE-CD2 4.3Å; M104-F108 HydrophobicContact CE-CE2 3.51Å; M104-F108 HydrophobicContact CE-CZ 4.16Å; M104-F108 WeakPolarHBondContact O-CD2 3.36Å; M104-F108 PolarHBondContact O-N 3.13Å; M104-F108 VanDerWaalsContact O-N 3.11Å; F108-G110 PolarHBondContact O-N 2.85Å; F108-C111 HydrophobicContact CB-CB 3.6Å; F108-C111 WeakPolarHBondContact O-CB 3.42Å; F108-C111 PolarHBondContact O-N 2.72Å; F108-C111 VanDerWaalsContact O-N 3.11Å; F108-I137 HydrophobicContact CD2-CD1 3.9Å; F108-I137 HydrophobicContact CE2-CD1 3.46Å; F108-I137 VanDerWaalsContact CE2-CD1 3.46Å; F108-I137 HydrophobicContact CZ-CD1 3.89Å; F108-L206 HydrophobicContact CD1-CB 4.1Å; F108-L206 HydrophobicContact CE1-CB 3.77Å; F108-L206 HydrophobicContact CE1-CD1 3.85Å; F108-L206 HydrophobicContact CE1-CG 4.42Å; F108-L206 HydrophobicContact CZ-CD1 4.02Å; F108-F207 HydrophobicContact CD1-CD1 4.32Å; F108-F207 AromaticContact CD1-CE1 3.62Å; F108-F207 HydrophobicContact CD1-CE1 3.62Å; F108-F207 HydrophobicContact CD1-CE2 4.38Å; F108-F207 AromaticContact CD1-CZ 3.64Å; F108-F207 HydrophobicContact CD1-CZ 3.64Å; F108-F207 AromaticContact CE1-CE1 3.89Å; F108-F207 HydrophobicContact CE1-CE1 3.89Å; F108-F207 AromaticContact CE1-CE2 3.95Å; F108-F207 HydrophobicContact CE1-CE2 3.95Å; F108-F207 AromaticContact CE1-CZ 3.38Å; F108-F207 HydrophobicContact CE1-CZ 3.38Å; F108-F207 HydrophobicContact CZ-CZ 4.5Å
109P86.6Confident90.5Very high10 Ų1057.5 Ų57.57%0.06529%0.285CS..THydrogen-bonded Turntrans-61135.6174.228.9-35.9000109.8F107 C111 Y183 P208F107-P109 VanDerWaalsContact O-CD 3.28Å; F107-P109 WeakPolarHBondContact O-CD 3.43Å; P109-C111 VanDerWaalsContact C-N 3.31Å; P109-C111 PolarHBondContact O-N 3.03Å; P109-Y183 HydrophobicContact CB-CD1 3.6Å; P109-Y183 HydrophobicContact CB-CE1 3.72Å; P109-Y183 HydrophobicContact CG-CD1 3.94Å; P109-Y183 HydrophobicContact CG-CE1 4.36Å; P109-P208 HydrophobicContact CB-CG 4.2Å; P109-P208 HydrophobicContact CG-CG 3.56Å
110G85.4Confident90.4Very high58 Ų5859.1 Ų59.160%0.59829%0.293SS*.THydrogen-bonded Turntrans81.22.2-175.800000115.3F108F108-G110 PolarHBondContact O-N 2.85Å
111C92.9Very high90.2Very high9 Ų961.2 Ų61.26%0.06130%0.303CS..EExtended strand (participates in β ladder)trans-77.4132.3179.4-175.20000113.3I85 L87 R105 F108 P109I85-C111 HydrophobicContact CB-CB 4.19Å; I85-C111 HydrophobicContact CG2-CB 4.46Å; I85-C111 CarbonylContact O-C 3.59Å; I85-C111 WeakPolarHBondContact O-CA 3.42Å; L87-C111 VanDerWaalsContact CB-SG 3.52Å; R105-C111 WeakPolarHBondContact CG-O 3.47Å; F108-C111 HydrophobicContact CB-CB 3.6Å; F108-C111 WeakPolarHBondContact O-CB 3.42Å; F108-C111 PolarHBondContact O-N 2.72Å; F108-C111 VanDerWaalsContact O-N 3.11Å; P109-C111 VanDerWaalsContact C-N 3.31Å; P109-C111 PolarHBondContact O-N 3.03Å
112Q93.4Very high90Very high135 Ų13567.4 Ų67.463%0.63133%0.33SS*.EExtended strand (participates in β ladder)trans-109.9128.3173.5-62.7-172.2500110.5I85 V86 L87I85-Q112 PolarHBondContact O-N 3.3Å; V86-Q112 WeakPolarHBondContact CA-O 3.24Å; L87-Q112 PolarHBondContact N-O 3.44Å
113R93.5Very high90Very high85 Ų8567.5 Ų67.532%0.32133%0.33SS..EExtended strand (participates in β ladder)trans-91.9123.7178.4-171.1-170.770.373.37.4110.3L87 R105 N115L87-R113 HydrophobicContact CD2-CG 4Å; L87-R113 CarbonylContact O-C 3.57Å; L87-R113 WeakPolarHBondContact O-CA 3.35Å; R105-R113 HydrophobicContact CB-CB 4.4Å; R105-R113 HydrophobicContact CG-CB 4.3Å; R113-N115 PolarHBondContact NH1-OD1 2.97Å; R113-N115 PolarHBondContact NH2-OD1 3.35Å
114I92.9Very high90Very high59 Ų5968.1 Ų68.130%0.30333%0.334SS..  trans-111.1131.1176.3-59.9-176.4000110V86 L87 T88 R116V86-I114 HydrophobicContact CG1-CB 4.36Å; V86-I114 HydrophobicContact CG1-CD1 3.49Å; V86-I114 VanDerWaalsContact CG1-CD1 3.49Å; V86-I114 HydrophobicContact CG1-CG1 3.88Å; V86-I114 HydrophobicContact CG2-CD1 4.22Å; L87-I114 PolarHBondContact O-N 2.9Å; T88-I114 PolarHBondContact OG1-O 3.47Å; I114-R116 PolarHBondContact O-N 3.45Å
115N91.2Very high90Very high102 Ų10268.1 Ų68.155%0.54533%0.333SS..  trans-69.2123.5172.8-68.9-30000109.9R113R113-N115 PolarHBondContact NH1-OD1 2.97Å; R113-N115 PolarHBondContact NH2-OD1 3.35Å
116R87.2Confident89.9Confident20 Ų2064.9 Ų64.98%0.07532%0.324CS..  trans-65-49-176.8-17561.4173.813613113.4T89 I114 Q118 Y119 E120 M121T89-R116 WeakPolarHBondContact O-CB 3.32Å; T89-R116 WeakPolarHBondContact O-CG 3.43Å; I114-R116 PolarHBondContact O-N 3.45Å; R116-Q118 PolarHBondContact O-N 3.36Å; R116-Y119 PolarHBondContact NH1-O 2.88Å; R116-Y119 PolarHBondContact NH2-O 2.91Å; R116-Y119 WeakPolarHBondContact O-CB 3.19Å; R116-Y119 WeakPolarHBondContact O-CD2 3.32Å; R116-Y119 PolarHBondContact O-N 3.5Å; R116-Y119 VanDerWaalsContact O-N 3.12Å; R116-E120 VanDerWaalsContact NH1-C 3.31Å; R116-E120 PolarHBondContact NH1-O 3.37Å; R116-M121 PolarHBondContact NH2-SD 3.06Å
117G86.3Confident90Very high40 Ų4065.3 Ų65.341%0.41233%0.333SS..THydrogen-bonded Turntrans48.9-135.1-178.800000112.6
118Q89.2Confident90.1Very high179 Ų17965.4 Ų65.484%0.83633%0.334SS*.THydrogen-bonded Turntrans-93.414.4177.6-64.4177.8-12.300113.3R116 E120R116-Q118 PolarHBondContact O-N 3.36Å; Q118-E120 PolarHBondContact O-N 3.14Å
119Y89.8Confident90.2Very high141 Ų14166.2 Ų66.255%0.55334%0.337SS*.  trans-67.7137.6179.4-70.7-67.6000110.6R116 L124R116-Y119 PolarHBondContact NH1-O 2.88Å; R116-Y119 PolarHBondContact NH2-O 2.91Å; R116-Y119 WeakPolarHBondContact O-CB 3.19Å; R116-Y119 WeakPolarHBondContact O-CD2 3.32Å; R116-Y119 PolarHBondContact O-N 3.5Å; R116-Y119 VanDerWaalsContact O-N 3.12Å; Y119-L124 HydrophobicContact CD2-CD2 4.23Å; Y119-L124 HydrophobicContact CG-CD2 3.98Å
120E90.3Very high90.3Very high111 Ų11168.1 Ų68.152%0.51935%0.354SS..  trans-72.5153.9169-68.5172.5173.200110.4R116 Q118 K122 K123 L124R116-E120 VanDerWaalsContact NH1-C 3.31Å; R116-E120 PolarHBondContact NH1-O 3.37Å; Q118-E120 PolarHBondContact O-N 3.14Å; E120-K122 VanDerWaalsContact C-N 3.35Å; E120-K123 HydrophobicContact CB-CG 4.45Å; E120-K123 WeakPolarHBondContact OE2-CE 3.36Å; E120-K123 IonicContact OE2-NZ 3.33Å; E120-L124 PolarHBondContact O-N 2.9Å
121M89.3Confident90.6Very high44 Ų4470.7 Ų70.722%0.21735%0.354CS..Hα-helixtrans-67-38.8179.9-62.4-76.622.700111.7R116 K123 L124 V125 F136 L138 V262R116-M121 PolarHBondContact NH2-SD 3.06Å; M121-K123 PolarHBondContact O-N 2.92Å; M121-L124 HydrophobicContact CE-CB 4.45Å; M121-L124 HydrophobicContact CE-CD1 3.96Å; M121-L124 PolarHBondContact O-N 2.9Å; M121-V125 WeakPolarHBondContact O-CG2 3.44Å; M121-V125 PolarHBondContact O-N 2.9Å; M121-F136 HydrophobicContact CE-CE1 3.89Å; M121-F136 HydrophobicContact CE-CZ 3.53Å; M121-L138 HydrophobicContact SD-CD2 4.3Å; M121-V262 HydrophobicContact SD-CG1 4.49Å
122K89.7Confident90.4Very high129 Ų12976.2 Ų76.256%0.56138%0.382SS*.Hα-helixtrans-56.6-50.6179.5-65.2-174.8177177.90111.3E120 L124 V125 E126 D263E120-K122 VanDerWaalsContact C-N 3.35Å; K122-L124 VanDerWaalsContact C-N 3.35Å; K122-L124 PolarHBondContact O-N 3.26Å; K122-V125 PolarHBondContact O-N 2.9Å; K122-E126 WeakPolarHBondContact O-CB 3.48Å; K122-E126 VanDerWaalsContact O-CG 3.27Å; K122-E126 WeakPolarHBondContact O-CG 3.31Å; K122-E126 PolarHBondContact O-N 3.02Å; K122-D263 HydrophobicContact CG-CB 4.17Å
123K90.6Very high90.4Very high117 Ų11770.4 Ų70.451%0.50936%0.356SS..Hα-helixtrans-61.5-38.4177.8-66.9-178.9-177170.60113E120 M121 A127E120-K123 HydrophobicContact CB-CG 4.45Å; E120-K123 WeakPolarHBondContact OE2-CE 3.36Å; E120-K123 IonicContact OE2-NZ 3.33Å; M121-K123 PolarHBondContact O-N 2.92Å; K123-A127 WeakPolarHBondContact O-CB 3.49Å; K123-A127 PolarHBondContact O-N 2.93Å
124L91.5Very high90.3Very high13 Ų1367.8 Ų67.87%0.06835%0.35CS..Hα-helixtrans-65.2-45.6175.1-77.5-163.4000111.9T88 Y119 E120 M121 K122 E126 A127 C128 F136T88-L124 HydrophobicContact CG2-CD1 4.36Å; Y119-L124 HydrophobicContact CD2-CD2 4.23Å; Y119-L124 HydrophobicContact CG-CD2 3.98Å; E120-L124 PolarHBondContact O-N 2.9Å; M121-L124 HydrophobicContact CE-CB 4.45Å; M121-L124 HydrophobicContact CE-CD1 3.96Å; M121-L124 PolarHBondContact O-N 2.9Å; K122-L124 VanDerWaalsContact C-N 3.35Å; K122-L124 PolarHBondContact O-N 3.26Å; L124-E126 VanDerWaalsContact C-N 3.33Å; L124-E126 PolarHBondContact O-N 2.84Å; L124-A127 PolarHBondContact O-N 2.89Å; L124-C128 WeakPolarHBondContact O-CB 3.28Å; L124-C128 PolarHBondContact O-N 2.81Å; L124-C128 PolarHBondContact O-SG 2.86Å; L124-F136 HydrophobicContact CD1-CE2 4.34Å; L124-F136 HydrophobicContact CD1-CZ 4.32Å
125V91.3Very high90.3Very high0 Ų065 Ų650%034%0.335CS..Hα-helixtrans-64.5-41.1179174.20000110.5M121 K122 C128 R129 L154 V262 D263M121-V125 WeakPolarHBondContact O-CG2 3.44Å; M121-V125 PolarHBondContact O-N 2.9Å; K122-V125 PolarHBondContact O-N 2.9Å; V125-C128 PolarHBondContact O-N 2.98Å; V125-R129 VanDerWaalsContact CG1-CZ 3.47Å; V125-R129 WeakPolarHBondContact O-CG 3.23Å; V125-R129 PolarHBondContact O-N 2.96Å; V125-L154 HydrophobicContact CG1-CD2 3.89Å; V125-V262 HydrophobicContact CG2-CB 4.49Å; V125-D263 HydrophobicContact CB-CB 4.39Å; V125-D263 HydrophobicContact CG1-CB 4.44Å; V125-D263 HydrophobicContact CG2-CB 4.44Å
126E89.2Confident90.5Very high61 Ų6160.1 Ų60.129%0.28531%0.309SS..Hα-helixtrans-60.1-44.5174.3-72.6171173.800112.2Y2 K122 L124 R129 A130Y2-E126 HydrophobicContact CE1-CG 3.96Å; Y2-E126 PolarHBondContact OH-OE2 2.75Å; K122-E126 WeakPolarHBondContact O-CB 3.48Å; K122-E126 VanDerWaalsContact O-CG 3.27Å; K122-E126 WeakPolarHBondContact O-CG 3.31Å; K122-E126 PolarHBondContact O-N 3.02Å; L124-E126 VanDerWaalsContact C-N 3.33Å; L124-E126 PolarHBondContact O-N 2.84Å; E126-R129 PolarHBondContact O-N 3.24Å; E126-A130 WeakPolarHBondContact O-CB 3.38Å; E126-A130 PolarHBondContact O-N 2.84Å
127A91Very high90.9Very high46 Ų4659.2 Ų59.238%0.3831%0.306SS..Hα-helixtrans-64.6-39.5175.300000112.3K123 L124 A130 N131K123-A127 WeakPolarHBondContact O-CB 3.49Å; K123-A127 PolarHBondContact O-N 2.93Å; L124-A127 PolarHBondContact O-N 2.89Å; A127-A130 PolarHBondContact O-N 3.46Å; A127-N131 PolarHBondContact O-N 3.46Å; A127-N131 VanDerWaalsContact O-N 3.16Å; A127-N131 PolarHBondContact O-ND2 2.91Å
128C92.3Very high91.3Very high5 Ų558 Ų583%0.03429%0.29CS..Hα-helixtrans-63.5-43.3175.7-67.10000111.2L124 V125 A130 N131 D132 V133 L154L124-C128 WeakPolarHBondContact O-CB 3.28Å; L124-C128 PolarHBondContact O-N 2.81Å; L124-C128 PolarHBondContact O-SG 2.86Å; V125-C128 PolarHBondContact O-N 2.98Å; C128-A130 VanDerWaalsContact C-N 3.27Å; C128-A130 PolarHBondContact O-N 2.8Å; C128-N131 PolarHBondContact O-N 2.9Å; C128-D132 PolarHBondContact O-N 3.44Å; C128-V133 HydrophobicContact CB-CB 3.9Å; C128-V133 HydrophobicContact CB-CG1 4.2Å; C128-V133 HydrophobicContact CB-CG2 4.03Å; C128-V133 WeakPolarHBondContact O-CB 3.28Å; C128-V133 WeakPolarHBondContact O-CG2 3.09Å; C128-V133 PolarHBondContact O-N 3.13Å; C128-L154 HydrophobicContact CB-CD1 3.54Å
129R90.2Very high91.6Very high26 Ų2649.5 Ų49.510%0.09825%0.25CS..Hα-helixtrans-65.8-28.8174.7-68.8179.3-174.7133.73.2112.8M1 V125 E126 N131 L154 P155 T261 D263M1-R129 VanDerWaalsContact CE-O 3.29Å; M1-R129 WeakPolarHBondContact CE-O 3.38Å; V125-R129 VanDerWaalsContact CG1-CZ 3.47Å; V125-R129 WeakPolarHBondContact O-CG 3.23Å; V125-R129 PolarHBondContact O-N 2.96Å; E126-R129 PolarHBondContact O-N 3.24Å; R129-N131 VanDerWaalsContact C-N 3.33Å; R129-L154 HydrophobicContact CG-CD2 4.18Å; R129-P155 PolarHBondContact NE-O 3.07Å; R129-T261 PolarHBondContact NH2-OG1 3.01Å; R129-D263 IonicContact CZ-OD2 2.66Å; R129-D263 IonicContact NH1-OD2 3.42Å; R129-D263 PolarHBondContact NH1-OD2 3.42Å; R129-D263 IonicContact NH2-OD1 3.62Å; R129-D263 PolarHBondContact NH2-OD1 2.81Å; R129-D263 VanDerWaalsContact NH2-OD1 3.13Å; R129-D263 IonicContact NH2-OD2 3.25Å; R129-D263 PolarHBondContact NH2-OD2 3.18Å
130A90.4Very high91.9Very high51 Ų5146.5 Ų46.542%0.42124%0.241SC..Hα-helixtrans-72.2-27.6175.700000113.3M1 E126 A127 C128M1-A130 VanDerWaalsContact CE-CA 3.45Å; M1-A130 HydrophobicContact CE-CB 4.13Å; M1-A130 HydrophobicContact SD-CB 4.17Å; E126-A130 WeakPolarHBondContact O-CB 3.38Å; E126-A130 PolarHBondContact O-N 2.84Å; A127-A130 PolarHBondContact O-N 3.46Å; C128-A130 VanDerWaalsContact C-N 3.27Å; C128-A130 PolarHBondContact O-N 2.8Å
131N90.8Very high92.1Very high112 Ų11243.1 Ų43.160%0.59923%0.225SC*.THydrogen-bonded Turntrans-99.312.8-179.4-66.8-27.5000113.4A127 C128 R129 V133A127-N131 PolarHBondContact O-N 3.46Å; A127-N131 VanDerWaalsContact O-N 3.16Å; A127-N131 PolarHBondContact O-ND2 2.91Å; C128-N131 PolarHBondContact O-N 2.9Å; R129-N131 VanDerWaalsContact C-N 3.33Å; N131-V133 HydrophobicContact CB-CG2 4.15Å; N131-V133 PolarHBondContact O-N 3.33Å
132D89Confident92.3Very high124 Ų12445.8 Ų45.866%0.66324%0.241SC*.THydrogen-bonded Turntrans49.544.4-176.9-59.8-43.4000112.9C128C128-D132 PolarHBondContact O-N 3.44Å
133V92.3Very high92.4Very high13 Ų1351.2 Ų51.28%0.07926%0.258CS..  trans-71.5132.2172174.70000108.7K84 V86 C128 N131 D135 L154K84-V133 WeakPolarHBondContact O-CG1 3.45Å; V86-V133 HydrophobicContact CB-CG1 4.02Å; V86-V133 HydrophobicContact CG2-CB 4.38Å; V86-V133 HydrophobicContact CG2-CG1 3.72Å; V86-V133 HydrophobicContact CG2-CG2 3.66Å; C128-V133 HydrophobicContact CB-CB 3.9Å; C128-V133 HydrophobicContact CB-CG1 4.2Å; C128-V133 HydrophobicContact CB-CG2 4.03Å; C128-V133 WeakPolarHBondContact O-CB 3.28Å; C128-V133 WeakPolarHBondContact O-CG2 3.09Å; C128-V133 PolarHBondContact O-N 3.13Å; N131-V133 HydrophobicContact CB-CG2 4.15Å; N131-V133 PolarHBondContact O-N 3.33Å; V133-D135 VanDerWaalsContact CG1-O 3.25Å; V133-D135 WeakPolarHBondContact CG1-O 3.4Å; V133-L154 HydrophobicContact CB-CD1 4.49Å; V133-L154 HydrophobicContact CG1-CD1 4.42Å; V133-L154 WeakPolarHBondContact O-CB 3.44Å
134T91.9Very high92.3Very high30 Ų3046.2 Ų46.218%0.18424%0.239CC..SBendtrans-80.7-41.7179.661.80000111.2P83 K84 H153 L154P83-T134 WeakPolarHBondContact CA-OG1 3.23Å; P83-T134 WeakPolarHBondContact CB-OG1 3.28Å; K84-T134 PolarHBondContact N-OG1 3.47Å; K84-T134 PolarHBondContact O-N 2.83Å; K84-T134 PolarHBondContact O-OG1 3.3Å; K84-T134 VanDerWaalsContact O-OG1 3.11Å; T134-H153 PolarHBondContact O-ND1 2.95Å; T134-L154 PolarHBondContact O-N 3.13Å
135D94Very high92.3Very high1 Ų149.5 Ų49.51%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-138.6140.7-174-55.3-81.3000112.3K84 I85 V86 V133 C152 H153 L206K84-D135 PolarHBondContact O-N 3.49Å; I85-D135 WeakPolarHBondContact CA-O 3.4Å; I85-D135 HydrophobicContact CG1-CB 4.22Å; I85-D135 HydrophobicContact CG2-CB 4.48Å; V86-D135 PolarHBondContact N-O 2.75Å; V133-D135 VanDerWaalsContact CG1-O 3.25Å; V133-D135 WeakPolarHBondContact CG1-O 3.4Å; D135-C152 WeakPolarHBondContact CA-O 3.43Å; D135-H153 IonicContact OD1-CE1 2.71Å; D135-H153 IonicContact OD1-CG 2.9Å; D135-H153 IonicContact OD1-ND1 3.13Å; D135-H153 PolarHBondContact OD1-ND1 3.48Å; D135-H153 IonicContact OD2-ND1 3.54Å; D135-L206 HydrophobicContact CB-CD2 3.56Å; D135-L206 VanDerWaalsContact CG-CD2 3.43Å
136F94.5Very high92.5Very high0 Ų049.7 Ų49.70%026%0.261CS..EExtended strand (participates in β ladder)trans-115.9120.4176179.8-97.7000109.6V86 T88 M121 L124 L138 C152 L154 V262V86-F136 HydrophobicContact CB-CD2 4.29Å; V86-F136 HydrophobicContact CG1-CD2 4Å; V86-F136 HydrophobicContact CG1-CE2 4.17Å; V86-F136 WeakPolarHBondContact O-CA 3.32Å; T88-F136 HydrophobicContact CG2-CE1 4.19Å; T88-F136 HydrophobicContact CG2-CE2 3.76Å; T88-F136 HydrophobicContact CG2-CZ 3.31Å; M121-F136 HydrophobicContact CE-CE1 3.89Å; M121-F136 HydrophobicContact CE-CZ 3.53Å; L124-F136 HydrophobicContact CD1-CE2 4.34Å; L124-F136 HydrophobicContact CD1-CZ 4.32Å; F136-L138 HydrophobicContact CE1-CB 4.09Å; F136-C152 HydrophobicContact CB-CB 4.29Å; F136-C152 PolarHBondContact N-O 3.32Å; F136-C152 PolarHBondContact O-N 3.32Å; F136-L154 HydrophobicContact CB-CD1 4.24Å; F136-V262 HydrophobicContact CD1-CG2 4.33Å
137I95.7Very high92.7Very high0 Ų049.5 Ų49.50%026%0.262CS..EExtended strand (participates in β ladder)trans-110.1124.8-179.9-58.4-179.6000109.2I85 V86 L87 T88 F108 L139 I149 T150I85-I137 HydrophobicContact CG2-CD1 3.57Å; I85-I137 HydrophobicContact CG2-CG1 3.87Å; V86-I137 PolarHBondContact O-N 2.98Å; L87-I137 WeakPolarHBondContact CA-O 3.14Å; L87-I137 HydrophobicContact CD1-CG2 4.24Å; L87-I137 HydrophobicContact CG-CB 4.46Å; L87-I137 HydrophobicContact CG-CG2 4.42Å; T88-I137 PolarHBondContact N-O 3.11Å; F108-I137 HydrophobicContact CD2-CD1 3.9Å; F108-I137 HydrophobicContact CE2-CD1 3.46Å; F108-I137 VanDerWaalsContact CE2-CD1 3.46Å; F108-I137 HydrophobicContact CZ-CD1 3.89Å; I137-L139 HydrophobicContact CG2-CD2 4.29Å; I137-I149 HydrophobicContact CG2-CD1 3.83Å; I137-I149 HydrophobicContact CG2-CG1 3.79Å; I137-T150 CarbonylContact C-O 3.57Å; I137-T150 WeakPolarHBondContact CA-O 3.43Å
138L94.9Very high92.9Very high16 Ų1647.5 Ų47.58%0.08425%0.246CC..EExtended strand (participates in β ladder)trans-112.4122.9174.2175.670000109.7T88 T89 M121 F136 T150T88-L138 HydrophobicContact CG2-CD1 3.65Å; T89-L138 VanDerWaalsContact O-CD1 3.26Å; T89-L138 WeakPolarHBondContact O-CD1 3.41Å; M121-L138 HydrophobicContact SD-CD2 4.3Å; F136-L138 HydrophobicContact CE1-CB 4.09Å; L138-T150 PolarHBondContact N-O 3.19Å; L138-T150 PolarHBondContact O-N 3.36Å
139L95.7Very high93.1Very high0 Ų047.6 Ų47.60%025%0.246CC..EExtended strand (participates in β ladder)trans-98.8135.5174.5-59.7178.2000111.4L87 T88 T89 S90 L97 F100 A101 M104 I137 I149L87-L139 HydrophobicContact CD1-CD1 4.08Å; L87-L139 HydrophobicContact CD1-CG 4.46Å; L87-L139 HydrophobicContact CD2-CD1 3.93Å; L87-L139 HydrophobicContact CG-CD1 4.27Å; L87-L139 HydrophobicContact CG-CG 4.48Å; T88-L139 PolarHBondContact O-N 2.91Å; T89-L139 CarbonylContact C-O 3.52Å; T89-L139 WeakPolarHBondContact CA-O 3.28Å; S90-L139 PolarHBondContact N-O 3.48Å; L97-L139 HydrophobicContact CD1-CB 3.93Å; F100-L139 HydrophobicContact CD1-CD1 3.92Å; F100-L139 HydrophobicContact CE1-CD1 4.19Å; F100-L139 HydrophobicContact CE1-CD2 4.11Å; A101-L139 HydrophobicContact CB-CD1 3.95Å; M104-L139 HydrophobicContact CB-CD1 4.43Å; M104-L139 HydrophobicContact CG-CD1 4.21Å; I137-L139 HydrophobicContact CG2-CD2 4.29Å; L139-I149 HydrophobicContact CD2-CB 4.1Å; L139-I149 HydrophobicContact CD2-CD1 3.81Å; L139-I149 HydrophobicContact CD2-CG1 3.77Å
140Q94.9Very high93.4Very high78 Ų7846.5 Ų46.536%0.36424%0.242SC..EExtended strand (participates in β ladder)trans-117.2159.1174.8-63.3-178.7-14.200110.1P146 D147 G148Q140-P146 WeakPolarHBondContact O-CA 3.38Å; Q140-D147 PolarHBondContact O-N 3.24Å; Q140-G148 PolarHBondContact N-O 2.91Å
141E94.4Very high93.6Very high39 Ų3944.2 Ų44.218%0.18222%0.223CC..EExtended strand (participates in β ladder)trans-142.2158.417570.3-179155.300111.3S94 L97 G144 V145 D147S94-E141 VanDerWaalsContact CB-OE1 3.23Å; S94-E141 WeakPolarHBondContact CB-OE1 3.29Å; S94-E141 VanDerWaalsContact CB-OE2 3.24Å; S94-E141 WeakPolarHBondContact CB-OE2 3.38Å; S94-E141 PolarHBondContact N-OE1 3.22Å; S94-E141 VanDerWaalsContact OG-CD 3.3Å; S94-E141 PolarHBondContact OG-OE1 3.5Å; S94-E141 PolarHBondContact OG-OE2 3.29Å; L97-E141 HydrophobicContact CB-CB 4.28Å; L97-E141 VanDerWaalsContact CB-CD 3.43Å; L97-E141 HydrophobicContact CB-CG 4.26Å; L97-E141 WeakPolarHBondContact CB-OE2 2.94Å; L97-E141 HydrophobicContact CD1-CB 4.26Å; L97-E141 HydrophobicContact CD2-CB 3.93Å; L97-E141 HydrophobicContact CD2-CG 3.72Å; L97-E141 HydrophobicContact CG-CB 4.39Å; L97-E141 HydrophobicContact CG-CG 4.49Å; E141-G144 VanDerWaalsContact OE2-CA 3.23Å; E141-G144 WeakPolarHBondContact OE2-CA 3.46Å; E141-V145 CarbonylContact C-O 3.47Å; E141-V145 VanDerWaalsContact CA-O 3.29Å; E141-V145 WeakPolarHBondContact CA-O 3.32Å; E141-V145 WeakPolarHBondContact CB-O 3.34Å; E141-D147 VanDerWaalsContact C-OD1 3.31Å; E141-D147 WeakPolarHBondContact CA-OD1 3.41Å; E141-D147 PolarHBondContact N-OD1 3.33Å
142N94.6Very high93.8Very high100 Ų10038.9 Ų38.954%0.53519%0.194SC..EExtended strand (participates in β ladder)trans-122.5117165.3-174.79.9000109.2G144 V145 D147N142-G144 VanDerWaalsContact C-N 3.3Å; N142-G144 PolarHBondContact O-N 3.32Å; N142-V145 PolarHBondContact N-O 3.05Å; N142-V145 PolarHBondContact O-N 2.77Å; N142-D147 HydrophobicContact CB-CB 4.33Å; N142-D147 WeakPolarHBondContact CB-OD2 3.4Å
143R91.2Very high94Very high244 Ų24433.9 Ų33.992%0.92117%0.167SC*.THydrogen-bonded Turntrans4944177.6-63.5179.8179.1-167.5-0.5114.3V145R143-V145 VanDerWaalsContact C-N 3.31Å; R143-V145 PolarHBondContact O-N 2.98Å
144G88.4Confident93.9Very high12 Ų1233.5 Ų33.512%0.12417%0.165CC..THydrogen-bonded Turntrans84.7-2177.800000115.1K96 E141 N142K96-G144 WeakPolarHBondContact CB-O 3.39Å; K96-G144 VanDerWaalsContact CD-O 3.28Å; K96-G144 WeakPolarHBondContact CD-O 3.46Å; E141-G144 VanDerWaalsContact OE2-CA 3.23Å; E141-G144 WeakPolarHBondContact OE2-CA 3.46Å; N142-G144 VanDerWaalsContact C-N 3.3Å; N142-G144 PolarHBondContact O-N 3.32Å
145V92.6Very high93.5Very high82 Ų8235.3 Ų35.350%0.49718%0.177SC..EExtended strand (participates in β ladder)trans-104.8122.1173.2-177.50000108.4E141 N142 R143 D147E141-V145 CarbonylContact C-O 3.47Å; E141-V145 VanDerWaalsContact CA-O 3.29Å; E141-V145 WeakPolarHBondContact CA-O 3.32Å; E141-V145 WeakPolarHBondContact CB-O 3.34Å; N142-V145 PolarHBondContact N-O 3.05Å; N142-V145 PolarHBondContact O-N 2.77Å; R143-V145 VanDerWaalsContact C-N 3.31Å; R143-V145 PolarHBondContact O-N 2.98Å; V145-D147 PolarHBondContact O-N 3.39Å
146P94Very high93.1Very high4 Ų436.8 Ų36.83%0.02618%0.183CC..EExtended strand (participates in β ladder)trans-64.7126.5176.427.3-34.1000110.3L97 F100 Q140 L164 V167L97-P146 HydrophobicContact CD1-CB 4.34Å; F100-P146 HydrophobicContact CD1-CB 3.6Å; F100-P146 HydrophobicContact CD1-CG 3.87Å; F100-P146 HydrophobicContact CD2-CG 4.2Å; F100-P146 HydrophobicContact CE1-CB 3.73Å; F100-P146 HydrophobicContact CE1-CG 4.06Å; F100-P146 HydrophobicContact CE2-CG 4.37Å; F100-P146 HydrophobicContact CG-CB 4.18Å; F100-P146 HydrophobicContact CG-CG 3.95Å; F100-P146 HydrophobicContact CZ-CB 4.39Å; F100-P146 HydrophobicContact CZ-CG 4.31Å; Q140-P146 WeakPolarHBondContact O-CA 3.38Å; P146-L164 HydrophobicContact CB-CD1 4.34Å; P146-V167 HydrophobicContact CG-CB 3.99Å; P146-V167 HydrophobicContact CG-CG1 3.65Å; P146-V167 HydrophobicContact CG-CG2 4.1Å; P146-V167 WeakPolarHBondContact O-CG2 3.45Å
147D94.9Very high92.7Very high56 Ų5636.9 Ų36.930%0.29918%0.184SC..EExtended strand (participates in β ladder)trans-124.7-17-170.368.9-21.6000113.4Q140 E141 N142 V145 T163 L164Q140-D147 PolarHBondContact O-N 3.24Å; E141-D147 VanDerWaalsContact C-OD1 3.31Å; E141-D147 WeakPolarHBondContact CA-OD1 3.41Å; E141-D147 PolarHBondContact N-OD1 3.33Å; N142-D147 HydrophobicContact CB-CB 4.33Å; N142-D147 WeakPolarHBondContact CB-OD2 3.4Å; V145-D147 PolarHBondContact O-N 3.39Å; D147-T163 CarbonylContact O-C 3.57Å; D147-T163 VanDerWaalsContact O-CA 3.32Å; D147-T163 WeakPolarHBondContact O-CA 3.5Å; D147-L164 PolarHBondContact O-N 2.83Å
148G95Very high92.5Very high5 Ų536.9 Ų36.95%0.05218%0.184CC..EExtended strand (participates in β ladder)trans-143136.4-175.600000112.3Q140 F162Q140-G148 PolarHBondContact N-O 2.91Å; G148-F162 WeakPolarHBondContact CA-O 3.34Å
149I95.7Very high92.5Very high6 Ų636.1 Ų36.13%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-127.2128.9167.8-173.8167.7000109.1M104 I137 L139 I151 F162 L164M104-I149 HydrophobicContact CE-CD1 4.21Å; I137-I149 HydrophobicContact CG2-CD1 3.83Å; I137-I149 HydrophobicContact CG2-CG1 3.79Å; L139-I149 HydrophobicContact CD2-CB 4.1Å; L139-I149 HydrophobicContact CD2-CD1 3.81Å; L139-I149 HydrophobicContact CD2-CG1 3.77Å; I149-I151 HydrophobicContact CD1-CG1 4.48Å; I149-I151 HydrophobicContact CG1-CG1 4.16Å; I149-F162 HydrophobicContact CG2-CB 3.66Å; I149-F162 HydrophobicContact CG2-CD2 4.09Å; I149-F162 HydrophobicContact CG2-CG 4.23Å; I149-F162 PolarHBondContact N-O 3.23Å; I149-F162 PolarHBondContact O-N 3.45Å; I149-L164 HydrophobicContact CB-CD1 4.29Å; I149-L164 HydrophobicContact CB-CD2 4.49Å; I149-L164 HydrophobicContact CB-CG 4.47Å; I149-L164 HydrophobicContact CG2-CD1 4.39Å; I149-L164 HydrophobicContact CG2-CD2 3.72Å; I149-L164 HydrophobicContact CG2-CG 4.11Å
150T95.8Very high92.5Very high3 Ų336.2 Ų36.22%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-115.1123.9175.8-56.20000108.2I137 L138 T159 A160 F161 V262I137-T150 CarbonylContact C-O 3.57Å; I137-T150 WeakPolarHBondContact CA-O 3.43Å; L138-T150 PolarHBondContact N-O 3.19Å; L138-T150 PolarHBondContact O-N 3.36Å; T150-T159 HydrophobicContact CG2-CG2 3.35Å; T150-A160 WeakPolarHBondContact CA-O 3.47Å; T150-F161 HydrophobicContact CG2-CD1 3.61Å; T150-F161 HydrophobicContact CG2-CE1 3.46Å; T150-F161 VanDerWaalsContact CG2-CE1 3.46Å; T150-F161 HydrophobicContact CG2-CG 4.32Å; T150-F161 HydrophobicContact CG2-CZ 4.07Å; T150-F161 VanDerWaalsContact OG1-CD1 3.27Å; T150-F161 WeakPolarHBondContact OG1-CD1 3.38Å; T150-V262 HydrophobicContact CG2-CG2 4.36Å
151I95.6Very high92.6Very high3 Ų333.7 Ų33.72%0.01517%0.169CC..EExtended strand (participates in β ladder)trans-113.7117.6-179-54.9178.8000107.1I149 T159 A160 F162 I202 L203 L206I149-I151 HydrophobicContact CD1-CG1 4.48Å; I149-I151 HydrophobicContact CG1-CG1 4.16Å; I151-T159 CarbonylContact O-C 3.55Å; I151-T159 VanDerWaalsContact O-CA 3.29Å; I151-T159 WeakPolarHBondContact O-CA 3.34Å; I151-A160 PolarHBondContact N-O 3.23Å; I151-A160 PolarHBondContact O-N 3.13Å; I151-F162 HydrophobicContact CB-CE2 4.47Å; I151-F162 HydrophobicContact CD1-CD2 4.22Å; I151-F162 HydrophobicContact CD1-CE2 3.74Å; I151-F162 HydrophobicContact CG1-CD2 4.42Å; I151-F162 HydrophobicContact CG1-CE2 4.13Å; I151-I202 HydrophobicContact CG2-CG2 4.1Å; I151-L203 HydrophobicContact CD1-CD2 3.75Å; I151-L206 HydrophobicContact CD1-CD1 3.86Å; I151-L206 HydrophobicContact CG2-CD1 3.99Å; I151-L206 HydrophobicContact CG2-CD2 3.97Å; I151-L206 HydrophobicContact CG2-CG 4.48Å
152C94.4Very high92.7Very high0 Ų031.9 Ų31.90%016%0.16CC..EExtended strand (participates in β ladder)trans-119.3118-177.9172.80000109.7D135 F136 T159 V262D135-C152 WeakPolarHBondContact CA-O 3.43Å; F136-C152 HydrophobicContact CB-CB 4.29Å; F136-C152 PolarHBondContact N-O 3.32Å; F136-C152 PolarHBondContact O-N 3.32Å; C152-T159 HydrophobicContact CB-CG2 4.21Å; C152-T159 PolarHBondContact SG-OG1 3.3Å; C152-V262 HydrophobicContact CB-CG2 3.65Å
153H92.9Very high92.8Very high20 Ų2030 Ų309%0.09315%0.152CC..EExtended strand (participates in β ladder)trans-83.9131.1174.4-170.365.2000110.6E74 Y75 T134 D135 G157 P158E74-H153 PolarHBondContact O-NE2 3.02Å; Y75-H153 AromaticContact CD1-CE1 3.79Å; Y75-H153 AromaticContact CD1-NE2 3.8Å; Y75-H153 HydrophobicContact CE1-CB 4.3Å; Y75-H153 AromaticContact CE1-CD2 3.75Å; Y75-H153 AromaticContact CE1-CE1 3.59Å; Y75-H153 AromaticContact CE1-CG 3.6Å; Y75-H153 AromaticContact CE1-ND1 3.48Å; Y75-H153 WeakPolarHBondContact CE1-ND1 3.09Å; Y75-H153 AromaticContact CE1-NE2 3.76Å; Y75-H153 AromaticContact CZ-CG 3.95Å; T134-H153 PolarHBondContact O-ND1 2.95Å; D135-H153 IonicContact OD1-CE1 2.71Å; D135-H153 IonicContact OD1-CG 2.9Å; D135-H153 IonicContact OD1-ND1 3.13Å; D135-H153 PolarHBondContact OD1-ND1 3.48Å; D135-H153 IonicContact OD2-ND1 3.54Å; H153-G157 CarbonylContact O-C 3.58Å; H153-G157 VanDerWaalsContact O-CA 3.28Å; H153-G157 WeakPolarHBondContact O-CA 3.47Å; H153-G157 PolarHBondContact O-N 3.3Å; H153-P158 PolarHBondContact N-O 3.22Å
154L90.2Very high93Very high5 Ų519.1 Ų19.13%0.02611%0.112CC..THydrogen-bonded Turntrans-108.5150-179.5-69.5175.8000109.6V125 C128 R129 V133 T134 F136 T261V125-L154 HydrophobicContact CG1-CD2 3.89Å; C128-L154 HydrophobicContact CB-CD1 3.54Å; R129-L154 HydrophobicContact CG-CD2 4.18Å; V133-L154 HydrophobicContact CB-CD1 4.49Å; V133-L154 HydrophobicContact CG1-CD1 4.42Å; V133-L154 WeakPolarHBondContact O-CB 3.44Å; T134-L154 PolarHBondContact O-N 3.13Å; F136-L154 HydrophobicContact CB-CD1 4.24Å; L154-T261 HydrophobicContact CD2-CG2 3.63Å
155P85.1Confident93.3Very high67 Ų6720.3 Ų20.344%0.43512%0.119SC..THydrogen-bonded Turncis-86.2-24.71130.2-34.6000116.1R129 T261R129-P155 PolarHBondContact NE-O 3.07Å; P155-T261 WeakPolarHBondContact O-CG2 3.29Å
156F84.4Confident93.3Very high33 Ų3321.6 Ų21.615%0.14512%0.123CC..THydrogen-bonded Turntrans-13617.6-175.3-49.8-63.5000113.6Q5 L8 R9 Y12Q5-F156 HydrophobicContact CB-CZ 4.15Å; Q5-F156 WeakPolarHBondContact O-CZ 3.45Å; L8-F156 HydrophobicContact CB-CE2 3.57Å; L8-F156 HydrophobicContact CB-CZ 3.93Å; R9-F156 HydrophobicContact CB-CD1 3.83Å; R9-F156 HydrophobicContact CB-CE1 3.66Å; R9-F156 HydrophobicContact CB-CG 4.41Å; R9-F156 HydrophobicContact CB-CZ 4.1Å; R9-F156 HydrophobicContact CG-CD1 3.99Å; R9-F156 HydrophobicContact CG-CE1 4.28Å; Y12-F156 HydrophobicContact CD1-CB 4.44Å
157G86Confident93.2Very high2 Ų222.7 Ų22.72%0.02113%0.129CC..  trans-75.1-177.4-174.800000113.9H153 G260H153-G157 CarbonylContact O-C 3.58Å; H153-G157 VanDerWaalsContact O-CA 3.28Å; H153-G157 WeakPolarHBondContact O-CA 3.47Å; H153-G157 PolarHBondContact O-N 3.3Å; G157-G260 CarbonylContact O-C 3.57Å
158P91.8Very high93.1Very high0 Ų022.8 Ų22.80%013%0.132CC..  trans-70.1152.1179.729.1-36.1000112.3Y75 H153 I202 I257 K258 L259Y75-P158 HydrophobicContact CE2-CG 4.44Å; H153-P158 PolarHBondContact N-O 3.22Å; P158-I202 HydrophobicContact CB-CD1 4.38Å; P158-I202 HydrophobicContact CG-CD1 4.06Å; P158-I202 HydrophobicContact CG-CG1 4.13Å; P158-I257 HydrophobicContact CB-CG2 4.26Å; P158-K258 CarbonylContact C-O 3.49Å; P158-K258 VanDerWaalsContact CA-O 3.23Å; P158-K258 WeakPolarHBondContact CA-O 3.32Å; P158-L259 HydrophobicContact CB-CD2 4.36Å
159T94.7Very high92.8Very high0 Ų023 Ų230%013%0.132CC..EExtended strand (participates in β ladder)trans-107.6116.6162.3-58.80000109T150 I151 C152 F161 I257 K258 G260 V262 L265T150-T159 HydrophobicContact CG2-CG2 3.35Å; I151-T159 CarbonylContact O-C 3.55Å; I151-T159 VanDerWaalsContact O-CA 3.29Å; I151-T159 WeakPolarHBondContact O-CA 3.34Å; C152-T159 HydrophobicContact CB-CG2 4.21Å; C152-T159 PolarHBondContact SG-OG1 3.3Å; T159-F161 HydrophobicContact CG2-CD2 4.19Å; T159-F161 HydrophobicContact CG2-CE1 4.23Å; T159-F161 HydrophobicContact CG2-CE2 3.61Å; T159-F161 HydrophobicContact CG2-CZ 3.63Å; T159-I257 WeakPolarHBondContact O-CA 3.49Å; T159-K258 PolarHBondContact N-O 3.33Å; T159-K258 PolarHBondContact O-N 3.08Å; T159-G260 WeakPolarHBondContact CB-O 3.5Å; T159-G260 PolarHBondContact N-O 3.16Å; T159-G260 PolarHBondContact OG1-O 3.02Å; T159-V262 HydrophobicContact CG2-CG2 4.18Å; T159-L265 HydrophobicContact CG2-CD2 4.31Å
160A95.5Very high92.4Very high1 Ų124.6 Ų24.61%0.00814%0.137CC..EExtended strand (participates in β ladder)trans-101.4133.6172.600000110.2T150 I151 F162 I202 I257T150-A160 WeakPolarHBondContact CA-O 3.47Å; I151-A160 PolarHBondContact N-O 3.23Å; I151-A160 PolarHBondContact O-N 3.13Å; A160-F162 HydrophobicContact CB-CD2 4.42Å; A160-F162 HydrophobicContact CB-CE2 3.49Å; A160-F162 VanDerWaalsContact CB-CE2 3.49Å; A160-F162 HydrophobicContact CB-CZ 3.75Å; A160-I202 HydrophobicContact CB-CD1 4Å; A160-I202 HydrophobicContact CB-CG2 4.25Å; A160-I257 HydrophobicContact CB-CG1 4.43Å
161F96.6Very high91.8Very high26 Ų2629 Ų2911%0.11416%0.158CC..EExtended strand (participates in β ladder)trans-112.3130.9177.7-59.5-96.2000110.5T150 T159 P254 Y255 C256 K258 L265T150-F161 HydrophobicContact CG2-CD1 3.61Å; T150-F161 HydrophobicContact CG2-CE1 3.46Å; T150-F161 VanDerWaalsContact CG2-CE1 3.46Å; T150-F161 HydrophobicContact CG2-CG 4.32Å; T150-F161 HydrophobicContact CG2-CZ 4.07Å; T150-F161 VanDerWaalsContact OG1-CD1 3.27Å; T150-F161 WeakPolarHBondContact OG1-CD1 3.38Å; T159-F161 HydrophobicContact CG2-CD2 4.19Å; T159-F161 HydrophobicContact CG2-CE1 4.23Å; T159-F161 HydrophobicContact CG2-CE2 3.61Å; T159-F161 HydrophobicContact CG2-CZ 3.63Å; F161-P254 WeakPolarHBondContact O-CA 3.26Å; F161-Y255 HydrophobicContact CB-CD1 4.01Å; F161-Y255 HydrophobicContact CB-CD2 4.27Å; F161-Y255 HydrophobicContact CB-CE1 3.39Å; F161-Y255 HydrophobicContact CB-CE2 3.66Å; F161-Y255 HydrophobicContact CB-CG 4.43Å; F161-Y255 WeakPolarHBondContact CB-OH 3.22Å; F161-Y255 WeakPolarHBondContact CD1-OH 3.41Å; F161-Y255 HydrophobicContact CG-CE2 4.21Å; F161-Y255 AromaticContact CG-CZ 3.92Å; F161-Y255 WeakPolarHBondContact O-CD1 3.28Å; F161-Y255 PolarHBondContact O-N 2.86Å; F161-C256 HydrophobicContact CB-CB 4.33Å; F161-C256 HydrophobicContact CD2-CB 3.9Å; F161-C256 HydrophobicContact CG-CB 4.47Å; F161-C256 PolarHBondContact N-O 3.4Å; F161-K258 HydrophobicContact CE2-CG 4.48Å; F161-L265 HydrophobicContact CE2-CD2 4.1Å; F161-L265 HydrophobicContact CZ-CD1 3.88Å; F161-L265 HydrophobicContact CZ-CD2 3.73Å; F161-L265 HydrophobicContact CZ-CG 4.47Å
162F96.9Very high91.3Very high0 Ų033.7 Ų33.70%018%0.182CC..EExtended strand (participates in β ladder)trans-127.7137.7179.3-50.7-97.7000110.4G148 I149 I151 A160 I199 L203 I227 M252 K253 P254G148-F162 WeakPolarHBondContact CA-O 3.34Å; I149-F162 HydrophobicContact CG2-CB 3.66Å; I149-F162 HydrophobicContact CG2-CD2 4.09Å; I149-F162 HydrophobicContact CG2-CG 4.23Å; I149-F162 PolarHBondContact N-O 3.23Å; I149-F162 PolarHBondContact O-N 3.45Å; I151-F162 HydrophobicContact CB-CE2 4.47Å; I151-F162 HydrophobicContact CD1-CD2 4.22Å; I151-F162 HydrophobicContact CD1-CE2 3.74Å; I151-F162 HydrophobicContact CG1-CD2 4.42Å; I151-F162 HydrophobicContact CG1-CE2 4.13Å; A160-F162 HydrophobicContact CB-CD2 4.42Å; A160-F162 HydrophobicContact CB-CE2 3.49Å; A160-F162 VanDerWaalsContact CB-CE2 3.49Å; A160-F162 HydrophobicContact CB-CZ 3.75Å; F162-I199 HydrophobicContact CE1-CG2 3.95Å; F162-I199 HydrophobicContact CZ-CG2 4.18Å; F162-L203 HydrophobicContact CZ-CD2 4.36Å; F162-I227 HydrophobicContact CE1-CD1 4.32Å; F162-M252 HydrophobicContact CB-CB 4.19Å; F162-M252 HydrophobicContact CD1-CG 4.17Å; F162-M252 HydrophobicContact CD1-SD 4.14Å; F162-M252 HydrophobicContact CE1-SD 4.47Å; F162-M252 HydrophobicContact CG-SD 4.42Å; F162-K253 CarbonylContact C-O 3.57Å; F162-K253 VanDerWaalsContact CA-O 3.32Å; F162-K253 WeakPolarHBondContact CA-O 3.38Å; F162-P254 HydrophobicContact CD1-CB 3.73Å; F162-P254 HydrophobicContact CE1-CB 3.76Å
163T96.4Very high90.7Very high61 Ų6136.6 Ų36.637%0.37420%0.2SC..EExtended strand (participates in β ladder)trans-89134.1165.453.40000109D147 M252 K253 Y255D147-T163 CarbonylContact O-C 3.57Å; D147-T163 VanDerWaalsContact O-CA 3.32Å; D147-T163 WeakPolarHBondContact O-CA 3.5Å; T163-M252 CarbonylContact O-C 3.41Å; T163-M252 VanDerWaalsContact O-CA 3.31Å; T163-M252 WeakPolarHBondContact O-CA 3.26Å; T163-K253 PolarHBondContact N-O 2.88Å; T163-K253 PolarHBondContact O-N 3.29Å; T163-K253 PolarHBondContact OG1-O 3.07Å; T163-Y255 HydrophobicContact CG2-CD1 3.68Å; T163-Y255 HydrophobicContact CG2-CE1 3.86Å
164L95.6Very high90Very high16 Ų1640.7 Ų40.78%0.08423%0.228CC..EExtended strand (participates in β ladder)trans-95.3135.1176.7-59.3179.1000110.2F100 P146 D147 I149 V167 F250 E251 M252F100-L164 HydrophobicContact CE1-CD1 4.15Å; F100-L164 HydrophobicContact CZ-CD1 4.25Å; P146-L164 HydrophobicContact CB-CD1 4.34Å; D147-L164 PolarHBondContact O-N 2.83Å; I149-L164 HydrophobicContact CB-CD1 4.29Å; I149-L164 HydrophobicContact CB-CD2 4.49Å; I149-L164 HydrophobicContact CB-CG 4.47Å; I149-L164 HydrophobicContact CG2-CD1 4.39Å; I149-L164 HydrophobicContact CG2-CD2 3.72Å; I149-L164 HydrophobicContact CG2-CG 4.11Å; L164-V167 HydrophobicContact CB-CG2 3.8Å; L164-F250 HydrophobicContact CD2-CD2 3.55Å; L164-F250 HydrophobicContact CD2-CE2 3.78Å; L164-F250 HydrophobicContact CD2-CG 4.33Å; L164-E251 CarbonylContact C-O 3.57Å; L164-E251 WeakPolarHBondContact CA-O 3.42Å; L164-M252 HydrophobicContact CD2-CB 3.74Å
165S94.2Very high89.1Confident36 Ų3648.4 Ų48.425%0.25227%0.27SS..EExtended strand (participates in β ladder)trans-129.9159.8171.951.50000110.1V167 E251S165-V167 PolarHBondContact O-N 3.16Å; S165-V167 VanDerWaalsContact O-N 3.15Å; S165-E251 PolarHBondContact N-O 3.21Å; S165-E251 PolarHBondContact O-N 3.36Å; S165-E251 WeakPolarHBondContact OG-CB 3.26Å; S165-E251 PolarHBondContact OG-O 2.76Å
166N92.9Very high88.6Confident110 Ų11047.9 Ų47.959%0.58826%0.262SS*.EExtended strand (participates in β ladder)trans53.139175.2-61.6-28.9000113.7V168 E251N166-V168 PolarHBondContact O-N 2.69Å; N166-E251 PolarHBondContact ND2-OE2 2.65Å
167V92.9Very high88.3Confident27 Ų2748.5 Ų48.516%0.16428%0.279CS..EExtended strand (participates in β ladder)trans-74.8113.5-177.8-168.80000110.4F100 P146 L164 S165 R249 F250F100-V167 HydrophobicContact CD2-CG1 4.28Å; F100-V167 HydrophobicContact CE2-CG1 3.73Å; F100-V167 HydrophobicContact CZ-CG1 4.21Å; P146-V167 HydrophobicContact CG-CB 3.99Å; P146-V167 HydrophobicContact CG-CG1 3.65Å; P146-V167 HydrophobicContact CG-CG2 4.1Å; P146-V167 WeakPolarHBondContact O-CG2 3.45Å; L164-V167 HydrophobicContact CB-CG2 3.8Å; S165-V167 PolarHBondContact O-N 3.16Å; S165-V167 VanDerWaalsContact O-N 3.15Å; V167-R249 CarbonylContact C-O 3.59Å; V167-R249 VanDerWaalsContact CA-O 3.29Å; V167-R249 WeakPolarHBondContact CA-O 3.42Å; V167-F250 HydrophobicContact CB-CB 4.31Å; V167-F250 HydrophobicContact CG1-CB 4.33Å; V167-F250 HydrophobicContact CG2-CB 3.83Å
168V91.4Very high88.1Confident57 Ų5755 Ų5535%0.34532%0.318SS..EExtended strand (participates in β ladder)trans-104.7114.6168.4-177.40000107.4N166 V173 P248 R249N166-V168 PolarHBondContact O-N 2.69Å; V168-V173 HydrophobicContact CG1-CG2 4.03Å; V168-P248 VanDerWaalsContact O-CA 3.23Å; V168-P248 WeakPolarHBondContact O-CA 3.43Å; V168-P248 WeakPolarHBondContact O-CB 3.38Å; V168-R249 HydrophobicContact CB-CB 4.17Å; V168-R249 HydrophobicContact CG2-CB 4.48Å; V168-R249 PolarHBondContact N-O 3.25Å; V168-R249 PolarHBondContact O-N 3.34Å; V168-R249 VanDerWaalsContact O-N 3.1Å
169M89.4Confident87.5Confident10 Ų1056 Ų565%0.04932%0.323CS..  trans-73.7147.3179.1-64.2-177.2-67.100110.1K96 F100 H171 D172K96-M169 HydrophobicContact CB-CE 4.4Å; K96-M169 HydrophobicContact CB-SD 4.37Å; K96-M169 HydrophobicContact CD-CE 4.14Å; K96-M169 HydrophobicContact CG-CE 4.31Å; F100-M169 HydrophobicContact CB-SD 4.38Å; F100-M169 HydrophobicContact CD2-CG 4.26Å; M169-H171 PolarHBondContact O-N 2.8Å; M169-D172 VanDerWaalsContact CE-OD2 3.26Å; M169-D172 WeakPolarHBondContact CE-OD2 3.47Å; M169-D172 PolarHBondContact O-N 2.86Å; M169-D172 VanDerWaalsContact O-N 3.15Å
170R86.6Confident87Confident40 Ų4057.9 Ų57.915%0.15134%0.336CS..G310 helixtrans-61-34.1174.4-173.4178.8172-129.9-6.4111.5E103 D172 V173 I176 G177 M246E103-R170 HydrophobicContact CG-CB 3.92Å; E103-R170 WeakPolarHBondContact OE1-CA 3.44Å; E103-R170 WeakPolarHBondContact OE1-CB 3.47Å; E103-R170 PolarHBondContact OE1-N 2.89Å; E103-R170 PolarHBondContact OE2-N 3.37Å; R170-D172 PolarHBondContact O-N 2.89Å; R170-V173 PolarHBondContact O-N 2.96Å; R170-I176 HydrophobicContact CB-CD1 4.48Å; R170-I176 HydrophobicContact CG-CD1 3.57Å; R170-I176 HydrophobicContact CG-CG2 4.14Å; R170-I176 WeakPolarHBondContact O-CD1 3.14Å; R170-G177 PolarHBondContact NH2-O 2.85Å; R170-M246 VanDerWaalsContact CD-O 3.31Å; R170-M246 WeakPolarHBondContact CD-O 2.93Å; R170-M246 PolarHBondContact NE-O 2.99Å
171H85.1Confident86.4Confident96 Ų9664.5 Ų64.544%0.44437%0.367SS..G310 helixtrans-67.2-18.1178.5-66.282.4000113.8E103 M169E103-H171 IonicContact OE1-CE1 2.75Å; E103-H171 IonicContact OE1-CG 3.77Å; E103-H171 PolarHBondContact OE1-N 2.83Å; E103-H171 IonicContact OE1-ND1 3.9Å; E103-H171 PolarHBondContact OE1-ND1 3.38Å; M169-H171 PolarHBondContact O-N 2.8Å
172D84.8Confident86.1Confident100 Ų10067.4 Ų67.454%0.53538%0.381SS..G310 helixtrans-85.5-16.8-178.5-65.1-25000112.8M169 R170M169-D172 VanDerWaalsContact CE-OD2 3.26Å; M169-D172 WeakPolarHBondContact CE-OD2 3.47Å; M169-D172 PolarHBondContact O-N 2.86Å; M169-D172 VanDerWaalsContact O-N 3.15Å; R170-D172 PolarHBondContact O-N 2.89Å
173V81.7Confident85.9Confident62 Ų6271.3 Ų71.338%0.37640%0.396SS..SBendtrans-90.5124.8-178.81740000109.7V168 R170 I176V168-V173 HydrophobicContact CG1-CG2 4.03Å; R170-V173 PolarHBondContact O-N 2.96Å; V173-I176 HydrophobicContact CB-CD1 3.46Å; V173-I176 VanDerWaalsContact CB-CD1 3.46Å; V173-I176 HydrophobicContact CB-CG1 4.14Å; V173-I176 HydrophobicContact CG1-CD1 3.77Å; V173-I176 HydrophobicContact CG1-CG1 3.91Å; V173-I176 WeakPolarHBondContact O-CD1 3.38Å
174P77.2Confident85.7Confident105 Ų10568.4 Ų68.468%0.68238%0.378SS*.THydrogen-bonded Turntrans-70.4153.7179.528.4-33.8000111.6
175N72.3Confident85.7Confident168 Ų16869.9 Ų69.990%0.89839%0.385SS*.THydrogen-bonded Turntrans65.133.6173.6-57.9-30.4000116.7
176I74.5Confident85.7Confident55 Ų5570.4 Ų70.428%0.28238%0.384SS..  trans-86.9118.1176.2-59.9167.2000110.8R170 V173 M246R170-I176 HydrophobicContact CB-CD1 4.48Å; R170-I176 HydrophobicContact CG-CD1 3.57Å; R170-I176 HydrophobicContact CG-CG2 4.14Å; R170-I176 WeakPolarHBondContact O-CD1 3.14Å; V173-I176 HydrophobicContact CB-CD1 3.46Å; V173-I176 VanDerWaalsContact CB-CD1 3.46Å; V173-I176 HydrophobicContact CB-CG1 4.14Å; V173-I176 HydrophobicContact CG1-CD1 3.77Å; V173-I176 HydrophobicContact CG1-CG1 3.91Å; V173-I176 WeakPolarHBondContact O-CD1 3.38Å; I176-M246 HydrophobicContact CG2-CE 4.45Å
177G77.9Confident85.8Confident47 Ų4768.7 Ų68.749%0.48538%0.375SS..  trans-67.2-177.6172.100000113.2R170R170-G177 PolarHBondContact NH2-O 2.85Å
178T81.7Confident85.9Confident137 Ų13769.9 Ų69.984%0.8438%0.378SS*.PPolyproline II helixtrans-62.2142174.148.60000111M246T178-M246 WeakPolarHBondContact O-CE 3.49Å
179M80.1Confident86Confident21 Ų2172.2 Ų72.210%0.10339%0.388CS..PPolyproline II helixtrans-86135.2178-174.5-178.4-69.600108.7I106 M246I106-M179 HydrophobicContact CB-SD 4.19Å; I106-M179 HydrophobicContact CG2-CB 3.93Å; I106-M179 HydrophobicContact CG2-CG 4.04Å; I106-M179 HydrophobicContact CG2-SD 3.5Å; I106-M179 WeakPolarHBondContact CG2-SD 3.34Å; M179-M246 WeakPolarHBondContact CE-O 3.47Å
180S82.5Confident86Confident41 Ų4172.8 Ų72.829%0.28740%0.397SS..PPolyproline II helixtrans-70.5127.8170.6-177.50000110Q182S180-Q182 PolarHBondContact O-N 2.72Å; S180-Q182 WeakPolarHBondContact OG-CB 3.29Å; S180-Q182 VanDerWaalsContact OG-CG 3.23Å; S180-Q182 WeakPolarHBondContact OG-CG 3.36Å; S180-Q182 PolarHBondContact OG-N 2.83Å; S180-Q182 PolarHBondContact OG-OE1 2.83Å; S180-Q182 VanDerWaalsContact OG-OE1 3.13Å
181E83.6Confident86.1Confident139 Ų13971.7 Ų71.765%0.6539%0.393SS*.  trans-86.310.2173.5-63.3-173.4171.600112.5I106I106-E181 HydrophobicContact CG2-CG 4.39Å
182Q89.7Confident86.3Confident87 Ų8770.9 Ų70.941%0.40740%0.395SS..SBendtrans-56.7150.9172.1-72.8173.7-34.600111.3S180 P184 R216S180-Q182 PolarHBondContact O-N 2.72Å; S180-Q182 WeakPolarHBondContact OG-CB 3.29Å; S180-Q182 VanDerWaalsContact OG-CG 3.23Å; S180-Q182 WeakPolarHBondContact OG-CG 3.36Å; S180-Q182 PolarHBondContact OG-N 2.83Å; S180-Q182 PolarHBondContact OG-OE1 2.83Å; S180-Q182 VanDerWaalsContact OG-OE1 3.13Å; Q182-P184 WeakPolarHBondContact O-CD 3.36Å; Q182-R216 WeakPolarHBondContact O-CD 3.42Å; Q182-R216 PolarHBondContact O-NH1 2.88Å; Q182-R216 VanDerWaalsContact O-NH1 3.13Å
183Y92.8Very high86.5Confident82 Ų8266.9 Ų66.932%0.32238%0.375SS..PPolyproline II helixtrans-67.8120.3177.8-64.4-7.8000109.6D82 P109 P208 V209 S214D82-Y183 PolarHBondContact OD2-OH 2.9Å; P109-Y183 HydrophobicContact CB-CD1 3.6Å; P109-Y183 HydrophobicContact CB-CE1 3.72Å; P109-Y183 HydrophobicContact CG-CD1 3.94Å; P109-Y183 HydrophobicContact CG-CE1 4.36Å; Y183-P208 HydrophobicContact CD1-CB 4.49Å; Y183-P208 HydrophobicContact CD1-CG 3.51Å; Y183-P208 HydrophobicContact CD2-CB 3.81Å; Y183-P208 HydrophobicContact CD2-CG 3.62Å; Y183-P208 HydrophobicContact CE1-CB 4.37Å; Y183-P208 HydrophobicContact CE1-CG 3.61Å; Y183-P208 HydrophobicContact CE2-CB 3.63Å; Y183-P208 HydrophobicContact CE2-CG 3.7Å; Y183-P208 HydrophobicContact CG-CB 4.22Å; Y183-P208 HydrophobicContact CG-CG 3.5Å; Y183-V209 WeakPolarHBondContact CD2-O 3.42Å; Y183-S214 VanDerWaalsContact O-CB 3.3Å; Y183-S214 WeakPolarHBondContact O-CB 3.49Å; Y183-S214 PolarHBondContact O-OG 3.1Å
184P93.4Very high86.8Confident0 Ų071.9 Ų71.90%039%0.392CS..PPolyproline II helixtrans-77.7145.5-173.229.5-33000112.5Q182 L186 F207 R216 V218Q182-P184 WeakPolarHBondContact O-CD 3.36Å; P184-L186 HydrophobicContact CG-CD2 4.27Å; P184-F207 HydrophobicContact CG-CD1 3.6Å; P184-F207 HydrophobicContact CG-CE1 4.04Å; P184-F207 HydrophobicContact CG-CG 4.45Å; P184-R216 CarbonylContact C-O 3.59Å; P184-R216 WeakPolarHBondContact CA-O 3.47Å; P184-R216 HydrophobicContact CB-CB 4.33Å; P184-R216 HydrophobicContact CB-CG 3.92Å; P184-V218 HydrophobicContact CB-CB 4.31Å; P184-V218 HydrophobicContact CB-CG2 3.51Å; P184-V218 HydrophobicContact CG-CG2 3.94Å
185H94.3Very high87.4Confident47 Ų4768.1 Ų68.122%0.21837%0.366CS..EExtended strand (participates in β ladder)trans-70.6138.2158.8-69.6-68.4000110K211 S214 R216 L217 V218H185-K211 PolarHBondContact CE1-O 3.47Å; H185-K211 VanDerWaalsContact CE1-O 3.22Å; H185-K211 PolarHBondContact NE2-O 2.82Å; H185-S214 PolarHBondContact CD2-O 3.2Å; H185-S214 PolarHBondContact NE2-O 2.9Å; H185-R216 PolarHBondContact N-O 2.94Å; H185-L217 HydrophobicContact CB-CD2 3.57Å; H185-L217 CarbonylContact O-C 3.58Å; H185-L217 WeakPolarHBondContact O-CA 3.4Å; H185-V218 PolarHBondContact O-N 2.84Å
186L94.5Very high88.3Confident47 Ų4760.1 Ų60.125%0.24632%0.323CS..EExtended strand (participates in β ladder)trans-106.1133-178.7-53.9-178.3000110.4P184 F188 K204 F207 V218P184-L186 HydrophobicContact CG-CD2 4.27Å; L186-F188 HydrophobicContact CB-CD2 4.29Å; L186-F188 HydrophobicContact CB-CE2 3.72Å; L186-F188 HydrophobicContact CB-CZ 4.41Å; L186-F188 HydrophobicContact CD1-CE2 3.85Å; L186-F188 HydrophobicContact CD1-CZ 4.11Å; L186-F188 HydrophobicContact CG-CE2 4.45Å; L186-K204 HydrophobicContact CD1-CG 4.24Å; L186-F207 HydrophobicContact CD1-CB 3.98Å; L186-F207 HydrophobicContact CD1-CD2 3.57Å; L186-F207 HydrophobicContact CD1-CE2 4.39Å; L186-F207 HydrophobicContact CD1-CG 3.98Å; L186-F207 HydrophobicContact CD2-CB 4.33Å; L186-F207 HydrophobicContact CD2-CD1 4.11Å; L186-F207 HydrophobicContact CD2-CD2 3.67Å; L186-F207 HydrophobicContact CD2-CE1 4.39Å; L186-F207 HydrophobicContact CD2-CE2 3.98Å; L186-F207 HydrophobicContact CD2-CG 3.75Å; L186-F207 HydrophobicContact CD2-CZ 4.34Å; L186-F207 HydrophobicContact CG-CB 4.49Å; L186-F207 HydrophobicContact CG-CD2 4.24Å; L186-F207 HydrophobicContact CG-CG 4.37Å; L186-V218 CarbonylContact C-O 3.55Å; L186-V218 WeakPolarHBondContact CA-O 3.25Å; L186-V218 HydrophobicContact CD2-CB 3.9Å; L186-V218 HydrophobicContact CD2-CG1 4.25Å
187I95.2Very high89Confident75 Ų7563.2 Ų63.239%0.38533%0.334SS..EExtended strand (participates in β ladder)trans-116120.7172.5-59.6173000107.3L217 V218 T219 F220I187-L217 HydrophobicContact CD1-CD2 4.14Å; I187-V218 PolarHBondContact N-O 3.36Å; I187-T219 HydrophobicContact CB-CG2 4.18Å; I187-T219 HydrophobicContact CG2-CG2 4.13Å; I187-F220 PolarHBondContact O-N 3.11Å
188F94.8Very high89.5Confident51 Ų5161.1 Ų61.122%0.22431%0.312CS..EExtended strand (participates in β ladder)trans-112.8117.8173-67.6-80.4000108.7L186 F191 M200 L203 K204 F220L186-F188 HydrophobicContact CB-CD2 4.29Å; L186-F188 HydrophobicContact CB-CE2 3.72Å; L186-F188 HydrophobicContact CB-CZ 4.41Å; L186-F188 HydrophobicContact CD1-CE2 3.85Å; L186-F188 HydrophobicContact CD1-CZ 4.11Å; L186-F188 HydrophobicContact CG-CE2 4.45Å; F188-F191 HydrophobicContact CB-CD2 3.86Å; F188-F191 HydrophobicContact CB-CE2 4.18Å; F188-F191 HydrophobicContact CD1-CD2 4.07Å; F188-F191 AromaticContact CD1-CE2 3.71Å; F188-F191 HydrophobicContact CD1-CE2 3.71Å; F188-F191 HydrophobicContact CD1-CZ 4.3Å; F188-F191 HydrophobicContact CG-CD2 4.46Å; F188-F191 HydrophobicContact CG-CE2 4.45Å; F188-M200 HydrophobicContact CB-CG 4.09Å; F188-M200 HydrophobicContact CB-SD 3.91Å; F188-M200 HydrophobicContact CD1-CB 4.44Å; F188-M200 HydrophobicContact CD1-CG 3.68Å; F188-M200 HydrophobicContact CD2-CG 3.98Å; F188-M200 HydrophobicContact CD2-SD 4.37Å; F188-M200 HydrophobicContact CE1-CG 4.04Å; F188-M200 HydrophobicContact CE2-CG 4.31Å; F188-M200 HydrophobicContact CG-CG 3.65Å; F188-M200 HydrophobicContact CG-SD 4.07Å; F188-M200 HydrophobicContact CZ-CG 4.34Å; F188-L203 HydrophobicContact CE1-CB 4.08Å; F188-L203 HydrophobicContact CZ-CB 4.37Å; F188-K204 HydrophobicContact CE2-CB 3.9Å; F188-K204 HydrophobicContact CE2-CG 4.2Å; F188-K204 HydrophobicContact CZ-CB 3.84Å; F188-F220 WeakPolarHBondContact CA-O 3.19Å; F188-F220 HydrophobicContact CD1-CB 3.7Å; F188-F220 AromaticContact CD1-CD2 3.92Å; F188-F220 HydrophobicContact CD1-CD2 3.92Å; F188-F220 HydrophobicContact CD1-CG 4.07Å; F188-F220 HydrophobicContact CE1-CB 3.95Å; F188-F220 AromaticContact CE1-CD2 3.4Å; F188-F220 HydrophobicContact CE1-CD2 3.4Å; F188-F220 HydrophobicContact CE1-CE2 4.02Å; F188-F220 AromaticContact CE1-CG 3.78Å; F188-F220 HydrophobicContact CE1-CG 3.78Å; F188-F220 AromaticContact CZ-CD2 3.84Å; F188-F220 HydrophobicContact CZ-CD2 3.84Å; F188-F220 HydrophobicContact CZ-CE2 4.12Å
189N93.9Very high90.1Very high107 Ų10754.6 Ų54.657%0.57227%0.272SS*.EExtended strand (participates in β ladder)trans-121.2133.8179.1-172.112.6000110.4F220 A221 V222N189-F220 PolarHBondContact N-O 3.4Å; N189-A221 HydrophobicContact CB-CB 4.35Å; N189-V222 PolarHBondContact O-N 2.86Å
190G88.8Confident90.7Very high22 Ų2255.9 Ų55.923%0.22728%0.278CS..SBendtrans83.87.3175.400000116.6T192G190-T192 VanDerWaalsContact C-N 3.35Å; G190-T192 PolarHBondContact O-N 3.11Å; G190-T192 VanDerWaalsContact O-N 3.14Å
191F89.6Confident91.1Very high16 Ų1654.8 Ų54.87%0.0727%0.269CS..  trans-86.767.5176.2-65.7-87.3000112F188 G196 I199 M200 F220 V222 I227F188-F191 HydrophobicContact CB-CD2 3.86Å; F188-F191 HydrophobicContact CB-CE2 4.18Å; F188-F191 HydrophobicContact CD1-CD2 4.07Å; F188-F191 AromaticContact CD1-CE2 3.71Å; F188-F191 HydrophobicContact CD1-CE2 3.71Å; F188-F191 HydrophobicContact CD1-CZ 4.3Å; F188-F191 HydrophobicContact CG-CD2 4.46Å; F188-F191 HydrophobicContact CG-CE2 4.45Å; F191-G196 VanDerWaalsContact CD1-O 3.24Å; F191-G196 WeakPolarHBondContact CD1-O 3.39Å; F191-I199 HydrophobicContact CE1-CG2 4.16Å; F191-M200 HydrophobicContact CB-CB 4.25Å; F191-M200 HydrophobicContact CB-SD 4.32Å; F191-M200 HydrophobicContact CD1-CB 4.18Å; F191-M200 HydrophobicContact CG-CB 4.13Å; F191-F220 HydrophobicContact CE2-CB 3.96Å; F191-F220 HydrophobicContact CZ-CB 4.23Å; F191-V222 HydrophobicContact CD1-CG2 3.87Å; F191-V222 HydrophobicContact CD2-CG2 3.87Å; F191-V222 HydrophobicContact CE1-CG2 3.63Å; F191-V222 HydrophobicContact CE2-CG2 3.61Å; F191-V222 HydrophobicContact CG-CG2 4.01Å; F191-V222 HydrophobicContact CZ-CG2 3.5Å; F191-I227 HydrophobicContact CE1-CD1 3.96Å; F191-I227 HydrophobicContact CE1-CG1 4.18Å; F191-I227 HydrophobicContact CZ-CD1 4.11Å; F191-I227 HydrophobicContact CZ-CG1 4.06Å; F191-I227 HydrophobicContact CZ-CG2 3.97Å
192T88.8Confident91.5Very high79 Ų7948.2 Ų48.249%0.48524%0.238SC..  trans-91-31.9-175.454.60000113.3G190 L287 S288 A289G190-T192 VanDerWaalsContact C-N 3.35Å; G190-T192 PolarHBondContact O-N 3.11Å; G190-T192 VanDerWaalsContact O-N 3.14Å; T192-L287 PolarHBondContact N-O 3.2Å; T192-S288 WeakPolarHBondContact OG1-CA 3.38Å; T192-A289 PolarHBondContact OG1-N 2.86Å; T192-A289 PolarHBondContact OG1-O 2.51Å
193S89.3Confident91.6Very high17 Ų1744.3 Ų44.312%0.11922%0.22CC..SBendtrans-71.9162.5-176.989.80000112.2L195 G196 K197 F286 L287S193-L195 VanDerWaalsContact C-N 3.27Å; S193-L195 PolarHBondContact O-N 3.31Å; S193-L195 PolarHBondContact OG-N 2.8Å; S193-G196 WeakPolarHBondContact O-CA 3.46Å; S193-G196 PolarHBondContact O-N 3.07Å; S193-G196 VanDerWaalsContact O-N 3.09Å; S193-G196 PolarHBondContact OG-N 3.04Å; S193-K197 WeakPolarHBondContact O-CG 3.45Å; S193-K197 PolarHBondContact O-N 3.49Å; S193-F286 WeakPolarHBondContact CB-O 3.42Å; S193-F286 PolarHBondContact OG-O 2.62Å; S193-L287 WeakPolarHBondContact CB-O 3.46Å; S193-L287 PolarHBondContact N-O 3.28Å; S193-L287 VanDerWaalsContact N-O 3.11Å; S193-L287 PolarHBondContact OG-O 3.43Å
194K88Confident91.6Very high166 Ų16644.9 Ų44.972%0.72222%0.224SC*.Hα-helixtrans-58-41174.4-172.9-178.9179.5-175.30111.9K197 R198K194-K197 PolarHBondContact O-N 2.89Å; K194-R198 PolarHBondContact O-N 3.39Å
195L89.9Confident91.5Very high26 Ų2647.5 Ų47.514%0.13624%0.235CC..Hα-helixtrans-68.3-39175.1-175.174.7000111.2S193 R198 I199 I257 W272 F286 L287S193-L195 VanDerWaalsContact C-N 3.27Å; S193-L195 PolarHBondContact O-N 3.31Å; S193-L195 PolarHBondContact OG-N 2.8Å; L195-R198 WeakPolarHBondContact O-CB 3.22Å; L195-R198 PolarHBondContact O-N 2.48Å; L195-R198 VanDerWaalsContact O-N 3.16Å; L195-I199 HydrophobicContact CD2-CD1 4.48Å; L195-I199 HydrophobicContact CG-CD1 4.08Å; L195-I199 PolarHBondContact O-N 2.95Å; L195-I257 HydrophobicContact CD1-CD1 3.71Å; L195-W272 HydrophobicContact CD1-CB 3.78Å; L195-W272 HydrophobicContact CD1-CD2 4.08Å; L195-W272 HydrophobicContact CD1-CG 3.73Å; L195-W272 HydrophobicContact CD2-CD2 3.66Å; L195-W272 VanDerWaalsContact CD2-CE2 3.47Å; L195-W272 HydrophobicContact CD2-CE3 4.25Å; L195-W272 HydrophobicContact CD2-CG 3.91Å; L195-W272 HydrophobicContact CD2-CH2 4.43Å; L195-W272 HydrophobicContact CD2-CZ2 3.9Å; L195-W272 HydrophobicContact CG-CG 4.5Å; L195-F286 HydrophobicContact CD2-CB 3.96Å; L195-L287 HydrophobicContact CD2-CD2 4.37Å
196G90.5Very high91.4Very high0 Ų045.3 Ų45.30%022%0.224CC..Hα-helixtrans-57.6-48.7174.200000111.2F191 S193 R198 I199 M200F191-G196 VanDerWaalsContact CD1-O 3.24Å; F191-G196 WeakPolarHBondContact CD1-O 3.39Å; S193-G196 WeakPolarHBondContact O-CA 3.46Å; S193-G196 PolarHBondContact O-N 3.07Å; S193-G196 VanDerWaalsContact O-N 3.09Å; S193-G196 PolarHBondContact OG-N 3.04Å; G196-R198 VanDerWaalsContact C-N 3.32Å; G196-R198 PolarHBondContact O-N 2.83Å; G196-I199 PolarHBondContact O-N 2.9Å; G196-M200 VanDerWaalsContact O-CB 3.28Å; G196-M200 WeakPolarHBondContact O-CB 3.35Å; G196-M200 PolarHBondContact O-N 3.36Å
197K89.6Confident91.3Very high120 Ų12043.7 Ų43.752%0.52222%0.215SC..Hα-helixtrans-60.4-39.6173.9-67.7-179.1-177.2-177.20112.3S193 K194 M200 N201S193-K197 WeakPolarHBondContact O-CG 3.45Å; S193-K197 PolarHBondContact O-N 3.49Å; K194-K197 PolarHBondContact O-N 2.89Å; K197-M200 WeakPolarHBondContact O-CB 3.48Å; K197-M200 PolarHBondContact O-N 3.16Å; K197-N201 PolarHBondContact O-N 2.82Å; K197-N201 PolarHBondContact O-OD1 3.36Å
198R89.5Confident91.1Very high4 Ų440.5 Ų40.52%0.01520%0.2CC..Hα-helixtrans-60.3-48.3175.6-17862.7167.5161.6-5111.9V71 E74 K194 L195 G196 N201 I202 I257 E271V71-R198 PolarHBondContact O-NH1 2.9Å; E74-R198 VanDerWaalsContact CD-NH2 3.27Å; E74-R198 IonicContact OE1-CZ 3.4Å; E74-R198 IonicContact OE1-NH2 3.21Å; E74-R198 PolarHBondContact OE1-NH2 3.39Å; E74-R198 IonicContact OE2-CZ 3.72Å; E74-R198 IonicContact OE2-NH1 3.85Å; E74-R198 PolarHBondContact OE2-NH1 3.22Å; E74-R198 IonicContact OE2-NH2 3.59Å; E74-R198 PolarHBondContact OE2-NH2 3.33Å; K194-R198 PolarHBondContact O-N 3.39Å; L195-R198 WeakPolarHBondContact O-CB 3.22Å; L195-R198 PolarHBondContact O-N 2.48Å; L195-R198 VanDerWaalsContact O-N 3.16Å; G196-R198 VanDerWaalsContact C-N 3.32Å; G196-R198 PolarHBondContact O-N 2.83Å; R198-N201 PolarHBondContact O-N 2.97Å; R198-I202 HydrophobicContact CG-CD1 4.45Å; R198-I202 WeakPolarHBondContact O-CG1 3.37Å; R198-I202 PolarHBondContact O-N 3.45Å; R198-I202 VanDerWaalsContact O-N 3.13Å; R198-I257 HydrophobicContact CG-CD1 4.4Å; R198-E271 IonicContact CZ-OE2 3.66Å; R198-E271 IonicContact NE-OE1 2.86Å; R198-E271 PolarHBondContact NE-OE1 2.85Å; R198-E271 IonicContact NE-OE2 3.95Å; R198-E271 PolarHBondContact NE-OE2 3.36Å; R198-E271 IonicContact NH2-OE2 3.87Å
199I92.6Very high90.9Very high0 Ų042.9 Ų42.90%022%0.218CC..Hα-helixtrans-67.7-39.6178.4-70.6163.4000111F162 F191 L195 G196 N201 I202 L203 I227 P254 I257 L287F162-I199 HydrophobicContact CE1-CG2 3.95Å; F162-I199 HydrophobicContact CZ-CG2 4.18Å; F191-I199 HydrophobicContact CE1-CG2 4.16Å; L195-I199 HydrophobicContact CD2-CD1 4.48Å; L195-I199 HydrophobicContact CG-CD1 4.08Å; L195-I199 PolarHBondContact O-N 2.95Å; G196-I199 PolarHBondContact O-N 2.9Å; I199-N201 VanDerWaalsContact C-N 3.3Å; I199-N201 PolarHBondContact O-N 3.27Å; I199-I202 PolarHBondContact O-N 2.88Å; I199-L203 HydrophobicContact CG2-CD1 3.91Å; I199-L203 HydrophobicContact CG2-CG 4.36Å; I199-L203 WeakPolarHBondContact O-CG 3.31Å; I199-L203 PolarHBondContact O-N 2.85Å; I199-I227 HydrophobicContact CG2-CD1 3.83Å; I199-P254 HydrophobicContact CD1-CB 3.8Å; I199-P254 HydrophobicContact CD1-CG 3.75Å; I199-I257 HydrophobicContact CD1-CD1 4.15Å; I199-I257 HydrophobicContact CG1-CD1 3.75Å; I199-L287 HydrophobicContact CD1-CD2 3.38Å
200M92.7Very high90.8Very high47 Ų4739.8 Ų39.823%0.23220%0.204CC..Hα-helixtrans-55.9-45.9173.4-177.8-175.269.600110.8F188 F191 G196 K197 L203 K204F188-M200 HydrophobicContact CB-CG 4.09Å; F188-M200 HydrophobicContact CB-SD 3.91Å; F188-M200 HydrophobicContact CD1-CB 4.44Å; F188-M200 HydrophobicContact CD1-CG 3.68Å; F188-M200 HydrophobicContact CD2-CG 3.98Å; F188-M200 HydrophobicContact CD2-SD 4.37Å; F188-M200 HydrophobicContact CE1-CG 4.04Å; F188-M200 HydrophobicContact CE2-CG 4.31Å; F188-M200 HydrophobicContact CG-CG 3.65Å; F188-M200 HydrophobicContact CG-SD 4.07Å; F188-M200 HydrophobicContact CZ-CG 4.34Å; F191-M200 HydrophobicContact CB-CB 4.25Å; F191-M200 HydrophobicContact CB-SD 4.32Å; F191-M200 HydrophobicContact CD1-CB 4.18Å; F191-M200 HydrophobicContact CG-CB 4.13Å; G196-M200 VanDerWaalsContact O-CB 3.28Å; G196-M200 WeakPolarHBondContact O-CB 3.35Å; G196-M200 PolarHBondContact O-N 3.36Å; K197-M200 WeakPolarHBondContact O-CB 3.48Å; K197-M200 PolarHBondContact O-N 3.16Å; M200-L203 PolarHBondContact O-N 3.21Å; M200-K204 WeakPolarHBondContact O-CB 2.94Å; M200-K204 PolarHBondContact O-N 3.27Å
201N91Very high90.9Very high18 Ų1846 Ų4610%0.09622%0.224CC..Hα-helixtrans-59.9-49.7176-76.42.3000111.5D72 K197 R198 I199 L203 K204 Y205D72-N201 PolarHBondContact OD1-ND2 2.8Å; K197-N201 PolarHBondContact O-N 2.82Å; K197-N201 PolarHBondContact O-OD1 3.36Å; R198-N201 PolarHBondContact O-N 2.97Å; I199-N201 VanDerWaalsContact C-N 3.3Å; I199-N201 PolarHBondContact O-N 3.27Å; N201-L203 VanDerWaalsContact C-N 3.27Å; N201-L203 PolarHBondContact O-N 3.37Å; N201-K204 PolarHBondContact O-N 2.59Å; N201-Y205 HydrophobicContact CB-CD2 4.17Å; N201-Y205 HydrophobicContact CB-CE2 3.82Å; N201-Y205 WeakPolarHBondContact O-CD2 3.36Å; N201-Y205 PolarHBondContact O-N 3.34Å; N201-Y205 VanDerWaalsContact O-N 3.1Å
202I92.2Very high91Very high1 Ų154.2 Ų54.21%0.00526%0.263CS..Hα-helixtrans-56.1-42.4178.7-63.6168.7000111.4Y75 I151 P158 A160 R198 I199 L206Y75-I202 HydrophobicContact CE2-CG1 4.36Å; Y75-I202 WeakPolarHBondContact OH-CG1 3.38Å; I151-I202 HydrophobicContact CG2-CG2 4.1Å; P158-I202 HydrophobicContact CB-CD1 4.38Å; P158-I202 HydrophobicContact CG-CD1 4.06Å; P158-I202 HydrophobicContact CG-CG1 4.13Å; A160-I202 HydrophobicContact CB-CD1 4Å; A160-I202 HydrophobicContact CB-CG2 4.25Å; R198-I202 HydrophobicContact CG-CD1 4.45Å; R198-I202 WeakPolarHBondContact O-CG1 3.37Å; R198-I202 PolarHBondContact O-N 3.45Å; R198-I202 VanDerWaalsContact O-N 3.13Å; I199-I202 PolarHBondContact O-N 2.88Å; I202-L206 WeakPolarHBondContact O-CG 3.5Å
203L93Very high91Very high5 Ų555.6 Ų55.63%0.02627%0.268CS..Hα-helixtrans-77-37.5-179.6-67.8174.9000113I151 F162 F188 I199 M200 N201 L206 F207 F220 I227I151-L203 HydrophobicContact CD1-CD2 3.75Å; F162-L203 HydrophobicContact CZ-CD2 4.36Å; F188-L203 HydrophobicContact CE1-CB 4.08Å; F188-L203 HydrophobicContact CZ-CB 4.37Å; I199-L203 HydrophobicContact CG2-CD1 3.91Å; I199-L203 HydrophobicContact CG2-CG 4.36Å; I199-L203 WeakPolarHBondContact O-CG 3.31Å; I199-L203 PolarHBondContact O-N 2.85Å; M200-L203 PolarHBondContact O-N 3.21Å; N201-L203 VanDerWaalsContact C-N 3.27Å; N201-L203 PolarHBondContact O-N 3.37Å; L203-L206 HydrophobicContact CD2-CD1 4.38Å; L203-L206 PolarHBondContact O-N 3.5Å; L203-F207 WeakPolarHBondContact O-CD2 3.29Å; L203-F207 VanDerWaalsContact O-CE2 3.31Å; L203-F207 WeakPolarHBondContact O-CE2 3.31Å; L203-F220 HydrophobicContact CD1-CD1 4.03Å; L203-F220 HydrophobicContact CD1-CE1 4.09Å; L203-F220 HydrophobicContact CD2-CE1 4.5Å; L203-I227 HydrophobicContact CD1-CD1 4.42Å
204K92.4Very high91.1Very high94 Ų9455 Ų5541%0.40926%0.263SS..Hα-helixtrans-62.8-44.4-179.1178.8-175.9175.5-1720111.4L186 F188 M200 N201 L206 F207L186-K204 HydrophobicContact CD1-CG 4.24Å; F188-K204 HydrophobicContact CE2-CB 3.9Å; F188-K204 HydrophobicContact CE2-CG 4.2Å; F188-K204 HydrophobicContact CZ-CB 3.84Å; M200-K204 WeakPolarHBondContact O-CB 2.94Å; M200-K204 PolarHBondContact O-N 3.27Å; N201-K204 PolarHBondContact O-N 2.59Å; K204-L206 PolarHBondContact O-N 2.86Å; K204-F207 PolarHBondContact O-N 2.71Å; K204-F207 VanDerWaalsContact O-N 3.14Å
205Y90.9Very high91.3Very high56 Ų5652.6 Ų52.622%0.2225%0.253CS..THydrogen-bonded Turntrans-76-1.3-174.2-62.8-51.5000114.6Y75 A78 N201 F207Y75-Y205 VanDerWaalsContact CB-CD2 3.48Å; Y75-Y205 AromaticContact CD1-CD2 3.18Å; Y75-Y205 HydrophobicContact CD1-CD2 3.18Å; Y75-Y205 AromaticContact CD1-CE2 3.97Å; Y75-Y205 HydrophobicContact CD1-CE2 3.97Å; Y75-Y205 AromaticContact CD1-CG 3.61Å; Y75-Y205 HydrophobicContact CD1-CG 3.61Å; Y75-Y205 AromaticContact CD2-CD2 3.68Å; Y75-Y205 HydrophobicContact CD2-CD2 3.68Å; Y75-Y205 AromaticContact CD2-CE2 3.82Å; Y75-Y205 HydrophobicContact CD2-CE2 3.82Å; Y75-Y205 AromaticContact CE1-CD2 3.73Å; Y75-Y205 HydrophobicContact CE1-CD2 3.73Å; Y75-Y205 HydrophobicContact CE1-CG 4.16Å; Y75-Y205 HydrophobicContact CE2-CD2 4.18Å; Y75-Y205 AromaticContact CG-CD2 3.14Å; Y75-Y205 HydrophobicContact CG-CD2 3.14Å; Y75-Y205 AromaticContact CG-CE2 3.43Å; Y75-Y205 HydrophobicContact CG-CE2 3.43Å; Y75-Y205 VanDerWaalsContact CG-CE2 3.43Å; Y75-Y205 AromaticContact CG-CG 3.97Å; Y75-Y205 HydrophobicContact CG-CG 3.97Å; A78-Y205 HydrophobicContact CB-CD1 3.23Å; A78-Y205 HydrophobicContact CB-CE1 3.23Å; A78-Y205 HydrophobicContact CB-CG 3.99Å; N201-Y205 HydrophobicContact CB-CD2 4.17Å; N201-Y205 HydrophobicContact CB-CE2 3.82Å; N201-Y205 WeakPolarHBondContact O-CD2 3.36Å; N201-Y205 PolarHBondContact O-N 3.34Å; N201-Y205 VanDerWaalsContact O-N 3.1Å; Y205-F207 PolarHBondContact O-N 2.84Å
206L91.5Very high91.4Very high0 Ų051.4 Ų51.40%025%0.247CC..THydrogen-bonded Turntrans-76.8-8.9167.5-60.7171.2000113I85 F108 D135 I151 I202 L203 K204I85-L206 HydrophobicContact CD1-CB 3.88Å; I85-L206 HydrophobicContact CD1-CD2 3.93Å; I85-L206 WeakPolarHBondContact CD1-O 3.47Å; F108-L206 HydrophobicContact CD1-CB 4.1Å; F108-L206 HydrophobicContact CE1-CB 3.77Å; F108-L206 HydrophobicContact CE1-CD1 3.85Å; F108-L206 HydrophobicContact CE1-CG 4.42Å; F108-L206 HydrophobicContact CZ-CD1 4.02Å; D135-L206 HydrophobicContact CB-CD2 3.56Å; D135-L206 VanDerWaalsContact CG-CD2 3.43Å; I151-L206 HydrophobicContact CD1-CD1 3.86Å; I151-L206 HydrophobicContact CG2-CD1 3.99Å; I151-L206 HydrophobicContact CG2-CD2 3.97Å; I151-L206 HydrophobicContact CG2-CG 4.48Å; I202-L206 WeakPolarHBondContact O-CG 3.5Å; L203-L206 HydrophobicContact CD2-CD1 4.38Å; L203-L206 PolarHBondContact O-N 3.5Å; K204-L206 PolarHBondContact O-N 2.86Å
207F92.5Very high91.5Very high14 Ų1452.8 Ų52.86%0.06125%0.254CS..SBendtrans-114.8140-179.4-57.1-87.7000111F107 F108 P184 L186 L203 K204 Y205 F220F107-F207 AromaticContact CE1-CE1 3.81Å; F107-F207 HydrophobicContact CE1-CE1 3.81Å; F107-F207 AromaticContact CE1-CZ 3.51Å; F107-F207 HydrophobicContact CE1-CZ 3.51Å; F107-F207 HydrophobicContact CE2-CE1 4.05Å; F107-F207 HydrophobicContact CE2-CZ 4.22Å; F107-F207 AromaticContact CZ-CE1 3.48Å; F107-F207 HydrophobicContact CZ-CE1 3.48Å; F107-F207 VanDerWaalsContact CZ-CE1 3.48Å; F107-F207 AromaticContact CZ-CZ 3.25Å; F107-F207 HydrophobicContact CZ-CZ 3.25Å; F108-F207 HydrophobicContact CD1-CD1 4.32Å; F108-F207 AromaticContact CD1-CE1 3.62Å; F108-F207 HydrophobicContact CD1-CE1 3.62Å; F108-F207 HydrophobicContact CD1-CE2 4.38Å; F108-F207 AromaticContact CD1-CZ 3.64Å; F108-F207 HydrophobicContact CD1-CZ 3.64Å; F108-F207 AromaticContact CE1-CE1 3.89Å; F108-F207 HydrophobicContact CE1-CE1 3.89Å; F108-F207 AromaticContact CE1-CE2 3.95Å; F108-F207 HydrophobicContact CE1-CE2 3.95Å; F108-F207 AromaticContact CE1-CZ 3.38Å; F108-F207 HydrophobicContact CE1-CZ 3.38Å; F108-F207 HydrophobicContact CZ-CZ 4.5Å; P184-F207 HydrophobicContact CG-CD1 3.6Å; P184-F207 HydrophobicContact CG-CE1 4.04Å; P184-F207 HydrophobicContact CG-CG 4.45Å; L186-F207 HydrophobicContact CD1-CB 3.98Å; L186-F207 HydrophobicContact CD1-CD2 3.57Å; L186-F207 HydrophobicContact CD1-CE2 4.39Å; L186-F207 HydrophobicContact CD1-CG 3.98Å; L186-F207 HydrophobicContact CD2-CB 4.33Å; L186-F207 HydrophobicContact CD2-CD1 4.11Å; L186-F207 HydrophobicContact CD2-CD2 3.67Å; L186-F207 HydrophobicContact CD2-CE1 4.39Å; L186-F207 HydrophobicContact CD2-CE2 3.98Å; L186-F207 HydrophobicContact CD2-CG 3.75Å; L186-F207 HydrophobicContact CD2-CZ 4.34Å; L186-F207 HydrophobicContact CG-CB 4.49Å; L186-F207 HydrophobicContact CG-CD2 4.24Å; L186-F207 HydrophobicContact CG-CG 4.37Å; L203-F207 WeakPolarHBondContact O-CD2 3.29Å; L203-F207 VanDerWaalsContact O-CE2 3.31Å; L203-F207 WeakPolarHBondContact O-CE2 3.31Å; K204-F207 PolarHBondContact O-N 2.71Å; K204-F207 VanDerWaalsContact O-N 3.14Å; Y205-F207 PolarHBondContact O-N 2.84Å; F207-F220 HydrophobicContact CE2-CE2 4.14Å; F207-F220 HydrophobicContact CE2-CZ 4.12Å; F207-F220 HydrophobicContact CZ-CZ 4.3Å
208P91.7Very high91.8Very high8 Ų847.1 Ų47.15%0.05223%0.229CC..PPolyproline II helixtrans-68162.8167.731.4-34.7000110.4D82 P109 Y183 P210D82-P208 HydrophobicContact CB-CB 4.48Å; P109-P208 HydrophobicContact CB-CG 4.2Å; P109-P208 HydrophobicContact CG-CG 3.56Å; Y183-P208 HydrophobicContact CD1-CB 4.49Å; Y183-P208 HydrophobicContact CD1-CG 3.51Å; Y183-P208 HydrophobicContact CD2-CB 3.81Å; Y183-P208 HydrophobicContact CD2-CG 3.62Å; Y183-P208 HydrophobicContact CE1-CB 4.37Å; Y183-P208 HydrophobicContact CE1-CG 3.61Å; Y183-P208 HydrophobicContact CE2-CB 3.63Å; Y183-P208 HydrophobicContact CE2-CG 3.7Å; Y183-P208 HydrophobicContact CG-CB 4.22Å; Y183-P208 HydrophobicContact CG-CG 3.5Å; P208-P210 WeakPolarHBondContact O-CD 3.38Å
209V90.5Very high92Very high100 Ų10048.4 Ų48.461%0.60624%0.238SC*.PPolyproline II helixtrans-66.7120.9178.9-178.30000109.4Y183Y183-V209 WeakPolarHBondContact CD2-O 3.42Å
210P91.9Very high92.2Very high43 Ų4348.7 Ų48.728%0.27924%0.239SC..PPolyproline II helixtrans-72.6152.9-179.930.8-35.1000111.4P208P208-P210 WeakPolarHBondContact O-CD 3.38Å
211K91.4Very high92.3Very high151 Ų15147.8 Ų47.866%0.65724%0.239SC*.PPolyproline II helixtrans-77.9155166.6-63.1-177.1177.6-176.20110.2H185 D213 S214H185-K211 PolarHBondContact CE1-O 3.47Å; H185-K211 VanDerWaalsContact CE1-O 3.22Å; H185-K211 PolarHBondContact NE2-O 2.82Å; K211-D213 WeakPolarHBondContact CB-OD1 3.18Å; K211-D213 PolarHBondContact O-N 2.88Å; K211-S214 WeakPolarHBondContact O-CB 3.32Å; K211-S214 PolarHBondContact O-N 2.91Å
212E90.2Very high92.5Very high190 Ų19048 Ų4889%0.88824%0.241SC*.THydrogen-bonded Turntrans-62.4-26.7179-60.9-176.7168.600113.5S214E212-S214 VanDerWaalsContact C-N 3.31Å; E212-S214 PolarHBondContact O-N 3.24Å
213D90.8Very high92.4Very high108 Ų10854.4 Ų54.458%0.57827%0.271SS*.THydrogen-bonded Turntrans-86.22.7-179.569-31.4000113.8K211 K215K211-D213 WeakPolarHBondContact CB-OD1 3.18Å; K211-D213 PolarHBondContact O-N 2.88Å; D213-K215 PolarHBondContact O-N 2.83Å
214S91.2Very high92Very high3 Ų361.4 Ų61.42%0.02130%0.303CS..  trans-69.3128.2-177-172.30000111.5Y183 H185 K211 E212 R216 Y234Y183-S214 VanDerWaalsContact O-CB 3.3Å; Y183-S214 WeakPolarHBondContact O-CB 3.49Å; Y183-S214 PolarHBondContact O-OG 3.1Å; H185-S214 PolarHBondContact CD2-O 3.2Å; H185-S214 PolarHBondContact NE2-O 2.9Å; K211-S214 WeakPolarHBondContact O-CB 3.32Å; K211-S214 PolarHBondContact O-N 2.91Å; E212-S214 VanDerWaalsContact C-N 3.31Å; E212-S214 PolarHBondContact O-N 3.24Å; S214-R216 VanDerWaalsContact C-N 3.35Å; S214-Y234 VanDerWaalsContact O-CE1 3.24Å; S214-Y234 WeakPolarHBondContact O-CE1 3.27Å; S214-Y234 PolarHBondContact O-OH 3.5Å
215K91.5Very high91.8Very high117 Ų11757.5 Ų57.551%0.50929%0.287SS..  trans-90.2-3.4179.5-63.7-175.7-177.6178.90113.3D213 V233 Y234D213-K215 PolarHBondContact O-N 2.83Å; K215-V233 HydrophobicContact CB-CG1 4.25Å; K215-V233 WeakPolarHBondContact O-CA 3.41Å; K215-Y234 VanDerWaalsContact CA-CE1 3.43Å; K215-Y234 HydrophobicContact CB-CE1 4.43Å; K215-Y234 WeakPolarHBondContact O-CD1 3.41Å; K215-Y234 PolarHBondContact O-N 3.3Å
216R92.1Very high91.9Very high1 Ų158.9 Ų58.90%0.00429%0.292CS..EExtended strand (participates in β ladder)trans-95.7128.9-172.2-170.4-173.7173.1-165.7-6.4109.8F107 Q182 P184 H185 S214 H231F107-R216 VanDerWaalsContact CD2-NH2 3.34Å; F107-R216 PolarHBondContact O-NH1 2.69Å; F107-R216 PolarHBondContact O-NH2 2.9Å; Q182-R216 WeakPolarHBondContact O-CD 3.42Å; Q182-R216 PolarHBondContact O-NH1 2.88Å; Q182-R216 VanDerWaalsContact O-NH1 3.13Å; P184-R216 CarbonylContact C-O 3.59Å; P184-R216 WeakPolarHBondContact CA-O 3.47Å; P184-R216 HydrophobicContact CB-CB 4.33Å; P184-R216 HydrophobicContact CB-CG 3.92Å; H185-R216 PolarHBondContact N-O 2.94Å; S214-R216 VanDerWaalsContact C-N 3.35Å; R216-H231 VanDerWaalsContact CG-NE2 3.32Å; R216-H231 WeakPolarHBondContact CG-NE2 3.31Å; R216-H231 PolarHBondContact NE-CE1 2.9Å; R216-H231 PolarHBondContact NE-NE2 2.98Å
217L93Very high92.1Very high29 Ų2958.9 Ų58.915%0.15229%0.292CS..EExtended strand (participates in β ladder)trans-124.6133.8-178-71.3163.8000110.8H185 I187 H231 H232 Y234 L243H185-L217 HydrophobicContact CB-CD2 3.57Å; H185-L217 CarbonylContact O-C 3.58Å; H185-L217 WeakPolarHBondContact O-CA 3.4Å; I187-L217 HydrophobicContact CD1-CD2 4.14Å; L217-H231 PolarHBondContact O-CD2 2.86Å; L217-H232 PolarHBondContact N-O 3.1Å; L217-H232 PolarHBondContact O-N 3.13Å; L217-Y234 HydrophobicContact CD1-CD1 3.34Å; L217-Y234 HydrophobicContact CD1-CE1 4.14Å; L217-Y234 HydrophobicContact CD1-CG 3.94Å; L217-Y234 HydrophobicContact CG-CD1 3.68Å; L217-Y234 HydrophobicContact CG-CE1 4.15Å; L217-L243 HydrophobicContact CD1-CD2 4.06Å
218V94.3Very high92.2Very high0 Ų059 Ų590%030%0.295CS..EExtended strand (participates in β ladder)trans-122.2124.4175.3175.10000108.1F107 P184 H185 L186 I187 F220 F229F107-V218 HydrophobicContact CE2-CB 4.45Å; F107-V218 HydrophobicContact CE2-CG1 3.94Å; F107-V218 HydrophobicContact CE2-CG2 3.61Å; F107-V218 HydrophobicContact CZ-CG1 3.89Å; F107-V218 HydrophobicContact CZ-CG2 4.29Å; P184-V218 HydrophobicContact CB-CB 4.31Å; P184-V218 HydrophobicContact CB-CG2 3.51Å; P184-V218 HydrophobicContact CG-CG2 3.94Å; H185-V218 PolarHBondContact O-N 2.84Å; L186-V218 CarbonylContact C-O 3.55Å; L186-V218 WeakPolarHBondContact CA-O 3.25Å; L186-V218 HydrophobicContact CD2-CB 3.9Å; L186-V218 HydrophobicContact CD2-CG1 4.25Å; I187-V218 PolarHBondContact N-O 3.36Å; V218-F220 HydrophobicContact CG1-CD2 4.15Å; V218-F220 HydrophobicContact CG1-CE2 3.54Å; V218-F220 HydrophobicContact CG1-CZ 3.98Å; V218-F229 HydrophobicContact CG1-CD2 4.23Å; V218-F229 HydrophobicContact CG1-CE2 3.44Å; V218-F229 VanDerWaalsContact CG1-CE2 3.44Å; V218-F229 HydrophobicContact CG1-CZ 4.18Å
219T95.2Very high92.3Very high32 Ų3258.7 Ų58.720%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-113.7125.8-175.8-50.30000109.7I187 A221 F229 R230I187-T219 HydrophobicContact CB-CG2 4.18Å; I187-T219 HydrophobicContact CG2-CG2 4.13Å; T219-A221 HydrophobicContact CG2-CB 4.42Å; T219-F229 WeakPolarHBondContact O-CA 3.23Å; T219-R230 PolarHBondContact N-O 3.25Å; T219-R230 PolarHBondContact O-N 3.36Å
220F95.9Very high92.5Very high5 Ų557.2 Ų57.22%0.02228%0.276CS..EExtended strand (participates in β ladder)trans-111.9104167-62.7-85.9000107.4I187 F188 N189 F191 L203 F207 V218 I227 F229 M252I187-F220 PolarHBondContact O-N 3.11Å; F188-F220 WeakPolarHBondContact CA-O 3.19Å; F188-F220 HydrophobicContact CD1-CB 3.7Å; F188-F220 AromaticContact CD1-CD2 3.92Å; F188-F220 HydrophobicContact CD1-CD2 3.92Å; F188-F220 HydrophobicContact CD1-CG 4.07Å; F188-F220 HydrophobicContact CE1-CB 3.95Å; F188-F220 AromaticContact CE1-CD2 3.4Å; F188-F220 HydrophobicContact CE1-CD2 3.4Å; F188-F220 HydrophobicContact CE1-CE2 4.02Å; F188-F220 AromaticContact CE1-CG 3.78Å; F188-F220 HydrophobicContact CE1-CG 3.78Å; F188-F220 AromaticContact CZ-CD2 3.84Å; F188-F220 HydrophobicContact CZ-CD2 3.84Å; F188-F220 HydrophobicContact CZ-CE2 4.12Å; N189-F220 PolarHBondContact N-O 3.4Å; F191-F220 HydrophobicContact CE2-CB 3.96Å; F191-F220 HydrophobicContact CZ-CB 4.23Å; L203-F220 HydrophobicContact CD1-CD1 4.03Å; L203-F220 HydrophobicContact CD1-CE1 4.09Å; L203-F220 HydrophobicContact CD2-CE1 4.5Å; F207-F220 HydrophobicContact CE2-CE2 4.14Å; F207-F220 HydrophobicContact CE2-CZ 4.12Å; F207-F220 HydrophobicContact CZ-CZ 4.3Å; V218-F220 HydrophobicContact CG1-CD2 4.15Å; V218-F220 HydrophobicContact CG1-CE2 3.54Å; V218-F220 HydrophobicContact CG1-CZ 3.98Å; F220-I227 HydrophobicContact CB-CG2 4.1Å; F220-I227 HydrophobicContact CD1-CG2 3.93Å; F220-F229 AromaticContact CD1-CD2 3.93Å; F220-F229 HydrophobicContact CD1-CD2 3.93Å; F220-F229 AromaticContact CE1-CD2 3.47Å; F220-F229 HydrophobicContact CE1-CD2 3.47Å; F220-F229 VanDerWaalsContact CE1-CD2 3.47Å; F220-F229 HydrophobicContact CE1-CE2 4.01Å; F220-F229 AromaticContact CZ-CD2 3.85Å; F220-F229 HydrophobicContact CZ-CD2 3.85Å; F220-F229 AromaticContact CZ-CE2 3.91Å; F220-F229 HydrophobicContact CZ-CE2 3.91Å; F220-M252 HydrophobicContact CD1-CE 3.84Å; F220-M252 HydrophobicContact CE1-CE 3.64Å
221A95.4Very high92.5Very high28 Ų2855.2 Ų55.223%0.23126%0.263CS..EExtended strand (participates in β ladder)trans-112.4129.2178.400000109.9N189 T219 I227 S228N189-A221 HydrophobicContact CB-CB 4.35Å; T219-A221 HydrophobicContact CG2-CB 4.42Å; A221-I227 CarbonylContact O-C 3.33Å; A221-S228 PolarHBondContact N-O 3.43Å; A221-S228 WeakPolarHBondContact O-CB 3.44Å; A221-S228 PolarHBondContact O-N 3.08Å
222V94Very high92.5Very high24 Ų2449.7 Ų49.715%0.14524%0.24CC..EExtended strand (participates in β ladder)trans-90126.1176.9178.40000110.1N189 F191 Y226 I227 L287N189-V222 PolarHBondContact O-N 2.86Å; F191-V222 HydrophobicContact CD1-CG2 3.87Å; F191-V222 HydrophobicContact CD2-CG2 3.87Å; F191-V222 HydrophobicContact CE1-CG2 3.63Å; F191-V222 HydrophobicContact CE2-CG2 3.61Å; F191-V222 HydrophobicContact CG-CG2 4.01Å; F191-V222 HydrophobicContact CZ-CG2 3.5Å; V222-Y226 WeakPolarHBondContact CA-O 3.32Å; V222-I227 HydrophobicContact CG2-CG1 4.22Å; V222-L287 HydrophobicContact CG1-CB 3.75Å; V222-L287 HydrophobicContact CG1-CD1 4.1Å; V222-L287 HydrophobicContact CG2-CB 4.35Å; V222-L287 HydrophobicContact CG2-CD1 4.23Å
223E90.2Very high92.6Very high135 Ų13541.9 Ų41.963%0.63121%0.205SC*.EExtended strand (participates in β ladder)trans-134.8119.6170.9-173.1171.4-166.500108.2D225 Y226E223-D225 VanDerWaalsContact C-N 3.3Å; E223-D225 PolarHBondContact O-N 2.83Å; E223-D225 VanDerWaalsContact O-N 3.16Å; E223-Y226 PolarHBondContact N-O 2.89Å; E223-Y226 WeakPolarHBondContact O-CA 3.41Å; E223-Y226 WeakPolarHBondContact O-CB 3.27Å; E223-Y226 PolarHBondContact O-N 3.39Å
224E86.3Confident92.6Very high151 Ų15139.4 Ų39.471%0.70619%0.188SC*.THydrogen-bonded Turntrans4843.8-179.6-57.3-170.9167.700115.2Y226E224-Y226 HydrophobicContact CB-CD2 4.49Å; E224-Y226 VanDerWaalsContact O-CD2 3.32Å; E224-Y226 WeakPolarHBondContact O-CD2 3.4Å; E224-Y226 PolarHBondContact O-N 3.04Å
225D86.9Confident92.7Very high13 Ų1344.9 Ų44.97%0.0721%0.211CC..THydrogen-bonded Turntrans65.45.3-173.7-68.1-28.3000116.6E223 L285 F286 L287E223-D225 VanDerWaalsContact C-N 3.3Å; E223-D225 PolarHBondContact O-N 2.83Å; E223-D225 VanDerWaalsContact O-N 3.16Å; D225-L285 WeakPolarHBondContact OD2-CA 3.24Å; D225-F286 VanDerWaalsContact CG-N 3.28Å; D225-F286 PolarHBondContact OD1-N 3.12Å; D225-F286 WeakPolarHBondContact OD2-CD2 3.37Å; D225-F286 PolarHBondContact OD2-N 3.44Å; D225-L287 HydrophobicContact CB-CG 4.49Å; D225-L287 PolarHBondContact OD1-N 3.48Å
226Y93Very high92.6Very high85 Ų8546.1 Ų46.133%0.33322%0.219SC..EExtended strand (participates in β ladder)trans-89.8129.8165.9-63.9-89000109.5V222 E223 E224 S228 K253V222-Y226 WeakPolarHBondContact CA-O 3.32Å; E223-Y226 PolarHBondContact N-O 2.89Å; E223-Y226 WeakPolarHBondContact O-CA 3.41Å; E223-Y226 WeakPolarHBondContact O-CB 3.27Å; E223-Y226 PolarHBondContact O-N 3.39Å; E224-Y226 HydrophobicContact CB-CD2 4.49Å; E224-Y226 VanDerWaalsContact O-CD2 3.32Å; E224-Y226 WeakPolarHBondContact O-CD2 3.4Å; E224-Y226 PolarHBondContact O-N 3.04Å; Y226-S228 PolarHBondContact O-N 3.08Å; Y226-K253 HydrophobicContact CD1-CB 4.03Å; Y226-K253 HydrophobicContact CD1-CD 4.29Å; Y226-K253 HydrophobicContact CE1-CB 4.11Å; Y226-K253 HydrophobicContact CE1-CD 3.73Å; Y226-K253 HydrophobicContact CE1-CG 4.46Å
227I95.5Very high92.5Very high0 Ų052.3 Ų52.30%025%0.248CC..EExtended strand (participates in β ladder)trans-92.3100.3173.7-55.9166.7000106.9F162 F191 I199 L203 F220 A221 V222 F229 E251 M252 P254 L287F162-I227 HydrophobicContact CE1-CD1 4.32Å; F191-I227 HydrophobicContact CE1-CD1 3.96Å; F191-I227 HydrophobicContact CE1-CG1 4.18Å; F191-I227 HydrophobicContact CZ-CD1 4.11Å; F191-I227 HydrophobicContact CZ-CG1 4.06Å; F191-I227 HydrophobicContact CZ-CG2 3.97Å; I199-I227 HydrophobicContact CG2-CD1 3.83Å; L203-I227 HydrophobicContact CD1-CD1 4.42Å; F220-I227 HydrophobicContact CB-CG2 4.1Å; F220-I227 HydrophobicContact CD1-CG2 3.93Å; A221-I227 CarbonylContact O-C 3.33Å; V222-I227 HydrophobicContact CG2-CG1 4.22Å; I227-F229 PolarHBondContact O-N 3.13Å; I227-E251 WeakPolarHBondContact O-CA 3.44Å; I227-M252 HydrophobicContact CB-CG 3.66Å; I227-M252 WeakPolarHBondContact CB-O 3.35Å; I227-M252 HydrophobicContact CD1-CG 4.24Å; I227-M252 HydrophobicContact CG1-CG 4.46Å; I227-M252 HydrophobicContact CG2-CE 4.07Å; I227-M252 HydrophobicContact CG2-CG 4.12Å; I227-M252 PolarHBondContact N-O 2.85Å; I227-M252 PolarHBondContact O-N 2.93Å; I227-P254 HydrophobicContact CD1-CG 4.48Å; I227-L287 HydrophobicContact CD1-CD1 3.95Å; I227-L287 HydrophobicContact CG1-CD1 3.65Å
228S95.3Very high92.3Very high16 Ų1654 Ų5411%0.11227%0.272CS..EExtended strand (participates in β ladder)trans-71.5115.8172.2-77.30000109.7A221 Y226A221-S228 PolarHBondContact N-O 3.43Å; A221-S228 WeakPolarHBondContact O-CB 3.44Å; A221-S228 PolarHBondContact O-N 3.08Å; Y226-S228 PolarHBondContact O-N 3.08Å
229F94.7Very high92Very high1 Ų159.5 Ų59.50%0.00431%0.311CS..EExtended strand (participates in β ladder)trans-100.8127.3177.8173.3-94.6000110.6F107 V218 T219 F220 I227 H231 P248 F250 M252F107-F229 AromaticContact CD2-CZ 3.83Å; F107-F229 HydrophobicContact CD2-CZ 3.83Å; F107-F229 HydrophobicContact CE1-CE2 4.03Å; F107-F229 AromaticContact CE1-CZ 3.97Å; F107-F229 HydrophobicContact CE1-CZ 3.97Å; F107-F229 HydrophobicContact CE2-CE1 4.45Å; F107-F229 AromaticContact CE2-CE2 3.66Å; F107-F229 HydrophobicContact CE2-CE2 3.66Å; F107-F229 AromaticContact CE2-CZ 3.25Å; F107-F229 HydrophobicContact CE2-CZ 3.25Å; F107-F229 HydrophobicContact CG-CZ 4.44Å; F107-F229 AromaticContact CZ-CE2 3.28Å; F107-F229 HydrophobicContact CZ-CE2 3.28Å; F107-F229 AromaticContact CZ-CZ 3.3Å; F107-F229 HydrophobicContact CZ-CZ 3.3Å; V218-F229 HydrophobicContact CG1-CD2 4.23Å; V218-F229 HydrophobicContact CG1-CE2 3.44Å; V218-F229 VanDerWaalsContact CG1-CE2 3.44Å; V218-F229 HydrophobicContact CG1-CZ 4.18Å; T219-F229 WeakPolarHBondContact O-CA 3.23Å; F220-F229 AromaticContact CD1-CD2 3.93Å; F220-F229 HydrophobicContact CD1-CD2 3.93Å; F220-F229 AromaticContact CE1-CD2 3.47Å; F220-F229 HydrophobicContact CE1-CD2 3.47Å; F220-F229 VanDerWaalsContact CE1-CD2 3.47Å; F220-F229 HydrophobicContact CE1-CE2 4.01Å; F220-F229 AromaticContact CZ-CD2 3.85Å; F220-F229 HydrophobicContact CZ-CD2 3.85Å; F220-F229 AromaticContact CZ-CE2 3.91Å; F220-F229 HydrophobicContact CZ-CE2 3.91Å; I227-F229 PolarHBondContact O-N 3.13Å; F229-H231 HydrophobicContact CE1-CB 4.37Å; F229-H231 HydrophobicContact CZ-CB 4.25Å; F229-P248 WeakPolarHBondContact CD1-O 3.33Å; F229-P248 WeakPolarHBondContact CE1-O 3.48Å; F229-F250 HydrophobicContact CB-CD1 4.5Å; F229-F250 HydrophobicContact CB-CD2 3.97Å; F229-F250 HydrophobicContact CB-CE1 4.33Å; F229-F250 HydrophobicContact CB-CE2 3.81Å; F229-F250 HydrophobicContact CB-CG 4.33Å; F229-F250 HydrophobicContact CB-CZ 3.98Å; F229-F250 WeakPolarHBondContact CB-O 3.45Å; F229-F250 AromaticContact CD1-CD1 3.63Å; F229-F250 HydrophobicContact CD1-CD1 3.63Å; F229-F250 HydrophobicContact CD1-CD2 4.5Å; F229-F250 AromaticContact CD1-CE1 3.17Å; F229-F250 HydrophobicContact CD1-CE1 3.17Å; F229-F250 HydrophobicContact CD1-CE2 4.17Å; F229-F250 HydrophobicContact CD1-CG 4.27Å; F229-F250 AromaticContact CD1-CZ 3.49Å; F229-F250 HydrophobicContact CD1-CZ 3.49Å; F229-F250 VanDerWaalsContact CD1-CZ 3.49Å; F229-F250 HydrophobicContact CD2-CZ 4.29Å; F229-F250 HydrophobicContact CE1-CD1 4.3Å; F229-F250 AromaticContact CE1-CE1 3.58Å; F229-F250 HydrophobicContact CE1-CE1 3.58Å; F229-F250 HydrophobicContact CE1-CZ 4.03Å; F229-F250 HydrophobicContact CG-CD1 4.36Å; F229-F250 HydrophobicContact CG-CD2 4.46Å; F229-F250 AromaticContact CG-CE1 3.83Å; F229-F250 HydrophobicContact CG-CE1 3.83Å; F229-F250 AromaticContact CG-CE2 3.99Å; F229-F250 HydrophobicContact CG-CE2 3.99Å; F229-F250 AromaticContact CG-CZ 3.63Å; F229-F250 HydrophobicContact CG-CZ 3.63Å; F229-F250 HydrophobicContact CZ-CE1 4.49Å; F229-F250 PolarHBondContact N-O 3.05Å; F229-M252 HydrophobicContact CB-CE 3.81Å; F229-M252 HydrophobicContact CD2-CE 4.36Å; F229-M252 HydrophobicContact CG-CE 4.35Å
230R93.2Very high91.7Very high69 Ų6963.6 Ų63.626%0.2633%0.331SS..EExtended strand (participates in β ladder)trans-138.7146.8174.5-60.1-67.6-178.7-88.5-2.4111.1T219 H232 F250T219-R230 PolarHBondContact N-O 3.25Å; T219-R230 PolarHBondContact O-N 3.36Å; R230-H232 VanDerWaalsContact CB-CE1 3.43Å; R230-H232 WeakPolarHBondContact CB-CE1 3.36Å; R230-F250 PolarHBondContact NH1-O 3.15Å
231H91.9Very high91.5Very high1 Ų168.8 Ų68.81%0.00536%0.358CS..EExtended strand (participates in β ladder)trans-126.7112.3-178.7174.6-144000110.8R216 L217 F229 E245 M246R216-H231 VanDerWaalsContact CG-NE2 3.32Å; R216-H231 WeakPolarHBondContact CG-NE2 3.31Å; R216-H231 PolarHBondContact NE-CE1 2.9Å; R216-H231 PolarHBondContact NE-NE2 2.98Å; L217-H231 PolarHBondContact O-CD2 2.86Å; F229-H231 HydrophobicContact CE1-CB 4.37Å; F229-H231 HydrophobicContact CZ-CB 4.25Å; H231-E245 WeakPolarHBondContact O-CG 3.33Å; H231-M246 PolarHBondContact O-N 3.4Å
232H91.9Very high91.4Very high36 Ų3670.2 Ų70.217%0.16736%0.364CS..EExtended strand (participates in β ladder)trans-119.1155.5-176.3-58.7102.4000111.5L217 R230 L243 T244L217-H232 PolarHBondContact N-O 3.1Å; L217-H232 PolarHBondContact O-N 3.13Å; R230-H232 VanDerWaalsContact CB-CE1 3.43Å; R230-H232 WeakPolarHBondContact CB-CE1 3.36Å; H232-L243 HydrophobicContact CB-CB 4.48Å; H232-L243 HydrophobicContact CB-CD2 4.37Å; H232-T244 CarbonylContact C-O 3.59Å; H232-T244 WeakPolarHBondContact CA-O 3.41Å
233V91.9Very high91.4Very high25 Ų2573.6 Ų73.615%0.15238%0.381CS..EExtended strand (participates in β ladder)trans-116130.5161.4170.20000106.6K215 T244 M246K215-V233 HydrophobicContact CB-CG1 4.25Å; K215-V233 WeakPolarHBondContact O-CA 3.41Å; V233-T244 PolarHBondContact N-O 2.88Å; V233-T244 PolarHBondContact O-N 3.25Å; V233-M246 HydrophobicContact CB-CG 4.04Å; V233-M246 HydrophobicContact CG2-CB 4.47Å; V233-M246 HydrophobicContact CG2-CG 3.61Å
234Y92.1Very high91.4Very high56 Ų5670.1 Ų70.122%0.2237%0.369CS..EExtended strand (participates in β ladder)trans-97.1146.4176.675.4-86.9000111.1S214 K215 L217 I241 V242S214-Y234 VanDerWaalsContact O-CE1 3.24Å; S214-Y234 WeakPolarHBondContact O-CE1 3.27Å; S214-Y234 PolarHBondContact O-OH 3.5Å; K215-Y234 VanDerWaalsContact CA-CE1 3.43Å; K215-Y234 HydrophobicContact CB-CE1 4.43Å; K215-Y234 WeakPolarHBondContact O-CD1 3.41Å; K215-Y234 PolarHBondContact O-N 3.3Å; L217-Y234 HydrophobicContact CD1-CD1 3.34Å; L217-Y234 HydrophobicContact CD1-CE1 4.14Å; L217-Y234 HydrophobicContact CD1-CG 3.94Å; L217-Y234 HydrophobicContact CG-CD1 3.68Å; L217-Y234 HydrophobicContact CG-CE1 4.15Å; Y234-I241 HydrophobicContact CD2-CG2 4.23Å; Y234-I241 HydrophobicContact CG-CG2 4.37Å; Y234-V242 WeakPolarHBondContact CA-O 3.36Å
235K91.4Very high91.5Very high118 Ų11865.5 Ų65.551%0.51335%0.347SS..EExtended strand (participates in β ladder)trans-127.7130.2167.5-66.8-179.7-177.9175.50107.6V242K235-V242 PolarHBondContact N-O 3.29Å; K235-V242 PolarHBondContact O-N 2.96Å
236Q89.6Confident91.4Very high144 Ų14466.2 Ų66.267%0.67335%0.35SS*.EExtended strand (participates in β ladder)trans-85.5115.6173.4-173.5175.6-0.900108.5G238Q236-G238 WeakPolarHBondContact CG-O 3.46Å; Q236-G238 PolarHBondContact NE2-O 2.88Å
237E90.2Very high90.7Very high130 Ų13062.6 Ų62.661%0.60734%0.339SS*.EExtended strand (participates in β ladder)trans-111.692173.3-70.7-174.6176.300107.6S239 N240 V242E237-S239 PolarHBondContact O-N 3.22Å; E237-N240 PolarHBondContact N-O 3.39Å; E237-N240 PolarHBondContact O-N 2.96Å; E237-N240 VanDerWaalsContact O-N 3.15Å; E237-V242 HydrophobicContact CB-CG2 4.49Å; E237-V242 HydrophobicContact CG-CG2 4.44Å
238G88.5Confident90.4Very high64 Ų6462.6 Ų62.666%0.6634%0.339SS*.THydrogen-bonded Turntrans65-117.6-17400000112.2Q236Q236-G238 WeakPolarHBondContact CG-O 3.46Å; Q236-G238 PolarHBondContact NE2-O 2.88Å
239S88.7Confident90.2Very high117 Ų11766.6 Ų66.682%0.81835%0.352SS*.THydrogen-bonded Turntrans-87.7-12.8177.6-169.20000113.6E237E237-S239 PolarHBondContact O-N 3.22Å
240N90.2Very high90.2Very high117 Ų11766.8 Ų66.863%0.62635%0.353SS*.EExtended strand (participates in β ladder)trans-101.3145.3-174.7-67.8-22.4000110.7E237E237-N240 PolarHBondContact N-O 3.39Å; E237-N240 PolarHBondContact O-N 2.96Å; E237-N240 VanDerWaalsContact O-N 3.15Å
241I91.8Very high90.3Very high114 Ų11465.4 Ų65.459%0.58535%0.349SS*.EExtended strand (participates in β ladder)trans-104.5115.8175.2-59.4175000107.7Y234 L243Y234-I241 HydrophobicContact CD2-CG2 4.23Å; Y234-I241 HydrophobicContact CG-CG2 4.37Å; I241-L243 HydrophobicContact CG2-CD2 4.2Å
242V93.2Very high90.5Very high59 Ų5965.6 Ų65.636%0.35835%0.35SS..EExtended strand (participates in β ladder)trans-96.4120.6176.3-178.40000108.5Y234 K235 E237Y234-V242 WeakPolarHBondContact CA-O 3.36Å; K235-V242 PolarHBondContact N-O 3.29Å; K235-V242 PolarHBondContact O-N 2.96Å; E237-V242 HydrophobicContact CB-CG2 4.49Å; E237-V242 HydrophobicContact CG-CG2 4.44Å
243L92.3Very high90.6Very high95 Ų9566.2 Ų66.250%0.49735%0.352SS..EExtended strand (participates in β ladder)trans-95.4128.1176.2-61.9178.2000109.8L217 H232 I241L217-L243 HydrophobicContact CD1-CD2 4.06Å; H232-L243 HydrophobicContact CB-CB 4.48Å; H232-L243 HydrophobicContact CB-CD2 4.37Å; I241-L243 HydrophobicContact CG2-CD2 4.2Å
244T90.7Very high90.7Very high62 Ų6265.3 Ų65.338%0.3835%0.347SS..EExtended strand (participates in β ladder)trans-111.5127.8170.1-53.60000108.7H232 V233 M246H232-T244 CarbonylContact C-O 3.59Å; H232-T244 WeakPolarHBondContact CA-O 3.41Å; V233-T244 PolarHBondContact N-O 2.88Å; V233-T244 PolarHBondContact O-N 3.25Å; T244-M246 HydrophobicContact CG2-SD 4.24Å
245E89.1Confident90.8Very high53 Ų5366.3 Ų66.325%0.24835%0.351CS..EExtended strand (participates in β ladder)trans-82.4131.2178.1-164165.8176.500111.8H231 R249H231-E245 WeakPolarHBondContact O-CG 3.33Å; E245-R249 VanDerWaalsContact OE1-CD 3.31Å; E245-R249 WeakPolarHBondContact OE1-CD 3.29Å; E245-R249 WeakPolarHBondContact OE1-CG 3.4Å; E245-R249 IonicContact OE1-CZ 3.6Å; E245-R249 IonicContact OE1-NE 3.84Å; E245-R249 PolarHBondContact OE1-NE 2.9Å; E245-R249 IonicContact OE1-NH2 3.56Å; E245-R249 IonicContact OE2-CZ 3.32Å; E245-R249 IonicContact OE2-NE 2.65Å; E245-R249 PolarHBondContact OE2-NE 3.15Å; E245-R249 IonicContact OE2-NH2 2.72Å; E245-R249 PolarHBondContact OE2-NH2 2.92Å
246M84.7Confident91Very high28 Ų2861 Ų6114%0.13833%0.329CS..  trans-120.6-20.9-169-70.5-59.7-61.400114.4R170 I176 T178 M179 H231 V233 T244R170-M246 VanDerWaalsContact CD-O 3.31Å; R170-M246 WeakPolarHBondContact CD-O 2.93Å; R170-M246 PolarHBondContact NE-O 2.99Å; I176-M246 HydrophobicContact CG2-CE 4.45Å; T178-M246 WeakPolarHBondContact O-CE 3.49Å; M179-M246 WeakPolarHBondContact CE-O 3.47Å; H231-M246 PolarHBondContact O-N 3.4Å; V233-M246 HydrophobicContact CB-CG 4.04Å; V233-M246 HydrophobicContact CG2-CB 4.47Å; V233-M246 HydrophobicContact CG2-CG 3.61Å; T244-M246 HydrophobicContact CG2-SD 4.24Å
247G78.5Confident91.2Very high10 Ų1054.2 Ų54.210%0.10330%0.297CS..SBendtrans-123.3178.1-16700000114.6
248P88.5Confident91.3Very high0 Ų050.1 Ų50.10%028%0.277CS..  trans-62.3146.6176.527.7-34000110.3F100 M104 V168 F229 F250F100-P248 HydrophobicContact CE2-CB 4.22Å; M104-P248 HydrophobicContact SD-CG 4.48Å; V168-P248 VanDerWaalsContact O-CA 3.23Å; V168-P248 WeakPolarHBondContact O-CA 3.43Å; V168-P248 WeakPolarHBondContact O-CB 3.38Å; F229-P248 WeakPolarHBondContact CD1-O 3.33Å; F229-P248 WeakPolarHBondContact CE1-O 3.48Å; P248-F250 HydrophobicContact CB-CD1 4.47Å; P248-F250 HydrophobicContact CG-CE1 4.44Å
249R91.9Very high91.3Very high99 Ų9948.7 Ų48.737%0.37425%0.254SS..EExtended strand (participates in β ladder)trans-102.2136.4170.6-61.2175-175.7162.94.1107.5V167 V168 E245V167-R249 CarbonylContact C-O 3.59Å; V167-R249 VanDerWaalsContact CA-O 3.29Å; V167-R249 WeakPolarHBondContact CA-O 3.42Å; V168-R249 HydrophobicContact CB-CB 4.17Å; V168-R249 HydrophobicContact CG2-CB 4.48Å; V168-R249 PolarHBondContact N-O 3.25Å; V168-R249 PolarHBondContact O-N 3.34Å; V168-R249 VanDerWaalsContact O-N 3.1Å; E245-R249 VanDerWaalsContact OE1-CD 3.31Å; E245-R249 WeakPolarHBondContact OE1-CD 3.29Å; E245-R249 WeakPolarHBondContact OE1-CG 3.4Å; E245-R249 IonicContact OE1-CZ 3.6Å; E245-R249 IonicContact OE1-NE 3.84Å; E245-R249 PolarHBondContact OE1-NE 2.9Å; E245-R249 IonicContact OE1-NH2 3.56Å; E245-R249 IonicContact OE2-CZ 3.32Å; E245-R249 IonicContact OE2-NE 2.65Å; E245-R249 PolarHBondContact OE2-NE 3.15Å; E245-R249 IonicContact OE2-NH2 2.72Å; E245-R249 PolarHBondContact OE2-NH2 2.92Å
250F93.9Very high91.2Very high5 Ų543.4 Ų43.42%0.02222%0.218CC..EExtended strand (participates in β ladder)trans-157.5162.316653.3-90000109.7M104 L164 V167 F229 R230 P248 M252M104-F250 HydrophobicContact CE-CZ 4.45Å; M104-F250 HydrophobicContact SD-CE1 4.25Å; L164-F250 HydrophobicContact CD2-CD2 3.55Å; L164-F250 HydrophobicContact CD2-CE2 3.78Å; L164-F250 HydrophobicContact CD2-CG 4.33Å; V167-F250 HydrophobicContact CB-CB 4.31Å; V167-F250 HydrophobicContact CG1-CB 4.33Å; V167-F250 HydrophobicContact CG2-CB 3.83Å; F229-F250 HydrophobicContact CB-CD1 4.5Å; F229-F250 HydrophobicContact CB-CD2 3.97Å; F229-F250 HydrophobicContact CB-CE1 4.33Å; F229-F250 HydrophobicContact CB-CE2 3.81Å; F229-F250 HydrophobicContact CB-CG 4.33Å; F229-F250 HydrophobicContact CB-CZ 3.98Å; F229-F250 WeakPolarHBondContact CB-O 3.45Å; F229-F250 AromaticContact CD1-CD1 3.63Å; F229-F250 HydrophobicContact CD1-CD1 3.63Å; F229-F250 HydrophobicContact CD1-CD2 4.5Å; F229-F250 AromaticContact CD1-CE1 3.17Å; F229-F250 HydrophobicContact CD1-CE1 3.17Å; F229-F250 HydrophobicContact CD1-CE2 4.17Å; F229-F250 HydrophobicContact CD1-CG 4.27Å; F229-F250 AromaticContact CD1-CZ 3.49Å; F229-F250 HydrophobicContact CD1-CZ 3.49Å; F229-F250 VanDerWaalsContact CD1-CZ 3.49Å; F229-F250 HydrophobicContact CD2-CZ 4.29Å; F229-F250 HydrophobicContact CE1-CD1 4.3Å; F229-F250 AromaticContact CE1-CE1 3.58Å; F229-F250 HydrophobicContact CE1-CE1 3.58Å; F229-F250 HydrophobicContact CE1-CZ 4.03Å; F229-F250 HydrophobicContact CG-CD1 4.36Å; F229-F250 HydrophobicContact CG-CD2 4.46Å; F229-F250 AromaticContact CG-CE1 3.83Å; F229-F250 HydrophobicContact CG-CE1 3.83Å; F229-F250 AromaticContact CG-CE2 3.99Å; F229-F250 HydrophobicContact CG-CE2 3.99Å; F229-F250 AromaticContact CG-CZ 3.63Å; F229-F250 HydrophobicContact CG-CZ 3.63Å; F229-F250 HydrophobicContact CZ-CE1 4.49Å; F229-F250 PolarHBondContact N-O 3.05Å; R230-F250 PolarHBondContact NH1-O 3.15Å; P248-F250 HydrophobicContact CB-CD1 4.47Å; P248-F250 HydrophobicContact CG-CE1 4.44Å; F250-M252 HydrophobicContact CD2-CB 4.22Å; F250-M252 HydrophobicContact CD2-CE 4.23Å; F250-M252 HydrophobicContact CE2-CB 4.3Å; F250-M252 HydrophobicContact CE2-CE 3.43Å; F250-M252 VanDerWaalsContact CE2-CE 3.43Å; F250-M252 HydrophobicContact CE2-SD 4.21Å; F250-M252 HydrophobicContact CZ-CE 4.18Å
251E95.5Very high91.1Very high40 Ų4038 Ų3819%0.18719%0.19CC..EExtended strand (participates in β ladder)trans-106137.7162.8-78.2151.6-149.600107.1L164 S165 N166 I227L164-E251 CarbonylContact C-O 3.57Å; L164-E251 WeakPolarHBondContact CA-O 3.42Å; S165-E251 PolarHBondContact N-O 3.21Å; S165-E251 PolarHBondContact O-N 3.36Å; S165-E251 WeakPolarHBondContact OG-CB 3.26Å; S165-E251 PolarHBondContact OG-O 2.76Å; N166-E251 PolarHBondContact ND2-OE2 2.65Å; I227-E251 WeakPolarHBondContact O-CA 3.44Å
252M95.3Very high90.9Very high5 Ų533.5 Ų33.53%0.02517%0.167CC..EExtended strand (participates in β ladder)trans-120.6135.3174.371.1-174.7104.100109.4F162 T163 L164 F220 I227 F229 F250F162-M252 HydrophobicContact CB-CB 4.19Å; F162-M252 HydrophobicContact CD1-CG 4.17Å; F162-M252 HydrophobicContact CD1-SD 4.14Å; F162-M252 HydrophobicContact CE1-SD 4.47Å; F162-M252 HydrophobicContact CG-SD 4.42Å; T163-M252 CarbonylContact O-C 3.41Å; T163-M252 VanDerWaalsContact O-CA 3.31Å; T163-M252 WeakPolarHBondContact O-CA 3.26Å; L164-M252 HydrophobicContact CD2-CB 3.74Å; F220-M252 HydrophobicContact CD1-CE 3.84Å; F220-M252 HydrophobicContact CE1-CE 3.64Å; I227-M252 HydrophobicContact CB-CG 3.66Å; I227-M252 WeakPolarHBondContact CB-O 3.35Å; I227-M252 HydrophobicContact CD1-CG 4.24Å; I227-M252 HydrophobicContact CG1-CG 4.46Å; I227-M252 HydrophobicContact CG2-CE 4.07Å; I227-M252 HydrophobicContact CG2-CG 4.12Å; I227-M252 PolarHBondContact N-O 2.85Å; I227-M252 PolarHBondContact O-N 2.93Å; F229-M252 HydrophobicContact CB-CE 3.81Å; F229-M252 HydrophobicContact CD2-CE 4.36Å; F229-M252 HydrophobicContact CG-CE 4.35Å; F250-M252 HydrophobicContact CD2-CB 4.22Å; F250-M252 HydrophobicContact CD2-CE 4.23Å; F250-M252 HydrophobicContact CE2-CB 4.3Å; F250-M252 HydrophobicContact CE2-CE 3.43Å; F250-M252 VanDerWaalsContact CE2-CE 3.43Å; F250-M252 HydrophobicContact CE2-SD 4.21Å; F250-M252 HydrophobicContact CZ-CE 4.18Å
253K94.6Very high90.5Very high50 Ų5032.3 Ų32.322%0.21716%0.159CC..EExtended strand (participates in β ladder)trans-114.7117.4175.3-177170.9-170.8155.70109.3F162 T163 Y226F162-K253 CarbonylContact C-O 3.57Å; F162-K253 VanDerWaalsContact CA-O 3.32Å; F162-K253 WeakPolarHBondContact CA-O 3.38Å; T163-K253 PolarHBondContact N-O 2.88Å; T163-K253 PolarHBondContact O-N 3.29Å; T163-K253 PolarHBondContact OG1-O 3.07Å; Y226-K253 HydrophobicContact CD1-CB 4.03Å; Y226-K253 HydrophobicContact CD1-CD 4.29Å; Y226-K253 HydrophobicContact CE1-CB 4.11Å; Y226-K253 HydrophobicContact CE1-CD 3.73Å; Y226-K253 HydrophobicContact CE1-CG 4.46Å
254P94.9Very high90.1Very high5 Ų529.2 Ų29.23%0.03214%0.144CC..EExtended strand (participates in β ladder)trans-67.3137.8174.228.2-32.8000109.3F161 F162 I199 I227 W272 L287F161-P254 WeakPolarHBondContact O-CA 3.26Å; F162-P254 HydrophobicContact CD1-CB 3.73Å; F162-P254 HydrophobicContact CE1-CB 3.76Å; I199-P254 HydrophobicContact CD1-CB 3.8Å; I199-P254 HydrophobicContact CD1-CG 3.75Å; I227-P254 HydrophobicContact CD1-CG 4.48Å; P254-W272 HydrophobicContact CB-CZ3 4.05Å; P254-W272 HydrophobicContact CG-CZ3 4.49Å; P254-W272 WeakPolarHBondContact O-CH2 3.41Å; P254-W272 WeakPolarHBondContact O-CZ3 3.36Å; P254-L287 HydrophobicContact CG-CD1 4.07Å; P254-L287 HydrophobicContact CG-CD2 4.11Å; P254-L287 HydrophobicContact CG-CG 4.5Å
255Y94.2Very high89.8Confident77 Ų7728 Ų2830%0.30214%0.135SC..EExtended strand (participates in β ladder)trans-127.5-17.7175.769.7-93.2000114.2F161 T163 I273 L274F161-Y255 HydrophobicContact CB-CD1 4.01Å; F161-Y255 HydrophobicContact CB-CD2 4.27Å; F161-Y255 HydrophobicContact CB-CE1 3.39Å; F161-Y255 HydrophobicContact CB-CE2 3.66Å; F161-Y255 HydrophobicContact CB-CG 4.43Å; F161-Y255 WeakPolarHBondContact CB-OH 3.22Å; F161-Y255 WeakPolarHBondContact CD1-OH 3.41Å; F161-Y255 HydrophobicContact CG-CE2 4.21Å; F161-Y255 AromaticContact CG-CZ 3.92Å; F161-Y255 WeakPolarHBondContact O-CD1 3.28Å; F161-Y255 PolarHBondContact O-N 2.86Å; T163-Y255 HydrophobicContact CG2-CD1 3.68Å; T163-Y255 HydrophobicContact CG2-CE1 3.86Å; Y255-I273 WeakPolarHBondContact O-CA 3.37Å; Y255-L274 WeakPolarHBondContact O-CB 3.36Å; Y255-L274 PolarHBondContact O-N 3.44Å
256C94.1Very high89.5Confident8 Ų833.5 Ų33.55%0.05417%0.166CC..EExtended strand (participates in β ladder)trans-155.3140176.7-173.60000111.2F161 W272F161-C256 HydrophobicContact CB-CB 4.33Å; F161-C256 HydrophobicContact CD2-CB 3.9Å; F161-C256 HydrophobicContact CG-CB 4.47Å; F161-C256 PolarHBondContact N-O 3.4Å; C256-W272 CarbonylContact C-O 3.3Å; C256-W272 WeakPolarHBondContact CA-O 3.2Å
257I93.8Very high89.3Confident1 Ų136.1 Ų36.11%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-124.7122.8167.4-56.3178.3000107.3P158 T159 A160 L195 R198 I199 E271 W272P158-I257 HydrophobicContact CB-CG2 4.26Å; T159-I257 WeakPolarHBondContact O-CA 3.49Å; A160-I257 HydrophobicContact CB-CG1 4.43Å; L195-I257 HydrophobicContact CD1-CD1 3.71Å; R198-I257 HydrophobicContact CG-CD1 4.4Å; I199-I257 HydrophobicContact CD1-CD1 4.15Å; I199-I257 HydrophobicContact CG1-CD1 3.75Å; I257-E271 HydrophobicContact CB-CB 4.33Å; I257-E271 HydrophobicContact CG2-CB 4.09Å; I257-E271 PolarHBondContact O-N 2.85Å; I257-W272 HydrophobicContact CB-CB 4.44Å; I257-W272 HydrophobicContact CG1-CE3 4.34Å; I257-W272 PolarHBondContact N-O 3.19Å; I257-W272 PolarHBondContact O-N 3.01Å
258K93Very high89.6Confident44 Ų4436.1 Ų36.119%0.19119%0.191CC..EExtended strand (participates in β ladder)trans-116.5140.6175-68.1-166.1170.1-173.50110.5P158 T159 F161 G260 L265 A268P158-K258 CarbonylContact C-O 3.49Å; P158-K258 VanDerWaalsContact CA-O 3.23Å; P158-K258 WeakPolarHBondContact CA-O 3.32Å; T159-K258 PolarHBondContact N-O 3.33Å; T159-K258 PolarHBondContact O-N 3.08Å; F161-K258 HydrophobicContact CE2-CG 4.48Å; K258-G260 VanDerWaalsContact C-N 3.27Å; K258-G260 PolarHBondContact O-N 2.99Å; K258-G260 VanDerWaalsContact O-N 3.07Å; K258-L265 HydrophobicContact CD-CD2 4.06Å; K258-L265 PolarHBondContact NZ-O 2.85Å; K258-A268 HydrophobicContact CB-CB 4.33Å
259L88.2Confident89.6Confident34 Ų3442 Ų4218%0.17822%0.219CC..EExtended strand (participates in β ladder)trans-87.471.3176.5-64.5172.7000109.7P158 E269 E271P158-L259 HydrophobicContact CB-CD2 4.36Å; L259-E269 PolarHBondContact N-O 3.15Å; L259-E271 HydrophobicContact CD1-CB 4.18Å; L259-E271 HydrophobicContact CD2-CB 4.46Å; L259-E271 VanDerWaalsContact CD2-OE2 3.28Å; L259-E271 WeakPolarHBondContact CD2-OE2 3.39Å; L259-E271 HydrophobicContact CG-CB 4.01Å
260G87.3Confident89.6Confident6 Ų640.3 Ų40.36%0.06222%0.219CC..SBendtrans173.1169.2179.400000110.9G157 T159 K258G157-G260 CarbonylContact O-C 3.57Å; T159-G260 WeakPolarHBondContact CB-O 3.5Å; T159-G260 PolarHBondContact N-O 3.16Å; T159-G260 PolarHBondContact OG1-O 3.02Å; K258-G260 VanDerWaalsContact C-N 3.27Å; K258-G260 PolarHBondContact O-N 2.99Å; K258-G260 VanDerWaalsContact O-N 3.07Å
261T87.9Confident89.4Confident4 Ų443.5 Ų43.53%0.02523%0.234CC..  trans-90.7163.3-174.246.50000111.8R129 L154 P155 D263 T264 L265R129-T261 PolarHBondContact NH2-OG1 3.01Å; L154-T261 HydrophobicContact CD2-CG2 3.63Å; P155-T261 WeakPolarHBondContact O-CG2 3.29Å; T261-D263 VanDerWaalsContact CB-OD1 3.22Å; T261-D263 WeakPolarHBondContact CB-OD1 3.39Å; T261-D263 PolarHBondContact O-N 3.11Å; T261-D263 PolarHBondContact OG1-OD1 3.41Å; T261-T264 PolarHBondContact O-N 2.92Å; T261-T264 PolarHBondContact O-OG1 2.93Å; T261-T264 PolarHBondContact OG1-OG1 3.31Å; T261-L265 PolarHBondContact O-N 2.69Å
262V87.9Confident89.2Confident19 Ų1943.3 Ų43.312%0.11523%0.232CC..G310 helixtrans-56-27.3-175.6-178.30000113.9M121 V125 F136 T150 C152 T159 L265M121-V262 HydrophobicContact SD-CG1 4.49Å; V125-V262 HydrophobicContact CG2-CB 4.49Å; F136-V262 HydrophobicContact CD1-CG2 4.33Å; T150-V262 HydrophobicContact CG2-CG2 4.36Å; C152-V262 HydrophobicContact CB-CG2 3.65Å; T159-V262 HydrophobicContact CG2-CG2 4.18Å; V262-L265 HydrophobicContact CG1-CD1 4.19Å; V262-L265 WeakPolarHBondContact O-CD1 3.14Å; V262-L265 WeakPolarHBondContact O-CG 3.46Å
263D85.2Confident89.1Confident33 Ų3346.7 Ų46.718%0.17625%0.249CC..G310 helixtrans-75-19.7177.463-24000114.3K122 V125 R129 T261K122-D263 HydrophobicContact CG-CB 4.17Å; V125-D263 HydrophobicContact CB-CB 4.39Å; V125-D263 HydrophobicContact CG1-CB 4.44Å; V125-D263 HydrophobicContact CG2-CB 4.44Å; R129-D263 IonicContact CZ-OD2 2.66Å; R129-D263 IonicContact NH1-OD2 3.42Å; R129-D263 PolarHBondContact NH1-OD2 3.42Å; R129-D263 IonicContact NH2-OD1 3.62Å; R129-D263 PolarHBondContact NH2-OD1 2.81Å; R129-D263 VanDerWaalsContact NH2-OD1 3.13Å; R129-D263 IonicContact NH2-OD2 3.25Å; R129-D263 PolarHBondContact NH2-OD2 3.18Å; T261-D263 VanDerWaalsContact CB-OD1 3.22Å; T261-D263 WeakPolarHBondContact CB-OD1 3.39Å; T261-D263 PolarHBondContact O-N 3.11Å; T261-D263 PolarHBondContact OG1-OD1 3.41Å
264T83.7Confident89Confident31 Ų3146.1 Ų46.119%0.1925%0.249CC..G310 helixtrans-124.921.3-172.555.50000113.4T261 D266 A267 A268T261-T264 PolarHBondContact O-N 2.92Å; T261-T264 PolarHBondContact O-OG1 2.93Å; T261-T264 PolarHBondContact OG1-OG1 3.31Å; T264-D266 PolarHBondContact O-N 2.89Å; T264-D266 VanDerWaalsContact O-N 3.08Å; T264-A267 PolarHBondContact O-N 3.41Å; T264-A268 PolarHBondContact O-N 2.85Å
265L83.5Confident88.8Confident35 Ų3552.8 Ų52.818%0.18327%0.273CS..THydrogen-bonded Turntrans-55.5-30.5-174.5-68172.2000114.6T159 F161 K258 T261 V262T159-L265 HydrophobicContact CG2-CD2 4.31Å; F161-L265 HydrophobicContact CE2-CD2 4.1Å; F161-L265 HydrophobicContact CZ-CD1 3.88Å; F161-L265 HydrophobicContact CZ-CD2 3.73Å; F161-L265 HydrophobicContact CZ-CG 4.47Å; K258-L265 HydrophobicContact CD-CD2 4.06Å; K258-L265 PolarHBondContact NZ-O 2.85Å; T261-L265 PolarHBondContact O-N 2.69Å; V262-L265 HydrophobicContact CG1-CD1 4.19Å; V262-L265 WeakPolarHBondContact O-CD1 3.14Å; V262-L265 WeakPolarHBondContact O-CG 3.46Å
266D82Confident88.5Confident170 Ų17052.6 Ų52.691%0.90928%0.281SS*.THydrogen-bonded Turntrans-72.8-31.9-179-60.1-28.3000112.3T264T264-D266 PolarHBondContact O-N 2.89Å; T264-D266 VanDerWaalsContact O-N 3.08Å
267A82.5Confident88.3Confident82 Ų8262.8 Ų62.868%0.67832%0.32SS*.THydrogen-bonded Turntrans-99.1-5.3-179.900000112.9T264T264-A267 PolarHBondContact O-N 3.41Å
268A84.8Confident88.1Confident11 Ų1167.2 Ų67.29%0.09134%0.342CS..SBendtrans-78.5136.5-178.100000111.2K258 T264K258-A268 HydrophobicContact CB-CB 4.33Å; T264-A268 PolarHBondContact O-N 2.85Å
269E87.4Confident87.8Confident124 Ų12472.9 Ų72.958%0.57937%0.374SS*.EExtended strand (participates in β ladder)trans-65.1135.4173.1-171-178.5-170.900109.7K16 L259K16-E269 IonicContact NZ-OE2 3.54Å; K16-E269 PolarHBondContact NZ-OE2 3.3Å; L259-E269 PolarHBondContact N-O 3.15Å
270T91.7Very high87.7Confident63 Ų6373.5 Ų73.539%0.38738%0.381SS..EExtended strand (participates in β ladder)trans-88.7114.5177.6-57.80000108.9I273T270-I273 HydrophobicContact CG2-CB 3.99Å; T270-I273 HydrophobicContact CG2-CG2 4.36Å
271E89.2Confident87.4Confident72 Ų7274 Ų7434%0.33638%0.383SS..EExtended strand (participates in β ladder)trans-73.1-45.8176.7-175.5178.2168.400110.4R198 I257 L259R198-E271 IonicContact CZ-OE2 3.66Å; R198-E271 IonicContact NE-OE1 2.86Å; R198-E271 PolarHBondContact NE-OE1 2.85Å; R198-E271 IonicContact NE-OE2 3.95Å; R198-E271 PolarHBondContact NE-OE2 3.36Å; R198-E271 IonicContact NH2-OE2 3.87Å; I257-E271 HydrophobicContact CB-CB 4.33Å; I257-E271 HydrophobicContact CG2-CB 4.09Å; I257-E271 PolarHBondContact O-N 2.85Å; L259-E271 HydrophobicContact CD1-CB 4.18Å; L259-E271 HydrophobicContact CD2-CB 4.46Å; L259-E271 VanDerWaalsContact CD2-OE2 3.28Å; L259-E271 WeakPolarHBondContact CD2-OE2 3.39Å; L259-E271 HydrophobicContact CG-CB 4.01Å
272W92.5Very high87Confident36 Ų3685.3 Ų85.314%0.13643%0.426CS..EExtended strand (participates in β ladder)trans-150145.6179.6179.683.9000111.3L195 P254 C256 I257 L274 F286L195-W272 HydrophobicContact CD1-CB 3.78Å; L195-W272 HydrophobicContact CD1-CD2 4.08Å; L195-W272 HydrophobicContact CD1-CG 3.73Å; L195-W272 HydrophobicContact CD2-CD2 3.66Å; L195-W272 VanDerWaalsContact CD2-CE2 3.47Å; L195-W272 HydrophobicContact CD2-CE3 4.25Å; L195-W272 HydrophobicContact CD2-CG 3.91Å; L195-W272 HydrophobicContact CD2-CH2 4.43Å; L195-W272 HydrophobicContact CD2-CZ2 3.9Å; L195-W272 HydrophobicContact CG-CG 4.5Å; P254-W272 HydrophobicContact CB-CZ3 4.05Å; P254-W272 HydrophobicContact CG-CZ3 4.49Å; P254-W272 WeakPolarHBondContact O-CH2 3.41Å; P254-W272 WeakPolarHBondContact O-CZ3 3.36Å; C256-W272 CarbonylContact C-O 3.3Å; C256-W272 WeakPolarHBondContact CA-O 3.2Å; I257-W272 HydrophobicContact CB-CB 4.44Å; I257-W272 HydrophobicContact CG1-CE3 4.34Å; I257-W272 PolarHBondContact N-O 3.19Å; I257-W272 PolarHBondContact O-N 3.01Å; W272-L274 HydrophobicContact CH2-CB 3.91Å; W272-L274 HydrophobicContact CH2-CD1 4.43Å; W272-L274 HydrophobicContact CZ2-CB 4.29Å; W272-L274 HydrophobicContact CZ2-CD1 4.39Å; W272-L274 HydrophobicContact CZ3-CB 4.46Å; W272-F286 HydrophobicContact CZ2-CB 4.12Å; W272-F286 HydrophobicContact CZ2-CD1 4.04Å; W272-F286 HydrophobicContact CZ2-CD2 4.11Å; W272-F286 HydrophobicContact CZ2-CE1 4.48Å; W272-F286 AromaticContact CZ2-CG 3.83Å; W272-F286 HydrophobicContact CZ2-CG 3.83Å; W272-F286 AromaticContact NE1-CD1 3.69Å
273I93.3Very high86.8Confident75 Ų7593.5 Ų93.539%0.38546%0.459SS..EExtended strand (participates in β ladder)trans-144.7135.3175-169.5167.8000109.8Y255 T270 R275Y255-I273 WeakPolarHBondContact O-CA 3.37Å; T270-I273 HydrophobicContact CG2-CB 3.99Å; T270-I273 HydrophobicContact CG2-CG2 4.36Å; I273-R275 HydrophobicContact CG2-CG 4.12Å; I273-R275 PolarHBondContact O-N 3.28Å
274L91.5Very high86.7Confident39 Ų3999 Ų9920%0.20448%0.478CS..  trans-70.8120.4172.6-178.865.9000109Y255 W272 P276 T281 F286Y255-L274 WeakPolarHBondContact O-CB 3.36Å; Y255-L274 PolarHBondContact O-N 3.44Å; W272-L274 HydrophobicContact CH2-CB 3.91Å; W272-L274 HydrophobicContact CH2-CD1 4.43Å; W272-L274 HydrophobicContact CZ2-CB 4.29Å; W272-L274 HydrophobicContact CZ2-CD1 4.39Å; W272-L274 HydrophobicContact CZ3-CB 4.46Å; L274-P276 WeakPolarHBondContact O-CD 3.43Å; L274-T281 HydrophobicContact CD1-CG2 4.2Å; L274-F286 HydrophobicContact CD1-CD2 4.35Å; L274-F286 HydrophobicContact CD1-CE2 3.86Å
275R90.9Very high86.7Confident145 Ų145101.9 Ų101.955%0.54749%0.492SS..  trans-108.386.7178.4-63.9-176.4-177.9-108.52.9109.6I273 Y277 M278 T281I273-R275 HydrophobicContact CG2-CG 4.12Å; I273-R275 PolarHBondContact O-N 3.28Å; R275-Y277 VanDerWaalsContact C-N 3.26Å; R275-Y277 PolarHBondContact O-N 3.48Å; R275-M278 HydrophobicContact CB-CE 4.42Å; R275-M278 HydrophobicContact CB-CG 4.2Å; R275-M278 HydrophobicContact CB-SD 3.87Å; R275-M278 HydrophobicContact CG-SD 4.48Å; R275-M278 PolarHBondContact O-N 3.01Å; R275-T281 WeakPolarHBondContact O-CB 3.2Å; R275-T281 WeakPolarHBondContact O-CG2 3.39Å; R275-T281 PolarHBondContact O-OG1 3.11Å
276P88.1Confident86.8Confident73 Ų73102.4 Ų102.447%0.47449%0.492SS..THydrogen-bonded Turntrans-66.8-25.8-17225.9-34.9000113.6L274 M278L274-P276 WeakPolarHBondContact O-CD 3.43Å; P276-M278 VanDerWaalsContact C-N 3.34Å; P276-M278 PolarHBondContact O-N 2.85Å
277Y89.5Confident86.9Confident222 Ų22294.3 Ų94.387%0.87145%0.449SS*.THydrogen-bonded Turntrans-87.57-174-53.4-67.2000114.7R275R275-Y277 VanDerWaalsContact C-N 3.26Å; R275-Y277 PolarHBondContact O-N 3.48Å
278M90.3Very high86.9Confident94 Ų9491.8 Ų91.846%0.46343%0.426SS..SBendtrans-87.8135.8171.3-67.5174.7165.200110.2R275 P276 S280 T281R275-M278 HydrophobicContact CB-CE 4.42Å; R275-M278 HydrophobicContact CB-CG 4.2Å; R275-M278 HydrophobicContact CB-SD 3.87Å; R275-M278 HydrophobicContact CG-SD 4.48Å; R275-M278 PolarHBondContact O-N 3.01Å; P276-M278 VanDerWaalsContact C-N 3.34Å; P276-M278 PolarHBondContact O-N 2.85Å; M278-S280 PolarHBondContact O-N 3.1Å; M278-S280 VanDerWaalsContact O-N 3.13Å; M278-T281 WeakPolarHBondContact CB-OG1 3.23Å; M278-T281 WeakPolarHBondContact O-CB 3.47Å; M278-T281 PolarHBondContact O-N 3.4Å; M278-T281 PolarHBondContact O-OG1 3.07Å
279N85.9Confident86.3Confident163 Ų16393.7 Ų93.787%0.87244%0.442SS*.THydrogen-bonded Turntrans-56.2-33.6-176.5-68.2-15.9000113.7
280S87Confident85.1Confident46 Ų4691.7 Ų91.732%0.32245%0.447SS..THydrogen-bonded Turntrans-82.9-14.4-179.256.60000114.1M278 R282 K283 R284M278-S280 PolarHBondContact O-N 3.1Å; M278-S280 VanDerWaalsContact O-N 3.13Å; S280-R282 VanDerWaalsContact C-N 3.32Å; S280-R282 PolarHBondContact O-N 3.38Å; S280-K283 PolarHBondContact O-N 3.02Å; S280-K283 VanDerWaalsContact O-N 3.08Å; S280-R284 PolarHBondContact O-N 3.04Å
281T81.4Confident83.1Confident18 Ų1893.1 Ų93.111%0.1147%0.465CS..G310 helixtrans-60.8-39.9-172.6-64.30000112.4L274 R275 M278 K283 R284 F286L274-T281 HydrophobicContact CD1-CG2 4.2Å; R275-T281 WeakPolarHBondContact O-CB 3.2Å; R275-T281 WeakPolarHBondContact O-CG2 3.39Å; R275-T281 PolarHBondContact O-OG1 3.11Å; M278-T281 WeakPolarHBondContact CB-OG1 3.23Å; M278-T281 WeakPolarHBondContact O-CB 3.47Å; M278-T281 PolarHBondContact O-N 3.4Å; M278-T281 PolarHBondContact O-OG1 3.07Å; T281-K283 PolarHBondContact O-N 3.33Å; T281-K283 VanDerWaalsContact O-N 3.16Å; T281-R284 PolarHBondContact O-N 2.9Å; T281-F286 HydrophobicContact CG2-CE2 4.07Å; T281-F286 HydrophobicContact CG2-CZ 4.24Å
282R79.6Confident80.7Confident241 Ų24197.7 Ų97.791%0.90949%0.492SS*.G310 helixtrans-64.5-20.2-179.7-65.7-174.1-179.1178.6-0.4113.8S280S280-R282 VanDerWaalsContact C-N 3.32Å; S280-R282 PolarHBondContact O-N 3.38Å
283K82.9Confident77.6Confident190 Ų190104.8 Ų104.883%0.82655%0.547SS*.G310 helixtrans-97.7-14.7-179.1-61.6-174.9178.8-175.10112.9S280 T281S280-K283 PolarHBondContact O-N 3.02Å; S280-K283 VanDerWaalsContact O-N 3.08Å; T281-K283 PolarHBondContact O-N 3.33Å; T281-K283 VanDerWaalsContact O-N 3.16Å
284R82.5Confident76.9Confident149 Ų149106.3 Ų106.356%0.56256%0.555SS**  trans-92.6128.8-175.9-73.2-179.3177-174.4-1.1109.3S280 T281 F286S280-R284 PolarHBondContact O-N 3.04Å; T281-R284 PolarHBondContact O-N 2.9Å; R284-F286 HydrophobicContact CB-CE2 4.48Å; R284-F286 HydrophobicContact CB-CZ 4.29Å
285L84.8Confident76.1Confident92 Ų92109.8 Ų109.848%0.48257%0.574SS.*  trans-92.1125.2165.3-64169.5000107.9D225 S288D225-L285 WeakPolarHBondContact OD2-CA 3.24Å; L285-S288 WeakPolarHBondContact CB-O 3.23Å
286F85.2Confident75.3Confident45 Ų45107.9 Ų107.920%0.19758%0.575CS.*SBendtrans-93.9-32.9-176.7-66.9-77.2000112.5S193 L195 D225 W272 L274 T281 R284S193-F286 WeakPolarHBondContact CB-O 3.42Å; S193-F286 PolarHBondContact OG-O 2.62Å; L195-F286 HydrophobicContact CD2-CB 3.96Å; D225-F286 VanDerWaalsContact CG-N 3.28Å; D225-F286 PolarHBondContact OD1-N 3.12Å; D225-F286 WeakPolarHBondContact OD2-CD2 3.37Å; D225-F286 PolarHBondContact OD2-N 3.44Å; W272-F286 HydrophobicContact CZ2-CB 4.12Å; W272-F286 HydrophobicContact CZ2-CD1 4.04Å; W272-F286 HydrophobicContact CZ2-CD2 4.11Å; W272-F286 HydrophobicContact CZ2-CE1 4.48Å; W272-F286 AromaticContact CZ2-CG 3.83Å; W272-F286 HydrophobicContact CZ2-CG 3.83Å; W272-F286 AromaticContact NE1-CD1 3.69Å; L274-F286 HydrophobicContact CD1-CD2 4.35Å; L274-F286 HydrophobicContact CD1-CE2 3.86Å; T281-F286 HydrophobicContact CG2-CE2 4.07Å; T281-F286 HydrophobicContact CG2-CZ 4.24Å; R284-F286 HydrophobicContact CB-CE2 4.48Å; R284-F286 HydrophobicContact CB-CZ 4.29Å
287L83.6Confident74.5Confident1 Ų1109.9 Ų109.91%0.00558%0.581CS.*SBendtrans-92.9-38.5-174.5-59.7-175.3000112.5T192 S193 L195 I199 V222 D225 I227 P254T192-L287 PolarHBondContact N-O 3.2Å; S193-L287 WeakPolarHBondContact CB-O 3.46Å; S193-L287 PolarHBondContact N-O 3.28Å; S193-L287 VanDerWaalsContact N-O 3.11Å; S193-L287 PolarHBondContact OG-O 3.43Å; L195-L287 HydrophobicContact CD2-CD2 4.37Å; I199-L287 HydrophobicContact CD1-CD2 3.38Å; V222-L287 HydrophobicContact CG1-CB 3.75Å; V222-L287 HydrophobicContact CG1-CD1 4.1Å; V222-L287 HydrophobicContact CG2-CB 4.35Å; V222-L287 HydrophobicContact CG2-CD1 4.23Å; D225-L287 HydrophobicContact CB-CG 4.49Å; D225-L287 PolarHBondContact OD1-N 3.48Å; I227-L287 HydrophobicContact CD1-CD1 3.95Å; I227-L287 HydrophobicContact CG1-CD1 3.65Å; P254-L287 HydrophobicContact CG-CD1 4.07Å; P254-L287 HydrophobicContact CG-CD2 4.11Å; P254-L287 HydrophobicContact CG-CG 4.5Å
288S82.8Confident73.6Confident28 Ų28102.9 Ų102.920%0.19656%0.563CS.*SBendtrans-97.6120.5171.551.30000109.9T192 L285T192-S288 WeakPolarHBondContact OG1-CA 3.38Å; L285-S288 WeakPolarHBondContact CB-O 3.23Å
289A73.1Confident72.5Confident51 Ų51103.5 Ų103.542%0.42157%0.57SS.*PPolyproline II helixtrans-69.7133.1157.200000107.4T192 A291T192-A289 PolarHBondContact OG1-N 2.86Å; T192-A289 PolarHBondContact OG1-O 2.51Å; A289-A291 PolarHBondContact O-N 3.32Å; A289-A291 VanDerWaalsContact O-N 3.12Å
290A60.8Low71.5Confident82 Ų8299.3 Ų99.368%0.67855%0.548SS*.PPolyproline II helixtrans-53.4121.7161.300000105.9D292A290-D292 PolarHBondContact O-N 2.69Å
291A51.1Low70.3Confident93 Ų93103.4 Ų103.477%0.76957%0.566SS**  trans-60.2112.9173.800000105.9A289 S293A289-A291 PolarHBondContact O-N 3.32Å; A289-A291 VanDerWaalsContact O-N 3.12Å; A291-S293 PolarHBondContact O-N 3.42Å
292D37.4Very low69.4Low168 Ų168110.5 Ų110.590%0.89860%0.604SS**  trans-58.1104.9170.5-69.5-36.7000106.5A290A290-D292 PolarHBondContact O-N 2.69Å
293S28.8Very low68.4Low186 Ų18698.6 Ų98.6100%1.30158%0.576SS**  trans-82.90162.755.60000109.6A291A291-S293 PolarHBondContact O-N 3.42Å

Retrieved 293 of 293 residues in 507 ms (Link to these results)

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