A0A087X7C9_POEFO Loading...

UTP--glucose-1-phosphate uridylyltransferase

UTP--glucose-1-phosphate uridylyltransferase catalyzing the conversion of glucose-1-phosphate into UDP-glucose, a crucial precursor for the production of glycogen.

AlphaFold DB , UniProt , Accession A0A087X7C9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 492 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
1M60.6Low76.8Confident199 Ų199113.4 Ų113.498%0.9856%0.556SS**  0-48.50-74.3-141.6-89.100113.5F4 Q5M1-F4 PolarHBondContact O-N 3.39Å; M1-Q5 WeakPolarHBondContact O-CG 3.43Å; M1-Q5 PolarHBondContact O-N 2.72Å; M1-Q5 VanDerWaalsContact O-N 3.1Å
2A67.4Low77.7Confident74 Ų74107.4 Ų107.461%0.61253%0.528SS*.Hα-helixtrans-61.8-45-179.600000114.4F4 Q5 E6A2-F4 PolarHBondContact O-N 3.39Å; A2-Q5 PolarHBondContact O-N 2.73Å; A2-E6 PolarHBondContact O-N 3.42Å
3Q70.7Confident78.7Confident169 Ų169102.5 Ų102.579%0.7950%0.503SS*.Hα-helixtrans-63.6-37.6176.8-77.5174.2-2100113.5E6 M7Q3-E6 PolarHBondContact O-N 2.93Å; Q3-M7 PolarHBondContact O-N 2.88Å
4F73.6Confident79.5Confident141 Ų141100.8 Ų100.862%0.61851%0.507SS*.Hα-helixtrans-67-41.4176.7-178.4-96.8000111.8M1 A2 E6 M7 M8M1-F4 PolarHBondContact O-N 3.39Å; A2-F4 PolarHBondContact O-N 3.39Å; F4-E6 VanDerWaalsContact C-N 3.3Å; F4-E6 PolarHBondContact O-N 3.27Å; F4-M7 HydrophobicContact CD2-CE 4.48Å; F4-M7 PolarHBondContact O-N 3.47Å; F4-M8 WeakPolarHBondContact O-CB 3.2Å; F4-M8 PolarHBondContact O-N 3.04Å
5Q72.4Confident80.3Confident87 Ų8797.5 Ų97.541%0.40750%0.497SS..Hα-helixtrans-64.2-35.7174.4-73.2179.3-900112.3M1 A2 M8 R9M1-Q5 WeakPolarHBondContact O-CG 3.43Å; M1-Q5 PolarHBondContact O-N 2.72Å; M1-Q5 VanDerWaalsContact O-N 3.1Å; A2-Q5 PolarHBondContact O-N 2.73Å; Q5-M8 PolarHBondContact O-N 3.48Å; Q5-R9 WeakPolarHBondContact O-CD 3.22Å; Q5-R9 VanDerWaalsContact O-CG 3.29Å; Q5-R9 WeakPolarHBondContact O-CG 3.38Å; Q5-R9 PolarHBondContact O-N 3.4Å; Q5-R9 VanDerWaalsContact O-N 3.09Å
6E79.1Confident80.9Confident78 Ų7891.4 Ų91.436%0.36447%0.466SS..Hα-helixtrans-70.6-43.3178.1-163.960.8-164.400112.3A2 Q3 F4 M8 R9 Q10A2-E6 PolarHBondContact O-N 3.42Å; Q3-E6 PolarHBondContact O-N 2.93Å; F4-E6 VanDerWaalsContact C-N 3.3Å; F4-E6 PolarHBondContact O-N 3.27Å; E6-M8 VanDerWaalsContact C-N 3.31Å; E6-M8 PolarHBondContact O-N 3.14Å; E6-R9 WeakPolarHBondContact O-CB 3.27Å; E6-R9 PolarHBondContact O-N 3.15Å; E6-R9 WeakPolarHBondContact OE2-CD 3.47Å; E6-R9 IonicContact OE2-CZ 2.88Å; E6-R9 IonicContact OE2-NH1 3.62Å; E6-R9 PolarHBondContact OE2-NH1 2.87Å; E6-Q10 WeakPolarHBondContact O-CG 3.26Å; E6-Q10 PolarHBondContact O-N 3.49Å
7M80.3Confident81.5Confident114 Ų11489.2 Ų89.256%0.56246%0.455SS*.Hα-helixtrans-58.5-42.7171.1-82.1-171.5-61.100112.2Q3 F4 R9 Q10 Q11Q3-M7 PolarHBondContact O-N 2.88Å; F4-M7 HydrophobicContact CD2-CE 4.48Å; F4-M7 PolarHBondContact O-N 3.47Å; M7-R9 VanDerWaalsContact C-N 3.3Å; M7-R9 PolarHBondContact O-N 3.43Å; M7-Q10 PolarHBondContact O-N 3.12Å; M7-Q11 WeakPolarHBondContact O-CB 3.31Å; M7-Q11 PolarHBondContact O-N 2.66Å
8M82Confident82Confident104 Ų10486.6 Ų86.651%0.51245%0.45SS..Hα-helixtrans-62.5-38.3178.7-173.4177.5-177.800111.9F4 Q5 E6 Q11 L12F4-M8 WeakPolarHBondContact O-CB 3.2Å; F4-M8 PolarHBondContact O-N 3.04Å; Q5-M8 PolarHBondContact O-N 3.48Å; E6-M8 VanDerWaalsContact C-N 3.31Å; E6-M8 PolarHBondContact O-N 3.14Å; M8-Q11 PolarHBondContact O-N 2.85Å; M8-L12 WeakPolarHBondContact O-CG 3.4Å; M8-L12 PolarHBondContact O-N 3.39Å
9R84.4Confident82.4Confident41 Ų4185.5 Ų85.516%0.15544%0.442CS..Hα-helixtrans-65.3-48.8175.1-73.3160.9161.8-166.4-19.8111.9Q5 E6 M7 Q11 L12 E13 L50 Q51Q5-R9 WeakPolarHBondContact O-CD 3.22Å; Q5-R9 VanDerWaalsContact O-CG 3.29Å; Q5-R9 WeakPolarHBondContact O-CG 3.38Å; Q5-R9 PolarHBondContact O-N 3.4Å; Q5-R9 VanDerWaalsContact O-N 3.09Å; E6-R9 WeakPolarHBondContact O-CB 3.27Å; E6-R9 PolarHBondContact O-N 3.15Å; E6-R9 WeakPolarHBondContact OE2-CD 3.47Å; E6-R9 IonicContact OE2-CZ 2.88Å; E6-R9 IonicContact OE2-NH1 3.62Å; E6-R9 PolarHBondContact OE2-NH1 2.87Å; M7-R9 VanDerWaalsContact C-N 3.3Å; M7-R9 PolarHBondContact O-N 3.43Å; R9-Q11 PolarHBondContact O-N 2.69Å; R9-L12 PolarHBondContact O-N 2.97Å; R9-L12 VanDerWaalsContact O-N 3.12Å; R9-E13 WeakPolarHBondContact O-CG 3.4Å; R9-E13 PolarHBondContact O-N 3.31Å; R9-L50 VanDerWaalsContact CZ-O 3.22Å; R9-L50 PolarHBondContact NE-O 2.91Å; R9-L50 PolarHBondContact NH2-O 3.12Å; R9-Q51 PolarHBondContact NH2-O 2.86Å
10Q85.8Confident82.8Confident105 Ų10581.4 Ų81.449%0.49142%0.421SS..Hα-helixtrans-59.7-36.9177.9-71.5178.9-8.300111.6E6 M7 E13 S14E6-Q10 WeakPolarHBondContact O-CG 3.26Å; E6-Q10 PolarHBondContact O-N 3.49Å; M7-Q10 PolarHBondContact O-N 3.12Å; Q10-E13 PolarHBondContact O-N 3.49Å; Q10-S14 WeakPolarHBondContact O-CB 3.45Å; Q10-S14 PolarHBondContact O-N 3.35Å; Q10-S14 PolarHBondContact O-OG 3.36Å
11Q88.4Confident83.1Confident135 Ų13583.1 Ų83.163%0.63143%0.427SS*.Hα-helixtrans-65.3-45.1174.8-171.4176.8-0.600111.9M7 M8 R9 S14 S15M7-Q11 WeakPolarHBondContact O-CB 3.31Å; M7-Q11 PolarHBondContact O-N 2.66Å; M8-Q11 PolarHBondContact O-N 2.85Å; R9-Q11 PolarHBondContact O-N 2.69Å; Q11-S14 PolarHBondContact O-N 3.43Å; Q11-S15 PolarHBondContact O-N 3.27Å; Q11-S15 PolarHBondContact O-OG 3.36Å; Q11-S15 VanDerWaalsContact O-OG 3.13Å
12L88.1Confident84.4Confident42 Ų4279.2 Ų79.222%0.2241%0.405CS..Hα-helixtrans-61.8-42.3175.8-72.1168.8000112.1M8 R9 S15 M16 L50 L185M8-L12 WeakPolarHBondContact O-CG 3.4Å; M8-L12 PolarHBondContact O-N 3.39Å; R9-L12 PolarHBondContact O-N 2.97Å; R9-L12 VanDerWaalsContact O-N 3.12Å; L12-S15 PolarHBondContact O-N 3.01Å; L12-M16 WeakPolarHBondContact O-CB 3.36Å; L12-M16 PolarHBondContact O-N 2.87Å; L12-L50 HydrophobicContact CB-CD1 4.43Å; L12-L185 HydrophobicContact CD1-CD1 4.1Å
13E89.8Confident85.3Confident43 Ų4376 Ų7620%0.20138%0.377CS..Hα-helixtrans-62.8-45.5174.9-71.2179.8178.900111.6R9 Q10 S15 M16 D17 F46 H47 L50R9-E13 WeakPolarHBondContact O-CG 3.4Å; R9-E13 PolarHBondContact O-N 3.31Å; Q10-E13 PolarHBondContact O-N 3.49Å; E13-S15 VanDerWaalsContact C-N 3.33Å; E13-S15 PolarHBondContact O-N 3.43Å; E13-M16 WeakPolarHBondContact O-CB 3.46Å; E13-M16 PolarHBondContact O-N 2.91Å; E13-D17 WeakPolarHBondContact O-CB 3.48Å; E13-D17 PolarHBondContact O-N 3.37Å; E13-F46 HydrophobicContact CG-CD1 4.38Å; E13-F46 HydrophobicContact CG-CE1 4.37Å; E13-H47 VanDerWaalsContact CD-ND1 3.3Å; E13-H47 WeakPolarHBondContact OE1-CA 3.34Å; E13-H47 IonicContact OE1-CE1 2.72Å; E13-H47 IonicContact OE1-CG 3.83Å; E13-H47 IonicContact OE1-ND1 3.54Å; E13-H47 PolarHBondContact OE1-ND1 2.95Å; E13-H47 IonicContact OE2-CE1 3.69Å; E13-H47 IonicContact OE2-ND1 3.97Å; E13-H47 PolarHBondContact OE2-ND1 3.42Å; E13-L50 HydrophobicContact CG-CD1 3.5Å; E13-L50 VanDerWaalsContact CG-CD1 3.5Å
14S90.3Very high86Confident79 Ų7968.5 Ų68.555%0.55234%0.343SS*.Hα-helixtrans-62.9-39.7178.1-57.90000111.9Q10 Q11 D17 A18Q10-S14 WeakPolarHBondContact O-CB 3.45Å; Q10-S14 PolarHBondContact O-N 3.35Å; Q10-S14 PolarHBondContact O-OG 3.36Å; Q11-S14 PolarHBondContact O-N 3.43Å; S14-D17 PolarHBondContact O-N 2.94Å; S14-A18 PolarHBondContact O-N 3.27Å; S14-A18 VanDerWaalsContact O-N 3.1Å
15S91Very high86.6Confident51 Ų5167.1 Ų67.136%0.35734%0.342SS..Hα-helixtrans-67.3-42.2175.2-64.20000112.4Q11 L12 E13 D17 A18 E19Q11-S15 PolarHBondContact O-N 3.27Å; Q11-S15 PolarHBondContact O-OG 3.36Å; Q11-S15 VanDerWaalsContact O-OG 3.13Å; L12-S15 PolarHBondContact O-N 3.01Å; E13-S15 VanDerWaalsContact C-N 3.33Å; E13-S15 PolarHBondContact O-N 3.43Å; S15-D17 VanDerWaalsContact C-N 3.32Å; S15-D17 PolarHBondContact O-N 3.47Å; S15-A18 PolarHBondContact O-N 3.25Å; S15-E19 PolarHBondContact O-N 3.18Å; S15-E19 VanDerWaalsContact O-N 3.16Å
16M90.9Very high87Confident0 Ų066.5 Ų66.50%034%0.344CS..Hα-helixtrans-58.5-46.2173.8178.864.676.200110.9L12 E13 A18 E19 L20 F42 F46 I180 L185 P187L12-M16 WeakPolarHBondContact O-CB 3.36Å; L12-M16 PolarHBondContact O-N 2.87Å; E13-M16 WeakPolarHBondContact O-CB 3.46Å; E13-M16 PolarHBondContact O-N 2.91Å; M16-A18 PolarHBondContact O-N 2.72Å; M16-E19 PolarHBondContact O-N 3.12Å; M16-L20 HydrophobicContact CG-CD1 3.97Å; M16-L20 HydrophobicContact CG-CG 4.41Å; M16-L20 VanDerWaalsContact O-CG 3.29Å; M16-L20 WeakPolarHBondContact O-CG 3.23Å; M16-L20 PolarHBondContact O-N 3.36Å; M16-L20 HydrophobicContact SD-CD1 4.33Å; M16-L20 HydrophobicContact SD-CG 4.32Å; M16-F42 HydrophobicContact CE-CE1 4.29Å; M16-F42 HydrophobicContact CE-CZ 4.33Å; M16-F42 HydrophobicContact CG-CE1 4.31Å; M16-F42 HydrophobicContact SD-CE1 3.74Å; M16-F42 HydrophobicContact SD-CZ 4.31Å; M16-F46 HydrophobicContact CB-CD1 4.25Å; M16-F46 HydrophobicContact CB-CE1 3.89Å; M16-F46 HydrophobicContact CE-CD1 4.29Å; M16-F46 HydrophobicContact CE-CD2 3.94Å; M16-F46 HydrophobicContact CE-CE1 3.94Å; M16-F46 HydrophobicContact CE-CE2 3.57Å; M16-F46 HydrophobicContact CE-CG 4.28Å; M16-F46 HydrophobicContact CE-CZ 3.57Å; M16-F46 HydrophobicContact CG-CD1 4Å; M16-F46 HydrophobicContact CG-CE1 4.05Å; M16-I180 HydrophobicContact CE-CD1 4.43Å; M16-I180 HydrophobicContact CE-CG1 4.34Å; M16-I180 HydrophobicContact CE-CG2 4.39Å; M16-L185 WeakPolarHBondContact CE-O 3.3Å; M16-P187 WeakPolarHBondContact SD-CD 3.49Å; M16-P187 HydrophobicContact SD-CG 3.46Å; M16-P187 WeakPolarHBondContact SD-CG 3.38Å
17D90.4Very high87Confident54 Ų5464.4 Ų64.429%0.28934%0.336SS..Hα-helixtrans-61.1-44-179.3-86.316.2000112.5E13 S14 S15 E19 L20 E21 K43E13-D17 WeakPolarHBondContact O-CB 3.48Å; E13-D17 PolarHBondContact O-N 3.37Å; S14-D17 PolarHBondContact O-N 2.94Å; S15-D17 VanDerWaalsContact C-N 3.32Å; S15-D17 PolarHBondContact O-N 3.47Å; D17-E19 PolarHBondContact O-N 3.45Å; D17-L20 PolarHBondContact O-N 2.95Å; D17-E21 WeakPolarHBondContact O-CG 3.47Å; D17-E21 PolarHBondContact O-N 3.2Å; D17-K43 WeakPolarHBondContact OD1-CD 2.85Å; D17-K43 WeakPolarHBondContact OD1-CE 3.44Å; D17-K43 WeakPolarHBondContact OD1-CG 3.36Å; D17-K43 IonicContact OD1-NZ 3.91Å; D17-K43 PolarHBondContact OD1-NZ 3.38Å; D17-K43 IonicContact OD2-NZ 3.25Å; D17-K43 PolarHBondContact OD2-NZ 3.28Å
18A90.9Very high86.7Confident43 Ų4365 Ų6536%0.35535%0.346SS..Hα-helixtrans-63.3-39.4176.700000112.6S14 S15 M16 E21 K22S14-A18 PolarHBondContact O-N 3.27Å; S14-A18 VanDerWaalsContact O-N 3.1Å; S15-A18 PolarHBondContact O-N 3.25Å; M16-A18 PolarHBondContact O-N 2.72Å; A18-E21 PolarHBondContact O-N 3.04Å; A18-K22 WeakPolarHBondContact O-CG 3.07Å; A18-K22 PolarHBondContact O-N 3.11Å; A18-K22 VanDerWaalsContact O-N 3.15Å
19E90.5Very high86.6Confident66 Ų6662.5 Ų62.531%0.30835%0.348SS..Hα-helixtrans-70.2-36.9176.1-67.6-54.6137.400112.2S15 M16 D17 K22 L23 L186 P187S15-E19 PolarHBondContact O-N 3.18Å; S15-E19 VanDerWaalsContact O-N 3.16Å; M16-E19 PolarHBondContact O-N 3.12Å; D17-E19 PolarHBondContact O-N 3.45Å; E19-K22 PolarHBondContact O-N 3.19Å; E19-K22 IonicContact OE1-NZ 3.41Å; E19-K22 PolarHBondContact OE1-NZ 3.03Å; E19-K22 IonicContact OE2-NZ 3.57Å; E19-L23 WeakPolarHBondContact O-CG 3.48Å; E19-L23 PolarHBondContact O-N 2.81Å; E19-L23 VanDerWaalsContact O-N 3.08Å; E19-L186 HydrophobicContact CG-CD2 4.43Å; E19-P187 HydrophobicContact CB-CG 4.04Å
20L89.3Confident86.2Confident2 Ų264 Ų641%0.0137%0.369CS..Hα-helixtrans-65.6-37.9174-68.1172.8000111.9M16 D17 L23 V24 F39 F42 K43 P178 P187M16-L20 HydrophobicContact CG-CD1 3.97Å; M16-L20 HydrophobicContact CG-CG 4.41Å; M16-L20 VanDerWaalsContact O-CG 3.29Å; M16-L20 WeakPolarHBondContact O-CG 3.23Å; M16-L20 PolarHBondContact O-N 3.36Å; M16-L20 HydrophobicContact SD-CD1 4.33Å; M16-L20 HydrophobicContact SD-CG 4.32Å; D17-L20 PolarHBondContact O-N 2.95Å; L20-L23 HydrophobicContact CD2-CD1 4.31Å; L20-L23 WeakPolarHBondContact O-CB 3.46Å; L20-L23 PolarHBondContact O-N 2.9Å; L20-V24 WeakPolarHBondContact O-CG2 3.27Å; L20-V24 PolarHBondContact O-N 3.31Å; L20-F39 HydrophobicContact CB-CD2 4.01Å; L20-F39 HydrophobicContact CB-CE2 4.39Å; L20-F39 HydrophobicContact CD2-CD1 4.46Å; L20-F39 HydrophobicContact CD2-CD2 4.01Å; L20-F39 HydrophobicContact CD2-CE2 4.05Å; L20-F39 HydrophobicContact CD2-CG 4.23Å; L20-F39 HydrophobicContact CD2-CZ 4.32Å; L20-F42 HydrophobicContact CD1-CD1 3.75Å; L20-F42 HydrophobicContact CD1-CE1 4.02Å; L20-F42 HydrophobicContact CD2-CD1 4.13Å; L20-F42 HydrophobicContact CD2-CE1 4.14Å; L20-K43 HydrophobicContact CD1-CD 4.37Å; L20-K43 HydrophobicContact CD1-CG 3.72Å; L20-P178 HydrophobicContact CD2-CG 3.81Å; L20-P187 HydrophobicContact CD2-CG 4.23Å
21E88.8Confident85.8Confident118 Ų11864.7 Ų64.755%0.55138%0.376SS*.Hα-helixtrans-62.4-44.9174.6-77.4176-174.600111.7D17 A18 L23 V24 D25D17-E21 WeakPolarHBondContact O-CG 3.47Å; D17-E21 PolarHBondContact O-N 3.2Å; A18-E21 PolarHBondContact O-N 3.04Å; E21-L23 VanDerWaalsContact C-N 3.25Å; E21-L23 PolarHBondContact O-N 3.14Å; E21-V24 PolarHBondContact O-N 3.3Å; E21-V24 VanDerWaalsContact O-N 3.08Å; E21-D25 PolarHBondContact O-N 2.93Å
22K88.6Confident85.5Confident118 Ų11862.9 Ų62.951%0.51336%0.364SS..Hα-helixtrans-57-40.1173.1-69.3172.6-171.6171.60112.1A18 E19 D25 T26A18-K22 WeakPolarHBondContact O-CG 3.07Å; A18-K22 PolarHBondContact O-N 3.11Å; A18-K22 VanDerWaalsContact O-N 3.15Å; E19-K22 PolarHBondContact O-N 3.19Å; E19-K22 IonicContact OE1-NZ 3.41Å; E19-K22 PolarHBondContact OE1-NZ 3.03Å; E19-K22 IonicContact OE2-NZ 3.57Å; K22-D25 PolarHBondContact O-N 2.8Å; K22-T26 WeakPolarHBondContact O-CG2 3.37Å
23L85.9Confident85.3Confident6 Ų665.6 Ų65.63%0.03138%0.378CS..Hα-helixtrans-64-43.6176-72.2173.6000111.6E19 L20 E21 D25 T26 F39 P187 L192 W202E19-L23 WeakPolarHBondContact O-CG 3.48Å; E19-L23 PolarHBondContact O-N 2.81Å; E19-L23 VanDerWaalsContact O-N 3.08Å; L20-L23 HydrophobicContact CD2-CD1 4.31Å; L20-L23 WeakPolarHBondContact O-CB 3.46Å; L20-L23 PolarHBondContact O-N 2.9Å; E21-L23 VanDerWaalsContact C-N 3.25Å; E21-L23 PolarHBondContact O-N 3.14Å; L23-D25 VanDerWaalsContact C-N 3.29Å; L23-D25 PolarHBondContact O-N 3.43Å; L23-T26 WeakPolarHBondContact O-CB 3.44Å; L23-T26 PolarHBondContact O-N 2.85Å; L23-T26 PolarHBondContact O-OG1 3Å; L23-F39 HydrophobicContact CB-CE2 3.99Å; L23-F39 HydrophobicContact CB-CZ 4.34Å; L23-F39 HydrophobicContact CD1-CZ 4.47Å; L23-P187 HydrophobicContact CD1-CB 4.28Å; L23-L192 WeakPolarHBondContact O-CD1 3.27Å; L23-W202 HydrophobicContact CD1-CH2 4.31Å
24V86.3Confident85.1Confident11 Ų1167.5 Ų67.57%0.06739%0.393CS..Hα-helixtrans-62.1-37.5177.8172.60000111.8L20 E21 T26 V27 R32 M36 F39L20-V24 WeakPolarHBondContact O-CG2 3.27Å; L20-V24 PolarHBondContact O-N 3.31Å; E21-V24 PolarHBondContact O-N 3.3Å; E21-V24 VanDerWaalsContact O-N 3.08Å; V24-T26 PolarHBondContact O-N 2.77Å; V24-T26 VanDerWaalsContact O-N 3.17Å; V24-V27 PolarHBondContact O-N 3.02Å; V24-R32 HydrophobicContact CG1-CG 3.7Å; V24-M36 HydrophobicContact CG1-CE 3.66Å; V24-M36 HydrophobicContact CG1-CG 4.09Å; V24-M36 HydrophobicContact CG2-CG 4.48Å; V24-F39 HydrophobicContact CG2-CD2 3.52Å; V24-F39 HydrophobicContact CG2-CE2 3.63Å
25D85Confident84.8Confident112 Ų11264 Ų6460%0.59937%0.369SS*.THydrogen-bonded Turntrans-68.2-11.2-179.9-72-17.7000113.6E21 K22 L23 V27 R32E21-D25 PolarHBondContact O-N 2.93Å; K22-D25 PolarHBondContact O-N 2.8Å; L23-D25 VanDerWaalsContact C-N 3.29Å; L23-D25 PolarHBondContact O-N 3.43Å; D25-V27 PolarHBondContact O-N 3.12Å; D25-R32 IonicContact OD1-NH2 3.36Å
26T81.8Confident84.6Confident75 Ų7565.7 Ų65.746%0.4637%0.372SS..THydrogen-bonded Turntrans-75.9-7.7174.167.70000114.1K22 L23 V24 N191K22-T26 WeakPolarHBondContact O-CG2 3.37Å; L23-T26 WeakPolarHBondContact O-CB 3.44Å; L23-T26 PolarHBondContact O-N 2.85Å; L23-T26 PolarHBondContact O-OG1 3Å; V24-T26 PolarHBondContact O-N 2.77Å; V24-T26 VanDerWaalsContact O-N 3.17Å; T26-N191 HydrophobicContact CG2-CB 4.34Å
27V78.4Confident84.5Confident33 Ų3371.2 Ų71.220%0.240%0.396CS..  trans-133.5150.3-173.1176.40000111.8V24 D25 D31 L192V24-V27 PolarHBondContact O-N 3.02Å; D25-V27 PolarHBondContact O-N 3.12Å; V27-D31 HydrophobicContact CG1-CB 3.58Å; V27-L192 HydrophobicContact CB-CD1 3.97Å; V27-L192 HydrophobicContact CG2-CB 3.77Å; V27-L192 HydrophobicContact CG2-CD1 3.38Å; V27-L192 HydrophobicContact CG2-CG 4.19Å
28T73.8Confident84.5Confident126 Ų12669.6 Ų69.677%0.77339%0.387SS*.  trans-125.4157.3178.658.70000111.3
29G80.3Confident84.5Confident53 Ų5367.9 Ų67.955%0.54637%0.372SS..THydrogen-bonded Turntrans78.8-149.9175.200000114.8D31 R32G29-D31 VanDerWaalsContact C-N 3.29Å; G29-D31 PolarHBondContact O-N 3.26Å; G29-R32 WeakPolarHBondContact O-CB 3.2Å; G29-R32 PolarHBondContact O-N 3.13Å
30A76.3Confident84.5Confident73 Ų7371.5 Ų71.560%0.60339%0.386SS*.Hα-helixtrans-63.1-30.6-171.200000114.1R32 D33 V34A30-R32 PolarHBondContact O-N 3.31Å; A30-D33 PolarHBondContact O-N 2.95Å; A30-V34 PolarHBondContact O-N 2.64Å
31D76.7Confident84.6Confident118 Ų11872.6 Ų72.663%0.63140%0.398SS*.Hα-helixtrans-66-27.8176.6-69.4-26.8000111.8V27 G29 C35V27-D31 HydrophobicContact CG1-CB 3.58Å; G29-D31 VanDerWaalsContact C-N 3.29Å; G29-D31 PolarHBondContact O-N 3.26Å; D31-C35 WeakPolarHBondContact O-CB 3.37Å; D31-C35 PolarHBondContact O-N 3Å
32R83.3Confident84.8Confident97 Ų9767 Ų6737%0.36637%0.372SS..Hα-helixtrans-65-44.5174.7-165.1-173.8-173.2-168.23.5111.1V24 D25 G29 A30 C35 M36V24-R32 HydrophobicContact CG1-CG 3.7Å; D25-R32 IonicContact OD1-NH2 3.36Å; G29-R32 WeakPolarHBondContact O-CB 3.2Å; G29-R32 PolarHBondContact O-N 3.13Å; A30-R32 PolarHBondContact O-N 3.31Å; R32-C35 PolarHBondContact O-N 3.49Å; R32-M36 HydrophobicContact CG-CE 4.11Å; R32-M36 WeakPolarHBondContact O-CG 3.3Å; R32-M36 PolarHBondContact O-N 3.44Å
33D83.9Confident85Confident99 Ų9964 Ų6453%0.52936%0.359SS..Hα-helixtrans-66.6-40.4-178.3-66.7-26.9000111.9A30 K37A30-D33 PolarHBondContact O-N 2.95Å; D33-K37 WeakPolarHBondContact O-CG 3.37Å; D33-K37 PolarHBondContact O-N 3.47Å
34V83.8Confident85.2Confident83 Ų8367.8 Ų67.850%0.50338%0.379SS..Hα-helixtrans-64.1-46.8174.41770000110.2A30 M36 K37 D38A30-V34 PolarHBondContact O-N 2.64Å; V34-M36 PolarHBondContact O-N 3.34Å; V34-K37 PolarHBondContact O-N 2.89Å; V34-D38 PolarHBondContact O-N 3.16Å
35C85.1Confident85.4Confident7 Ų767.9 Ų67.95%0.04738%0.379CS..Hα-helixtrans-60.8-42.1179-167.10000112.3D31 R32 K37 D38 F39D31-C35 WeakPolarHBondContact O-CB 3.37Å; D31-C35 PolarHBondContact O-N 3Å; R32-C35 PolarHBondContact O-N 3.49Å; C35-K37 VanDerWaalsContact C-N 3.34Å; C35-K37 PolarHBondContact O-N 3.33Å; C35-D38 PolarHBondContact O-N 3.14Å; C35-F39 WeakPolarHBondContact O-CB 3.11Å; C35-F39 WeakPolarHBondContact O-CG 3.21Å; C35-F39 PolarHBondContact O-N 3.46Å; C35-F39 WeakPolarHBondContact SG-CE2 3.37Å; C35-F39 WeakPolarHBondContact SG-CZ 3.48Å
36M87.4Confident85.8Confident85 Ų8562.7 Ų62.742%0.41935%0.351SS..Hα-helixtrans-61.7-40.3175.8-77.9-173.4178.300112.5V24 R32 V34 F39 K40V24-M36 HydrophobicContact CG1-CE 3.66Å; V24-M36 HydrophobicContact CG1-CG 4.09Å; V24-M36 HydrophobicContact CG2-CG 4.48Å; R32-M36 HydrophobicContact CG-CE 4.11Å; R32-M36 WeakPolarHBondContact O-CG 3.3Å; R32-M36 PolarHBondContact O-N 3.44Å; V34-M36 PolarHBondContact O-N 3.34Å; M36-F39 PolarHBondContact O-N 3.49Å; M36-K40 WeakPolarHBondContact O-CB 3.38Å; M36-K40 PolarHBondContact O-N 3Å
37K88.1Confident86.3Confident117 Ų11762.5 Ų62.551%0.50935%0.345SS..Hα-helixtrans-64.5-45.8175.9-72.9176.6-176.6177.40111.4D33 V34 C35 K40 G41D33-K37 WeakPolarHBondContact O-CG 3.37Å; D33-K37 PolarHBondContact O-N 3.47Å; V34-K37 PolarHBondContact O-N 2.89Å; C35-K37 VanDerWaalsContact C-N 3.34Å; C35-K37 PolarHBondContact O-N 3.33Å; K37-K40 PolarHBondContact O-N 3.18Å; K37-G41 PolarHBondContact O-N 3.05Å
38D90.4Very high86.8Confident20 Ų2064.2 Ų64.211%0.10735%0.348CS..Hα-helixtrans-59.9-47.2176.1-78.54.1000110.6V34 C35 K40 G41 F42 S175 R176 Y177V34-D38 PolarHBondContact O-N 3.16Å; C35-D38 PolarHBondContact O-N 3.14Å; D38-K40 VanDerWaalsContact C-N 3.31Å; D38-K40 PolarHBondContact O-N 3.08Å; D38-G41 WeakPolarHBondContact O-CA 3.22Å; D38-G41 PolarHBondContact O-N 3.12Å; D38-F42 PolarHBondContact O-N 3.49Å; D38-S175 VanDerWaalsContact OD1-CB 3.28Å; D38-S175 WeakPolarHBondContact OD1-CB 3.47Å; D38-S175 PolarHBondContact OD1-OG 3.22Å; D38-S175 WeakPolarHBondContact OD2-CA 2.84Å; D38-R176 PolarHBondContact OD2-N 2.74Å; D38-Y177 HydrophobicContact CB-CD1 4.5Å; D38-Y177 HydrophobicContact CB-CE1 4.16Å; D38-Y177 WeakPolarHBondContact O-CE1 3.48Å
39F91.1Very high87.5Confident7 Ų760.6 Ų60.63%0.03132%0.322CS..Hα-helixtrans-68.3-31.2-178.2-71.63.2000112.7L20 L23 V24 C35 M36 G41 F42 K43 L192 W202L20-F39 HydrophobicContact CB-CD2 4.01Å; L20-F39 HydrophobicContact CB-CE2 4.39Å; L20-F39 HydrophobicContact CD2-CD1 4.46Å; L20-F39 HydrophobicContact CD2-CD2 4.01Å; L20-F39 HydrophobicContact CD2-CE2 4.05Å; L20-F39 HydrophobicContact CD2-CG 4.23Å; L20-F39 HydrophobicContact CD2-CZ 4.32Å; L23-F39 HydrophobicContact CB-CE2 3.99Å; L23-F39 HydrophobicContact CB-CZ 4.34Å; L23-F39 HydrophobicContact CD1-CZ 4.47Å; V24-F39 HydrophobicContact CG2-CD2 3.52Å; V24-F39 HydrophobicContact CG2-CE2 3.63Å; C35-F39 WeakPolarHBondContact O-CB 3.11Å; C35-F39 WeakPolarHBondContact O-CG 3.21Å; C35-F39 PolarHBondContact O-N 3.46Å; C35-F39 WeakPolarHBondContact SG-CE2 3.37Å; C35-F39 WeakPolarHBondContact SG-CZ 3.48Å; M36-F39 PolarHBondContact O-N 3.49Å; F39-G41 VanDerWaalsContact C-N 3.32Å; F39-G41 PolarHBondContact O-N 3.22Å; F39-F42 PolarHBondContact O-N 3.19Å; F39-K43 WeakPolarHBondContact O-CB 3.45Å; F39-K43 VanDerWaalsContact O-CG 3.25Å; F39-K43 WeakPolarHBondContact O-CG 3.37Å; F39-K43 PolarHBondContact O-N 3.34Å; F39-L192 HydrophobicContact CZ-CD2 4.24Å; F39-W202 HydrophobicContact CE1-CH2 4.11Å; F39-W202 AromaticContact CE1-CZ3 3.82Å; F39-W202 HydrophobicContact CE1-CZ3 3.82Å; F39-W202 AromaticContact CZ-CH2 3.8Å; F39-W202 HydrophobicContact CZ-CH2 3.8Å; F39-W202 HydrophobicContact CZ-CZ3 4.01Å
40K90.7Very high87.9Confident142 Ų14259.1 Ų59.162%0.61730%0.301SS*.Hα-helixtrans-60.5-43.9169.6-174.2178.8-179.9179.90111.3M36 K37 D38 N44M36-K40 WeakPolarHBondContact O-CB 3.38Å; M36-K40 PolarHBondContact O-N 3Å; K37-K40 PolarHBondContact O-N 3.18Å; D38-K40 VanDerWaalsContact C-N 3.31Å; D38-K40 PolarHBondContact O-N 3.08Å; K40-N44 VanDerWaalsContact O-CG 3.32Å; K40-N44 PolarHBondContact O-N 3.17Å; K40-N44 VanDerWaalsContact O-N 3.14Å
41G90Very high88.2Confident25 Ų2560.1 Ų60.126%0.25829%0.293SS..Hα-helixtrans-62-43.7174.200000112.5K37 D38 F39 N44 L45 Y177K37-G41 PolarHBondContact O-N 3.05Å; D38-G41 WeakPolarHBondContact O-CA 3.22Å; D38-G41 PolarHBondContact O-N 3.12Å; F39-G41 VanDerWaalsContact C-N 3.32Å; F39-G41 PolarHBondContact O-N 3.22Å; G41-N44 PolarHBondContact O-N 2.94Å; G41-L45 PolarHBondContact O-N 3.31Å; G41-Y177 VanDerWaalsContact C-OH 3.27Å; G41-Y177 WeakPolarHBondContact CA-OH 3.22Å
42F93.8Very high88.2Confident0 Ų058.9 Ų58.90%029%0.29CS..Hα-helixtrans-63.6-45.2176.9178-106.6000112.8M16 L20 D38 F39 N44 L45 F46 Y177 P178 I180M16-F42 HydrophobicContact CE-CE1 4.29Å; M16-F42 HydrophobicContact CE-CZ 4.33Å; M16-F42 HydrophobicContact CG-CE1 4.31Å; M16-F42 HydrophobicContact SD-CE1 3.74Å; M16-F42 HydrophobicContact SD-CZ 4.31Å; L20-F42 HydrophobicContact CD1-CD1 3.75Å; L20-F42 HydrophobicContact CD1-CE1 4.02Å; L20-F42 HydrophobicContact CD2-CD1 4.13Å; L20-F42 HydrophobicContact CD2-CE1 4.14Å; D38-F42 PolarHBondContact O-N 3.49Å; F39-F42 PolarHBondContact O-N 3.19Å; F42-N44 VanDerWaalsContact C-N 3.33Å; F42-N44 PolarHBondContact O-N 3.03Å; F42-L45 WeakPolarHBondContact O-CB 3.38Å; F42-L45 PolarHBondContact O-N 3.34Å; F42-L45 VanDerWaalsContact O-N 3.1Å; F42-F46 WeakPolarHBondContact O-CB 3.37Å; F42-F46 PolarHBondContact O-N 2.82Å; F42-Y177 HydrophobicContact CB-CD1 3.77Å; F42-Y177 HydrophobicContact CB-CD2 4.02Å; F42-Y177 HydrophobicContact CB-CE1 3.83Å; F42-Y177 HydrophobicContact CB-CE2 4.07Å; F42-Y177 HydrophobicContact CB-CG 3.89Å; F42-Y177 HydrophobicContact CD2-CD1 4.39Å; F42-Y177 AromaticContact CD2-CD2 3.59Å; F42-Y177 HydrophobicContact CD2-CD2 3.59Å; F42-Y177 HydrophobicContact CD2-CE2 4.3Å; F42-Y177 AromaticContact CD2-CG 3.66Å; F42-Y177 HydrophobicContact CD2-CG 3.66Å; F42-Y177 HydrophobicContact CG-CD1 4.43Å; F42-Y177 HydrophobicContact CG-CD2 4.27Å; F42-Y177 HydrophobicContact CG-CG 4.14Å; F42-Y177 PolarHBondContact N-OH 2.73Å; F42-P178 HydrophobicContact CD1-CG 4.27Å; F42-P178 HydrophobicContact CE1-CG 3.91Å; F42-P178 HydrophobicContact CE2-CG 4.41Å; F42-P178 HydrophobicContact CZ-CG 3.98Å; F42-I180 HydrophobicContact CE2-CD1 4Å; F42-I180 HydrophobicContact CE2-CG1 4.24Å; F42-I180 HydrophobicContact CZ-CD1 3.76Å; F42-I180 HydrophobicContact CZ-CG1 3.8Å
43K92.1Very high87Confident55 Ų5560.4 Ų60.424%0.23930%0.299CS..Hα-helixtrans-57.9-45.7176-75-178.7179.5-157.20111.2D17 L20 F39 L45 F46 H47D17-K43 WeakPolarHBondContact OD1-CD 2.85Å; D17-K43 WeakPolarHBondContact OD1-CE 3.44Å; D17-K43 WeakPolarHBondContact OD1-CG 3.36Å; D17-K43 IonicContact OD1-NZ 3.91Å; D17-K43 PolarHBondContact OD1-NZ 3.38Å; D17-K43 IonicContact OD2-NZ 3.25Å; D17-K43 PolarHBondContact OD2-NZ 3.28Å; L20-K43 HydrophobicContact CD1-CD 4.37Å; L20-K43 HydrophobicContact CD1-CG 3.72Å; F39-K43 WeakPolarHBondContact O-CB 3.45Å; F39-K43 VanDerWaalsContact O-CG 3.25Å; F39-K43 WeakPolarHBondContact O-CG 3.37Å; F39-K43 PolarHBondContact O-N 3.34Å; K43-L45 VanDerWaalsContact C-N 3.3Å; K43-L45 PolarHBondContact O-N 2.93Å; K43-F46 PolarHBondContact O-N 3Å; K43-H47 WeakPolarHBondContact O-CB 3.39Å; K43-H47 PolarHBondContact O-N 2.89Å
44N90.8Very high86Confident86 Ų8658.2 Ų58.246%0.4630%0.3SS..Hα-helixtrans-60.5-40.3175.4-71.8-11.8000112.1K40 G41 F42 R48K40-N44 VanDerWaalsContact O-CG 3.32Å; K40-N44 PolarHBondContact O-N 3.17Å; K40-N44 VanDerWaalsContact O-N 3.14Å; G41-N44 PolarHBondContact O-N 2.94Å; F42-N44 VanDerWaalsContact C-N 3.33Å; F42-N44 PolarHBondContact O-N 3.03Å; N44-R48 WeakPolarHBondContact O-CG 3.38Å; N44-R48 PolarHBondContact O-N 3.07Å; N44-R48 VanDerWaalsContact O-N 3.12Å
45L91.6Very high85.1Confident12 Ų1258.9 Ų58.96%0.06331%0.306CS..Hα-helixtrans-67.2-42.3177.2-172.364.3000111.8G41 F42 K43 R48 F49 Y177 I336 L352 T354G41-L45 PolarHBondContact O-N 3.31Å; F42-L45 WeakPolarHBondContact O-CB 3.38Å; F42-L45 PolarHBondContact O-N 3.34Å; F42-L45 VanDerWaalsContact O-N 3.1Å; K43-L45 VanDerWaalsContact C-N 3.3Å; K43-L45 PolarHBondContact O-N 2.93Å; L45-R48 PolarHBondContact O-N 2.73Å; L45-F49 WeakPolarHBondContact O-CB 3.21Å; L45-F49 PolarHBondContact O-N 3.08Å; L45-Y177 HydrophobicContact CD2-CD2 4.33Å; L45-Y177 HydrophobicContact CD2-CE2 4.05Å; L45-I336 HydrophobicContact CD1-CD1 3.94Å; L45-I336 HydrophobicContact CD1-CG1 3.77Å; L45-I336 HydrophobicContact CD1-CG2 4.32Å; L45-L352 HydrophobicContact CD2-CB 3.62Å; L45-L352 WeakPolarHBondContact CD2-O 3.45Å; L45-L352 HydrophobicContact CG-CB 4.05Å; L45-T354 HydrophobicContact CD1-CG2 3.92Å
46F92.5Very high84.4Confident3 Ų360.9 Ų60.91%0.01332%0.32CS..Hα-helixtrans-66.1-43.4178.1-172.7-109000112E13 M16 F42 K43 R48 F49 L50 I180 L185 L352E13-F46 HydrophobicContact CG-CD1 4.38Å; E13-F46 HydrophobicContact CG-CE1 4.37Å; M16-F46 HydrophobicContact CB-CD1 4.25Å; M16-F46 HydrophobicContact CB-CE1 3.89Å; M16-F46 HydrophobicContact CE-CD1 4.29Å; M16-F46 HydrophobicContact CE-CD2 3.94Å; M16-F46 HydrophobicContact CE-CE1 3.94Å; M16-F46 HydrophobicContact CE-CE2 3.57Å; M16-F46 HydrophobicContact CE-CG 4.28Å; M16-F46 HydrophobicContact CE-CZ 3.57Å; M16-F46 HydrophobicContact CG-CD1 4Å; M16-F46 HydrophobicContact CG-CE1 4.05Å; F42-F46 WeakPolarHBondContact O-CB 3.37Å; F42-F46 PolarHBondContact O-N 2.82Å; K43-F46 PolarHBondContact O-N 3Å; F46-R48 PolarHBondContact O-N 2.97Å; F46-F49 HydrophobicContact CD2-CD1 4.16Å; F46-F49 HydrophobicContact CE2-CD1 4.21Å; F46-F49 HydrophobicContact CE2-CE1 4.47Å; F46-F49 WeakPolarHBondContact O-CB 3.45Å; F46-F49 PolarHBondContact O-N 3.41Å; F46-F49 VanDerWaalsContact O-N 3.16Å; F46-L50 HydrophobicContact CD1-CD1 4Å; F46-L50 HydrophobicContact CD1-CG 4.5Å; F46-L50 HydrophobicContact CE1-CD1 3.55Å; F46-L50 HydrophobicContact CE1-CG 4.2Å; F46-L50 HydrophobicContact CZ-CD1 3.99Å; F46-L50 HydrophobicContact CZ-CD2 4.36Å; F46-L50 HydrophobicContact CZ-CG 4.29Å; F46-L50 WeakPolarHBondContact O-CG 3.46Å; F46-L50 PolarHBondContact O-N 3.48Å; F46-I180 HydrophobicContact CD2-CD1 3.76Å; F46-I180 HydrophobicContact CE2-CD1 3.96Å; F46-L185 HydrophobicContact CZ-CB 4.43Å; F46-L352 HydrophobicContact CD2-CD1 4.15Å
47H91.3Very high84.1Confident72 Ų7256.9 Ų56.933%0.33330%0.3SS..Hα-helixtrans-57-50.2173.8-179.569.6000111.5E13 K43 F49 L50 Q51E13-H47 VanDerWaalsContact CD-ND1 3.3Å; E13-H47 WeakPolarHBondContact OE1-CA 3.34Å; E13-H47 IonicContact OE1-CE1 2.72Å; E13-H47 IonicContact OE1-CG 3.83Å; E13-H47 IonicContact OE1-ND1 3.54Å; E13-H47 PolarHBondContact OE1-ND1 2.95Å; E13-H47 IonicContact OE2-CE1 3.69Å; E13-H47 IonicContact OE2-ND1 3.97Å; E13-H47 PolarHBondContact OE2-ND1 3.42Å; K43-H47 WeakPolarHBondContact O-CB 3.39Å; K43-H47 PolarHBondContact O-N 2.89Å; H47-F49 VanDerWaalsContact C-N 3.31Å; H47-F49 PolarHBondContact O-N 3.5Å; H47-L50 PolarHBondContact O-N 2.84Å; H47-Q51 PolarHBondContact CE1-NE2 3Å; H47-Q51 PolarHBondContact NE2-NE2 3.34Å; H47-Q51 WeakPolarHBondContact O-CG 3.33Å; H47-Q51 PolarHBondContact O-N 3.47Å
48R89.1Confident84.1Confident68 Ų6856.3 Ų56.326%0.25730%0.299SS..Hα-helixtrans-61.5-39.5175.8-71.3173.368.6-132.4-3.5111.7N44 L45 F46 L50 Q51 V52 D333 M334 I336N44-R48 WeakPolarHBondContact O-CG 3.38Å; N44-R48 PolarHBondContact O-N 3.07Å; N44-R48 VanDerWaalsContact O-N 3.12Å; L45-R48 PolarHBondContact O-N 2.73Å; F46-R48 PolarHBondContact O-N 2.97Å; R48-L50 VanDerWaalsContact C-N 3.34Å; R48-L50 PolarHBondContact O-N 3.38Å; R48-Q51 PolarHBondContact O-N 3.44Å; R48-V52 VanDerWaalsContact O-CG2 3.26Å; R48-V52 WeakPolarHBondContact O-CG2 3.45Å; R48-V52 PolarHBondContact O-N 2.87Å; R48-D333 IonicContact CZ-OD1 2.71Å; R48-D333 IonicContact NE-OD1 2.95Å; R48-D333 IonicContact NH2-OD1 2.68Å; R48-D333 PolarHBondContact NH2-OD1 2.85Å; R48-M334 PolarHBondContact NH1-O 3.45Å; R48-M334 PolarHBondContact NH2-O 3.21Å; R48-I336 HydrophobicContact CB-CD1 3.66Å
49F89.5Confident83.9Confident51 Ų5157.2 Ų57.222%0.22430%0.301CS..Hα-helixtrans-59.5-43.5176163.8-104.2000112L45 F46 H47 Q51 I336 V338 L352L45-F49 WeakPolarHBondContact O-CB 3.21Å; L45-F49 PolarHBondContact O-N 3.08Å; F46-F49 HydrophobicContact CD2-CD1 4.16Å; F46-F49 HydrophobicContact CE2-CD1 4.21Å; F46-F49 HydrophobicContact CE2-CE1 4.47Å; F46-F49 WeakPolarHBondContact O-CB 3.45Å; F46-F49 PolarHBondContact O-N 3.41Å; F46-F49 VanDerWaalsContact O-N 3.16Å; H47-F49 VanDerWaalsContact C-N 3.31Å; H47-F49 PolarHBondContact O-N 3.5Å; F49-Q51 VanDerWaalsContact C-N 3.32Å; F49-Q51 PolarHBondContact O-N 3.31Å; F49-I336 HydrophobicContact CB-CD1 3.92Å; F49-I336 VanDerWaalsContact N-CD1 3.29Å; F49-V338 HydrophobicContact CD2-CG2 3.9Å; F49-V338 HydrophobicContact CE2-CG1 4.35Å; F49-V338 HydrophobicContact CE2-CG2 3.77Å; F49-L352 HydrophobicContact CB-CD1 3.87Å; F49-L352 HydrophobicContact CB-CD2 4.47Å; F49-L352 HydrophobicContact CD1-CD1 4.15Å; F49-L352 HydrophobicContact CD2-CD2 3.74Å; F49-L352 HydrophobicContact CE2-CD2 4.09Å; F49-L352 HydrophobicContact CG-CD1 3.93Å; F49-L352 HydrophobicContact CG-CD2 3.99Å
50L88.1Confident83.9Confident21 Ų2164.7 Ų64.711%0.1134%0.34CS..Hα-helixtrans-69.4-30.5177-68178.9000112.8R9 L12 E13 F46 H47 R48R9-L50 VanDerWaalsContact CZ-O 3.22Å; R9-L50 PolarHBondContact NE-O 2.91Å; R9-L50 PolarHBondContact NH2-O 3.12Å; L12-L50 HydrophobicContact CB-CD1 4.43Å; E13-L50 HydrophobicContact CG-CD1 3.5Å; E13-L50 VanDerWaalsContact CG-CD1 3.5Å; F46-L50 HydrophobicContact CD1-CD1 4Å; F46-L50 HydrophobicContact CD1-CG 4.5Å; F46-L50 HydrophobicContact CE1-CD1 3.55Å; F46-L50 HydrophobicContact CE1-CG 4.2Å; F46-L50 HydrophobicContact CZ-CD1 3.99Å; F46-L50 HydrophobicContact CZ-CD2 4.36Å; F46-L50 HydrophobicContact CZ-CG 4.29Å; F46-L50 WeakPolarHBondContact O-CG 3.46Å; F46-L50 PolarHBondContact O-N 3.48Å; H47-L50 PolarHBondContact O-N 2.84Å; R48-L50 VanDerWaalsContact C-N 3.34Å; R48-L50 PolarHBondContact O-N 3.38Å
51Q83.7Confident83.9Confident94 Ų9462.1 Ų62.144%0.43933%0.329SS..Hα-helixtrans-73.9-39.4179.7-75.9-179-12.800113.8R9 H47 R48 F49 K53R9-Q51 PolarHBondContact NH2-O 2.86Å; H47-Q51 PolarHBondContact CE1-NE2 3Å; H47-Q51 PolarHBondContact NE2-NE2 3.34Å; H47-Q51 WeakPolarHBondContact O-CG 3.33Å; H47-Q51 PolarHBondContact O-N 3.47Å; R48-Q51 PolarHBondContact O-N 3.44Å; F49-Q51 VanDerWaalsContact C-N 3.32Å; F49-Q51 PolarHBondContact O-N 3.31Å; Q51-K53 PolarHBondContact O-N 2.99Å
52V75.7Confident84Confident92 Ų9262.3 Ų62.356%0.55832%0.323SS*.  trans-62.5104.6-175.4174.10000110.3R48R48-V52 VanDerWaalsContact O-CG2 3.26Å; R48-V52 WeakPolarHBondContact O-CG2 3.45Å; R48-V52 PolarHBondContact O-N 2.87Å
53K59.3Low83.9Confident130 Ų13068.8 Ų68.857%0.56535%0.352SS*.  trans-106.2112.6170-66.4-166.9-172.3-178.50109.2Q51Q51-K53 PolarHBondContact O-N 2.99Å
54G62.8Low83.7Confident53 Ų5374.6 Ų74.655%0.54637%0.372SS..SBendtrans100.6-178.2171.200000115
55P64.2Low83.6Confident97 Ų9772.1 Ų72.163%0.6336%0.361SS*.  trans-63.8135.8-178.325.3-31.5000110.9V57 P295P55-V57 PolarHBondContact O-N 2.82Å; P55-V57 VanDerWaalsContact O-N 3.1Å; P55-P295 HydrophobicContact CB-CG 4.41Å
56S70.4Confident83.4Confident49 Ų4974.2 Ų74.234%0.34338%0.375SS..SBendtrans-65.1-13.7-177.9-170.40000114R287 E335S56-R287 PolarHBondContact O-NH1 2.73Å; S56-R287 PolarHBondContact O-NH2 2.93Å; S56-R287 VanDerWaalsContact O-NH2 3.13Å; S56-R287 PolarHBondContact OG-NH2 2.73Å; S56-E335 WeakPolarHBondContact OG-CG 3.38Å
57V81.8Confident82.8Confident1 Ų182.8 Ų82.81%0.00642%0.415CS..SBendtrans-139.8138.7-179.7-72.40000110.6P55 I62 Y282 R287 L289 Q293P55-V57 PolarHBondContact O-N 2.82Å; P55-V57 VanDerWaalsContact O-N 3.1Å; V57-I62 HydrophobicContact CB-CD1 4.43Å; V57-I62 HydrophobicContact CG2-CD1 4.33Å; V57-Y282 HydrophobicContact CB-CE2 4.19Å; V57-Y282 HydrophobicContact CG1-CD2 4.44Å; V57-Y282 HydrophobicContact CG1-CE2 4.24Å; V57-R287 VanDerWaalsContact CG1-NH1 3.33Å; V57-L289 HydrophobicContact CG1-CD1 4.22Å; V57-L289 HydrophobicContact CG2-CD1 3.83Å; V57-Q293 HydrophobicContact CG2-CB 4.29Å; V57-Q293 VanDerWaalsContact CG2-O 3.24Å; V57-Q293 WeakPolarHBondContact CG2-O 3.37Å
58E86.3Confident82.4Confident104 Ų10486 Ų8649%0.48644%0.435SS..  trans-86.3116.5164.1-69.7173.3-138.200109.2I60 K61 Y282E58-I60 PolarHBondContact O-N 2.95Å; E58-I60 VanDerWaalsContact O-N 3.12Å; E58-K61 HydrophobicContact CB-CB 4.4Å; E58-K61 HydrophobicContact CB-CD 4.09Å; E58-K61 HydrophobicContact CB-CG 4.2Å; E58-K61 PolarHBondContact O-N 3.44Å; E58-K61 IonicContact OE1-NZ 2.67Å; E58-K61 PolarHBondContact OE1-NZ 3.2Å; E58-K61 WeakPolarHBondContact OE2-CD 3.46Å; E58-K61 WeakPolarHBondContact OE2-CE 3.4Å; E58-K61 IonicContact OE2-NZ 3.58Å; E58-K61 PolarHBondContact OE2-NZ 3.49Å; E58-Y282 PolarHBondContact N-OH 3.26Å
59W88.2Confident82.4Confident39 Ų3983.7 Ų83.715%0.14843%0.429CS..G310 helixtrans-54.9-36.7-173.7-170-105.6000113.4K61 I62 L289 V294 H298 E301 F302 F308W59-K61 VanDerWaalsContact C-N 3.27Å; W59-K61 PolarHBondContact O-N 2.89Å; W59-I62 HydrophobicContact CD2-CD1 4.14Å; W59-I62 HydrophobicContact CE3-CD1 3.52Å; W59-I62 HydrophobicContact CZ3-CD1 3.94Å; W59-I62 WeakPolarHBondContact O-CB 3.35Å; W59-I62 PolarHBondContact O-N 3.1Å; W59-L289 HydrophobicContact CZ3-CD2 4.24Å; W59-V294 HydrophobicContact CE3-CG1 4.04Å; W59-V294 HydrophobicContact CH2-CG1 4.14Å; W59-V294 HydrophobicContact CZ3-CB 4.3Å; W59-V294 HydrophobicContact CZ3-CG1 3.5Å; W59-V294 HydrophobicContact CZ3-CG2 4Å; W59-H298 AromaticContact CD1-CD2 3.49Å; W59-H298 VanDerWaalsContact CD1-CD2 3.49Å; W59-H298 AromaticContact CD1-CE1 3.62Å; W59-H298 AromaticContact CD1-CG 3.5Å; W59-H298 VanDerWaalsContact CD1-CG 3.5Å; W59-H298 AromaticContact CD1-ND1 3.57Å; W59-H298 AromaticContact CD1-NE2 3.58Å; W59-H298 HydrophobicContact CD2-CB 3.59Å; W59-H298 AromaticContact CD2-CD2 3.9Å; W59-H298 AromaticContact CD2-CG 3.73Å; W59-H298 VanDerWaalsContact CE2-CB 3.43Å; W59-H298 AromaticContact CE2-CG 3.65Å; W59-H298 HydrophobicContact CE3-CB 3.94Å; W59-H298 HydrophobicContact CG-CB 4.1Å; W59-H298 AromaticContact CG-CD2 3.44Å; W59-H298 VanDerWaalsContact CG-CD2 3.44Å; W59-H298 AromaticContact CG-CG 3.68Å; W59-H298 AromaticContact CG-NE2 3.9Å; W59-H298 HydrophobicContact CH2-CB 4.06Å; W59-H298 HydrophobicContact CZ2-CB 3.69Å; W59-H298 HydrophobicContact CZ3-CB 4.17Å; W59-H298 AromaticContact NE1-CD2 3.95Å; W59-H298 AromaticContact NE1-CE1 3.91Å; W59-H298 AromaticContact NE1-CG 3.45Å; W59-H298 AromaticContact NE1-ND1 3.42Å; W59-H298 PolarHBondContact NE1-ND1 2.93Å; W59-E301 HydrophobicContact CZ2-CB 3.84Å; W59-E301 PolarHBondContact NE1-OE2 2.81Å; W59-F302 HydrophobicContact CH2-CB 3.97Å; W59-F308 AromaticContact CH2-CE2 3.99Å; W59-F308 HydrophobicContact CH2-CE2 3.99Å; W59-F308 HydrophobicContact CH2-CZ 4.19Å; W59-F308 HydrophobicContact CZ2-CE2 4.38Å
60I89.7Confident82.6Confident164 Ų16482.6 Ų82.684%0.84143%0.425SS*.G310 helixtrans-66.7-27.4-178.7-59.6167.6000112.2E58 I62E58-I60 PolarHBondContact O-N 2.95Å; E58-I60 VanDerWaalsContact O-N 3.12Å; I60-I62 VanDerWaalsContact C-N 3.32Å
61K92.2Very high82.8Confident88 Ų8882.9 Ų82.938%0.38343%0.426SS..G310 helixtrans-82.4-11.2178.9-69.4-179.8178.6160.60112.9E58 W59 K63 Y282E58-K61 HydrophobicContact CB-CB 4.4Å; E58-K61 HydrophobicContact CB-CD 4.09Å; E58-K61 HydrophobicContact CB-CG 4.2Å; E58-K61 PolarHBondContact O-N 3.44Å; E58-K61 IonicContact OE1-NZ 2.67Å; E58-K61 PolarHBondContact OE1-NZ 3.2Å; E58-K61 WeakPolarHBondContact OE2-CD 3.46Å; E58-K61 WeakPolarHBondContact OE2-CE 3.4Å; E58-K61 IonicContact OE2-NZ 3.58Å; E58-K61 PolarHBondContact OE2-NZ 3.49Å; W59-K61 VanDerWaalsContact C-N 3.27Å; W59-K61 PolarHBondContact O-N 2.89Å; K61-K63 PolarHBondContact O-N 3.2Å; K61-Y282 HydrophobicContact CB-CD2 4.19Å; K61-Y282 HydrophobicContact CB-CE2 3.6Å
62I91.8Very high83.4Confident29 Ų2981 Ų8115%0.14942%0.422CS..  trans-71.2123.9179.8-62.1175.5000109.3V57 W59 I60 I280 Y282 L289V57-I62 HydrophobicContact CB-CD1 4.43Å; V57-I62 HydrophobicContact CG2-CD1 4.33Å; W59-I62 HydrophobicContact CD2-CD1 4.14Å; W59-I62 HydrophobicContact CE3-CD1 3.52Å; W59-I62 HydrophobicContact CZ3-CD1 3.94Å; W59-I62 WeakPolarHBondContact O-CB 3.35Å; W59-I62 PolarHBondContact O-N 3.1Å; I60-I62 VanDerWaalsContact C-N 3.32Å; I62-I280 HydrophobicContact CB-CD1 4.35Å; I62-I280 HydrophobicContact CD1-CD1 4.21Å; I62-I280 HydrophobicContact CG1-CD1 3.89Å; I62-I280 HydrophobicContact CG2-CB 4.03Å; I62-I280 HydrophobicContact CG2-CD1 3.78Å; I62-I280 HydrophobicContact CG2-CG2 3.95Å; I62-Y282 HydrophobicContact CG1-CD2 4.03Å; I62-Y282 HydrophobicContact CG1-CE2 4.35Å; I62-L289 HydrophobicContact CD1-CD1 4.43Å; I62-L289 HydrophobicContact CD1-CD2 4Å
63K91.3Very high84.4Confident137 Ų13778.4 Ų78.460%0.59640%0.402SS*.BIsolated β-bridgetrans-116154174.9-63.5-179-175.5-179.50110.1K61 Q281K61-K63 PolarHBondContact O-N 3.2Å; K63-Q281 HydrophobicContact CB-CB 4.24Å; K63-Q281 PolarHBondContact N-O 3.39Å; K63-Q281 PolarHBondContact O-N 2.72Å
64R88.3Confident86Confident177 Ų17778.1 Ų78.167%0.66841%0.407SS*.PPolyproline II helixtrans-64.1140.9169.7-69.1-179.1178.5166.20.5108.9
65P88.4Confident87.4Confident33 Ų3382.1 Ų82.121%0.21441%0.41CS..PPolyproline II helixtrans-54.7137.8172.4-22.833000110.5S69 I70 L279 L286P65-S69 WeakPolarHBondContact CB-OG 3.49Å; P65-I70 HydrophobicContact CB-CD1 3.59Å; P65-I70 HydrophobicContact CB-CG1 4.1Å; P65-I70 HydrophobicContact CG-CD1 3.7Å; P65-L279 HydrophobicContact CG-CB 4.49Å; P65-L279 VanDerWaalsContact CG-O 3.3Å; P65-L279 WeakPolarHBondContact CG-O 3.47Å; P65-L286 HydrophobicContact CB-CD2 4.03Å
66P86.4Confident88.7Confident56 Ų5677.6 Ų77.636%0.36438%0.38SS..PPolyproline II helixtrans-56.8148.1170.9-23.533.1000111.1D68 S69P66-D68 PolarHBondContact O-N 2.87Å; P66-S69 WeakPolarHBondContact CD-OG 3.38Å; P66-S69 WeakPolarHBondContact O-CB 3.44Å; P66-S69 PolarHBondContact O-N 2.82Å; P66-S69 PolarHBondContact O-OG 2.98Å
67E79.4Confident89.7Confident183 Ų18376.7 Ų76.786%0.85538%0.375SS*.G310 helixtrans-58-35.7-177.3-66.3-171.9174.200112.7S69 I70E67-S69 VanDerWaalsContact C-N 3.26Å; E67-S69 PolarHBondContact O-N 3.46Å; E67-I70 VanDerWaalsContact O-O 3.12Å
68D84.1Confident90.2Very high140 Ų14080.8 Ų80.875%0.74941%0.409SS*.G310 helixtrans-74.1-17.2178.9-64.9-35.1000113.9P66 I70P66-D68 PolarHBondContact O-N 2.87Å; D68-I70 VanDerWaalsContact C-N 3.33Å
69S88.6Confident90.1Very high20 Ų2081.1 Ų81.114%0.1441%0.406CS..G310 helixtrans-78.5-19.9-178.274.60000112.9P65 P66 E67 M367 G368P65-S69 WeakPolarHBondContact CB-OG 3.49Å; P66-S69 WeakPolarHBondContact CD-OG 3.38Å; P66-S69 WeakPolarHBondContact O-CB 3.44Å; P66-S69 PolarHBondContact O-N 2.82Å; P66-S69 PolarHBondContact O-OG 2.98Å; E67-S69 VanDerWaalsContact C-N 3.26Å; E67-S69 PolarHBondContact O-N 3.46Å; S69-M367 WeakPolarHBondContact O-CA 3.41Å; S69-G368 PolarHBondContact O-N 2.7Å
70I93.5Very high90Very high27 Ų2780.7 Ų80.714%0.13841%0.414CS..EExtended strand (participates in β ladder)trans-130.3103.4178.3-56.4179.8000108.8P65 E67 D68 V266 L279 I310 G368 N370P65-I70 HydrophobicContact CB-CD1 3.59Å; P65-I70 HydrophobicContact CB-CG1 4.1Å; P65-I70 HydrophobicContact CG-CD1 3.7Å; E67-I70 VanDerWaalsContact O-O 3.12Å; D68-I70 VanDerWaalsContact C-N 3.33Å; I70-V266 HydrophobicContact CG2-CG2 3.92Å; I70-L279 HydrophobicContact CD1-CB 4.14Å; I70-L279 HydrophobicContact CD1-CD1 4.24Å; I70-I310 HydrophobicContact CD1-CD1 3.39Å; I70-G368 VanDerWaalsContact CA-O 3.28Å; I70-G368 WeakPolarHBondContact CA-O 3.31Å; I70-N370 HydrophobicContact CG2-CB 4.37Å
71Q93.4Very high89.8Confident28 Ų2877 Ų7713%0.13140%0.395CS..EExtended strand (participates in β ladder)trans-88.6135.6-176.7-64-170.18.300111.4I76 H250 G368 I369 N370Q71-I76 HydrophobicContact CB-CD1 4.3Å; Q71-H250 PolarHBondContact OE1-CE1 3.27Å; Q71-G368 PolarHBondContact N-O 3.31Å; Q71-I369 CarbonylContact O-C 3.6Å; Q71-I369 VanDerWaalsContact O-CA 3.31Å; Q71-I369 WeakPolarHBondContact O-CA 3.38Å; Q71-N370 PolarHBondContact O-N 2.87Å
72P95.7Very high89.2Confident55 Ų5573.6 Ų73.636%0.35738%0.382SS..EExtended strand (participates in β ladder)trans-61.5137.3167.7-20.631.8000111D74 K75P72-D74 PolarHBondContact O-N 2.85Å; P72-K75 HydrophobicContact CB-CG 4.43Å; P72-K75 HydrophobicContact CG-CD 4.39Å; P72-K75 HydrophobicContact CG-CG 4.47Å; P72-K75 PolarHBondContact O-N 2.78Å; P72-K75 VanDerWaalsContact O-N 3.11Å
73Y95.8Very high88.6Confident36 Ų3681 Ų8114%0.14142%0.422CS..Hα-helixtrans-55.4-38.3178.1177.9-96.8000112.8K75 I76 A77 D244 H246 I247 I369 N370 V371 P372Y73-K75 PolarHBondContact O-N 3.35Å; Y73-I76 CarbonylContact O-C 3.6Å; Y73-I76 WeakPolarHBondContact O-CA 3.18Å; Y73-I76 WeakPolarHBondContact O-CB 3.31Å; Y73-I76 PolarHBondContact O-N 3.05Å; Y73-A77 HydrophobicContact CD1-CB 4.31Å; Y73-A77 HydrophobicContact CE1-CB 3.96Å; Y73-A77 PolarHBondContact O-N 2.7Å; Y73-D244 WeakPolarHBondContact CE2-OD2 3.21Å; Y73-D244 VanDerWaalsContact CZ-OD2 3.28Å; Y73-D244 PolarHBondContact OH-OD1 3.37Å; Y73-D244 PolarHBondContact OH-OD2 3.14Å; Y73-H246 PolarHBondContact OH-ND1 3.4Å; Y73-I247 HydrophobicContact CD2-CD1 4.28Å; Y73-I247 HydrophobicContact CD2-CG1 4.25Å; Y73-I247 HydrophobicContact CE2-CD1 4.16Å; Y73-I247 HydrophobicContact CE2-CG1 4.02Å; Y73-I369 HydrophobicContact CD2-CG2 4.48Å; Y73-N370 WeakPolarHBondContact CB-O 3.33Å; Y73-N370 PolarHBondContact N-O 3.27Å; Y73-V371 HydrophobicContact CD2-CG1 4.12Å; Y73-P372 HydrophobicContact CD1-CG 4.44Å
74D94.6Very high88.5Confident124 Ų12477.4 Ų77.466%0.66341%0.414SS*.Hα-helixtrans-59.3-33.8-179.8-58-25.5000112.7P72 I76 A78P72-D74 PolarHBondContact O-N 2.85Å; D74-I76 VanDerWaalsContact C-N 3.27Å; D74-I76 PolarHBondContact O-N 3.49Å; D74-A78 WeakPolarHBondContact O-CB 3.36Å; D74-A78 PolarHBondContact O-N 3.19Å
75K92.1Very high88.6Confident138 Ų13869.9 Ų69.960%0.639%0.388SS*.Hα-helixtrans-69-28.3175.1-67.6-167.5-177.6178.10112.3P72 Y73P72-K75 HydrophobicContact CB-CG 4.43Å; P72-K75 HydrophobicContact CG-CD 4.39Å; P72-K75 HydrophobicContact CG-CG 4.47Å; P72-K75 PolarHBondContact O-N 2.78Å; P72-K75 VanDerWaalsContact O-N 3.11Å; Y73-K75 PolarHBondContact O-N 3.35Å
76I91.2Very high88.8Confident2 Ų269.7 Ų69.71%0.0139%0.389CS..Hα-helixtrans-80.3-46.6177.5-59.6-179.5000109.5Q71 Y73 D74 A78 R79 H246 H250 I369Q71-I76 HydrophobicContact CB-CD1 4.3Å; Y73-I76 CarbonylContact O-C 3.6Å; Y73-I76 WeakPolarHBondContact O-CA 3.18Å; Y73-I76 WeakPolarHBondContact O-CB 3.31Å; Y73-I76 PolarHBondContact O-N 3.05Å; D74-I76 VanDerWaalsContact C-N 3.27Å; D74-I76 PolarHBondContact O-N 3.49Å; I76-A78 VanDerWaalsContact C-N 3.28Å; I76-A78 PolarHBondContact O-N 2.94Å; I76-R79 WeakPolarHBondContact O-CB 3.48Å; I76-R79 PolarHBondContact O-N 3.43Å; I76-H246 HydrophobicContact CG2-CB 4.19Å; I76-H246 WeakPolarHBondContact CG2-O 3.42Å; I76-H250 HydrophobicContact CG2-CB 3.81Å; I76-I369 HydrophobicContact CD1-CB 4.26Å; I76-I369 HydrophobicContact CD1-CD1 3.41Å; I76-I369 VanDerWaalsContact CD1-CD1 3.41Å; I76-I369 HydrophobicContact CD1-CG1 3.62Å; I76-I369 HydrophobicContact CD1-CG2 3.63Å
77A91.6Very high89Confident29 Ų2969.4 Ų69.424%0.2439%0.391CS..Hα-helixtrans-60.1-37.4176.100000112.2Y73 R79 G80Y73-A77 HydrophobicContact CD1-CB 4.31Å; Y73-A77 HydrophobicContact CE1-CB 3.96Å; Y73-A77 PolarHBondContact O-N 2.7Å; A77-R79 PolarHBondContact O-N 2.87Å; A77-R79 VanDerWaalsContact O-N 3.08Å; A77-G80 PolarHBondContact O-N 3.32Å
78A91Very high89.7Confident87 Ų8761 Ų6172%0.71935%0.353SS*.THydrogen-bonded Turntrans-62-1617800000114.6D74 I76 G80D74-A78 WeakPolarHBondContact O-CB 3.36Å; D74-A78 PolarHBondContact O-N 3.19Å; I76-A78 VanDerWaalsContact C-N 3.28Å; I76-A78 PolarHBondContact O-N 2.94Å; A78-G80 PolarHBondContact O-N 2.75Å
79R85.3Confident90.2Very high111 Ų11154.4 Ų54.442%0.41932%0.317SS..THydrogen-bonded Turntrans-77-11.3175-62.6-179.5-179.4179.8-2.8113I76 A77 H250I76-R79 WeakPolarHBondContact O-CB 3.48Å; I76-R79 PolarHBondContact O-N 3.43Å; A77-R79 PolarHBondContact O-N 2.87Å; A77-R79 VanDerWaalsContact O-N 3.08Å; R79-H250 PolarHBondContact NH1-CE1 3.11Å; R79-H250 PolarHBondContact NH1-ND1 2.96Å
80G85.3Confident90.5Very high30 Ų3056.7 Ų56.731%0.30933%0.328SS..  trans79.5-172.9-177.500000113.2A77 A78A77-G80 PolarHBondContact O-N 3.32Å; A78-G80 PolarHBondContact O-N 2.75Å
81L85.9Confident90.6Very high87 Ų8758.7 Ų58.746%0.45534%0.336SS..  trans-90.7154.9179-70.7172.8000110.5L245L81-L245 HydrophobicContact CD2-CB 3.59Å; L81-L245 HydrophobicContact CD2-CD1 4.27Å
82P80.6Confident90.8Very high16 Ų1657.4 Ų57.410%0.10433%0.33CS..  trans-64.3147.1175.321.4-25.3000110.9S84 V85 H249P82-S84 PolarHBondContact O-N 3.25Å; P82-S84 VanDerWaalsContact O-N 3.12Å; P82-V85 HydrophobicContact CG-CB 4.39Å; P82-V85 HydrophobicContact CG-CG2 3.85Å; P82-H249 WeakPolarHBondContact CB-ND1 3.41Å; P82-H249 HydrophobicContact CG-CB 4.12Å
83D79.1Confident91Very high184 Ų18454.8 Ų54.898%0.98431%0.313SS*.THydrogen-bonded Turntrans-53.7-33171-61.8-32.2000112.2
84S87.6Confident91.1Very high62 Ų6253.1 Ų53.143%0.43431%0.307SS..THydrogen-bonded Turntrans-128.189.8173.6-1740000111.6P82 A86 A87 S88P82-S84 PolarHBondContact O-N 3.25Å; P82-S84 VanDerWaalsContact O-N 3.12Å; S84-A86 PolarHBondContact O-N 3.35Å; S84-A87 PolarHBondContact O-N 3.05Å; S84-A87 WeakPolarHBondContact OG-CB 3.17Å; S84-A87 PolarHBondContact OG-N 3.38Å; S84-S88 PolarHBondContact O-N 3.29Å
85V90.9Very high91.3Very high20 Ų2047.3 Ų47.312%0.12128%0.275CS..Hα-helixtrans-56.1-39.9172177.20000111.4P82 A87 S88 L89 Y137 L245P82-V85 HydrophobicContact CG-CB 4.39Å; P82-V85 HydrophobicContact CG-CG2 3.85Å; V85-A87 VanDerWaalsContact C-N 3.34Å; V85-A87 PolarHBondContact O-N 2.85Å; V85-S88 PolarHBondContact O-N 3.44Å; V85-L89 HydrophobicContact CG1-CD1 3.64Å; V85-L89 HydrophobicContact CG1-CG 4.08Å; V85-L89 WeakPolarHBondContact O-CB 3.43Å; V85-L89 WeakPolarHBondContact O-CG 3.33Å; V85-L89 PolarHBondContact O-N 2.88Å; V85-Y137 HydrophobicContact CB-CD1 3.99Å; V85-Y137 HydrophobicContact CB-CE1 4.08Å; V85-Y137 HydrophobicContact CG1-CD1 3.67Å; V85-Y137 HydrophobicContact CG1-CD2 4.28Å; V85-Y137 HydrophobicContact CG1-CE1 3.7Å; V85-Y137 HydrophobicContact CG1-CE2 4.31Å; V85-Y137 HydrophobicContact CG1-CG 3.97Å; V85-Y137 HydrophobicContact CG2-CE1 4.36Å; V85-L245 HydrophobicContact CG1-CD1 3.89Å; V85-L245 HydrophobicContact CG1-CD2 3.92Å; V85-L245 HydrophobicContact CG1-CG 4.49Å
86A92.4Very high91.6Very high29 Ų2940.9 Ų40.924%0.2425%0.248CC..Hα-helixtrans-61.5-40.2-179.600000112.6S84 L89 N90 T139S84-A86 PolarHBondContact O-N 3.35Å; A86-L89 PolarHBondContact O-N 3.3Å; A86-N90 WeakPolarHBondContact O-CB 3.43Å; A86-N90 VanDerWaalsContact O-CG 3.28Å; A86-N90 PolarHBondContact O-N 3Å; A86-N90 PolarHBondContact O-ND2 2.91Å; A86-T139 HydrophobicContact CB-CG2 3.73Å
87A91.9Very high91.9Very high49 Ų4941.6 Ų41.641%0.40525%0.251SS..Hα-helixtrans-64.9-41.817800000112S84 V85S84-A87 PolarHBondContact O-N 3.05Å; S84-A87 WeakPolarHBondContact OG-CB 3.17Å; S84-A87 PolarHBondContact OG-N 3.38Å; V85-A87 VanDerWaalsContact C-N 3.34Å; V85-A87 PolarHBondContact O-N 2.85Å
88S92.9Very high92.1Very high8 Ų840.3 Ų40.36%0.05624%0.24CC..Hα-helixtrans-66.3-44.4176.1-63.30000112S84 V85 N90 K91S84-S88 PolarHBondContact O-N 3.29Å; V85-S88 PolarHBondContact O-N 3.44Å; S88-N90 PolarHBondContact O-N 3.09Å; S88-K91 WeakPolarHBondContact O-CB 3.35Å; S88-K91 PolarHBondContact O-N 2.86Å
89L95.1Very high92.2Very high0 Ų037 Ų370%022%0.215CC..Hα-helixtrans-64-38.1178.3-75.6174.3000112.6V85 A86 K91 L92 L133 Y137 T139 V141 V243 L245 L248V85-L89 HydrophobicContact CG1-CD1 3.64Å; V85-L89 HydrophobicContact CG1-CG 4.08Å; V85-L89 WeakPolarHBondContact O-CB 3.43Å; V85-L89 WeakPolarHBondContact O-CG 3.33Å; V85-L89 PolarHBondContact O-N 2.88Å; A86-L89 PolarHBondContact O-N 3.3Å; L89-K91 PolarHBondContact O-N 3.04Å; L89-K91 VanDerWaalsContact O-N 3.12Å; L89-L92 HydrophobicContact CD2-CD2 4.46Å; L89-L92 WeakPolarHBondContact O-CB 3.47Å; L89-L92 PolarHBondContact O-N 2.79Å; L89-L133 HydrophobicContact CD1-CD2 3.69Å; L89-L133 HydrophobicContact CD1-CG 4.09Å; L89-L133 HydrophobicContact CD2-CD1 4.01Å; L89-L133 HydrophobicContact CD2-CD2 3.93Å; L89-L133 HydrophobicContact CD2-CG 4.36Å; L89-L133 HydrophobicContact CG-CD2 4.33Å; L89-Y137 HydrophobicContact CD1-CD2 3.68Å; L89-Y137 HydrophobicContact CD1-CE2 4.48Å; L89-Y137 HydrophobicContact CD1-CG 3.85Å; L89-T139 HydrophobicContact CB-CG2 3.87Å; L89-T139 HydrophobicContact CD1-CG2 4.06Å; L89-V141 HydrophobicContact CB-CG2 4.02Å; L89-V141 HydrophobicContact CD2-CG2 4.33Å; L89-V243 HydrophobicContact CD2-CG1 4.07Å; L89-L245 HydrophobicContact CD1-CD2 4.33Å; L89-L245 HydrophobicContact CD2-CD2 3.79Å; L89-L245 HydrophobicContact CG-CD2 4.19Å; L89-L248 HydrophobicContact CD2-CD2 3.68Å; L89-L248 HydrophobicContact CG-CD2 4.2Å
90N95.1Very high92.3Very high69 Ų6933.8 Ų33.837%0.36922%0.216SC..Hα-helixtrans-63.7-18.6177.6-78.8-27.4000113.1A86 S88 D140 K228A86-N90 WeakPolarHBondContact O-CB 3.43Å; A86-N90 VanDerWaalsContact O-CG 3.28Å; A86-N90 PolarHBondContact O-N 3Å; A86-N90 PolarHBondContact O-ND2 2.91Å; S88-N90 PolarHBondContact O-N 3.09Å; N90-D140 PolarHBondContact OD1-N 3.14Å; N90-K228 WeakPolarHBondContact O-CD 3.49Å; N90-K228 WeakPolarHBondContact O-CE 3.49Å; N90-K228 PolarHBondContact O-NZ 3.31Å
91K95.8Very high92.5Very high69 Ų6934.9 Ų34.930%0.322%0.215SC..THydrogen-bonded Turntrans-88.3-6.6173.2-64.6176.4173.1-153.10113.7S88 L89 E229 Y230 V252S88-K91 WeakPolarHBondContact O-CB 3.35Å; S88-K91 PolarHBondContact O-N 2.86Å; L89-K91 PolarHBondContact O-N 3.04Å; L89-K91 VanDerWaalsContact O-N 3.12Å; K91-E229 HydrophobicContact CB-CB 4.21Å; K91-E229 HydrophobicContact CB-CG 4.31Å; K91-E229 HydrophobicContact CD-CG 4.31Å; K91-E229 VanDerWaalsContact CD-OE1 3.27Å; K91-E229 WeakPolarHBondContact CD-OE1 3.43Å; K91-E229 WeakPolarHBondContact CE-OE1 3.32Å; K91-E229 HydrophobicContact CG-CG 4.35Å; K91-E229 IonicContact NZ-OE1 2.72Å; K91-E229 PolarHBondContact NZ-OE1 2.84Å; K91-E229 PolarHBondContact O-N 3.11Å; K91-Y230 PolarHBondContact O-N 3.1Å; K91-V252 HydrophobicContact CD-CG1 4.2Å
92L97.9Very high92.5Very high0 Ų030.8 Ų30.80%019%0.193CC..EExtended strand (participates in β ladder)trans-97.2148.4-176.4-176.664.9000112L89 F232 V243 L248 W317L89-L92 HydrophobicContact CD2-CD2 4.46Å; L89-L92 WeakPolarHBondContact O-CB 3.47Å; L89-L92 PolarHBondContact O-N 2.79Å; L92-F232 HydrophobicContact CD1-CB 3.98Å; L92-V243 HydrophobicContact CD2-CB 4.48Å; L92-V243 HydrophobicContact CD2-CG1 3.48Å; L92-V243 VanDerWaalsContact CD2-CG1 3.48Å; L92-V243 HydrophobicContact CD2-CG2 4.12Å; L92-L248 HydrophobicContact CB-CD1 4.19Å; L92-L248 HydrophobicContact CB-CD2 4.44Å; L92-L248 HydrophobicContact CD1-CD1 4.22Å; L92-L248 HydrophobicContact CD2-CD1 4.34Å; L92-L248 HydrophobicContact CD2-CD2 4.08Å; L92-L248 HydrophobicContact CG-CD1 4.48Å; L92-W317 HydrophobicContact CD1-CE3 4.1Å; L92-W317 HydrophobicContact CD1-CZ3 3.84Å; L92-W317 HydrophobicContact CD2-CZ3 4.07Å
93V98.4Very high92.8Very high0 Ų034.6 Ų34.60%022%0.216CC..EExtended strand (participates in β ladder)trans-126.6134.7166.1176.50000108.3V95 P142 V144 L223 K228 Y230 I231 F232 L320V93-V95 HydrophobicContact CG1-CG2 4.13Å; V93-P142 HydrophobicContact CB-CG 4.22Å; V93-P142 HydrophobicContact CG1-CG 4.06Å; V93-P142 HydrophobicContact CG2-CG 3.83Å; V93-V144 HydrophobicContact CG1-CG2 3.53Å; V93-L223 HydrophobicContact CG1-CD1 4.09Å; V93-L223 HydrophobicContact CG2-CB 4.46Å; V93-L223 HydrophobicContact CG2-CD1 4.17Å; V93-L223 HydrophobicContact CG2-CD2 3.9Å; V93-L223 HydrophobicContact CG2-CG 4.4Å; V93-K228 HydrophobicContact CG2-CB 3.71Å; V93-K228 HydrophobicContact CG2-CD 3.96Å; V93-K228 HydrophobicContact CG2-CG 3.58Å; V93-Y230 PolarHBondContact N-O 3.32Å; V93-I231 HydrophobicContact CB-CG2 4.13Å; V93-I231 HydrophobicContact CG1-CG2 4.43Å; V93-I231 CarbonylContact O-C 3.52Å; V93-I231 VanDerWaalsContact O-CA 3.31Å; V93-I231 WeakPolarHBondContact O-CA 3.32Å; V93-F232 PolarHBondContact O-N 3.36Å; V93-L320 HydrophobicContact CG2-CD1 4.44Å
94V98.6Very high93.1Very high2 Ų229.1 Ų29.11%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-96.1126.4174.6179.40000108.9I130 V141 P142 L143 V144 F232 V243V94-I130 HydrophobicContact CB-CD1 3.89Å; V94-I130 HydrophobicContact CG1-CD1 3.93Å; V94-I130 HydrophobicContact CG2-CD1 4.14Å; V94-V141 HydrophobicContact CG2-CG1 3.86Å; V94-P142 PolarHBondContact N-O 3.41Å; V94-L143 HydrophobicContact CB-CD1 4.42Å; V94-L143 HydrophobicContact CG1-CD1 4.07Å; V94-L143 CarbonylContact O-C 3.58Å; V94-L143 WeakPolarHBondContact O-CA 3.28Å; V94-V144 PolarHBondContact O-N 3.41Å; V94-F232 HydrophobicContact CG1-CD1 4.24Å; V94-V243 HydrophobicContact CG2-CG2 3.52Å
95V98.6Very high93Very high1 Ų126.2 Ų26.21%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-117.8124.6178.3-1740000109.3V93 V144 I210 I231 F232 V233 S234V93-V95 HydrophobicContact CG1-CG2 4.13Å; V95-V144 CarbonylContact C-O 3.52Å; V95-V144 VanDerWaalsContact CA-O 3.3Å; V95-V144 WeakPolarHBondContact CA-O 3.35Å; V95-V144 HydrophobicContact CG1-CB 4.44Å; V95-V144 HydrophobicContact CG2-CB 4.14Å; V95-V144 HydrophobicContact CG2-CG2 4.47Å; V95-I210 HydrophobicContact CG1-CD1 4.1Å; V95-I231 HydrophobicContact CG2-CB 3.87Å; V95-I231 HydrophobicContact CG2-CD1 4.45Å; V95-I231 HydrophobicContact CG2-CG2 4.05Å; V95-F232 PolarHBondContact N-O 3.01Å; V95-F232 VanDerWaalsContact O-O 3.1Å; V95-V233 HydrophobicContact CB-CG2 4.21Å; V95-V233 WeakPolarHBondContact O-CA 3.29Å; V95-S234 PolarHBondContact O-N 3.4Å
96K98.3Very high92.8Very high4 Ų427.4 Ų27.42%0.01719%0.188CC..EExtended strand (participates in β ladder)trans-111.3130175.5-64.6-67.2-173175.40111N98 T126 L143 V144 L145 M146 S234 I236 A241K96-N98 PolarHBondContact O-N 3.2Å; K96-T126 HydrophobicContact CD-CG2 4.42Å; K96-T126 HydrophobicContact CG-CG2 4.01Å; K96-L143 HydrophobicContact CG-CD1 3.87Å; K96-V144 PolarHBondContact N-O 3.06Å; K96-L145 HydrophobicContact CB-CD2 3.94Å; K96-M146 PolarHBondContact O-N 2.75Å; K96-S234 WeakPolarHBondContact CA-O 3.36Å; K96-S234 WeakPolarHBondContact CD-OG 3.39Å; K96-S234 WeakPolarHBondContact CE-OG 3.38Å; K96-S234 PolarHBondContact NZ-OG 3.29Å; K96-I236 HydrophobicContact CB-CB 4.33Å; K96-I236 HydrophobicContact CB-CD1 3.88Å; K96-I236 HydrophobicContact CD-CD1 4.24Å; K96-I236 HydrophobicContact CG-CD1 3.83Å; K96-A241 PolarHBondContact NZ-O 3.38Å
97L97.8Very high92.5Very high17 Ų1727.8 Ų27.89%0.08919%0.189CC..EExtended strand (participates in β ladder)trans-74.4110.2173.9-56.9177.6000108.9M146 H207 I210 V233 S234 N235 I236L97-M146 HydrophobicContact CD2-CB 4.35Å; L97-M146 HydrophobicContact CD2-SD 3.57Å; L97-M146 VanDerWaalsContact CD2-SD 3.57Å; L97-H207 HydrophobicContact CD1-CB 3.81Å; L97-H207 HydrophobicContact CD2-CB 4.37Å; L97-I210 HydrophobicContact CD2-CD1 4.22Å; L97-V233 HydrophobicContact CD1-CG1 4.18Å; L97-V233 HydrophobicContact CD2-CG1 3.92Å; L97-V233 HydrophobicContact CG-CG1 3.96Å; L97-S234 PolarHBondContact N-O 3.18Å; L97-N235 WeakPolarHBondContact CD1-OD1 3.42Å; L97-I236 WeakPolarHBondContact O-CG2 3.43Å; L97-I236 PolarHBondContact O-N 3.34Å
98N96.6Very high92Very high2 Ų235.1 Ų35.11%0.01121%0.212CC..EExtended strand (participates in β ladder)trans-12221.1-173-169.945.4000112.7K96 G100 S112 L145 M146 N147 T151 T155K96-N98 PolarHBondContact O-N 3.2Å; N98-G100 VanDerWaalsContact C-N 3.32Å; N98-S112 WeakPolarHBondContact OD1-CB 3.4Å; N98-S112 PolarHBondContact OD1-OG 2.76Å; N98-L145 HydrophobicContact CB-CB 4.32Å; N98-M146 CarbonylContact C-O 3.55Å; N98-M146 VanDerWaalsContact CA-O 3.28Å; N98-M146 WeakPolarHBondContact CA-O 3.36Å; N98-M146 WeakPolarHBondContact CB-O 3.2Å; N98-M146 PolarHBondContact N-O 2.94Å; N98-N147 PolarHBondContact ND2-OD1 2.85Å; N98-T151 WeakPolarHBondContact O-CB 3.32Å; N98-T151 PolarHBondContact O-OG1 2.89Å; N98-T155 PolarHBondContact ND2-OG1 3.42Å
99G91.7Very high91.7Very high18 Ų1835.8 Ų35.819%0.18622%0.219CC..  trans-77.9-14.6179.100000114.9M146 S148G99-M146 PolarHBondContact N-O 2.76Å; G99-S148 PolarHBondContact O-OG 3.17Å
100G88.9Confident91.6Very high43 Ų4335.9 Ų35.944%0.44322%0.22SC..  trans-85.1140.3-171.900000114.4N98 K111N98-G100 VanDerWaalsContact C-N 3.32Å; G100-K111 PolarHBondContact O-N 3.36Å
101L88.4Confident91.5Very high53 Ų5333.2 Ų33.228%0.27721%0.205SC..BIsolated β-bridgetrans-90.1155.4173.1-66.8169.1000111.8T103 N150 T151L101-T103 HydrophobicContact CB-CG2 3.98Å; L101-T103 HydrophobicContact CD1-CG2 4.34Å; L101-T103 PolarHBondContact O-N 3.12Å; L101-N150 HydrophobicContact CD1-CB 3.99Å; L101-N150 HydrophobicContact CD2-CB 4.02Å; L101-N150 HydrophobicContact CG-CB 4.12Å; L101-T151 HydrophobicContact CD2-CG2 3.94Å
102G86.9Confident91.3Very high0 Ų030 Ų300%019%0.191CC..SBendtrans-80.718.2174.900000115S104 M105 G106 C107 G109G102-S104 VanDerWaalsContact C-N 3.29Å; G102-S104 PolarHBondContact O-N 3.33Å; G102-M105 CarbonylContact O-C 3.57Å; G102-M105 PolarHBondContact O-N 3.17Å; G102-G106 PolarHBondContact O-N 2.78Å; G102-C107 CarbonylContact C-O 3.59Å; G102-C107 PolarHBondContact O-N 3.4Å; G102-G109 PolarHBondContact N-O 2.87Å
103T86Confident91.1Very high97 Ų9732 Ų3260%0.59520%0.202SC*.G310 helixtrans-61.4-34.2-170.9510000113.3L101 M105 G106 C107L101-T103 HydrophobicContact CB-CG2 3.98Å; L101-T103 HydrophobicContact CD1-CG2 4.34Å; L101-T103 PolarHBondContact O-N 3.12Å; T103-M105 PolarHBondContact O-N 3.41Å; T103-M105 VanDerWaalsContact O-N 3.16Å; T103-G106 PolarHBondContact O-N 2.78Å; T103-C107 WeakPolarHBondContact CA-O 3.2Å; T103-C107 PolarHBondContact N-O 3.39Å
104S84.8Confident90.8Very high69 Ų6932.4 Ų32.448%0.48320%0.204SC..G310 helixtrans-61.3-22.7175.563.20000113.3G102G102-S104 VanDerWaalsContact C-N 3.29Å; G102-S104 PolarHBondContact O-N 3.33Å
105M86.8Confident90.5Very high0 Ų034.7 Ų34.70%022%0.22CC..G310 helixtrans-108.915177.3-60.8169.550.900111.7G102 T103 C107 I114 T382 L385 T421 K422 V423G102-M105 CarbonylContact O-C 3.57Å; G102-M105 PolarHBondContact O-N 3.17Å; T103-M105 PolarHBondContact O-N 3.41Å; T103-M105 VanDerWaalsContact O-N 3.16Å; M105-C107 VanDerWaalsContact C-N 3.32Å; M105-C107 PolarHBondContact O-N 3Å; M105-I114 HydrophobicContact CB-CD1 4.44Å; M105-I114 HydrophobicContact CE-CD1 3.92Å; M105-I114 HydrophobicContact CE-CG2 3.99Å; M105-I114 HydrophobicContact SD-CD1 4.04Å; M105-T382 HydrophobicContact CE-CG2 4.49Å; M105-L385 HydrophobicContact CE-CD1 3.23Å; M105-L385 HydrophobicContact CE-CG 3.81Å; M105-T421 WeakPolarHBondContact CA-O 3.44Å; M105-K422 CarbonylContact O-C 3.56Å; M105-K422 WeakPolarHBondContact O-CA 3.18Å; M105-V423 HydrophobicContact CB-CG2 3.77Å; M105-V423 HydrophobicContact CE-CG2 3.46Å; M105-V423 VanDerWaalsContact CE-CG2 3.46Å; M105-V423 WeakPolarHBondContact O-CG2 3.13Å; M105-V423 PolarHBondContact O-N 2.98Å
106G86.4Confident90.1Very high45 Ų4534.6 Ų34.646%0.46422%0.219SC..THydrogen-bonded Turntrans75.911.1177.700000115.5G102 T103G102-G106 PolarHBondContact O-N 2.78Å; T103-G106 PolarHBondContact O-N 2.78Å
107C85.9Confident89.6Confident37 Ų3736 Ų3625%0.2522%0.224CC..  trans-94.4136.7177.7-60.70000111G102 T103 M105 I114G102-C107 CarbonylContact C-O 3.59Å; G102-C107 PolarHBondContact O-N 3.4Å; T103-C107 WeakPolarHBondContact CA-O 3.2Å; T103-C107 PolarHBondContact N-O 3.39Å; M105-C107 VanDerWaalsContact C-N 3.32Å; M105-C107 PolarHBondContact O-N 3Å; C107-I114 HydrophobicContact CB-CD1 4.25Å; C107-I114 HydrophobicContact CB-CG1 4.29Å
108K81.3Confident89Confident204 Ų20441.1 Ų41.189%0.88725%0.252SS*.SBendtrans-80.7-22.1-179.6-66.8-174.9179-1780114.1
109G87.3Confident88.7Confident21 Ų2149.4 Ų49.422%0.21629%0.291CS..SBendtrans-94-176-175.700000115.1G102 K111G102-G109 PolarHBondContact N-O 2.87Å; G109-K111 PolarHBondContact O-N 2.9Å
110P91.8Very high88.8Confident2 Ų250 Ų501%0.01329%0.29CS..BIsolated β-bridgetrans-50.3136.1171.1-19.922.6000111.9S112 L113 T151 D154P110-S112 PolarHBondContact O-N 3.29Å; P110-L113 HydrophobicContact CB-CD1 4.14Å; P110-L113 HydrophobicContact CB-CG 4.14Å; P110-L113 HydrophobicContact CG-CD1 3.77Å; P110-L113 HydrophobicContact CG-CG 4.3Å; P110-L113 PolarHBondContact O-N 2.83Å; P110-L113 VanDerWaalsContact O-N 3.12Å; P110-T151 HydrophobicContact CB-CG2 3.8Å; P110-T151 HydrophobicContact CG-CG2 3.92Å; P110-D154 HydrophobicContact CG-CB 3.88Å
111K92.7Very high89.1Confident14 Ų1448.9 Ų48.96%0.06127%0.274CS..G310 helixtrans-60.6-29.5179.3-170.2172.6-179.3-177.40112.6G100 G109 L113 I114 F122 D237 V379G100-K111 PolarHBondContact O-N 3.36Å; G109-K111 PolarHBondContact O-N 2.9Å; K111-L113 PolarHBondContact O-N 3.16Å; K111-L113 VanDerWaalsContact O-N 3.17Å; K111-I114 HydrophobicContact CG-CD1 3.95Å; K111-I114 WeakPolarHBondContact O-CB 3.33Å; K111-I114 WeakPolarHBondContact O-CG1 3.43Å; K111-I114 PolarHBondContact O-N 3.08Å; K111-F122 VanDerWaalsContact O-CD2 3.29Å; K111-F122 WeakPolarHBondContact O-CD2 3.38Å; K111-D237 HydrophobicContact CD-CB 4.1Å; K111-D237 WeakPolarHBondContact CE-OD2 3.36Å; K111-D237 IonicContact NZ-OD2 3.69Å; K111-D237 PolarHBondContact NZ-OD2 3.05Å; K111-V379 VanDerWaalsContact CE-O 3.22Å; K111-V379 WeakPolarHBondContact CE-O 3.43Å; K111-V379 PolarHBondContact NZ-O 3.1Å
112S92.6Very high89.5Confident0 Ų046.3 Ų46.30%026%0.261CS..G310 helixtrans-60.6-20.817851.30000114.7N98 P110 T121 F122 L123N98-S112 WeakPolarHBondContact OD1-CB 3.4Å; N98-S112 PolarHBondContact OD1-OG 2.76Å; P110-S112 PolarHBondContact O-N 3.29Å; S112-T121 WeakPolarHBondContact O-CB 3.4Å; S112-F122 PolarHBondContact O-N 3.5Å; S112-L123 PolarHBondContact O-N 3.05Å; S112-L123 VanDerWaalsContact O-N 3.16Å
113L93.1Very high90Very high43 Ų4346.4 Ų46.423%0.22526%0.261CS..G310 helixtrans-93.5-0.7-178.7-57.4177.4000113.6P110 K111 S115 T121 I158P110-L113 HydrophobicContact CB-CD1 4.14Å; P110-L113 HydrophobicContact CB-CG 4.14Å; P110-L113 HydrophobicContact CG-CD1 3.77Å; P110-L113 HydrophobicContact CG-CG 4.3Å; P110-L113 PolarHBondContact O-N 2.83Å; P110-L113 VanDerWaalsContact O-N 3.12Å; K111-L113 PolarHBondContact O-N 3.16Å; K111-L113 VanDerWaalsContact O-N 3.17Å; L113-S115 PolarHBondContact O-N 2.95Å; L113-T121 VanDerWaalsContact O-CG2 3.25Å; L113-T121 WeakPolarHBondContact O-CG2 3.13Å; L113-I158 HydrophobicContact CD1-CD1 3.27Å; L113-I158 HydrophobicContact CD2-CB 4.45Å; L113-I158 HydrophobicContact CD2-CD1 3.41Å; L113-I158 VanDerWaalsContact CD2-CD1 3.41Å; L113-I158 HydrophobicContact CD2-CG2 4.16Å; L113-I158 HydrophobicContact CG-CD1 3.92Å
114I92.2Very high90.5Very high9 Ų942.1 Ų42.15%0.04624%0.235CC..SBendtrans-69128.8173.4-61.9178.3000108M105 C107 K111 V116 T121 F122 L385 V423M105-I114 HydrophobicContact CB-CD1 4.44Å; M105-I114 HydrophobicContact CE-CD1 3.92Å; M105-I114 HydrophobicContact CE-CG2 3.99Å; M105-I114 HydrophobicContact SD-CD1 4.04Å; C107-I114 HydrophobicContact CB-CD1 4.25Å; C107-I114 HydrophobicContact CB-CG1 4.29Å; K111-I114 HydrophobicContact CG-CD1 3.95Å; K111-I114 WeakPolarHBondContact O-CB 3.33Å; K111-I114 WeakPolarHBondContact O-CG1 3.43Å; K111-I114 PolarHBondContact O-N 3.08Å; I114-V116 PolarHBondContact O-N 2.72Å; I114-T121 VanDerWaalsContact O-CA 3.3Å; I114-T121 WeakPolarHBondContact O-CA 3.23Å; I114-F122 HydrophobicContact CB-CD2 4.35Å; I114-F122 HydrophobicContact CB-CE2 4.03Å; I114-F122 HydrophobicContact CG2-CE2 4.41Å; I114-L385 HydrophobicContact CG2-CD1 4.49Å; I114-V423 HydrophobicContact CG2-CG2 4.3Å
115S91.7Very high91Very high49 Ų4938.9 Ų38.934%0.34321%0.212SC..EExtended strand (participates in β ladder)trans-66126173.4179.40000110.2L113 E119L113-S115 PolarHBondContact O-N 2.95Å; S115-E119 WeakPolarHBondContact OG-CA 3.32Å
116V90.5Very high91.5Very high0 Ų039.1 Ų39.10%021%0.213CC..EExtended strand (participates in β ladder)trans-106.6-46.7-176.2-178.10000110.8I114 N120 F122 L125 L239 L385 V388 M389I114-V116 PolarHBondContact O-N 2.72Å; V116-N120 PolarHBondContact N-O 3.11Å; V116-F122 HydrophobicContact CG2-CD1 3.67Å; V116-F122 HydrophobicContact CG2-CD2 3.5Å; V116-F122 HydrophobicContact CG2-CE1 3.57Å; V116-F122 HydrophobicContact CG2-CE2 3.42Å; V116-F122 VanDerWaalsContact CG2-CE2 3.42Å; V116-F122 HydrophobicContact CG2-CG 3.62Å; V116-F122 HydrophobicContact CG2-CZ 3.43Å; V116-F122 VanDerWaalsContact CG2-CZ 3.43Å; V116-L125 HydrophobicContact CB-CD1 4.08Å; V116-L125 HydrophobicContact CG1-CD1 4.16Å; V116-L239 HydrophobicContact CG1-CD1 3.65Å; V116-L385 HydrophobicContact CG1-CD2 4.38Å; V116-V388 HydrophobicContact CG1-CG2 3.67Å; V116-M389 WeakPolarHBondContact O-CE 3.43Å; V116-M389 WeakPolarHBondContact O-CG 3.48Å
117R88.4Confident92Very high32 Ų3237 Ų3712%0.12119%0.192CC..EExtended strand (participates in β ladder)trans-156.6129.2-174.2-171.6166.8-179.11570.5112.2E119 N120 V388 Y393 L395 L400R117-E119 PolarHBondContact O-N 3.25Å; R117-N120 PolarHBondContact N-O 2.96Å; R117-N120 WeakPolarHBondContact O-CB 3.32Å; R117-N120 PolarHBondContact O-N 2.86Å; R117-N120 PolarHBondContact O-ND2 3.49Å; R117-V388 PolarHBondContact NH1-O 3.47Å; R117-Y393 VanDerWaalsContact NH1-C 3.25Å; R117-Y393 PolarHBondContact NH1-O 3.44Å; R117-Y393 PolarHBondContact NH2-O 3.09Å; R117-L395 HydrophobicContact CB-CD2 4.46Å; R117-L395 HydrophobicContact CG-CD2 4.13Å; R117-L400 VanDerWaalsContact NH1-CD2 3.29Å
118N86.1Confident92.5Very high126 Ų12637.9 Ų37.967%0.67419%0.192SC*.THydrogen-bonded Turntrans48.847.3-179.1-58.1-11.4000111.8N120N118-N120 PolarHBondContact O-N 3.41Å; N118-N120 PolarHBondContact O-ND2 3.3Å
119E88.8Confident93.2Very high175 Ų17529.4 Ų29.482%0.81816%0.155SC*.THydrogen-bonded Turntrans65.8-4.6-176.1-52-178.616500115.9S115 R117S115-E119 WeakPolarHBondContact OG-CA 3.32Å; R117-E119 PolarHBondContact O-N 3.25Å
120N94.3Very high93.7Very high32 Ų3228.6 Ų28.617%0.17115%0.146CC..EExtended strand (participates in β ladder)trans-74.4129.8175.3-59.1-69.1000110.7V116 R117 N118 D124 L125 Q128V116-N120 PolarHBondContact N-O 3.11Å; R117-N120 PolarHBondContact N-O 2.96Å; R117-N120 WeakPolarHBondContact O-CB 3.32Å; R117-N120 PolarHBondContact O-N 2.86Å; R117-N120 PolarHBondContact O-ND2 3.49Å; N118-N120 PolarHBondContact O-N 3.41Å; N118-N120 PolarHBondContact O-ND2 3.3Å; N120-D124 HydrophobicContact CB-CB 3.96Å; N120-L125 HydrophobicContact CB-CD2 3.91Å; N120-L125 HydrophobicContact CB-CG 4.15Å; N120-Q128 PolarHBondContact OD1-NE2 3.38Å
121T96Very high93.9Very high18 Ų1829.8 Ų29.811%0.1115%0.151CC..EExtended strand (participates in β ladder)trans-79.7168.9172.266.90000111.8S112 L113 I114 L123 D124 L125S112-T121 WeakPolarHBondContact O-CB 3.4Å; L113-T121 VanDerWaalsContact O-CG2 3.25Å; L113-T121 WeakPolarHBondContact O-CG2 3.13Å; I114-T121 VanDerWaalsContact O-CA 3.3Å; I114-T121 WeakPolarHBondContact O-CA 3.23Å; T121-L123 PolarHBondContact O-N 3.26Å; T121-D124 WeakPolarHBondContact CB-OD2 3.32Å; T121-D124 WeakPolarHBondContact CG2-OD2 3.22Å; T121-D124 PolarHBondContact N-OD2 2.8Å; T121-D124 WeakPolarHBondContact O-CB 3.43Å; T121-D124 PolarHBondContact O-N 3.19Å; T121-D124 VanDerWaalsContact O-N 3.15Å; T121-D124 PolarHBondContact OG1-N 3.2Å; T121-D124 VanDerWaalsContact OG1-N 3.14Å; T121-D124 PolarHBondContact OG1-OD2 3.01Å; T121-L125 WeakPolarHBondContact O-CG 3.39Å; T121-L125 PolarHBondContact O-N 3.36Å
122F96.3Very high94.1Very high0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-56.7-37.2172.8-66.2-84.7000112.4K111 S112 I114 V116 T126 I236 D237 L239 V379K111-F122 VanDerWaalsContact O-CD2 3.29Å; K111-F122 WeakPolarHBondContact O-CD2 3.38Å; S112-F122 PolarHBondContact O-N 3.5Å; I114-F122 HydrophobicContact CB-CD2 4.35Å; I114-F122 HydrophobicContact CB-CE2 4.03Å; I114-F122 HydrophobicContact CG2-CE2 4.41Å; V116-F122 HydrophobicContact CG2-CD1 3.67Å; V116-F122 HydrophobicContact CG2-CD2 3.5Å; V116-F122 HydrophobicContact CG2-CE1 3.57Å; V116-F122 HydrophobicContact CG2-CE2 3.42Å; V116-F122 VanDerWaalsContact CG2-CE2 3.42Å; V116-F122 HydrophobicContact CG2-CG 3.62Å; V116-F122 HydrophobicContact CG2-CZ 3.43Å; V116-F122 VanDerWaalsContact CG2-CZ 3.43Å; F122-T126 PolarHBondContact O-N 3.19Å; F122-T126 PolarHBondContact O-OG1 3.43Å; F122-I236 HydrophobicContact CB-CG1 4.03Å; F122-I236 WeakPolarHBondContact CD1-O 3.31Å; F122-D237 HydrophobicContact CE1-CB 4.24Å; F122-D237 HydrophobicContact CZ-CB 4.42Å; F122-L239 HydrophobicContact CD1-CD1 4.49Å; F122-L239 HydrophobicContact CD1-CD2 3.54Å; F122-L239 HydrophobicContact CD1-CG 4.05Å; F122-L239 HydrophobicContact CE1-CD1 4.06Å; F122-L239 HydrophobicContact CE1-CD2 3.94Å; F122-L239 HydrophobicContact CE1-CG 3.94Å; F122-V379 HydrophobicContact CE1-CB 3.82Å; F122-V379 HydrophobicContact CE1-CG1 4.4Å; F122-V379 HydrophobicContact CE1-CG2 3.98Å; F122-V379 HydrophobicContact CZ-CB 3.67Å; F122-V379 HydrophobicContact CZ-CG1 3.8Å; F122-V379 HydrophobicContact CZ-CG2 4.22Å
123L96.7Very high94.2Very high1 Ų134.6 Ų34.61%0.00518%0.175CC..Hα-helixtrans-67.1-43.6176.8-176.757.5000111.3S112 T121 L125 T126 V127 L143 L145 L159 Y162S112-L123 PolarHBondContact O-N 3.05Å; S112-L123 VanDerWaalsContact O-N 3.16Å; T121-L123 PolarHBondContact O-N 3.26Å; L123-L125 VanDerWaalsContact C-N 3.33Å; L123-L125 PolarHBondContact O-N 3.42Å; L123-T126 PolarHBondContact O-N 2.95Å; L123-V127 HydrophobicContact CD1-CG2 4.28Å; L123-V127 WeakPolarHBondContact O-CG2 3.29Å; L123-V127 PolarHBondContact O-N 3.19Å; L123-L143 HydrophobicContact CD1-CD2 4.43Å; L123-L145 HydrophobicContact CD1-CD1 3.85Å; L123-L145 HydrophobicContact CD1-CD2 4.07Å; L123-L145 HydrophobicContact CD2-CD1 4.43Å; L123-L159 HydrophobicContact CD2-CD2 4.31Å; L123-Y162 HydrophobicContact CD2-CE2 3.77Å; L123-Y162 HydrophobicContact CG-CE2 3.94Å
124D96.4Very high94.4Very high8 Ų832.6 Ų32.64%0.04316%0.164CC..Hα-helixtrans-58-46.7175.6-67.2-50.6000111.5N120 T121 T126 V127 Q128 K161 Y162N120-D124 HydrophobicContact CB-CB 3.96Å; T121-D124 WeakPolarHBondContact CB-OD2 3.32Å; T121-D124 WeakPolarHBondContact CG2-OD2 3.22Å; T121-D124 PolarHBondContact N-OD2 2.8Å; T121-D124 WeakPolarHBondContact O-CB 3.43Å; T121-D124 PolarHBondContact O-N 3.19Å; T121-D124 VanDerWaalsContact O-N 3.15Å; T121-D124 PolarHBondContact OG1-N 3.2Å; T121-D124 VanDerWaalsContact OG1-N 3.14Å; T121-D124 PolarHBondContact OG1-OD2 3.01Å; D124-T126 VanDerWaalsContact C-N 3.34Å; D124-T126 PolarHBondContact O-N 3.37Å; D124-V127 PolarHBondContact O-N 3.47Å; D124-Q128 WeakPolarHBondContact O-CB 3.23Å; D124-Q128 VanDerWaalsContact O-CG 3.25Å; D124-Q128 WeakPolarHBondContact O-CG 3.46Å; D124-Q128 PolarHBondContact O-N 2.99Å; D124-K161 VanDerWaalsContact CG-NZ 3.33Å; D124-K161 IonicContact OD1-NZ 3.2Å; D124-K161 PolarHBondContact OD1-NZ 2.99Å; D124-K161 IonicContact OD2-NZ 3.76Å; D124-K161 PolarHBondContact OD2-NZ 3.31Å; D124-Y162 VanDerWaalsContact OD1-CE1 3.31Å; D124-Y162 WeakPolarHBondContact OD1-CE1 3.22Å; D124-Y162 PolarHBondContact OD1-OH 3.17Å
125L96.6Very high94.6Very high1 Ų137.5 Ų37.51%0.00519%0.185CC..Hα-helixtrans-60.8-43.8178.4-66177.2000111.4V116 N120 T121 L123 Q128 Q129 L239 L395V116-L125 HydrophobicContact CB-CD1 4.08Å; V116-L125 HydrophobicContact CG1-CD1 4.16Å; N120-L125 HydrophobicContact CB-CD2 3.91Å; N120-L125 HydrophobicContact CB-CG 4.15Å; T121-L125 WeakPolarHBondContact O-CG 3.39Å; T121-L125 PolarHBondContact O-N 3.36Å; L123-L125 VanDerWaalsContact C-N 3.33Å; L123-L125 PolarHBondContact O-N 3.42Å; L125-Q128 PolarHBondContact O-N 3.03Å; L125-Q129 WeakPolarHBondContact O-CG 2.9Å; L125-Q129 PolarHBondContact O-N 3.35Å; L125-L239 HydrophobicContact CD1-CD2 3.69Å; L125-L395 HydrophobicContact CD2-CD1 3.63Å; L125-L395 HydrophobicContact CD2-CD2 4.07Å
126T96.9Very high94.7Very high5 Ų539 Ų393%0.03119%0.192CC..Hα-helixtrans-64.8-42177.8-58.30000112K96 F122 L123 D124 Q129 I130 L143 I236K96-T126 HydrophobicContact CD-CG2 4.42Å; K96-T126 HydrophobicContact CG-CG2 4.01Å; F122-T126 PolarHBondContact O-N 3.19Å; F122-T126 PolarHBondContact O-OG1 3.43Å; L123-T126 PolarHBondContact O-N 2.95Å; D124-T126 VanDerWaalsContact C-N 3.34Å; D124-T126 PolarHBondContact O-N 3.37Å; T126-Q129 PolarHBondContact O-N 2.67Å; T126-I130 HydrophobicContact CG2-CD1 4.07Å; T126-I130 WeakPolarHBondContact O-CG1 3.39Å; T126-I130 PolarHBondContact O-N 2.99Å; T126-I130 VanDerWaalsContact O-N 3.17Å; T126-L143 HydrophobicContact CG2-CD1 3.95Å; T126-L143 HydrophobicContact CG2-CD2 4.1Å; T126-I236 HydrophobicContact CG2-CD1 4.4Å; T126-I236 VanDerWaalsContact OG1-CD1 3.3Å; T126-I236 WeakPolarHBondContact OG1-CD1 3.33Å
127V97.1Very high94.9Very high1 Ų143 Ų431%0.00621%0.208CC..Hα-helixtrans-63.4-45.4176.7166.30000110.5L123 D124 Q129 I130 E131 L143 Y162 H165 V167 I169L123-V127 HydrophobicContact CD1-CG2 4.28Å; L123-V127 WeakPolarHBondContact O-CG2 3.29Å; L123-V127 PolarHBondContact O-N 3.19Å; D124-V127 PolarHBondContact O-N 3.47Å; V127-Q129 VanDerWaalsContact C-N 3.32Å; V127-Q129 PolarHBondContact O-N 3.32Å; V127-I130 PolarHBondContact O-N 3.28Å; V127-E131 WeakPolarHBondContact O-CB 3.31Å; V127-E131 PolarHBondContact O-N 3.22Å; V127-L143 HydrophobicContact CG2-CD2 4Å; V127-Y162 HydrophobicContact CB-CD1 4.18Å; V127-Y162 HydrophobicContact CB-CE1 4.15Å; V127-Y162 HydrophobicContact CG1-CD1 3.65Å; V127-Y162 HydrophobicContact CG1-CE1 4.07Å; V127-Y162 HydrophobicContact CG1-CG 4.23Å; V127-Y162 HydrophobicContact CG2-CD1 4.09Å; V127-Y162 HydrophobicContact CG2-CD2 4.32Å; V127-Y162 HydrophobicContact CG2-CE1 4.1Å; V127-Y162 HydrophobicContact CG2-CE2 4.35Å; V127-Y162 HydrophobicContact CG2-CG 4.19Å; V127-H165 HydrophobicContact CG1-CB 4.41Å; V127-V167 HydrophobicContact CG1-CG1 3.83Å; V127-I169 HydrophobicContact CG2-CD1 3.81Å
128Q96.4Very high95.2Very high55 Ų5547.2 Ų47.226%0.25723%0.233SC..Hα-helixtrans-58.9-42.5176.8-74.2171.820.700112N120 D124 L125 H132 A397N120-Q128 PolarHBondContact OD1-NE2 3.38Å; D124-Q128 WeakPolarHBondContact O-CB 3.23Å; D124-Q128 VanDerWaalsContact O-CG 3.25Å; D124-Q128 WeakPolarHBondContact O-CG 3.46Å; D124-Q128 PolarHBondContact O-N 2.99Å; L125-Q128 PolarHBondContact O-N 3.03Å; Q128-H132 WeakPolarHBondContact O-CB 3.43Å; Q128-H132 PolarHBondContact O-N 3.2Å; Q128-A397 CarbonylContact C-O 3.55Å
129Q96.2Very high95.6Very high25 Ų2541.5 Ų41.512%0.11720%0.202CC..Hα-helixtrans-59.6-50.5177.5-72.7172.410.400112L125 T126 V127 L133 A397 G398 S399L125-Q129 WeakPolarHBondContact O-CG 2.9Å; L125-Q129 PolarHBondContact O-N 3.35Å; T126-Q129 PolarHBondContact O-N 2.67Å; V127-Q129 VanDerWaalsContact C-N 3.32Å; V127-Q129 PolarHBondContact O-N 3.32Å; Q129-L133 WeakPolarHBondContact O-CB 3.4Å; Q129-L133 PolarHBondContact O-N 2.92Å; Q129-A397 WeakPolarHBondContact CA-O 3.3Å; Q129-A397 PolarHBondContact N-O 3.18Å; Q129-G398 PolarHBondContact NE2-O 2.9Å; Q129-S399 WeakPolarHBondContact CG-OG 3.13Å
130I96.6Very high95.9Very high5 Ų535.9 Ų35.93%0.02618%0.178CC..Hα-helixtrans-72.7-37.9-176.6-62.3171000110.6V94 T126 V127 L133 N134 V141 L143 V167V94-I130 HydrophobicContact CB-CD1 3.89Å; V94-I130 HydrophobicContact CG1-CD1 3.93Å; V94-I130 HydrophobicContact CG2-CD1 4.14Å; T126-I130 HydrophobicContact CG2-CD1 4.07Å; T126-I130 WeakPolarHBondContact O-CG1 3.39Å; T126-I130 PolarHBondContact O-N 2.99Å; T126-I130 VanDerWaalsContact O-N 3.17Å; V127-I130 PolarHBondContact O-N 3.28Å; I130-L133 PolarHBondContact O-N 2.86Å; I130-N134 WeakPolarHBondContact O-CB 3.39Å; I130-N134 PolarHBondContact O-N 3Å; I130-N134 PolarHBondContact O-ND2 2.87Å; I130-V141 HydrophobicContact CG2-CB 4.23Å; I130-V141 HydrophobicContact CG2-CG1 4.39Å; I130-V141 WeakPolarHBondContact CG2-O 3.36Å; I130-L143 HydrophobicContact CD1-CB 3.77Å; I130-L143 HydrophobicContact CD1-CD1 3.71Å; I130-L143 HydrophobicContact CD1-CD2 4.22Å; I130-L143 HydrophobicContact CD1-CG 4.08Å; I130-V167 HydrophobicContact CB-CG2 4.27Å; I130-V167 HydrophobicContact CG2-CB 4.37Å; I130-V167 HydrophobicContact CG2-CG2 3.68Å
131E96.6Very high96Very high26 Ų2634.4 Ų34.412%0.12117%0.17CC..Hα-helixtrans-62.6-45.4175.5-174-177-15900111.2V127 L133 N134 K135 H165 R166V127-E131 WeakPolarHBondContact O-CB 3.31Å; V127-E131 PolarHBondContact O-N 3.22Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-N134 PolarHBondContact O-N 3.37Å; E131-K135 HydrophobicContact CG-CD 4.19Å; E131-K135 WeakPolarHBondContact O-CB 3.21Å; E131-K135 WeakPolarHBondContact O-CG 3.39Å; E131-K135 PolarHBondContact O-N 2.61Å; E131-K135 WeakPolarHBondContact OE1-CE 3.29Å; E131-K135 IonicContact OE1-NZ 3.27Å; E131-K135 PolarHBondContact OE1-NZ 2.84Å; E131-K135 IonicContact OE2-NZ 2.91Å; E131-H165 IonicContact OE1-CD2 3.09Å; E131-H165 IonicContact OE2-CD2 3.34Å; E131-H165 PolarHBondContact OE2-CD2 3.2Å; E131-H165 VanDerWaalsContact OE2-CD2 3.25Å; E131-R166 HydrophobicContact CG-CB 3.99Å; E131-R166 PolarHBondContact OE1-N 3.17Å; E131-R166 VanDerWaalsContact OE1-N 3.14Å
132H96.6Very high96.1Very high96 Ų9633.7 Ų33.744%0.44417%0.165SC..Hα-helixtrans-59.9-46.5175.3-179.674.7000110.9Q128 N134 K135 T136 A397Q128-H132 WeakPolarHBondContact O-CB 3.43Å; Q128-H132 PolarHBondContact O-N 3.2Å; H132-N134 PolarHBondContact O-N 3.11Å; H132-K135 PolarHBondContact O-N 3.24Å; H132-T136 PolarHBondContact CE1-OG1 2.95Å; H132-T136 PolarHBondContact NE2-OG1 3.1Å; H132-T136 WeakPolarHBondContact O-CB 3.44Å; H132-T136 PolarHBondContact O-N 3.21Å; H132-T136 PolarHBondContact O-OG1 2.86Å; H132-A397 HydrophobicContact CB-CB 3.8Å
133L95.4Very high96.2Very high20 Ų2033.7 Ų33.711%0.10517%0.165CC..Hα-helixtrans-57.8-45.5176.2-179.1155.2000112L89 Q129 I130 E131 K135 T136 Y137 V141 V243L89-L133 HydrophobicContact CD1-CD2 3.69Å; L89-L133 HydrophobicContact CD1-CG 4.09Å; L89-L133 HydrophobicContact CD2-CD1 4.01Å; L89-L133 HydrophobicContact CD2-CD2 3.93Å; L89-L133 HydrophobicContact CD2-CG 4.36Å; L89-L133 HydrophobicContact CG-CD2 4.33Å; Q129-L133 WeakPolarHBondContact O-CB 3.4Å; Q129-L133 PolarHBondContact O-N 2.92Å; I130-L133 PolarHBondContact O-N 2.86Å; E131-L133 VanDerWaalsContact C-N 3.34Å; L133-K135 PolarHBondContact O-N 3.42Å; L133-T136 PolarHBondContact O-N 3.06Å; L133-Y137 HydrophobicContact CG-CD2 4.22Å; L133-Y137 WeakPolarHBondContact O-CD2 3.31Å; L133-Y137 PolarHBondContact O-N 3.31Å; L133-V141 HydrophobicContact CD2-CB 4.26Å; L133-V141 HydrophobicContact CD2-CG2 3.6Å; L133-V243 HydrophobicContact CD1-CB 3.94Å; L133-V243 HydrophobicContact CD1-CG1 4.1Å; L133-V243 HydrophobicContact CD1-CG2 4.37Å
134N96.3Very high96.3Very high0 Ų033.6 Ų33.60%017%0.165CC..Hα-helixtrans-65.9-36.7177.6-76-22.4000113I130 E131 H132 N138 T139 V141 R166I130-N134 WeakPolarHBondContact O-CB 3.39Å; I130-N134 PolarHBondContact O-N 3Å; I130-N134 PolarHBondContact O-ND2 2.87Å; E131-N134 PolarHBondContact O-N 3.37Å; H132-N134 PolarHBondContact O-N 3.11Å; N134-N138 VanDerWaalsContact O-CA 3.23Å; N134-N138 WeakPolarHBondContact O-CA 3.4Å; N134-N138 PolarHBondContact O-N 2.86Å; N134-N138 VanDerWaalsContact O-N 3.11Å; N134-T139 WeakPolarHBondContact CB-O 3.26Å; N134-T139 PolarHBondContact O-N 3.07Å; N134-T139 VanDerWaalsContact O-N 3.14Å; N134-T139 PolarHBondContact OD1-O 2.96Å; N134-T139 PolarHBondContact OD1-OG1 3.41Å; N134-T139 VanDerWaalsContact OD1-OG1 3.04Å; N134-V141 PolarHBondContact ND2-O 2.82Å; N134-V141 WeakPolarHBondContact OD1-CB 3.49Å; N134-V141 PolarHBondContact OD1-N 2.61Å; N134-R166 HydrophobicContact CB-CG 4.34Å; N134-R166 PolarHBondContact ND2-O 3.4Å
135K96Very high96.4Very high113 Ų11333.2 Ų33.249%0.49116%0.163SC..Hα-helixtrans-69.1-45.9175.7-74175.9-177.21670111.4E131 H132 L133 R166E131-K135 HydrophobicContact CG-CD 4.19Å; E131-K135 WeakPolarHBondContact O-CB 3.21Å; E131-K135 WeakPolarHBondContact O-CG 3.39Å; E131-K135 PolarHBondContact O-N 2.61Å; E131-K135 WeakPolarHBondContact OE1-CE 3.29Å; E131-K135 IonicContact OE1-NZ 3.27Å; E131-K135 PolarHBondContact OE1-NZ 2.84Å; E131-K135 IonicContact OE2-NZ 2.91Å; H132-K135 PolarHBondContact O-N 3.24Å; L133-K135 PolarHBondContact O-N 3.42Å; K135-R166 HydrophobicContact CG-CB 4.42Å
136T95.1Very high96.4Very high79 Ų7933.3 Ų33.349%0.48516%0.163SC..Hα-helixtrans-68.4-44.8-175.8-60.30000112.5H132 L133H132-T136 PolarHBondContact CE1-OG1 2.95Å; H132-T136 PolarHBondContact NE2-OG1 3.1Å; H132-T136 WeakPolarHBondContact O-CB 3.44Å; H132-T136 PolarHBondContact O-N 3.21Å; H132-T136 PolarHBondContact O-OG1 2.86Å; L133-T136 PolarHBondContact O-N 3.06Å
137Y94.4Very high96.5Very high86 Ų8633 Ų3334%0.33716%0.162SC..Hα-helixtrans-98.13.2-177.1-62.7-70000114V85 L89 L133 T139 L245V85-Y137 HydrophobicContact CB-CD1 3.99Å; V85-Y137 HydrophobicContact CB-CE1 4.08Å; V85-Y137 HydrophobicContact CG1-CD1 3.67Å; V85-Y137 HydrophobicContact CG1-CD2 4.28Å; V85-Y137 HydrophobicContact CG1-CE1 3.7Å; V85-Y137 HydrophobicContact CG1-CE2 4.31Å; V85-Y137 HydrophobicContact CG1-CG 3.97Å; V85-Y137 HydrophobicContact CG2-CE1 4.36Å; L89-Y137 HydrophobicContact CD1-CD2 3.68Å; L89-Y137 HydrophobicContact CD1-CE2 4.48Å; L89-Y137 HydrophobicContact CD1-CG 3.85Å; L133-Y137 HydrophobicContact CG-CD2 4.22Å; L133-Y137 WeakPolarHBondContact O-CD2 3.31Å; L133-Y137 PolarHBondContact O-N 3.31Å; Y137-T139 VanDerWaalsContact C-N 3.28Å; Y137-T139 PolarHBondContact O-N 3.14Å; Y137-L245 HydrophobicContact CE2-CD1 4.15Å; Y137-L245 WeakPolarHBondContact OH-CD1 3.23Å
138N94.7Very high96.3Very high120 Ų12033 Ų3364%0.64216%0.162SC*.THydrogen-bonded Turntrans52.844.3-175.6-165.642.6000112.9N134 R166N134-N138 VanDerWaalsContact O-CA 3.23Å; N134-N138 WeakPolarHBondContact O-CA 3.4Å; N134-N138 PolarHBondContact O-N 2.86Å; N134-N138 VanDerWaalsContact O-N 3.11Å; N138-R166 PolarHBondContact OD1-NH2 3.49Å
139T95.3Very high96.1Very high5 Ų532.3 Ų32.33%0.03116%0.158CC..  trans-109.6175.4-177.856.80000112.2A86 L89 N134 Y137A86-T139 HydrophobicContact CB-CG2 3.73Å; L89-T139 HydrophobicContact CB-CG2 3.87Å; L89-T139 HydrophobicContact CD1-CG2 4.06Å; N134-T139 WeakPolarHBondContact CB-O 3.26Å; N134-T139 PolarHBondContact O-N 3.07Å; N134-T139 VanDerWaalsContact O-N 3.14Å; N134-T139 PolarHBondContact OD1-O 2.96Å; N134-T139 PolarHBondContact OD1-OG1 3.41Å; N134-T139 VanDerWaalsContact OD1-OG1 3.04Å; Y137-T139 VanDerWaalsContact C-N 3.28Å; Y137-T139 PolarHBondContact O-N 3.14Å
140D94.3Very high95.8Very high58 Ų5834.3 Ų34.331%0.3117%0.17SC..  trans-131.975.8173-172.425.9000110.2N90 P142 K168 K228N90-D140 PolarHBondContact OD1-N 3.14Å; D140-P142 WeakPolarHBondContact O-CD 3.33Å; D140-K168 WeakPolarHBondContact OD2-CD 3.17Å; D140-K168 WeakPolarHBondContact OD2-CE 3.38Å; D140-K168 IonicContact OD2-NZ 2.87Å; D140-K168 PolarHBondContact OD2-NZ 2.88Å; D140-K228 PolarHBondContact O-NZ 3.02Å
141V96.9Very high95.7Very high0 Ų034.1 Ų34.10%017%0.168CC..PPolyproline II helixtrans-83117.9173.9-178.20000108.8L89 V94 I130 L133 N134L89-V141 HydrophobicContact CB-CG2 4.02Å; L89-V141 HydrophobicContact CD2-CG2 4.33Å; V94-V141 HydrophobicContact CG2-CG1 3.86Å; I130-V141 HydrophobicContact CG2-CB 4.23Å; I130-V141 HydrophobicContact CG2-CG1 4.39Å; I130-V141 WeakPolarHBondContact CG2-O 3.36Å; L133-V141 HydrophobicContact CD2-CB 4.26Å; L133-V141 HydrophobicContact CD2-CG2 3.6Å; N134-V141 PolarHBondContact ND2-O 2.82Å; N134-V141 WeakPolarHBondContact OD1-CB 3.49Å; N134-V141 PolarHBondContact OD1-N 2.61Å
142P97.6Very high95.6Very high3 Ų333.7 Ų33.72%0.01917%0.167CC..PPolyproline II helixtrans-79.9146176.531-33000111.7V93 V94 D140 K168 L223V93-P142 HydrophobicContact CB-CG 4.22Å; V93-P142 HydrophobicContact CG1-CG 4.06Å; V93-P142 HydrophobicContact CG2-CG 3.83Å; V94-P142 PolarHBondContact N-O 3.41Å; D140-P142 WeakPolarHBondContact O-CD 3.33Å; P142-K168 CarbonylContact C-O 3.58Å; P142-K168 WeakPolarHBondContact CA-O 3.31Å; P142-K168 HydrophobicContact CB-CB 4.37Å; P142-L223 HydrophobicContact CG-CD2 4.07Å
143L98.4Very high95.4Very high0 Ų035.7 Ų35.70%018%0.177CC..EExtended strand (participates in β ladder)trans-101.9129.7169.3174.959.7000109V94 K96 L123 T126 V127 I130 L145 V167 K168 I169 H170V94-L143 HydrophobicContact CB-CD1 4.42Å; V94-L143 HydrophobicContact CG1-CD1 4.07Å; V94-L143 CarbonylContact O-C 3.58Å; V94-L143 WeakPolarHBondContact O-CA 3.28Å; K96-L143 HydrophobicContact CG-CD1 3.87Å; L123-L143 HydrophobicContact CD1-CD2 4.43Å; T126-L143 HydrophobicContact CG2-CD1 3.95Å; T126-L143 HydrophobicContact CG2-CD2 4.1Å; V127-L143 HydrophobicContact CG2-CD2 4Å; I130-L143 HydrophobicContact CD1-CB 3.77Å; I130-L143 HydrophobicContact CD1-CD1 3.71Å; I130-L143 HydrophobicContact CD1-CD2 4.22Å; I130-L143 HydrophobicContact CD1-CG 4.08Å; L143-L145 HydrophobicContact CD1-CD2 4.11Å; L143-L145 HydrophobicContact CD2-CD2 4.22Å; L143-L145 HydrophobicContact CG-CD2 4.1Å; L143-V167 HydrophobicContact CB-CG2 3.99Å; L143-K168 PolarHBondContact N-O 2.96Å; L143-I169 HydrophobicContact CB-CG1 4.44Å; L143-I169 HydrophobicContact CD2-CG1 4.38Å; L143-I169 HydrophobicContact CD2-CG2 4.44Å; L143-I169 HydrophobicContact CG-CG2 4.47Å; L143-I169 CarbonylContact O-C 3.59Å; L143-I169 VanDerWaalsContact O-CA 3.32Å; L143-I169 WeakPolarHBondContact O-CA 3.34Å; L143-H170 PolarHBondContact O-N 3.1Å
144V98.4Very high95.3Very high0 Ų037.7 Ų37.70%019%0.187CC..EExtended strand (participates in β ladder)trans-118.8127.5175.7-169.80000109.3V93 V94 V95 K96 H170 F172 F214 L219 L223V93-V144 HydrophobicContact CG1-CG2 3.53Å; V94-V144 PolarHBondContact O-N 3.41Å; V95-V144 CarbonylContact C-O 3.52Å; V95-V144 VanDerWaalsContact CA-O 3.3Å; V95-V144 WeakPolarHBondContact CA-O 3.35Å; V95-V144 HydrophobicContact CG1-CB 4.44Å; V95-V144 HydrophobicContact CG2-CB 4.14Å; V95-V144 HydrophobicContact CG2-CG2 4.47Å; K96-V144 PolarHBondContact N-O 3.06Å; V144-H170 CarbonylContact C-O 3.58Å; V144-H170 VanDerWaalsContact CA-O 3.31Å; V144-H170 WeakPolarHBondContact CA-O 3.32Å; V144-H170 HydrophobicContact CG1-CB 4.33Å; V144-H170 HydrophobicContact CG2-CB 4.24Å; V144-F172 HydrophobicContact CG1-CD1 3.52Å; V144-F172 HydrophobicContact CG1-CE1 3.49Å; V144-F172 VanDerWaalsContact CG1-CE1 3.49Å; V144-F214 HydrophobicContact CG1-CE2 4.49Å; V144-L219 HydrophobicContact CG1-CD1 4.25Å; V144-L223 HydrophobicContact CG2-CD1 4.41Å
145L98.3Very high95.2Very high0 Ų037.7 Ų37.70%019%0.187CC..EExtended strand (participates in β ladder)trans-103.6120.4174.8-52178000109.6K96 N98 L123 L143 N147 T155 L159 I169 H170 T171 F172K96-L145 HydrophobicContact CB-CD2 3.94Å; N98-L145 HydrophobicContact CB-CB 4.32Å; L123-L145 HydrophobicContact CD1-CD1 3.85Å; L123-L145 HydrophobicContact CD1-CD2 4.07Å; L123-L145 HydrophobicContact CD2-CD1 4.43Å; L143-L145 HydrophobicContact CD1-CD2 4.11Å; L143-L145 HydrophobicContact CD2-CD2 4.22Å; L143-L145 HydrophobicContact CG-CD2 4.1Å; L145-N147 PolarHBondContact O-N 2.98Å; L145-T155 HydrophobicContact CD1-CG2 3.71Å; L145-L159 HydrophobicContact CD1-CD2 4.14Å; L145-I169 HydrophobicContact CD1-CG2 4.31Å; L145-I169 HydrophobicContact CG-CG2 4.4Å; L145-H170 PolarHBondContact N-O 3.04Å; L145-T171 HydrophobicContact CB-CG2 4.25Å; L145-T171 HydrophobicContact CD1-CG2 4.43Å; L145-T171 WeakPolarHBondContact O-CA 3.39Å; L145-F172 PolarHBondContact O-N 3.19Å; L145-F172 VanDerWaalsContact O-N 3.11Å
146M97.9Very high95.1Very high2 Ų237.1 Ų37.11%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-8698.9169.8179.5-176.2175.800108.4K96 L97 N98 G99 F172 Q174 D209 I210K96-M146 PolarHBondContact O-N 2.75Å; L97-M146 HydrophobicContact CD2-CB 4.35Å; L97-M146 HydrophobicContact CD2-SD 3.57Å; L97-M146 VanDerWaalsContact CD2-SD 3.57Å; N98-M146 CarbonylContact C-O 3.55Å; N98-M146 VanDerWaalsContact CA-O 3.28Å; N98-M146 WeakPolarHBondContact CA-O 3.36Å; N98-M146 WeakPolarHBondContact CB-O 3.2Å; N98-M146 PolarHBondContact N-O 2.94Å; G99-M146 PolarHBondContact N-O 2.76Å; M146-F172 HydrophobicContact CB-CE1 4Å; M146-F172 HydrophobicContact CB-CE2 4.06Å; M146-F172 HydrophobicContact CB-CZ 3.57Å; M146-F172 HydrophobicContact CG-CE2 3.67Å; M146-F172 HydrophobicContact CG-CZ 3.67Å; M146-F172 HydrophobicContact SD-CE2 4.38Å; M146-F172 HydrophobicContact SD-CZ 4.29Å; M146-Q174 HydrophobicContact CE-CB 3.37Å; M146-Q174 HydrophobicContact CE-CG 4.24Å; M146-Q174 HydrophobicContact CG-CB 4.3Å; M146-D209 HydrophobicContact CE-CB 4.36Å; M146-I210 HydrophobicContact CE-CB 4.05Å; M146-I210 HydrophobicContact SD-CB 3.66Å; M146-I210 HydrophobicContact SD-CD1 4.33Å; M146-I210 HydrophobicContact SD-CG1 3.9Å
147N97.1Very high95Very high0 Ų039.3 Ų39.30%019%0.187CC..EExtended strand (participates in β ladder)trans-84.6172.9-178.6-63.8-19.7000111.3N98 L145 D152 F172 N173 Q174N98-N147 PolarHBondContact ND2-OD1 2.85Å; L145-N147 PolarHBondContact O-N 2.98Å; N147-D152 HydrophobicContact CB-CB 3.85Å; N147-D152 PolarHBondContact ND2-OD1 2.66Å; N147-F172 PolarHBondContact N-O 2.87Å; N147-N173 PolarHBondContact O-OD1 2.84Å; N147-Q174 WeakPolarHBondContact O-CG 3.44Å; N147-Q174 PolarHBondContact O-N 3.15Å; N147-Q174 PolarHBondContact O-NE2 3.18Å
148S94.5Very high94.9Very high0 Ų038.1 Ų38.10%019%0.187CC..  trans-118.5168.1162.371.40000109.3G99 N150 T151 D152 N173G99-S148 PolarHBondContact O-OG 3.17Å; S148-N150 PolarHBondContact O-N 3.37Å; S148-N150 PolarHBondContact OG-N 3.36Å; S148-T151 PolarHBondContact N-OG1 3.37Å; S148-T151 PolarHBondContact O-N 3.16Å; S148-T151 PolarHBondContact O-OG1 3.38Å; S148-T151 PolarHBondContact OG-OG1 2.67Å; S148-D152 WeakPolarHBondContact O-CB 3.19Å; S148-D152 PolarHBondContact O-N 2.74Å; S148-N173 WeakPolarHBondContact CA-OD1 3.42Å; S148-N173 PolarHBondContact N-OD1 3.39Å; S148-N173 PolarHBondContact O-OD1 3.12Å
149F91.3Very high94.8Very high41 Ų4133.8 Ų33.818%0.1816%0.163CC..THydrogen-bonded Turntrans-57.2-18.6170.764.8-91.8000113.4N173 R176 M194 W202 P204F149-N173 PolarHBondContact N-OD1 2.79Å; F149-N173 VanDerWaalsContact N-OD1 3.15Å; F149-R176 HydrophobicContact CD1-CB 3.94Å; F149-R176 HydrophobicContact CD1-CG 3.64Å; F149-R176 HydrophobicContact CE1-CB 4.3Å; F149-R176 HydrophobicContact CE1-CG 3.71Å; F149-R176 HydrophobicContact CG-CG 4.29Å; F149-R176 HydrophobicContact CZ-CG 4.39Å; F149-M194 HydrophobicContact CD2-CE 3.69Å; F149-M194 HydrophobicContact CE2-CE 3.68Å; F149-W202 HydrophobicContact CE2-CB 4.36Å; F149-W202 HydrophobicContact CZ-CB 3.94Å; F149-P204 HydrophobicContact CE1-CB 4.49Å
150N90.6Very high94.6Very high67 Ų6740.7 Ų40.736%0.35820%0.195SC..THydrogen-bonded Turntrans-83.6-17.3174.3-62.6-46.9000113.6L101 S148L101-N150 HydrophobicContact CD1-CB 3.99Å; L101-N150 HydrophobicContact CD2-CB 4.02Å; L101-N150 HydrophobicContact CG-CB 4.12Å; S148-N150 PolarHBondContact O-N 3.37Å; S148-N150 PolarHBondContact OG-N 3.36Å
151T93.9Very high94.6Very high0 Ų043.6 Ų43.60%021%0.205CC..THydrogen-bonded Turntrans-123.2-16.7-171.962.30000114.3N98 L101 P110 S148 T155N98-T151 WeakPolarHBondContact O-CB 3.32Å; N98-T151 PolarHBondContact O-OG1 2.89Å; L101-T151 HydrophobicContact CD2-CG2 3.94Å; P110-T151 HydrophobicContact CB-CG2 3.8Å; P110-T151 HydrophobicContact CG-CG2 3.92Å; S148-T151 PolarHBondContact N-OG1 3.37Å; S148-T151 PolarHBondContact O-N 3.16Å; S148-T151 PolarHBondContact O-OG1 3.38Å; S148-T151 PolarHBondContact OG-OG1 2.67Å; T151-T155 WeakPolarHBondContact O-CB 3.29Å; T151-T155 PolarHBondContact O-N 3.39Å; T151-T155 PolarHBondContact O-OG1 2.91Å
152D94.3Very high94.5Very high18 Ų1843.9 Ų43.910%0.09621%0.206CC..Hα-helixtrans-64.4-49.2-169.3-171.152.5000113.3N147 S148 T155 K156N147-D152 HydrophobicContact CB-CB 3.85Å; N147-D152 PolarHBondContact ND2-OD1 2.66Å; S148-D152 WeakPolarHBondContact O-CB 3.19Å; S148-D152 PolarHBondContact O-N 2.74Å; D152-T155 PolarHBondContact O-N 3.31Å; D152-K156 WeakPolarHBondContact O-CB 3.42Å; D152-K156 VanDerWaalsContact O-CG 3.31Å; D152-K156 WeakPolarHBondContact O-CG 3.44Å; D152-K156 PolarHBondContact O-N 2.83Å; D152-K156 VanDerWaalsContact OD1-CE 3.29Å; D152-K156 WeakPolarHBondContact OD1-CE 3.45Å; D152-K156 IonicContact OD1-NZ 3.49Å; D152-K156 VanDerWaalsContact OD2-CE 3.26Å; D152-K156 WeakPolarHBondContact OD2-CE 3.43Å; D152-K156 IonicContact OD2-NZ 2.81Å; D152-K156 PolarHBondContact OD2-NZ 3.3Å
153E92.8Very high94.1Very high138 Ų13848.6 Ų48.665%0.64524%0.235SC*.Hα-helixtrans-62.8-48.1-179.8-67.7-169.7177.500112.3T155 K156 K157E153-T155 VanDerWaalsContact C-N 3.33Å; E153-T155 PolarHBondContact O-N 3.41Å; E153-K156 PolarHBondContact O-N 3.06Å; E153-K157 WeakPolarHBondContact O-CG 3.48Å; E153-K157 PolarHBondContact O-N 3Å
154D93.3Very high93.7Very high61 Ų6157.3 Ų57.333%0.32628%0.275SS..Hα-helixtrans-66-38.2-179.2-70.9-17.2000111.7P110 K157 I158P110-D154 HydrophobicContact CG-CB 3.88Å; D154-K157 IonicContact OD1-NZ 2.62Å; D154-K157 PolarHBondContact OD1-NZ 3.09Å; D154-I158 PolarHBondContact O-N 3.44Å
155T94.3Very high93.4Very high0 Ų060.3 Ų60.30%029%0.289CS..Hα-helixtrans-63.3-48.9174.3-56.80000110.1N98 L145 T151 D152 E153 K157 I158 L159N98-T155 PolarHBondContact ND2-OG1 3.42Å; L145-T155 HydrophobicContact CD1-CG2 3.71Å; T151-T155 WeakPolarHBondContact O-CB 3.29Å; T151-T155 PolarHBondContact O-N 3.39Å; T151-T155 PolarHBondContact O-OG1 2.91Å; D152-T155 PolarHBondContact O-N 3.31Å; E153-T155 VanDerWaalsContact C-N 3.33Å; E153-T155 PolarHBondContact O-N 3.41Å; T155-K157 VanDerWaalsContact C-N 3.34Å; T155-K157 PolarHBondContact O-N 2.84Å; T155-I158 PolarHBondContact O-N 2.95Å; T155-I158 VanDerWaalsContact O-N 3.12Å; T155-L159 HydrophobicContact CG2-CG 4.4Å; T155-L159 WeakPolarHBondContact O-CG 3.28Å; T155-L159 PolarHBondContact O-N 2.8Å; T155-L159 VanDerWaalsContact O-N 3.09Å
156K93.7Very high93.2Very high102 Ų10265 Ų6544%0.44331%0.307SS..Hα-helixtrans-60-39-179.2-78.6171.3175.8168.40113.4D152 E153 I158 L159D152-K156 WeakPolarHBondContact O-CB 3.42Å; D152-K156 VanDerWaalsContact O-CG 3.31Å; D152-K156 WeakPolarHBondContact O-CG 3.44Å; D152-K156 PolarHBondContact O-N 2.83Å; D152-K156 VanDerWaalsContact OD1-CE 3.29Å; D152-K156 WeakPolarHBondContact OD1-CE 3.45Å; D152-K156 IonicContact OD1-NZ 3.49Å; D152-K156 VanDerWaalsContact OD2-CE 3.26Å; D152-K156 WeakPolarHBondContact OD2-CE 3.43Å; D152-K156 IonicContact OD2-NZ 2.81Å; D152-K156 PolarHBondContact OD2-NZ 3.3Å; E153-K156 PolarHBondContact O-N 3.06Å; K156-I158 VanDerWaalsContact C-N 3.25Å; K156-I158 PolarHBondContact O-N 2.73Å; K156-L159 PolarHBondContact O-N 2.96Å
157K93.4Very high93.1Very high124 Ų12465.6 Ų65.654%0.53931%0.311SS..Hα-helixtrans-58.3-39.4176.2-72.3167.4-167.8160.20111.7E153 D154 T155E153-K157 WeakPolarHBondContact O-CG 3.48Å; E153-K157 PolarHBondContact O-N 3Å; D154-K157 IonicContact OD1-NZ 2.62Å; D154-K157 PolarHBondContact OD1-NZ 3.09Å; T155-K157 VanDerWaalsContact C-N 3.34Å; T155-K157 PolarHBondContact O-N 2.84Å
158I92.3Very high93Very high62 Ų6270.8 Ų70.832%0.31833%0.333SS..Hα-helixtrans-84.6-23.6-174.8-65.5167.6000112.2L113 D154 T155 K156 Q160 K161L113-I158 HydrophobicContact CD1-CD1 3.27Å; L113-I158 HydrophobicContact CD2-CB 4.45Å; L113-I158 HydrophobicContact CD2-CD1 3.41Å; L113-I158 VanDerWaalsContact CD2-CD1 3.41Å; L113-I158 HydrophobicContact CD2-CG2 4.16Å; L113-I158 HydrophobicContact CG-CD1 3.92Å; D154-I158 PolarHBondContact O-N 3.44Å; T155-I158 PolarHBondContact O-N 2.95Å; T155-I158 VanDerWaalsContact O-N 3.12Å; K156-I158 VanDerWaalsContact C-N 3.25Å; K156-I158 PolarHBondContact O-N 2.73Å; I158-Q160 PolarHBondContact O-N 3.24Å; I158-K161 WeakPolarHBondContact O-CB 3.21Å; I158-K161 PolarHBondContact O-N 3.44Å
159L93.4Very high93.1Very high29 Ų2972.6 Ų72.615%0.15234%0.343CS..Hα-helixtrans-58-22.9178.8-74.6-178.8000114.2L123 L145 T155 K156 K161 Y162 I169 T171L123-L159 HydrophobicContact CD2-CD2 4.31Å; L145-L159 HydrophobicContact CD1-CD2 4.14Å; T155-L159 HydrophobicContact CG2-CG 4.4Å; T155-L159 WeakPolarHBondContact O-CG 3.28Å; T155-L159 PolarHBondContact O-N 2.8Å; T155-L159 VanDerWaalsContact O-N 3.09Å; K156-L159 PolarHBondContact O-N 2.96Å; L159-K161 PolarHBondContact O-N 3.06Å; L159-K161 VanDerWaalsContact O-N 3.17Å; L159-Y162 HydrophobicContact CD2-CD2 3.96Å; L159-Y162 HydrophobicContact CD2-CE2 4.27Å; L159-Y162 PolarHBondContact O-N 2.92Å; L159-I169 HydrophobicContact CD1-CG2 4.32Å; L159-I169 HydrophobicContact CD2-CD1 4.08Å; L159-I169 HydrophobicContact CD2-CG2 3.79Å; L159-T171 HydrophobicContact CD1-CG2 3.37Å
160Q90.6Very high93.4Very high150 Ų15072.6 Ų72.670%0.70134%0.343SS*.G310 helixtrans-56.5-29.5174.4-62.8-177.7-3.100112.6I158 Y162 T163I158-Q160 PolarHBondContact O-N 3.24Å; Q160-Y162 PolarHBondContact O-N 2.99Å; Q160-T163 PolarHBondContact O-N 3.28Å; Q160-T163 PolarHBondContact O-OG1 3.34Å
161K93.5Very high93.7Very high118 Ų11871.3 Ų71.351%0.51334%0.337SS..G310 helixtrans-56.4-31.2174.5-175.4-176.7176.9-172.90112.6D124 I158 L159D124-K161 VanDerWaalsContact CG-NZ 3.33Å; D124-K161 IonicContact OD1-NZ 3.2Å; D124-K161 PolarHBondContact OD1-NZ 2.99Å; D124-K161 IonicContact OD2-NZ 3.76Å; D124-K161 PolarHBondContact OD2-NZ 3.31Å; I158-K161 WeakPolarHBondContact O-CB 3.21Å; I158-K161 PolarHBondContact O-N 3.44Å; L159-K161 PolarHBondContact O-N 3.06Å; L159-K161 VanDerWaalsContact O-N 3.17Å
162Y94.3Very high93.8Very high7 Ų771.8 Ų71.83%0.02734%0.339CS..G310 helixtrans-97.76.1-172.3-49.6-64.9000114.2L123 D124 V127 L159 Q160 H164 H165 I169L123-Y162 HydrophobicContact CD2-CE2 3.77Å; L123-Y162 HydrophobicContact CG-CE2 3.94Å; D124-Y162 VanDerWaalsContact OD1-CE1 3.31Å; D124-Y162 WeakPolarHBondContact OD1-CE1 3.22Å; D124-Y162 PolarHBondContact OD1-OH 3.17Å; V127-Y162 HydrophobicContact CB-CD1 4.18Å; V127-Y162 HydrophobicContact CB-CE1 4.15Å; V127-Y162 HydrophobicContact CG1-CD1 3.65Å; V127-Y162 HydrophobicContact CG1-CE1 4.07Å; V127-Y162 HydrophobicContact CG1-CG 4.23Å; V127-Y162 HydrophobicContact CG2-CD1 4.09Å; V127-Y162 HydrophobicContact CG2-CD2 4.32Å; V127-Y162 HydrophobicContact CG2-CE1 4.1Å; V127-Y162 HydrophobicContact CG2-CE2 4.35Å; V127-Y162 HydrophobicContact CG2-CG 4.19Å; L159-Y162 HydrophobicContact CD2-CD2 3.96Å; L159-Y162 HydrophobicContact CD2-CE2 4.27Å; L159-Y162 PolarHBondContact O-N 2.92Å; Q160-Y162 PolarHBondContact O-N 2.99Å; Y162-H164 PolarHBondContact O-N 3.33Å; Y162-H164 VanDerWaalsContact O-N 3.11Å; Y162-H165 WeakPolarHBondContact CA-ND1 3.47Å; Y162-H165 WeakPolarHBondContact O-CB 3.49Å; Y162-H165 PolarHBondContact O-N 3.14Å; Y162-I169 HydrophobicContact CD2-CD1 3.82Å; Y162-I169 HydrophobicContact CG-CD1 3.92Å
163T90Very high93.9Very high102 Ų10273.9 Ų73.963%0.62635%0.351SS*.THydrogen-bonded Turntrans-56.4-32.8-175.6-51.80000113.5Q160Q160-T163 PolarHBondContact O-N 3.28Å; Q160-T163 PolarHBondContact O-OG1 3.34Å
164H90.3Very high94Very high182 Ų18268 Ų6884%0.84332%0.324SS*.THydrogen-bonded Turntrans-96.13.1179.7-58-59.1000114.2Y162Y162-H164 PolarHBondContact O-N 3.33Å; Y162-H164 VanDerWaalsContact O-N 3.11Å
165H92.8Very high94.1Very high64 Ų6465.4 Ų65.430%0.29631%0.31SS..SBendtrans-84150.7179.1-67.358.5000110.4V127 E131 Y162 V167V127-H165 HydrophobicContact CG1-CB 4.41Å; E131-H165 IonicContact OE1-CD2 3.09Å; E131-H165 IonicContact OE2-CD2 3.34Å; E131-H165 PolarHBondContact OE2-CD2 3.2Å; E131-H165 VanDerWaalsContact OE2-CD2 3.25Å; Y162-H165 WeakPolarHBondContact CA-ND1 3.47Å; Y162-H165 WeakPolarHBondContact O-CB 3.49Å; Y162-H165 PolarHBondContact O-N 3.14Å; H165-V167 HydrophobicContact CB-CG1 4.04Å; H165-V167 PolarHBondContact O-N 2.92Å
166R93.2Very high94Very high98 Ų9868.2 Ų68.237%0.3732%0.32SS..SBendtrans-78.556.5177.9-164.3-173.6170.7160.10.6112.1E131 N134 K135 N138E131-R166 HydrophobicContact CG-CB 3.99Å; E131-R166 PolarHBondContact OE1-N 3.17Å; E131-R166 VanDerWaalsContact OE1-N 3.14Å; N134-R166 HydrophobicContact CB-CG 4.34Å; N134-R166 PolarHBondContact ND2-O 3.4Å; K135-R166 HydrophobicContact CG-CB 4.42Å; N138-R166 PolarHBondContact OD1-NH2 3.49Å
167V95.1Very high94.1Very high15 Ų1563.9 Ų63.99%0.09130%0.301CS..  trans-148.3132.4175.557.50000110.5V127 I130 L143 H165 I169V127-V167 HydrophobicContact CG1-CG1 3.83Å; I130-V167 HydrophobicContact CB-CG2 4.27Å; I130-V167 HydrophobicContact CG2-CB 4.37Å; I130-V167 HydrophobicContact CG2-CG2 3.68Å; L143-V167 HydrophobicContact CB-CG2 3.99Å; H165-V167 HydrophobicContact CB-CG1 4.04Å; H165-V167 PolarHBondContact O-N 2.92Å; V167-I169 HydrophobicContact CG1-CD1 4.16Å; V167-I169 HydrophobicContact CG1-CG1 4.01Å; V167-I169 HydrophobicContact CG2-CG1 4.16Å; V167-I169 PolarHBondContact O-N 3.25Å
168K95.9Very high94.1Very high108 Ų10858 Ų5847%0.4728%0.276SS..  trans-85.5111.6171.2-71.2177.9-179.4167.10109.2D140 P142 L143D140-K168 WeakPolarHBondContact OD2-CD 3.17Å; D140-K168 WeakPolarHBondContact OD2-CE 3.38Å; D140-K168 IonicContact OD2-NZ 2.87Å; D140-K168 PolarHBondContact OD2-NZ 2.88Å; P142-K168 CarbonylContact C-O 3.58Å; P142-K168 WeakPolarHBondContact CA-O 3.31Å; P142-K168 HydrophobicContact CB-CB 4.37Å; L143-K168 PolarHBondContact N-O 2.96Å
169I97.2Very high94.1Very high39 Ų3956.8 Ų56.820%0.227%0.267CS..EExtended strand (participates in β ladder)trans-99.8126178.6-49.6178000109.5V127 L143 L145 L159 Y162 V167V127-I169 HydrophobicContact CG2-CD1 3.81Å; L143-I169 HydrophobicContact CB-CG1 4.44Å; L143-I169 HydrophobicContact CD2-CG1 4.38Å; L143-I169 HydrophobicContact CD2-CG2 4.44Å; L143-I169 HydrophobicContact CG-CG2 4.47Å; L143-I169 CarbonylContact O-C 3.59Å; L143-I169 VanDerWaalsContact O-CA 3.32Å; L143-I169 WeakPolarHBondContact O-CA 3.34Å; L145-I169 HydrophobicContact CD1-CG2 4.31Å; L145-I169 HydrophobicContact CG-CG2 4.4Å; L159-I169 HydrophobicContact CD1-CG2 4.32Å; L159-I169 HydrophobicContact CD2-CD1 4.08Å; L159-I169 HydrophobicContact CD2-CG2 3.79Å; Y162-I169 HydrophobicContact CD2-CD1 3.82Å; Y162-I169 HydrophobicContact CG-CD1 3.92Å; V167-I169 HydrophobicContact CG1-CD1 4.16Å; V167-I169 HydrophobicContact CG1-CG1 4.01Å; V167-I169 HydrophobicContact CG2-CG1 4.16Å; V167-I169 PolarHBondContact O-N 3.25Å
170H97.1Very high94.2Very high41 Ų4155.4 Ų55.419%0.1926%0.26CS..EExtended strand (participates in β ladder)trans-115.2152.3172.2-62.2-55.9000109.9L143 V144 L145 L219L143-H170 PolarHBondContact O-N 3.1Å; V144-H170 CarbonylContact C-O 3.58Å; V144-H170 VanDerWaalsContact CA-O 3.31Å; V144-H170 WeakPolarHBondContact CA-O 3.32Å; V144-H170 HydrophobicContact CG1-CB 4.33Å; V144-H170 HydrophobicContact CG2-CB 4.24Å; L145-H170 PolarHBondContact N-O 3.04Å; H170-L219 HydrophobicContact CB-CD1 4.23Å; H170-L219 HydrophobicContact CB-CD2 4.46Å
171T96.9Very high94.3Very high39 Ų3950.3 Ų50.324%0.23924%0.236CC..EExtended strand (participates in β ladder)trans-132.3142.5174.658.50000109.3L145 L159L145-T171 HydrophobicContact CB-CG2 4.25Å; L145-T171 HydrophobicContact CD1-CG2 4.43Å; L145-T171 WeakPolarHBondContact O-CA 3.39Å; L159-T171 HydrophobicContact CD1-CG2 3.37Å
172F96.6Very high94.1Very high10 Ų1050.2 Ų50.24%0.04424%0.236CC..EExtended strand (participates in β ladder)trans-137.4152.5162.967.6-81.9000108.8V144 L145 M146 N147 I210 S213 F214 L219V144-F172 HydrophobicContact CG1-CD1 3.52Å; V144-F172 HydrophobicContact CG1-CE1 3.49Å; V144-F172 VanDerWaalsContact CG1-CE1 3.49Å; L145-F172 PolarHBondContact O-N 3.19Å; L145-F172 VanDerWaalsContact O-N 3.11Å; M146-F172 HydrophobicContact CB-CE1 4Å; M146-F172 HydrophobicContact CB-CE2 4.06Å; M146-F172 HydrophobicContact CB-CZ 3.57Å; M146-F172 HydrophobicContact CG-CE2 3.67Å; M146-F172 HydrophobicContact CG-CZ 3.67Å; M146-F172 HydrophobicContact SD-CE2 4.38Å; M146-F172 HydrophobicContact SD-CZ 4.29Å; N147-F172 PolarHBondContact N-O 2.87Å; F172-I210 HydrophobicContact CZ-CG1 4.29Å; F172-S213 WeakPolarHBondContact CE2-OG 3.41Å; F172-F214 HydrophobicContact CD1-CD2 4.1Å; F172-F214 AromaticContact CE1-CD2 3.75Å; F172-F214 HydrophobicContact CE1-CD2 3.75Å; F172-F214 HydrophobicContact CE1-CE2 4.35Å; F172-F214 HydrophobicContact CE1-CG 4.48Å; F172-F214 HydrophobicContact CE2-CB 4.12Å; F172-F214 HydrophobicContact CZ-CB 4.01Å; F172-F214 HydrophobicContact CZ-CD2 4.04Å; F172-F214 HydrophobicContact CZ-CG 4.35Å; F172-L219 HydrophobicContact CB-CD1 3.99Å; F172-L219 HydrophobicContact CD1-CD1 3.95Å; F172-L219 HydrophobicContact CG-CD1 4.35Å
173N95.5Very high93.8Very high63 Ų6357.4 Ų57.434%0.33727%0.269SS..EExtended strand (participates in β ladder)trans-94.4138.8177.5-157.3-0000109.1N147 S148 F149N147-N173 PolarHBondContact O-OD1 2.84Å; S148-N173 WeakPolarHBondContact CA-OD1 3.42Å; S148-N173 PolarHBondContact N-OD1 3.39Å; S148-N173 PolarHBondContact O-OD1 3.12Å; F149-N173 PolarHBondContact N-OD1 2.79Å; F149-N173 VanDerWaalsContact N-OD1 3.15Å
174Q95.5Very high93.8Very high15 Ų1555.2 Ų55.27%0.0726%0.259CS..PPolyproline II helixtrans-74.7163.8169.980.7-164.4-78.700110.8M146 N147 P204 G206 D209M146-Q174 HydrophobicContact CE-CB 3.37Å; M146-Q174 HydrophobicContact CE-CG 4.24Å; M146-Q174 HydrophobicContact CG-CB 4.3Å; N147-Q174 WeakPolarHBondContact O-CG 3.44Å; N147-Q174 PolarHBondContact O-N 3.15Å; N147-Q174 PolarHBondContact O-NE2 3.18Å; Q174-P204 HydrophobicContact CG-CB 4.04Å; Q174-G206 PolarHBondContact OE1-O 3.23Å; Q174-D209 WeakPolarHBondContact CB-OD2 3.41Å
175S95.1Very high93.8Very high5 Ų548.4 Ų48.44%0.03523%0.228CC..PPolyproline II helixtrans-61.5158.5179.7-70.80000112.4D38 P205 D209D38-S175 VanDerWaalsContact OD1-CB 3.28Å; D38-S175 WeakPolarHBondContact OD1-CB 3.47Å; D38-S175 PolarHBondContact OD1-OG 3.22Å; D38-S175 WeakPolarHBondContact OD2-CA 2.84Å; S175-P205 WeakPolarHBondContact O-CD 3.28Å; S175-D209 WeakPolarHBondContact CB-OD2 3.42Å; S175-D209 PolarHBondContact N-OD2 3Å
176R92.4Very high93.7Very high59 Ų5947.8 Ų47.822%0.22323%0.227CC..  trans-122.7113.4179.1179.5-177.464-173.4-4.2110.3D38 F149 M194 W202D38-R176 PolarHBondContact OD2-N 2.74Å; F149-R176 HydrophobicContact CD1-CB 3.94Å; F149-R176 HydrophobicContact CD1-CG 3.64Å; F149-R176 HydrophobicContact CE1-CB 4.3Å; F149-R176 HydrophobicContact CE1-CG 3.71Å; F149-R176 HydrophobicContact CG-CG 4.29Å; F149-R176 HydrophobicContact CZ-CG 4.39Å; R176-M194 PolarHBondContact NH1-SD 3Å; R176-W202 HydrophobicContact CG-CB 3.95Å; R176-W202 HydrophobicContact CG-CD2 4.09Å; R176-W202 HydrophobicContact CG-CE3 3.7Å; R176-W202 HydrophobicContact CG-CG 4.21Å
177Y94.3Very high93.5Very high12 Ų1244 Ų445%0.04722%0.215CC..EExtended strand (participates in β ladder)trans-106.7147.6-177.6-68.8-6.4000112.6D38 G41 F42 L45 W202 Y203 P205D38-Y177 HydrophobicContact CB-CD1 4.5Å; D38-Y177 HydrophobicContact CB-CE1 4.16Å; D38-Y177 WeakPolarHBondContact O-CE1 3.48Å; G41-Y177 VanDerWaalsContact C-OH 3.27Å; G41-Y177 WeakPolarHBondContact CA-OH 3.22Å; F42-Y177 HydrophobicContact CB-CD1 3.77Å; F42-Y177 HydrophobicContact CB-CD2 4.02Å; F42-Y177 HydrophobicContact CB-CE1 3.83Å; F42-Y177 HydrophobicContact CB-CE2 4.07Å; F42-Y177 HydrophobicContact CB-CG 3.89Å; F42-Y177 HydrophobicContact CD2-CD1 4.39Å; F42-Y177 AromaticContact CD2-CD2 3.59Å; F42-Y177 HydrophobicContact CD2-CD2 3.59Å; F42-Y177 HydrophobicContact CD2-CE2 4.3Å; F42-Y177 AromaticContact CD2-CG 3.66Å; F42-Y177 HydrophobicContact CD2-CG 3.66Å; F42-Y177 HydrophobicContact CG-CD1 4.43Å; F42-Y177 HydrophobicContact CG-CD2 4.27Å; F42-Y177 HydrophobicContact CG-CG 4.14Å; F42-Y177 PolarHBondContact N-OH 2.73Å; L45-Y177 HydrophobicContact CD2-CD2 4.33Å; L45-Y177 HydrophobicContact CD2-CE2 4.05Å; Y177-W202 WeakPolarHBondContact O-CA 3.25Å; Y177-Y203 PolarHBondContact N-O 2.89Å; Y177-Y203 WeakPolarHBondContact O-CD1 3.46Å; Y177-Y203 PolarHBondContact O-N 2.55Å; Y177-P205 HydrophobicContact CD2-CB 3.44Å; Y177-P205 VanDerWaalsContact CD2-CB 3.44Å; Y177-P205 HydrophobicContact CD2-CG 3.89Å; Y177-P205 HydrophobicContact CE2-CB 3.53Å; Y177-P205 HydrophobicContact CE2-CG 3.81Å; Y177-P205 HydrophobicContact CG-CB 4.2Å; Y177-P205 HydrophobicContact CG-CG 4.27Å
178P93.3Very high93.2Very high0 Ų045.4 Ų45.40%022%0.224CC..EExtended strand (participates in β ladder)trans-76.7134.5175.730.5-31.3000110.2L20 F42 P187 W202 Y203L20-P178 HydrophobicContact CD2-CG 3.81Å; F42-P178 HydrophobicContact CD1-CG 4.27Å; F42-P178 HydrophobicContact CE1-CG 3.91Å; F42-P178 HydrophobicContact CE2-CG 4.41Å; F42-P178 HydrophobicContact CZ-CG 3.98Å; P178-P187 HydrophobicContact CB-CB 4.1Å; P178-P187 HydrophobicContact CG-CB 4.42Å; P178-W202 HydrophobicContact CB-CE3 4.13Å; P178-W202 HydrophobicContact CB-CH2 4.23Å; P178-W202 HydrophobicContact CB-CZ3 3.81Å; P178-W202 HydrophobicContact CG-CZ3 4.22Å; P178-Y203 WeakPolarHBondContact O-CE1 3.49Å
179R93.9Very high92.5Very high36 Ų3640.7 Ų40.714%0.13620%0.204CC..PPolyproline II helixtrans-61.9145.8171.3-64.3-176.1-168.5166.1-5.3109.1V188 D200 G201 W202 Y203 V349 Q351R179-V188 HydrophobicContact CB-CB 4.44Å; R179-V188 HydrophobicContact CB-CG2 4.29Å; R179-V188 WeakPolarHBondContact O-CG2 3.46Å; R179-V188 PolarHBondContact O-N 3.15Å; R179-D200 WeakPolarHBondContact CD-O 3.4Å; R179-D200 PolarHBondContact NE-O 3.01Å; R179-D200 VanDerWaalsContact NE-O 3.15Å; R179-D200 PolarHBondContact NH1-O 2.8Å; R179-G201 WeakPolarHBondContact CB-O 3.48Å; R179-G201 PolarHBondContact N-O 3.14Å; R179-W202 VanDerWaalsContact CZ-O 3.25Å; R179-W202 PolarHBondContact NE-O 3.03Å; R179-W202 PolarHBondContact NH2-O 3.46Å; R179-Y203 HydrophobicContact CB-CD1 4.42Å; R179-Y203 HydrophobicContact CG-CD1 3.63Å; R179-Y203 HydrophobicContact CG-CE1 4.42Å; R179-Y203 HydrophobicContact CG-CG 4.3Å; R179-V349 HydrophobicContact CB-CB 4.42Å; R179-Q351 HydrophobicContact CG-CG 4.14Å
180I93.9Very high91.5Very high1 Ų142.7 Ų42.71%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-103.8130.9-177-56.6171.9000108.4M16 F42 F46 K182 L185 L186 V349 V350 L352M16-I180 HydrophobicContact CE-CD1 4.43Å; M16-I180 HydrophobicContact CE-CG1 4.34Å; M16-I180 HydrophobicContact CE-CG2 4.39Å; F42-I180 HydrophobicContact CE2-CD1 4Å; F42-I180 HydrophobicContact CE2-CG1 4.24Å; F42-I180 HydrophobicContact CZ-CD1 3.76Å; F42-I180 HydrophobicContact CZ-CG1 3.8Å; F46-I180 HydrophobicContact CD2-CD1 3.76Å; F46-I180 HydrophobicContact CE2-CD1 3.96Å; I180-K182 PolarHBondContact O-N 3.18Å; I180-L185 HydrophobicContact CG2-CB 4.34Å; I180-L185 HydrophobicContact CG2-CD2 4.23Å; I180-L186 CarbonylContact C-O 3.53Å; I180-L186 WeakPolarHBondContact CA-O 3.34Å; I180-V349 CarbonylContact O-C 3.4Å; I180-V349 VanDerWaalsContact O-CA 3.24Å; I180-V349 WeakPolarHBondContact O-CA 3.22Å; I180-V349 WeakPolarHBondContact O-CB 3.4Å; I180-V350 HydrophobicContact CB-CB 4.48Å; I180-V350 PolarHBondContact N-O 2.99Å; I180-V350 PolarHBondContact O-N 3.14Å; I180-L352 HydrophobicContact CD1-CD1 3.67Å; I180-L352 HydrophobicContact CD1-CG 3.96Å
181H92.9Very high90.5Very high43 Ų4343.6 Ų43.620%0.19923%0.233CC..EExtended strand (participates in β ladder)trans-67.1131.4172.7-173.9-78.3000110E183 S184 L185 L186 V188 L347H181-E183 VanDerWaalsContact C-N 3.3Å; H181-E183 IonicContact CE1-OE2 3.57Å; H181-E183 PolarHBondContact ND1-N 3.07Å; H181-E183 VanDerWaalsContact ND1-N 3.19Å; H181-E183 PolarHBondContact O-N 2.89Å; H181-S184 VanDerWaalsContact CB-OG 3.31Å; H181-S184 WeakPolarHBondContact CB-OG 3.45Å; H181-S184 PolarHBondContact ND1-N 3.27Å; H181-S184 PolarHBondContact ND1-OG 2.84Å; H181-L185 VanDerWaalsContact O-CA 3.25Å; H181-L185 WeakPolarHBondContact O-CA 3.42Å; H181-L185 PolarHBondContact O-N 2.81Å; H181-L186 PolarHBondContact N-O 2.81Å; H181-V188 HydrophobicContact CB-CG2 4.14Å; H181-L347 VanDerWaalsContact CD2-CD1 3.47Å; H181-L347 WeakPolarHBondContact CD2-CD1 2.97Å; H181-L347 VanDerWaalsContact NE2-CD1 3.33Å; H181-L347 WeakPolarHBondContact NE2-CD1 3.47Å
182K90.6Very high89.4Confident115 Ų11542.5 Ų42.550%0.523%0.226SC..THydrogen-bonded Turntrans-62.1-35.5-169.7-175.2179.2178-173.80113.7I180 N348 V350I180-K182 PolarHBondContact O-N 3.18Å; K182-N348 HydrophobicContact CB-CB 4.06Å; K182-N348 VanDerWaalsContact CB-O 3.29Å; K182-N348 WeakPolarHBondContact CB-O 3.25Å; K182-N348 HydrophobicContact CD-CB 4.02Å; K182-N348 PolarHBondContact N-O 2.94Å; K182-V350 HydrophobicContact CB-CG2 4.13Å; K182-V350 HydrophobicContact CG-CG2 4.07Å
183E87.8Confident88.2Confident158 Ų15844.4 Ų44.474%0.73824%0.24SC*.THydrogen-bonded Turntrans-89.8-55.9-175.4-60.5172.9177.600112.6H181 L185H181-E183 VanDerWaalsContact C-N 3.3Å; H181-E183 IonicContact CE1-OE2 3.57Å; H181-E183 PolarHBondContact ND1-N 3.07Å; H181-E183 VanDerWaalsContact ND1-N 3.19Å; H181-E183 PolarHBondContact O-N 2.89Å; E183-L185 VanDerWaalsContact C-N 3.29Å; E183-L185 PolarHBondContact O-N 2.63Å
184S89.1Confident86.7Confident57 Ų5744.4 Ų44.440%0.39924%0.239SC..THydrogen-bonded Turntrans-71.2-19.4178.760.40000114.5H181 L186H181-S184 VanDerWaalsContact CB-OG 3.31Å; H181-S184 WeakPolarHBondContact CB-OG 3.45Å; H181-S184 PolarHBondContact ND1-N 3.27Å; H181-S184 PolarHBondContact ND1-OG 2.84Å; S184-L186 PolarHBondContact O-N 3.38Å
185L90.3Very high85.3Confident38 Ų3848.7 Ų48.720%0.19927%0.266CS..  trans56.128.2-172.1-60.2177.8000113.9L12 M16 F46 I180 H181 E183L12-L185 HydrophobicContact CD1-CD1 4.1Å; M16-L185 WeakPolarHBondContact CE-O 3.3Å; F46-L185 HydrophobicContact CZ-CB 4.43Å; I180-L185 HydrophobicContact CG2-CB 4.34Å; I180-L185 HydrophobicContact CG2-CD2 4.23Å; H181-L185 VanDerWaalsContact O-CA 3.25Å; H181-L185 WeakPolarHBondContact O-CA 3.42Å; H181-L185 PolarHBondContact O-N 2.81Å; E183-L185 VanDerWaalsContact C-N 3.29Å; E183-L185 PolarHBondContact O-N 2.63Å
186L90.7Very high84Confident51 Ų5151.4 Ų51.427%0.26730%0.295SS..SBendtrans-106.6161.3176.7-64.2176.9000111.5E19 I180 H181 S184E19-L186 HydrophobicContact CG-CD2 4.43Å; I180-L186 CarbonylContact C-O 3.53Å; I180-L186 WeakPolarHBondContact CA-O 3.34Å; H181-L186 PolarHBondContact N-O 2.81Å; S184-L186 PolarHBondContact O-N 3.38Å
187P90.1Very high82.7Confident20 Ų2057.4 Ų57.413%0.1333%0.325CS..BIsolated β-bridgetrans-57.5139.4174.2-23.435.7000111.9M16 E19 L20 L23 P178M16-P187 WeakPolarHBondContact SD-CD 3.49Å; M16-P187 HydrophobicContact SD-CG 3.46Å; M16-P187 WeakPolarHBondContact SD-CG 3.38Å; E19-P187 HydrophobicContact CB-CG 4.04Å; L20-P187 HydrophobicContact CD2-CG 4.23Å; L23-P187 HydrophobicContact CD1-CB 4.28Å; P178-P187 HydrophobicContact CB-CB 4.1Å; P178-P187 HydrophobicContact CG-CB 4.42Å
188V87.6Confident81.6Confident44 Ų4458 Ų5827%0.26733%0.329SS..SBendtrans-80.5-34174175.90000111.4R179 H181 A190 L347 V349R179-V188 HydrophobicContact CB-CB 4.44Å; R179-V188 HydrophobicContact CB-CG2 4.29Å; R179-V188 WeakPolarHBondContact O-CG2 3.46Å; R179-V188 PolarHBondContact O-N 3.15Å; H181-V188 HydrophobicContact CB-CG2 4.14Å; V188-A190 PolarHBondContact O-N 3.31Å; V188-L347 HydrophobicContact CG1-CD2 3.87Å; V188-L347 HydrophobicContact CG2-CD2 4.34Å; V188-V349 HydrophobicContact CG2-CG1 3.78Å
189A82.4Confident80.9Confident8 Ų859.3 Ų59.37%0.06634%0.34CS..  trans-66.7133.2-179.300000110.5W202A189-W202 HydrophobicContact CB-CD2 4.43Å; A189-W202 HydrophobicContact CB-CH2 4.27Å; A189-W202 HydrophobicContact CB-CZ2 3.56Å
190A75.7Confident80.3Confident81 Ų8161.2 Ų61.267%0.66935%0.353SS*.SBendtrans-95.6-20.9177.700000112.7V188 N198V188-A190 PolarHBondContact O-N 3.31Å; A190-N198 PolarHBondContact N-OD1 3.36Å; A190-N198 VanDerWaalsContact N-OD1 3.14Å
191N76.2Confident79.9Confident60 Ų6061.2 Ų61.232%0.32135%0.353SS..SBendtrans-152.9177175.857.561.7000110.1T26 S193 N198 W202T26-N191 HydrophobicContact CG2-CB 4.34Å; N191-S193 VanDerWaalsContact C-N 3.32Å; N191-S193 WeakPolarHBondContact OD1-CA 3.46Å; N191-S193 WeakPolarHBondContact OD1-CB 3.44Å; N191-S193 PolarHBondContact OD1-N 3.42Å; N191-N198 PolarHBondContact O-ND2 2.88Å; N191-N198 PolarHBondContact OD1-ND2 2.66Å; N191-W202 WeakPolarHBondContact O-CZ2 3.31Å
192L73.1Confident79.8Confident17 Ų1759.1 Ų59.19%0.08934%0.344CS..SBendtrans-84.74.4178.4-77.6163.5000114.4L23 V27 F39 W202L23-L192 WeakPolarHBondContact O-CD1 3.27Å; V27-L192 HydrophobicContact CB-CD1 3.97Å; V27-L192 HydrophobicContact CG2-CB 3.77Å; V27-L192 HydrophobicContact CG2-CD1 3.38Å; V27-L192 HydrophobicContact CG2-CG 4.19Å; F39-L192 HydrophobicContact CZ-CD2 4.24Å; L192-W202 HydrophobicContact CD2-CH2 3.45Å; L192-W202 VanDerWaalsContact CD2-CH2 3.45Å; L192-W202 HydrophobicContact CD2-CZ2 3.61Å; L192-W202 HydrophobicContact CD2-CZ3 4.31Å; L192-W202 HydrophobicContact CG-CH2 4.43Å; L192-W202 HydrophobicContact CG-CZ2 4.33Å
193S71.1Confident80Confident49 Ų4953.8 Ų53.834%0.34332%0.32SS..  trans-67.4133.2-179.3-176.80000112N191 T195 N198N191-S193 VanDerWaalsContact C-N 3.32Å; N191-S193 WeakPolarHBondContact OD1-CA 3.46Å; N191-S193 WeakPolarHBondContact OD1-CB 3.44Å; N191-S193 PolarHBondContact OD1-N 3.42Å; S193-T195 VanDerWaalsContact C-N 3.32Å; S193-T195 PolarHBondContact OG-N 2.85Å; S193-T195 PolarHBondContact OG-OG1 3.43Å; S193-N198 PolarHBondContact O-ND2 3.14Å
194M65.8Low80.3Confident64 Ų6447.8 Ų47.832%0.31530%0.295SS..  trans-9417.7177.9-69.6-56.1-43.400113.5F149 R176 A199 W202F149-M194 HydrophobicContact CD2-CE 3.69Å; F149-M194 HydrophobicContact CE2-CE 3.68Å; R176-M194 PolarHBondContact NH1-SD 3Å; M194-A199 HydrophobicContact CE-CB 3.92Å; M194-A199 WeakPolarHBondContact O-CB 3.44Å; M194-W202 HydrophobicContact SD-CG 4.05Å
195T65.7Low80.5Confident105 Ų10545.1 Ų45.164%0.64428%0.277SS*.SBendtrans-109.6143.8-178.861.90000112.1S193S193-T195 VanDerWaalsContact C-N 3.32Å; S193-T195 PolarHBondContact OG-N 2.85Å; S193-T195 PolarHBondContact OG-OG1 3.43Å
196G66.9Low80.6Confident61 Ų6143.9 Ų43.963%0.62927%0.273SS*.G310 helixtrans67.1-149.717600000112.9N198 A199G196-N198 PolarHBondContact O-N 3.26Å; G196-N198 VanDerWaalsContact O-N 3.09Å; G196-A199 WeakPolarHBondContact O-CB 3.33Å; G196-A199 PolarHBondContact O-N 3.12Å; G196-A199 VanDerWaalsContact O-N 3.12Å
197Q64.6Low80.7Confident186 Ų18644.6 Ų44.687%0.86928%0.275SS*.G310 helixtrans-61.1-20.6-175.5-68.3179.3-14.800113.9A199 D200Q197-A199 VanDerWaalsContact C-N 3.33Å; Q197-D200 PolarHBondContact O-N 3.09Å
198N72.9Confident81Confident24 Ų2443.7 Ų43.713%0.12827%0.269CS..G310 helixtrans-76.2-19.9179.5-164.168.8000113A190 N191 S193 G196 D200 G201A190-N198 PolarHBondContact N-OD1 3.36Å; A190-N198 VanDerWaalsContact N-OD1 3.14Å; N191-N198 PolarHBondContact O-ND2 2.88Å; N191-N198 PolarHBondContact OD1-ND2 2.66Å; S193-N198 PolarHBondContact O-ND2 3.14Å; G196-N198 PolarHBondContact O-N 3.26Å; G196-N198 VanDerWaalsContact O-N 3.09Å; N198-D200 PolarHBondContact O-N 2.86Å; N198-G201 WeakPolarHBondContact O-CA 3.33Å; N198-G201 PolarHBondContact O-N 2.94Å
199A76.7Confident81.4Confident28 Ų2842 Ų4223%0.23126%0.259CS..G310 helixtrans-61.4-35.6173.400000111.7M194 G196 Q197 G201 W202M194-A199 HydrophobicContact CE-CB 3.92Å; M194-A199 WeakPolarHBondContact O-CB 3.44Å; G196-A199 WeakPolarHBondContact O-CB 3.33Å; G196-A199 PolarHBondContact O-N 3.12Å; G196-A199 VanDerWaalsContact O-N 3.12Å; Q197-A199 VanDerWaalsContact C-N 3.33Å; A199-G201 PolarHBondContact O-N 3.49Å; A199-W202 PolarHBondContact O-N 3.48Å
200D81.6Confident82.1Confident75 Ų7541.8 Ų41.840%0.40126%0.256SS..G310 helixtrans-72.3-5.8174.2-67.8-44.7000113.2R179 Q197 N198 W202 L343R179-D200 WeakPolarHBondContact CD-O 3.4Å; R179-D200 PolarHBondContact NE-O 3.01Å; R179-D200 VanDerWaalsContact NE-O 3.15Å; R179-D200 PolarHBondContact NH1-O 2.8Å; Q197-D200 PolarHBondContact O-N 3.09Å; N198-D200 PolarHBondContact O-N 2.86Å; D200-W202 PolarHBondContact O-N 3.15Å; D200-L343 HydrophobicContact CB-CD1 4.47Å
201G86.9Confident83Confident1 Ų138.1 Ų38.11%0.0123%0.225CC..G310 helixtrans-73-11.8170.200000113.5R179 N198 A199R179-G201 WeakPolarHBondContact CB-O 3.48Å; R179-G201 PolarHBondContact N-O 3.14Å; N198-G201 WeakPolarHBondContact O-CA 3.33Å; N198-G201 PolarHBondContact O-N 2.94Å; A199-G201 PolarHBondContact O-N 3.49Å
202W91.1Very high83.9Confident0 Ų036.3 Ų36.30%022%0.218CC..EExtended strand (participates in β ladder)trans-117.9156.6-170-57.893.6000113.3L23 F39 F149 R176 Y177 P178 R179 A189 N191 L192 M194 A199 D200L23-W202 HydrophobicContact CD1-CH2 4.31Å; F39-W202 HydrophobicContact CE1-CH2 4.11Å; F39-W202 AromaticContact CE1-CZ3 3.82Å; F39-W202 HydrophobicContact CE1-CZ3 3.82Å; F39-W202 AromaticContact CZ-CH2 3.8Å; F39-W202 HydrophobicContact CZ-CH2 3.8Å; F39-W202 HydrophobicContact CZ-CZ3 4.01Å; F149-W202 HydrophobicContact CE2-CB 4.36Å; F149-W202 HydrophobicContact CZ-CB 3.94Å; R176-W202 HydrophobicContact CG-CB 3.95Å; R176-W202 HydrophobicContact CG-CD2 4.09Å; R176-W202 HydrophobicContact CG-CE3 3.7Å; R176-W202 HydrophobicContact CG-CG 4.21Å; Y177-W202 WeakPolarHBondContact O-CA 3.25Å; P178-W202 HydrophobicContact CB-CE3 4.13Å; P178-W202 HydrophobicContact CB-CH2 4.23Å; P178-W202 HydrophobicContact CB-CZ3 3.81Å; P178-W202 HydrophobicContact CG-CZ3 4.22Å; R179-W202 VanDerWaalsContact CZ-O 3.25Å; R179-W202 PolarHBondContact NE-O 3.03Å; R179-W202 PolarHBondContact NH2-O 3.46Å; A189-W202 HydrophobicContact CB-CD2 4.43Å; A189-W202 HydrophobicContact CB-CH2 4.27Å; A189-W202 HydrophobicContact CB-CZ2 3.56Å; N191-W202 WeakPolarHBondContact O-CZ2 3.31Å; L192-W202 HydrophobicContact CD2-CH2 3.45Å; L192-W202 VanDerWaalsContact CD2-CH2 3.45Å; L192-W202 HydrophobicContact CD2-CZ2 3.61Å; L192-W202 HydrophobicContact CD2-CZ3 4.31Å; L192-W202 HydrophobicContact CG-CH2 4.43Å; L192-W202 HydrophobicContact CG-CZ2 4.33Å; M194-W202 HydrophobicContact SD-CG 4.05Å; A199-W202 PolarHBondContact O-N 3.48Å; D200-W202 PolarHBondContact O-N 3.15Å
203Y92.9Very high85Confident2 Ų235.8 Ų35.81%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-151.9151.4172.973.1-71.2000111.9Y177 P178 R179 Q351 L352 E353Y177-Y203 PolarHBondContact N-O 2.89Å; Y177-Y203 WeakPolarHBondContact O-CD1 3.46Å; Y177-Y203 PolarHBondContact O-N 2.55Å; P178-Y203 WeakPolarHBondContact O-CE1 3.49Å; R179-Y203 HydrophobicContact CB-CD1 4.42Å; R179-Y203 HydrophobicContact CG-CD1 3.63Å; R179-Y203 HydrophobicContact CG-CE1 4.42Å; R179-Y203 HydrophobicContact CG-CG 4.3Å; Y203-Q351 HydrophobicContact CD1-CB 4.5Å; Y203-Q351 HydrophobicContact CD1-CG 3.98Å; Y203-Q351 HydrophobicContact CD2-CB 3.73Å; Y203-Q351 HydrophobicContact CD2-CG 3.8Å; Y203-Q351 HydrophobicContact CE1-CB 4.44Å; Y203-Q351 HydrophobicContact CE1-CG 4.31Å; Y203-Q351 HydrophobicContact CE2-CB 3.67Å; Y203-Q351 HydrophobicContact CE2-CG 4.16Å; Y203-Q351 HydrophobicContact CG-CB 4.17Å; Y203-Q351 HydrophobicContact CG-CG 3.73Å; Y203-L352 VanDerWaalsContact CE2-O 3.32Å; Y203-L352 WeakPolarHBondContact CE2-O 3.47Å; Y203-L352 PolarHBondContact OH-N 2.97Å; Y203-L352 PolarHBondContact OH-O 3.04Å; Y203-E353 HydrophobicContact CD2-CG 4.22Å; Y203-E353 HydrophobicContact CE2-CG 3.9Å
204P94.5Very high86.2Confident32 Ų3233.5 Ų33.521%0.20820%0.2CC..  trans-75134.9167.429.1-31000109.8F149 Q174 G206F149-P204 HydrophobicContact CE1-CB 4.49Å; Q174-P204 HydrophobicContact CG-CB 4.04Å; P204-G206 PolarHBondContact O-N 2.83Å
205P94.2Very high87.6Confident2 Ų233.9 Ų33.91%0.01320%0.198CC..  trans-75.731.3-17428.2-32.4000115.6S175 Y177 D209 E353 T354S175-P205 WeakPolarHBondContact O-CD 3.28Å; Y177-P205 HydrophobicContact CD2-CB 3.44Å; Y177-P205 VanDerWaalsContact CD2-CB 3.44Å; Y177-P205 HydrophobicContact CD2-CG 3.89Å; Y177-P205 HydrophobicContact CE2-CB 3.53Å; Y177-P205 HydrophobicContact CE2-CG 3.81Å; Y177-P205 HydrophobicContact CG-CB 4.2Å; Y177-P205 HydrophobicContact CG-CG 4.27Å; P205-D209 HydrophobicContact CG-CB 3.72Å; P205-E353 WeakPolarHBondContact O-CA 3.48Å; P205-T354 PolarHBondContact O-N 2.95Å; P205-T354 VanDerWaalsContact O-N 3.13Å
206G92.8Very high88.9Confident12 Ų1232.1 Ų32.112%0.12419%0.185CC..  trans72.2176.7-176.200000113Q174 P204 G208 D209Q174-G206 PolarHBondContact OE1-O 3.23Å; P204-G206 PolarHBondContact O-N 2.83Å; G206-G208 PolarHBondContact O-N 2.93Å; G206-D209 PolarHBondContact O-N 3.44Å
207H93Very high90.2Very high66 Ų6631.5 Ų31.531%0.30617%0.171SC..G310 helixtrans-73.3-11.7-173.35046.8000114.4L97 D209 I210 A355 V356L97-H207 HydrophobicContact CD1-CB 3.81Å; L97-H207 HydrophobicContact CD2-CB 4.37Å; H207-D209 PolarHBondContact O-N 2.87Å; H207-I210 WeakPolarHBondContact O-CB 3.04Å; H207-I210 VanDerWaalsContact O-CG2 3.27Å; H207-I210 WeakPolarHBondContact O-CG2 3.44Å; H207-I210 PolarHBondContact O-N 3.48Å; H207-A355 WeakPolarHBondContact CE1-CA 3.45Å; H207-A355 WeakPolarHBondContact ND1-CA 3.44Å; H207-V356 HydrophobicContact CB-CG1 4.35Å; H207-V356 PolarHBondContact CE1-N 3.3Å; H207-V356 VanDerWaalsContact CE1-N 3.34Å; H207-V356 PolarHBondContact ND1-N 3.04Å
208G94.4Very high91.6Very high1 Ų124.3 Ų24.31%0.0115%0.147CC..G310 helixtrans-66.2-19.6174.700000113.9G206 I210 Y211 T354G206-G208 PolarHBondContact O-N 2.93Å; G208-I210 PolarHBondContact O-N 2.94Å; G208-I210 VanDerWaalsContact O-N 3.14Å; G208-Y211 VanDerWaalsContact O-CD2 3.23Å; G208-Y211 WeakPolarHBondContact O-CD2 3.39Å; G208-T354 WeakPolarHBondContact CA-O 3.44Å; G208-T354 WeakPolarHBondContact CA-OG1 3.28Å; G208-T354 PolarHBondContact N-O 3.48Å
209D96.1Very high92.8Very high9 Ų924.1 Ų24.15%0.04815%0.146CC..G310 helixtrans-67.9-9.3176.1-174.164.6000114.3M146 Q174 S175 P205 G206 H207 Y211 A212 S213M146-D209 HydrophobicContact CE-CB 4.36Å; Q174-D209 WeakPolarHBondContact CB-OD2 3.41Å; S175-D209 WeakPolarHBondContact CB-OD2 3.42Å; S175-D209 PolarHBondContact N-OD2 3Å; P205-D209 HydrophobicContact CG-CB 3.72Å; G206-D209 PolarHBondContact O-N 3.44Å; H207-D209 PolarHBondContact O-N 2.87Å; D209-Y211 PolarHBondContact O-N 3.31Å; D209-Y211 VanDerWaalsContact O-N 3.08Å; D209-A212 PolarHBondContact O-N 2.65Å; D209-A212 VanDerWaalsContact O-N 3.16Å; D209-S213 PolarHBondContact O-N 3.17Å; D209-S213 PolarHBondContact O-OG 3.23Å; D209-S213 WeakPolarHBondContact OD2-CB 3.06Å; D209-S213 PolarHBondContact OD2-OG 3.42Å
210I97Very high93.7Very high2 Ų222.8 Ų22.81%0.0114%0.135CC..Hα-helixtrans-48.9-39.2176.4-171.8172.5000112.2V95 L97 M146 F172 H207 G208 F214 V233 V356V95-I210 HydrophobicContact CG1-CD1 4.1Å; L97-I210 HydrophobicContact CD2-CD1 4.22Å; M146-I210 HydrophobicContact CE-CB 4.05Å; M146-I210 HydrophobicContact SD-CB 3.66Å; M146-I210 HydrophobicContact SD-CD1 4.33Å; M146-I210 HydrophobicContact SD-CG1 3.9Å; F172-I210 HydrophobicContact CZ-CG1 4.29Å; H207-I210 WeakPolarHBondContact O-CB 3.04Å; H207-I210 VanDerWaalsContact O-CG2 3.27Å; H207-I210 WeakPolarHBondContact O-CG2 3.44Å; H207-I210 PolarHBondContact O-N 3.48Å; G208-I210 PolarHBondContact O-N 2.94Å; G208-I210 VanDerWaalsContact O-N 3.14Å; I210-F214 WeakPolarHBondContact O-CB 3.34Å; I210-F214 PolarHBondContact O-N 3.47Å; I210-V233 HydrophobicContact CD1-CG1 3.89Å; I210-V233 HydrophobicContact CD1-CG2 3.83Å; I210-V356 HydrophobicContact CG2-CB 4.2Å; I210-V356 HydrophobicContact CG2-CG2 3.61Å
211Y96.4Very high94.4Very high5 Ų522.1 Ų22.12%0.0213%0.131CC..Hα-helixtrans-67.2-45.3-176.6-54.7-66.4000112.4G208 D209 Y215 F262 I318 I323 M332 M334 V356 A359 F363G208-Y211 VanDerWaalsContact O-CD2 3.23Å; G208-Y211 WeakPolarHBondContact O-CD2 3.39Å; D209-Y211 PolarHBondContact O-N 3.31Å; D209-Y211 VanDerWaalsContact O-N 3.08Å; Y211-Y215 WeakPolarHBondContact O-CB 3.39Å; Y211-Y215 PolarHBondContact O-N 3.08Å; Y211-F262 WeakPolarHBondContact OH-CE2 3.42Å; Y211-I318 HydrophobicContact CE1-CD1 4.06Å; Y211-I323 HydrophobicContact CD1-CD1 4.45Å; Y211-I323 HydrophobicContact CD1-CG1 4.14Å; Y211-I323 HydrophobicContact CD1-CG2 4.13Å; Y211-I323 HydrophobicContact CE1-CG1 4.32Å; Y211-M332 HydrophobicContact CD1-CE 3.34Å; Y211-M332 HydrophobicContact CD2-CE 4.12Å; Y211-M332 HydrophobicContact CD2-SD 4.35Å; Y211-M332 HydrophobicContact CE1-CE 3.79Å; Y211-M332 HydrophobicContact CG-CE 3.52Å; Y211-M332 HydrophobicContact CG-SD 4.3Å; Y211-M334 HydrophobicContact CD2-CE 4.07Å; Y211-M334 HydrophobicContact CD2-SD 3.95Å; Y211-M334 HydrophobicContact CE2-CE 4.47Å; Y211-M334 HydrophobicContact CE2-SD 3.74Å; Y211-V356 HydrophobicContact CE2-CG2 4.16Å; Y211-V356 VanDerWaalsContact OH-CG2 3.29Å; Y211-V356 WeakPolarHBondContact OH-CG2 3.22Å; Y211-V356 PolarHBondContact OH-O 3.49Å; Y211-A359 HydrophobicContact CD2-CB 4.46Å; Y211-A359 HydrophobicContact CE2-CB 3.51Å; Y211-A359 WeakPolarHBondContact OH-CB 3.42Å; Y211-F363 HydrophobicContact CE1-CE2 4.41Å; Y211-F363 HydrophobicContact CE1-CZ 4.09Å
212A94.9Very high94.9Very high22 Ų2227.1 Ų27.118%0.18215%0.153CC..Hα-helixtrans-73.5-49.3-179.100000111.3D209 F214 Y215 N216D209-A212 PolarHBondContact O-N 2.65Å; D209-A212 VanDerWaalsContact O-N 3.16Å; A212-F214 PolarHBondContact O-N 2.99Å; A212-Y215 PolarHBondContact O-N 3.2Å; A212-N216 VanDerWaalsContact O-CB 3.32Å; A212-N216 WeakPolarHBondContact O-CB 3.25Å; A212-N216 PolarHBondContact O-N 3.15Å; A212-N216 PolarHBondContact O-ND2 3.41Å
213S95.4Very high95.2Very high5 Ų527.2 Ų27.24%0.03515%0.153CC..Hα-helixtrans-66.2-38-178.9530000112.8F172 D209 N216 S217F172-S213 WeakPolarHBondContact CE2-OG 3.41Å; D209-S213 PolarHBondContact O-N 3.17Å; D209-S213 PolarHBondContact O-OG 3.23Å; D209-S213 WeakPolarHBondContact OD2-CB 3.06Å; D209-S213 PolarHBondContact OD2-OG 3.42Å; S213-N216 PolarHBondContact O-N 3.3Å; S213-S217 WeakPolarHBondContact O-CB 3.4Å; S213-S217 PolarHBondContact O-N 3.39Å
214F95.9Very high95.4Very high2 Ų229.5 Ų29.51%0.00917%0.165CC..Hα-helixtrans-68.1-39.1176.6-171.1-137000112.3V144 F172 I210 A212 S217 L219 L220 L223 I231 L320V144-F214 HydrophobicContact CG1-CE2 4.49Å; F172-F214 HydrophobicContact CD1-CD2 4.1Å; F172-F214 AromaticContact CE1-CD2 3.75Å; F172-F214 HydrophobicContact CE1-CD2 3.75Å; F172-F214 HydrophobicContact CE1-CE2 4.35Å; F172-F214 HydrophobicContact CE1-CG 4.48Å; F172-F214 HydrophobicContact CE2-CB 4.12Å; F172-F214 HydrophobicContact CZ-CB 4.01Å; F172-F214 HydrophobicContact CZ-CD2 4.04Å; F172-F214 HydrophobicContact CZ-CG 4.35Å; I210-F214 WeakPolarHBondContact O-CB 3.34Å; I210-F214 PolarHBondContact O-N 3.47Å; A212-F214 PolarHBondContact O-N 2.99Å; F214-S217 PolarHBondContact O-OG 2.94Å; F214-L219 HydrophobicContact CD2-CB 4.05Å; F214-L219 HydrophobicContact CE2-CB 3.68Å; F214-L220 HydrophobicContact CD1-CB 4.16Å; F214-L220 HydrophobicContact CD1-CD1 3.72Å; F214-L220 HydrophobicContact CE1-CB 4.25Å; F214-L220 HydrophobicContact CE1-CD1 3.56Å; F214-L223 HydrophobicContact CE2-CD1 3.91Å; F214-L223 HydrophobicContact CZ-CD1 3.53Å; F214-I231 HydrophobicContact CE1-CG2 4.13Å; F214-I231 HydrophobicContact CZ-CG2 4.37Å; F214-L320 HydrophobicContact CE1-CD2 3.61Å; F214-L320 HydrophobicContact CZ-CD2 4.13Å
215Y95.4Very high95.6Very high72 Ų7232.1 Ų32.128%0.28219%0.189SC..Hα-helixtrans-62.5-51.7171.3179-91.4000111.3Y211 A212 S217 G218 L220 Q327 E328Y211-Y215 WeakPolarHBondContact O-CB 3.39Å; Y211-Y215 PolarHBondContact O-N 3.08Å; A212-Y215 PolarHBondContact O-N 3.2Å; Y215-S217 PolarHBondContact O-N 2.97Å; Y215-G218 PolarHBondContact O-N 3.4Å; Y215-L220 HydrophobicContact CD2-CD2 3.74Å; Y215-L220 HydrophobicContact CG-CD2 4.48Å; Y215-Q327 HydrophobicContact CD1-CG 4.24Å; Y215-Q327 HydrophobicContact CD2-CB 4.39Å; Y215-Q327 HydrophobicContact CD2-CG 4.1Å; Y215-Q327 HydrophobicContact CG-CG 3.83Å; Y215-E328 HydrophobicContact CE2-CG 3.99Å
216N92.9Very high95.6Very high67 Ų6736.6 Ų36.636%0.35821%0.21SC..Hα-helixtrans-62.7-27-178.1-71.8-22.5000113.4A212 S213 G218A212-N216 VanDerWaalsContact O-CB 3.32Å; A212-N216 WeakPolarHBondContact O-CB 3.25Å; A212-N216 PolarHBondContact O-N 3.15Å; A212-N216 PolarHBondContact O-ND2 3.41Å; S213-N216 PolarHBondContact O-N 3.3Å; N216-G218 PolarHBondContact O-N 3.25Å
217S94.2Very high95.8Very high48 Ų4838.1 Ų38.134%0.33623%0.226SC..THydrogen-bonded Turntrans-69.6-15.3176.676.80000114.2S213 F214 Y215 L219S213-S217 WeakPolarHBondContact O-CB 3.4Å; S213-S217 PolarHBondContact O-N 3.39Å; F214-S217 PolarHBondContact O-OG 2.94Å; Y215-S217 PolarHBondContact O-N 2.97Å; S217-L219 PolarHBondContact O-N 2.82Å; S217-L219 VanDerWaalsContact O-N 3.14Å; S217-L219 WeakPolarHBondContact OG-CB 2.98Å; S217-L219 WeakPolarHBondContact OG-CG 3.39Å; S217-L219 PolarHBondContact OG-N 3.26Å; S217-L219 VanDerWaalsContact OG-N 3.16Å
218G95.3Very high96Very high35 Ų3535.8 Ų35.836%0.36122%0.215SC..SBendtrans70.6-3.9-171.800000114.4Y215 N216 L220 K222Y215-G218 PolarHBondContact O-N 3.4Å; N216-G218 PolarHBondContact O-N 3.25Å; G218-L220 VanDerWaalsContact C-N 3.3Å; G218-L220 PolarHBondContact O-N 2.94Å; G218-K222 PolarHBondContact O-N 3.09Å
219L96.4Very high96.1Very high21 Ų2137.7 Ų37.711%0.1122%0.224CC..Hα-helixtrans-66.2-34.2176.2-68.9177.2000111.8V144 H170 F172 F214 S217 D221 K222 L223V144-L219 HydrophobicContact CG1-CD1 4.25Å; H170-L219 HydrophobicContact CB-CD1 4.23Å; H170-L219 HydrophobicContact CB-CD2 4.46Å; F172-L219 HydrophobicContact CB-CD1 3.99Å; F172-L219 HydrophobicContact CD1-CD1 3.95Å; F172-L219 HydrophobicContact CG-CD1 4.35Å; F214-L219 HydrophobicContact CD2-CB 4.05Å; F214-L219 HydrophobicContact CE2-CB 3.68Å; S217-L219 PolarHBondContact O-N 2.82Å; S217-L219 VanDerWaalsContact O-N 3.14Å; S217-L219 WeakPolarHBondContact OG-CB 2.98Å; S217-L219 WeakPolarHBondContact OG-CG 3.39Å; S217-L219 PolarHBondContact OG-N 3.26Å; S217-L219 VanDerWaalsContact OG-N 3.16Å; L219-D221 PolarHBondContact O-N 2.98Å; L219-K222 PolarHBondContact O-N 2.93Å; L219-L223 HydrophobicContact CB-CD1 4.49Å; L219-L223 WeakPolarHBondContact O-CB 3.39Å; L219-L223 WeakPolarHBondContact O-CD1 3.17Å; L219-L223 WeakPolarHBondContact O-CG 3.34Å; L219-L223 PolarHBondContact O-N 3.03Å
220L96.8Very high96.2Very high0 Ų037.3 Ų37.30%022%0.221CC..Hα-helixtrans-54.6-54.5176.9-178.372.9000111.1F214 Y215 G218 K222 L223 I224 L320 I323 K324F214-L220 HydrophobicContact CD1-CB 4.16Å; F214-L220 HydrophobicContact CD1-CD1 3.72Å; F214-L220 HydrophobicContact CE1-CB 4.25Å; F214-L220 HydrophobicContact CE1-CD1 3.56Å; Y215-L220 HydrophobicContact CD2-CD2 3.74Å; Y215-L220 HydrophobicContact CG-CD2 4.48Å; G218-L220 VanDerWaalsContact C-N 3.3Å; G218-L220 PolarHBondContact O-N 2.94Å; L220-K222 PolarHBondContact O-N 3.29Å; L220-L223 PolarHBondContact O-N 2.68Å; L220-I224 HydrophobicContact CD1-CD1 4.25Å; L220-I224 HydrophobicContact CG-CD1 4.03Å; L220-I224 VanDerWaalsContact O-CG1 3.3Å; L220-I224 WeakPolarHBondContact O-CG1 3.29Å; L220-I224 PolarHBondContact O-N 3.13Å; L220-L320 HydrophobicContact CD1-CB 4.47Å; L220-L320 HydrophobicContact CD1-CD2 3.37Å; L220-I323 HydrophobicContact CD1-CB 4.34Å; L220-I323 HydrophobicContact CD1-CG2 4.15Å; L220-I323 HydrophobicContact CD2-CG2 4.17Å; L220-K324 HydrophobicContact CD2-CB 3.86Å; L220-K324 HydrophobicContact CD2-CG 4.38Å
221D96.8Very high96.2Very high61 Ų6137.2 Ų37.233%0.32622%0.221SC..Hα-helixtrans-64.5-41.1179.8-72.2-44.1000112.2L219 L223 I224 A225 K324L219-D221 PolarHBondContact O-N 2.98Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.8Å; D221-I224 PolarHBondContact O-N 3.02Å; D221-A225 VanDerWaalsContact O-CB 3.31Å; D221-A225 WeakPolarHBondContact O-CB 3.48Å; D221-A225 PolarHBondContact O-N 3.45Å; D221-K324 WeakPolarHBondContact OD1-CE 3.24Å; D221-K324 IonicContact OD1-NZ 2.69Å; D221-K324 PolarHBondContact OD1-NZ 3.01Å
222K97.3Very high96.3Very high106 Ų10637 Ų3746%0.46122%0.22SC..Hα-helixtrans-60.2-42.6177.2-175.8177.9-179.81780112G218 L219 L220 A225 Q226G218-K222 PolarHBondContact O-N 3.09Å; L219-K222 PolarHBondContact O-N 2.93Å; L220-K222 PolarHBondContact O-N 3.29Å; K222-A225 PolarHBondContact O-N 3.02Å; K222-Q226 VanDerWaalsContact O-CG 3.26Å; K222-Q226 WeakPolarHBondContact O-CG 3.43Å; K222-Q226 PolarHBondContact O-N 3.13Å; K222-Q226 VanDerWaalsContact O-N 3.14Å
223L97Very high96.5Very high2 Ų236 Ų361%0.0121%0.211CC..Hα-helixtrans-72.8-39.7-179.5-69.9165.4000111.3V93 P142 V144 F214 L219 L220 D221 A225 Q226 G227 K228 L320V93-L223 HydrophobicContact CG1-CD1 4.09Å; V93-L223 HydrophobicContact CG2-CB 4.46Å; V93-L223 HydrophobicContact CG2-CD1 4.17Å; V93-L223 HydrophobicContact CG2-CD2 3.9Å; V93-L223 HydrophobicContact CG2-CG 4.4Å; P142-L223 HydrophobicContact CG-CD2 4.07Å; V144-L223 HydrophobicContact CG2-CD1 4.41Å; F214-L223 HydrophobicContact CE2-CD1 3.91Å; F214-L223 HydrophobicContact CZ-CD1 3.53Å; L219-L223 HydrophobicContact CB-CD1 4.49Å; L219-L223 WeakPolarHBondContact O-CB 3.39Å; L219-L223 WeakPolarHBondContact O-CD1 3.17Å; L219-L223 WeakPolarHBondContact O-CG 3.34Å; L219-L223 PolarHBondContact O-N 3.03Å; L220-L223 PolarHBondContact O-N 2.68Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.8Å; L223-A225 VanDerWaalsContact C-N 3.32Å; L223-A225 PolarHBondContact O-N 2.8Å; L223-Q226 WeakPolarHBondContact O-CB 3.39Å; L223-Q226 PolarHBondContact O-N 2.92Å; L223-Q226 VanDerWaalsContact O-N 3.15Å; L223-G227 PolarHBondContact O-N 2.67Å; L223-K228 HydrophobicContact CB-CB 4.23Å; L223-K228 HydrophobicContact CB-CG 4.18Å; L223-K228 HydrophobicContact CD2-CG 4.18Å; L223-K228 WeakPolarHBondContact O-CB 3.42Å; L223-K228 VanDerWaalsContact O-CG 3.27Å; L223-K228 WeakPolarHBondContact O-CG 3.16Å; L223-K228 PolarHBondContact O-N 2.99Å; L223-L320 HydrophobicContact CB-CD1 4.42Å
224I97Very high96.6Very high49 Ų4935.7 Ų35.725%0.25121%0.21SC..Hα-helixtrans-60.1-44.7172.5-68.8168.5000110.4L220 D221 Q226 G227 L320 K324L220-I224 HydrophobicContact CD1-CD1 4.25Å; L220-I224 HydrophobicContact CG-CD1 4.03Å; L220-I224 VanDerWaalsContact O-CG1 3.3Å; L220-I224 WeakPolarHBondContact O-CG1 3.29Å; L220-I224 PolarHBondContact O-N 3.13Å; D221-I224 PolarHBondContact O-N 3.02Å; I224-Q226 PolarHBondContact O-N 3.29Å; I224-G227 PolarHBondContact O-N 3.27Å; I224-L320 HydrophobicContact CD1-CB 4.14Å; I224-L320 HydrophobicContact CG1-CB 3.76Å; I224-L320 HydrophobicContact CG1-CD1 4.5Å; I224-K324 HydrophobicContact CD1-CB 4.3Å; I224-K324 HydrophobicContact CD1-CD 4.17Å
225A97.3Very high96.7Very high88 Ų8837.1 Ų37.173%0.72722%0.217SC*.Hα-helixtrans-63.6-25.9177.300000113.3D221 K222 L223 G227D221-A225 VanDerWaalsContact O-CB 3.31Å; D221-A225 WeakPolarHBondContact O-CB 3.48Å; D221-A225 PolarHBondContact O-N 3.45Å; K222-A225 PolarHBondContact O-N 3.02Å; L223-A225 VanDerWaalsContact C-N 3.32Å; L223-A225 PolarHBondContact O-N 2.8Å; A225-G227 PolarHBondContact O-N 2.78Å
226Q95.8Very high96.7Very high95 Ų9534 Ų3444%0.44421%0.206SC..THydrogen-bonded Turntrans-79.53.4172.2-71.2171.510.700113.5K222 L223 I224 K228K222-Q226 VanDerWaalsContact O-CG 3.26Å; K222-Q226 WeakPolarHBondContact O-CG 3.43Å; K222-Q226 PolarHBondContact O-N 3.13Å; K222-Q226 VanDerWaalsContact O-N 3.14Å; L223-Q226 WeakPolarHBondContact O-CB 3.39Å; L223-Q226 PolarHBondContact O-N 2.92Å; L223-Q226 VanDerWaalsContact O-N 3.15Å; I224-Q226 PolarHBondContact O-N 3.29Å; Q226-K228 HydrophobicContact CB-CG 4.37Å
227G96.1Very high96.8Very high44 Ų4431.4 Ų31.445%0.45419%0.191SC..THydrogen-bonded Turntrans79.816.7-178.400000114.1L223 I224 A225L223-G227 PolarHBondContact O-N 2.67Å; I224-G227 PolarHBondContact O-N 3.27Å; A225-G227 PolarHBondContact O-N 2.78Å
228K96.9Very high96.9Very high17 Ų1729.2 Ų29.27%0.07418%0.176CC..  trans-75.8138.7172.8-52.7-59.5-174173.10109.9N90 V93 D140 L223 Q226 L320N90-K228 WeakPolarHBondContact O-CD 3.49Å; N90-K228 WeakPolarHBondContact O-CE 3.49Å; N90-K228 PolarHBondContact O-NZ 3.31Å; V93-K228 HydrophobicContact CG2-CB 3.71Å; V93-K228 HydrophobicContact CG2-CD 3.96Å; V93-K228 HydrophobicContact CG2-CG 3.58Å; D140-K228 PolarHBondContact O-NZ 3.02Å; L223-K228 HydrophobicContact CB-CB 4.23Å; L223-K228 HydrophobicContact CB-CG 4.18Å; L223-K228 HydrophobicContact CD2-CG 4.18Å; L223-K228 WeakPolarHBondContact O-CB 3.42Å; L223-K228 VanDerWaalsContact O-CG 3.27Å; L223-K228 WeakPolarHBondContact O-CG 3.16Å; L223-K228 PolarHBondContact O-N 2.99Å; Q226-K228 HydrophobicContact CB-CG 4.37Å; K228-L320 HydrophobicContact CB-CD1 3.57Å; K228-L320 WeakPolarHBondContact O-CD1 3.36Å
229E96.5Very high96.9Very high42 Ų4227.9 Ų27.920%0.19616%0.161CC..  trans-116.6-31.8-175.2-68.6-161.1-134.600113.7K91 R259 S319 L320K91-E229 HydrophobicContact CB-CB 4.21Å; K91-E229 HydrophobicContact CB-CG 4.31Å; K91-E229 HydrophobicContact CD-CG 4.31Å; K91-E229 VanDerWaalsContact CD-OE1 3.27Å; K91-E229 WeakPolarHBondContact CD-OE1 3.43Å; K91-E229 WeakPolarHBondContact CE-OE1 3.32Å; K91-E229 HydrophobicContact CG-CG 4.35Å; K91-E229 IonicContact NZ-OE1 2.72Å; K91-E229 PolarHBondContact NZ-OE1 2.84Å; K91-E229 PolarHBondContact O-N 3.11Å; E229-R259 IonicContact OE2-CZ 3.57Å; E229-R259 IonicContact OE2-NH1 3.23Å; E229-R259 PolarHBondContact OE2-NH1 2.82Å; E229-R259 IonicContact OE2-NH2 2.73Å; E229-R259 PolarHBondContact OE2-NH2 3.34Å; E229-S319 WeakPolarHBondContact O-CA 3.3Å; E229-L320 PolarHBondContact O-N 3.02Å
230Y97.9Very high96.8Very high0 Ų027.1 Ų27.10%016%0.158CC..EExtended strand (participates in β ladder)trans-131.9144.3-175-72.6-84.4000111.6K91 V93 L251 R259 C260 I318K91-Y230 PolarHBondContact O-N 3.1Å; V93-Y230 PolarHBondContact N-O 3.32Å; Y230-L251 HydrophobicContact CD1-CD1 4.41Å; Y230-L251 HydrophobicContact CE1-CB 4.43Å; Y230-L251 HydrophobicContact CE1-CD2 4.23Å; Y230-L251 HydrophobicContact CE2-CB 4.34Å; Y230-R259 WeakPolarHBondContact OH-CG 3.43Å; Y230-C260 WeakPolarHBondContact CE1-O 3.38Å; Y230-C260 PolarHBondContact OH-O 3.42Å; Y230-I318 CarbonylContact C-O 3.57Å; Y230-I318 WeakPolarHBondContact CA-O 3.45Å
231I98.3Very high96.8Very high1 Ų127.2 Ų27.21%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-104.8140.4163.663.8175.1000110.1V93 V95 F214 V233 W317 I318 L320 I323V93-I231 HydrophobicContact CB-CG2 4.13Å; V93-I231 HydrophobicContact CG1-CG2 4.43Å; V93-I231 CarbonylContact O-C 3.52Å; V93-I231 VanDerWaalsContact O-CA 3.31Å; V93-I231 WeakPolarHBondContact O-CA 3.32Å; V95-I231 HydrophobicContact CG2-CB 3.87Å; V95-I231 HydrophobicContact CG2-CD1 4.45Å; V95-I231 HydrophobicContact CG2-CG2 4.05Å; F214-I231 HydrophobicContact CE1-CG2 4.13Å; F214-I231 HydrophobicContact CZ-CG2 4.37Å; I231-V233 HydrophobicContact CD1-CG2 3.58Å; I231-V233 HydrophobicContact CG1-CG2 3.9Å; I231-W317 CarbonylContact O-C 3.17Å; I231-W317 VanDerWaalsContact O-CA 3.31Å; I231-W317 WeakPolarHBondContact O-CA 3.39Å; I231-I318 HydrophobicContact CD1-CB 4.24Å; I231-I318 HydrophobicContact CD1-CD1 4.44Å; I231-I318 HydrophobicContact CG1-CB 3.8Å; I231-I318 HydrophobicContact CG1-CG1 4.43Å; I231-I318 PolarHBondContact N-O 2.72Å; I231-I318 PolarHBondContact O-N 3.11Å; I231-L320 HydrophobicContact CG2-CD1 4.24Å; I231-L320 HydrophobicContact CG2-CD2 3.47Å; I231-L320 VanDerWaalsContact CG2-CD2 3.47Å; I231-L320 HydrophobicContact CG2-CG 3.77Å; I231-I323 HydrophobicContact CD1-CD1 3.54Å; I231-I323 HydrophobicContact CG1-CD1 4.17Å
232F98.6Very high96.8Very high0 Ų026.1 Ų26.10%015%0.154CC..EExtended strand (participates in β ladder)trans-105105.6166.4171.2-126.6000109.2L92 V93 V94 V95 A241 V243 N315 L316 W317L92-F232 HydrophobicContact CD1-CB 3.98Å; V93-F232 PolarHBondContact O-N 3.36Å; V94-F232 HydrophobicContact CG1-CD1 4.24Å; V95-F232 PolarHBondContact N-O 3.01Å; V95-F232 VanDerWaalsContact O-O 3.1Å; F232-A241 HydrophobicContact CZ-CB 4.11Å; F232-V243 HydrophobicContact CD1-CG2 4.25Å; F232-N315 HydrophobicContact CE2-CB 4Å; F232-N315 HydrophobicContact CZ-CB 4.44Å; F232-L316 CarbonylContact C-O 3.59Å; F232-L316 WeakPolarHBondContact CA-O 3.29Å; F232-W317 HydrophobicContact CB-CD2 4.26Å; F232-W317 HydrophobicContact CB-CE3 3.9Å; F232-W317 HydrophobicContact CB-CH2 4.36Å; F232-W317 HydrophobicContact CB-CZ3 3.95Å; F232-W317 AromaticContact CD2-CD2 3.72Å; F232-W317 HydrophobicContact CD2-CD2 3.72Å; F232-W317 AromaticContact CD2-CE2 3.41Å; F232-W317 VanDerWaalsContact CD2-CE2 3.41Å; F232-W317 HydrophobicContact CD2-CE3 4.17Å; F232-W317 HydrophobicContact CD2-CG 4.21Å; F232-W317 HydrophobicContact CD2-CH2 4.15Å; F232-W317 AromaticContact CD2-CZ2 3.66Å; F232-W317 HydrophobicContact CD2-CZ2 3.66Å; F232-W317 HydrophobicContact CD2-CZ3 4.37Å; F232-W317 AromaticContact CD2-NE1 3.7Å; F232-W317 HydrophobicContact CE2-CD2 4.49Å; F232-W317 AromaticContact CE2-CE2 3.76Å; F232-W317 AromaticContact CE2-CZ2 3.86Å; F232-W317 HydrophobicContact CE2-CZ2 3.86Å; F232-W317 AromaticContact CE2-NE1 3.76Å; F232-W317 HydrophobicContact CG-CD2 4.31Å; F232-W317 HydrophobicContact CG-CE3 4.31Å; F232-W317 HydrophobicContact CG-CH2 4.15Å; F232-W317 HydrophobicContact CG-CZ2 4.12Å; F232-W317 HydrophobicContact CG-CZ3 4.24Å; F232-W317 HydrophobicContact CZ-CZ2 4.48Å
233V98.6Very high96.8Very high0 Ų022.3 Ų22.30%014%0.14CC..EExtended strand (participates in β ladder)trans-94.7129.9-179.3-173.30000109.7V95 L97 I210 I231 N315 L316 I318V95-V233 HydrophobicContact CB-CG2 4.21Å; V95-V233 WeakPolarHBondContact O-CA 3.29Å; L97-V233 HydrophobicContact CD1-CG1 4.18Å; L97-V233 HydrophobicContact CD2-CG1 3.92Å; L97-V233 HydrophobicContact CG-CG1 3.96Å; I210-V233 HydrophobicContact CD1-CG1 3.89Å; I210-V233 HydrophobicContact CD1-CG2 3.83Å; I231-V233 HydrophobicContact CD1-CG2 3.58Å; I231-V233 HydrophobicContact CG1-CG2 3.9Å; V233-N315 CarbonylContact O-C 3.49Å; V233-N315 WeakPolarHBondContact O-CA 3.03Å; V233-L316 HydrophobicContact CB-CB 4.28Å; V233-L316 PolarHBondContact N-O 3.25Å; V233-L316 PolarHBondContact O-N 3.03Å; V233-I318 HydrophobicContact CG2-CD1 4.17Å
234S98.2Very high96.8Very high0 Ų022.9 Ų22.90%014%0.143CC..EExtended strand (participates in β ladder)trans-153163.2171.3480000111.9V95 K96 L97 A241V95-S234 PolarHBondContact O-N 3.4Å; K96-S234 WeakPolarHBondContact CA-O 3.36Å; K96-S234 WeakPolarHBondContact CD-OG 3.39Å; K96-S234 WeakPolarHBondContact CE-OG 3.38Å; K96-S234 PolarHBondContact NZ-OG 3.29Å; L97-S234 PolarHBondContact N-O 3.18Å; S234-A241 VanDerWaalsContact CB-CB 3.48Å
235N97.1Very high96.7Very high31 Ų3121.8 Ų21.817%0.16614%0.137CC..EExtended strand (participates in β ladder)trans-70140.6173.4-61.9-31.7000110.4L97 D237 N238 N314L97-N235 WeakPolarHBondContact CD1-OD1 3.42Å; N235-D237 VanDerWaalsContact CB-OD1 3.24Å; N235-D237 WeakPolarHBondContact CB-OD1 2.96Å; N235-D237 PolarHBondContact O-N 3.2Å; N235-N238 HydrophobicContact CB-CB 4.33Å; N235-N238 PolarHBondContact O-N 3.21Å; N235-N314 PolarHBondContact OD1-ND2 2.68Å
236I95.1Very high96.6Very high8 Ų820 Ų204%0.04111%0.114CC..THydrogen-bonded Turntrans-64.7-25.7175-16562.4000112.5K96 L97 F122 T126 N238K96-I236 HydrophobicContact CB-CB 4.33Å; K96-I236 HydrophobicContact CB-CD1 3.88Å; K96-I236 HydrophobicContact CD-CD1 4.24Å; K96-I236 HydrophobicContact CG-CD1 3.83Å; L97-I236 WeakPolarHBondContact O-CG2 3.43Å; L97-I236 PolarHBondContact O-N 3.34Å; F122-I236 HydrophobicContact CB-CG1 4.03Å; F122-I236 WeakPolarHBondContact CD1-O 3.31Å; T126-I236 HydrophobicContact CG2-CD1 4.4Å; T126-I236 VanDerWaalsContact OG1-CD1 3.3Å; T126-I236 WeakPolarHBondContact OG1-CD1 3.33Å; I236-N238 VanDerWaalsContact C-N 3.34Å
237D94.9Very high96.6Very high11 Ų1115.5 Ų15.56%0.0599%0.093CC..THydrogen-bonded Turntrans-87.41.8178.368.55000114.2K111 F122 N235 P378 V379 K380K111-D237 HydrophobicContact CD-CB 4.1Å; K111-D237 WeakPolarHBondContact CE-OD2 3.36Å; K111-D237 IonicContact NZ-OD2 3.69Å; K111-D237 PolarHBondContact NZ-OD2 3.05Å; F122-D237 HydrophobicContact CE1-CB 4.24Å; F122-D237 HydrophobicContact CZ-CB 4.42Å; N235-D237 VanDerWaalsContact CB-OD1 3.24Å; N235-D237 WeakPolarHBondContact CB-OD1 2.96Å; N235-D237 PolarHBondContact O-N 3.2Å; D237-P378 CarbonylContact O-C 3.57Å; D237-P378 WeakPolarHBondContact O-CA 3.47Å; D237-V379 PolarHBondContact O-N 2.86Å; D237-K380 IonicContact OD1-NZ 3.93Å; D237-K380 PolarHBondContact OD1-NZ 2.94Å; D237-K380 WeakPolarHBondContact OD2-CD 3.26Å; D237-K380 IonicContact OD2-NZ 2.86Å; D237-K380 PolarHBondContact OD2-NZ 3.46Å
238N96.8Very high96.5Very high3 Ų313.5 Ų13.52%0.0167%0.072CC..BIsolated β-bridgetrans-94.6101169-176.97.2000109.9N235 I236 G240 A241 N315 R375 L377N235-N238 HydrophobicContact CB-CB 4.33Å; N235-N238 PolarHBondContact O-N 3.21Å; I236-N238 VanDerWaalsContact C-N 3.34Å; N238-G240 VanDerWaalsContact C-N 3.27Å; N238-G240 PolarHBondContact O-N 3.13Å; N238-G240 PolarHBondContact OD1-N 2.89Å; N238-G240 VanDerWaalsContact OD1-N 3.11Å; N238-A241 HydrophobicContact CB-CB 4.11Å; N238-A241 WeakPolarHBondContact O-CB 3.44Å; N238-A241 PolarHBondContact O-N 3.45Å; N238-N315 PolarHBondContact ND2-OD1 3.46Å; N238-R375 PolarHBondContact ND2-O 3.35Å; N238-R375 VanDerWaalsContact ND2-O 3.11Å; N238-L377 VanDerWaalsContact OD1-C 3.31Å; N238-L377 PolarHBondContact OD1-N 2.89Å; N238-L377 PolarHBondContact OD1-O 3.39Å
239L95.5Very high96.3Very high6 Ų614.5 Ų14.53%0.0318%0.077CC..THydrogen-bonded Turntrans-73.8-19.8-178.2-65172.1000113V116 F122 L125 A241 L377 V379 V388 L400V116-L239 HydrophobicContact CG1-CD1 3.65Å; F122-L239 HydrophobicContact CD1-CD1 4.49Å; F122-L239 HydrophobicContact CD1-CD2 3.54Å; F122-L239 HydrophobicContact CD1-CG 4.05Å; F122-L239 HydrophobicContact CE1-CD1 4.06Å; F122-L239 HydrophobicContact CE1-CD2 3.94Å; F122-L239 HydrophobicContact CE1-CG 3.94Å; L125-L239 HydrophobicContact CD1-CD2 3.69Å; L239-A241 VanDerWaalsContact C-N 3.3Å; L239-L377 HydrophobicContact CB-CD2 4.31Å; L239-L377 PolarHBondContact N-O 3.45Å; L239-V379 HydrophobicContact CD1-CG2 3.7Å; L239-V379 HydrophobicContact CG-CG2 4.31Å; L239-V388 HydrophobicContact CD1-CB 4.24Å; L239-V388 HydrophobicContact CD1-CG1 4.11Å; L239-V388 HydrophobicContact CD1-CG2 4.23Å; L239-L400 HydrophobicContact CB-CD1 4.15Å; L239-L400 HydrophobicContact CD1-CD1 3.52Å; L239-L400 HydrophobicContact CG-CD1 4.36Å
240G95.2Very high96Very high6 Ų613.3 Ų13.36%0.0627%0.071CC..THydrogen-bonded Turntrans-78.1-14175.200000113.5N238 T242 S374 R375N238-G240 VanDerWaalsContact C-N 3.27Å; N238-G240 PolarHBondContact O-N 3.13Å; N238-G240 PolarHBondContact OD1-N 2.89Å; N238-G240 VanDerWaalsContact OD1-N 3.11Å; G240-T242 PolarHBondContact O-N 3.16Å; G240-S374 WeakPolarHBondContact CA-O 3.46Å; G240-R375 CarbonylContact C-O 3.57Å; G240-R375 VanDerWaalsContact O-CA 3.32Å; G240-R375 WeakPolarHBondContact O-CA 3.19Å
241A96.9Very high95.7Very high1 Ų113.4 Ų13.41%0.0087%0.072CC..  trans-79.565.6-177.700000112.6K96 F232 S234 N238 L239 N315K96-A241 PolarHBondContact NZ-O 3.38Å; F232-A241 HydrophobicContact CZ-CB 4.11Å; S234-A241 VanDerWaalsContact CB-CB 3.48Å; N238-A241 HydrophobicContact CB-CB 4.11Å; N238-A241 WeakPolarHBondContact O-CB 3.44Å; N238-A241 PolarHBondContact O-N 3.45Å; L239-A241 VanDerWaalsContact C-N 3.3Å; A241-N315 VanDerWaalsContact CB-OD1 3.3Å; A241-N315 WeakPolarHBondContact CB-OD1 3.49Å
242T96.7Very high95.2Very high38 Ų3815 Ų1523%0.2338%0.081CC..  trans-85.3161.4172.662.90000110.9G240 D244 R375G240-T242 PolarHBondContact O-N 3.16Å; T242-D244 PolarHBondContact O-N 3.21Å; T242-R375 VanDerWaalsContact O-CZ 3.29Å; T242-R375 PolarHBondContact O-NH1 3.19Å; T242-R375 PolarHBondContact O-NH2 3.48Å; T242-R375 PolarHBondContact OG1-NH1 2.8Å
243V97.2Very high94.5Very high26 Ų2617.5 Ų17.516%0.15810%0.099CC..  trans-69.3114.2173.11760000109.3L89 L92 V94 L133 F232 W317L89-V243 HydrophobicContact CD2-CG1 4.07Å; L92-V243 HydrophobicContact CD2-CB 4.48Å; L92-V243 HydrophobicContact CD2-CG1 3.48Å; L92-V243 VanDerWaalsContact CD2-CG1 3.48Å; L92-V243 HydrophobicContact CD2-CG2 4.12Å; V94-V243 HydrophobicContact CG2-CG2 3.52Å; L133-V243 HydrophobicContact CD1-CB 3.94Å; L133-V243 HydrophobicContact CD1-CG1 4.1Å; L133-V243 HydrophobicContact CD1-CG2 4.37Å; F232-V243 HydrophobicContact CD1-CG2 4.25Å; V243-W317 HydrophobicContact CG1-CH2 4.35Å
244D96.8Very high93.6Very high14 Ų1420.2 Ų20.28%0.07511%0.112CC..  trans-90.5118.7176.8-165.8-67.2000111.1Y73 T242 H246 I247 L248 W317 R375Y73-D244 WeakPolarHBondContact CE2-OD2 3.21Å; Y73-D244 VanDerWaalsContact CZ-OD2 3.28Å; Y73-D244 PolarHBondContact OH-OD1 3.37Å; Y73-D244 PolarHBondContact OH-OD2 3.14Å; T242-D244 PolarHBondContact O-N 3.21Å; D244-H246 WeakPolarHBondContact OD1-CA 3.35Å; D244-H246 WeakPolarHBondContact OD1-CB 3.3Å; D244-H246 IonicContact OD1-CG 3.39Å; D244-H246 PolarHBondContact OD1-N 3.49Å; D244-H246 IonicContact OD1-ND1 2.72Å; D244-I247 HydrophobicContact CB-CB 4.11Å; D244-I247 HydrophobicContact CB-CD1 3.89Å; D244-I247 HydrophobicContact CB-CG1 4Å; D244-I247 PolarHBondContact OD1-N 3.03Å; D244-L248 WeakPolarHBondContact O-CB 3.25Å; D244-L248 PolarHBondContact O-N 3.33Å; D244-W317 HydrophobicContact CB-CZ2 4.29Å; D244-R375 IonicContact OD2-NH1 2.67Å
245L95.3Very high92.1Very high26 Ų2623.5 Ų23.514%0.13613%0.133CC..Hα-helixtrans-71.6-28.8-177.2-59.8-178.2000113L81 V85 L89 Y137 H249L81-L245 HydrophobicContact CD2-CB 3.59Å; L81-L245 HydrophobicContact CD2-CD1 4.27Å; V85-L245 HydrophobicContact CG1-CD1 3.89Å; V85-L245 HydrophobicContact CG1-CD2 3.92Å; V85-L245 HydrophobicContact CG1-CG 4.49Å; L89-L245 HydrophobicContact CD1-CD2 4.33Å; L89-L245 HydrophobicContact CD2-CD2 3.79Å; L89-L245 HydrophobicContact CG-CD2 4.19Å; Y137-L245 HydrophobicContact CE2-CD1 4.15Å; Y137-L245 WeakPolarHBondContact OH-CD1 3.23Å; L245-H249 WeakPolarHBondContact O-CB 3.32Å; L245-H249 PolarHBondContact O-N 2.95Å
246H94.9Very high90.8Very high51 Ų5128.1 Ų28.124%0.23616%0.158CC..Hα-helixtrans-73.5-43.3178.6-52.899.4000110.6Y73 I76 D244 H249 H250Y73-H246 PolarHBondContact OH-ND1 3.4Å; I76-H246 HydrophobicContact CG2-CB 4.19Å; I76-H246 WeakPolarHBondContact CG2-O 3.42Å; D244-H246 WeakPolarHBondContact OD1-CA 3.35Å; D244-H246 WeakPolarHBondContact OD1-CB 3.3Å; D244-H246 IonicContact OD1-CG 3.39Å; D244-H246 PolarHBondContact OD1-N 3.49Å; D244-H246 IonicContact OD1-ND1 2.72Å; H246-H249 PolarHBondContact O-N 3.22Å; H246-H250 PolarHBondContact O-N 2.72Å
247I95.3Very high89.8Confident0 Ų031 Ų310%019%0.189CC..Hα-helixtrans-63.3-46.6174.5-60.5176.3000110Y73 D244 H249 H250 L251 E265 W317 I369 V371Y73-I247 HydrophobicContact CD2-CD1 4.28Å; Y73-I247 HydrophobicContact CD2-CG1 4.25Å; Y73-I247 HydrophobicContact CE2-CD1 4.16Å; Y73-I247 HydrophobicContact CE2-CG1 4.02Å; D244-I247 HydrophobicContact CB-CB 4.11Å; D244-I247 HydrophobicContact CB-CD1 3.89Å; D244-I247 HydrophobicContact CB-CG1 4Å; D244-I247 PolarHBondContact OD1-N 3.03Å; I247-H249 VanDerWaalsContact C-N 3.3Å; I247-H249 PolarHBondContact O-N 2.98Å; I247-H250 WeakPolarHBondContact O-CB 3.37Å; I247-H250 PolarHBondContact O-N 2.92Å; I247-L251 HydrophobicContact CG2-CD1 4.27Å; I247-L251 WeakPolarHBondContact O-CG 3.42Å; I247-L251 PolarHBondContact O-N 3.01Å; I247-E265 HydrophobicContact CD1-CG 4.16Å; I247-W317 HydrophobicContact CB-CZ2 4.11Å; I247-W317 HydrophobicContact CG2-CD2 4Å; I247-W317 HydrophobicContact CG2-CG 4.26Å; I247-W317 HydrophobicContact CG2-CZ2 3.96Å; I247-I369 HydrophobicContact CB-CD1 4.48Å; I247-I369 HydrophobicContact CD1-CD1 4.47Å; I247-I369 HydrophobicContact CG1-CD1 4.15Å; I247-I369 HydrophobicContact CG2-CD1 3.77Å; I247-V371 HydrophobicContact CD1-CG1 4.01Å
248L94.8Very high89.1Confident2 Ų237.2 Ų37.21%0.0122%0.216CC..Hα-helixtrans-58.9-43.2176.7179.162.6000111.8L89 L92 D244 H250 L251 V252 W317L89-L248 HydrophobicContact CD2-CD2 3.68Å; L89-L248 HydrophobicContact CG-CD2 4.2Å; L92-L248 HydrophobicContact CB-CD1 4.19Å; L92-L248 HydrophobicContact CB-CD2 4.44Å; L92-L248 HydrophobicContact CD1-CD1 4.22Å; L92-L248 HydrophobicContact CD2-CD1 4.34Å; L92-L248 HydrophobicContact CD2-CD2 4.08Å; L92-L248 HydrophobicContact CG-CD1 4.48Å; D244-L248 WeakPolarHBondContact O-CB 3.25Å; D244-L248 PolarHBondContact O-N 3.33Å; L248-H250 VanDerWaalsContact C-N 3.35Å; L248-H250 PolarHBondContact O-N 3.34Å; L248-L251 PolarHBondContact O-N 3.06Å; L248-V252 HydrophobicContact CD1-CG2 4.05Å; L248-V252 HydrophobicContact CG-CG2 4.49Å; L248-V252 WeakPolarHBondContact O-CG2 3.37Å; L248-V252 PolarHBondContact O-N 2.81Å; L248-W317 HydrophobicContact CB-CH2 4.42Å; L248-W317 HydrophobicContact CB-CZ3 4.14Å; L248-W317 HydrophobicContact CD1-CZ3 4.26Å
249H91.8Very high88.7Confident39 Ų3940.5 Ų40.518%0.18123%0.228CC..Hα-helixtrans-61.7-43.2176.6179.148000112.1P82 L245 H246 I247 L251 V252 S253P82-H249 WeakPolarHBondContact CB-ND1 3.41Å; P82-H249 HydrophobicContact CG-CB 4.12Å; L245-H249 WeakPolarHBondContact O-CB 3.32Å; L245-H249 PolarHBondContact O-N 2.95Å; H246-H249 PolarHBondContact O-N 3.22Å; I247-H249 VanDerWaalsContact C-N 3.3Å; I247-H249 PolarHBondContact O-N 2.98Å; H249-L251 VanDerWaalsContact C-N 3.28Å; H249-L251 PolarHBondContact O-N 2.91Å; H249-V252 PolarHBondContact O-N 3.29Å; H249-S253 VanDerWaalsContact O-CB 3.22Å; H249-S253 WeakPolarHBondContact O-CB 3.38Å; H249-S253 PolarHBondContact O-N 3.16Å; H249-S253 PolarHBondContact O-OG 3.2Å
250H90.9Very high88.5Confident16 Ų1640.7 Ų40.77%0.07423%0.229CC..Hα-helixtrans-57.3-42.6175.8-171.7102.2000112.3Q71 I76 R79 H246 I247 L248Q71-H250 PolarHBondContact OE1-CE1 3.27Å; I76-H250 HydrophobicContact CG2-CB 3.81Å; R79-H250 PolarHBondContact NH1-CE1 3.11Å; R79-H250 PolarHBondContact NH1-ND1 2.96Å; H246-H250 PolarHBondContact O-N 2.72Å; I247-H250 WeakPolarHBondContact O-CB 3.37Å; I247-H250 PolarHBondContact O-N 2.92Å; L248-H250 VanDerWaalsContact C-N 3.35Å; L248-H250 PolarHBondContact O-N 3.34Å
251L91.2Very high88.6Confident3 Ų341.2 Ų41.22%0.01623%0.23CC..Hα-helixtrans-66.7-44.8178.8-69.4171.3000112.5Y230 I247 L248 H249 Q254 C260 V263 W317Y230-L251 HydrophobicContact CD1-CD1 4.41Å; Y230-L251 HydrophobicContact CE1-CB 4.43Å; Y230-L251 HydrophobicContact CE1-CD2 4.23Å; Y230-L251 HydrophobicContact CE2-CB 4.34Å; I247-L251 HydrophobicContact CG2-CD1 4.27Å; I247-L251 WeakPolarHBondContact O-CG 3.42Å; I247-L251 PolarHBondContact O-N 3.01Å; L248-L251 PolarHBondContact O-N 3.06Å; H249-L251 VanDerWaalsContact C-N 3.28Å; H249-L251 PolarHBondContact O-N 2.91Å; L251-Q254 WeakPolarHBondContact O-CG 3.24Å; L251-C260 HydrophobicContact CD2-CB 4.22Å; L251-V263 HydrophobicContact CD2-CB 4.44Å; L251-V263 HydrophobicContact CD2-CG2 3.45Å; L251-V263 VanDerWaalsContact CD2-CG2 3.45Å; L251-W317 HydrophobicContact CD1-CB 3.54Å; L251-W317 HydrophobicContact CD1-CD2 3.86Å; L251-W317 HydrophobicContact CD1-CE3 3.71Å; L251-W317 HydrophobicContact CD1-CG 3.83Å
252V88.7Confident88.6Confident34 Ų3441.1 Ų41.121%0.20623%0.23CC..Hα-helixtrans-78.6-36.7-174.9175.90000112.3K91 L248 H249 Q254K91-V252 HydrophobicContact CD-CG1 4.2Å; L248-V252 HydrophobicContact CD1-CG2 4.05Å; L248-V252 HydrophobicContact CG-CG2 4.49Å; L248-V252 WeakPolarHBondContact O-CG2 3.37Å; L248-V252 PolarHBondContact O-N 2.81Å; H249-V252 PolarHBondContact O-N 3.29Å; V252-Q254 VanDerWaalsContact C-N 3.34Å; V252-Q254 PolarHBondContact O-N 3.17Å
253S83.4Confident88.6Confident53 Ų5339.3 Ų39.337%0.37122%0.219SC..Hα-helixtrans-73.9-22.3-177580000114.1H249H249-S253 VanDerWaalsContact O-CB 3.22Å; H249-S253 WeakPolarHBondContact O-CB 3.38Å; H249-S253 PolarHBondContact O-N 3.16Å; H249-S253 PolarHBondContact O-OG 3.2Å
254Q78.6Confident88.6Confident57 Ų5738.1 Ų38.127%0.26621%0.211SC..  trans43.359.6178.6-59.3-175.66.800113.9L251 V252 N256 G257 R259L251-Q254 WeakPolarHBondContact O-CG 3.24Å; V252-Q254 VanDerWaalsContact C-N 3.34Å; V252-Q254 PolarHBondContact O-N 3.17Å; Q254-N256 PolarHBondContact O-N 2.65Å; Q254-G257 PolarHBondContact O-N 3.12Å; Q254-R259 VanDerWaalsContact NE2-CG 3.33Å
255P67.6Low88.7Confident69 Ų6937.4 Ų37.445%0.44821%0.208SC..THydrogen-bonded Turntrans-62.9-19.9-166.715.9-22.4000114.5
256N70.5Confident88.8Confident128 Ų12836.2 Ų36.268%0.68420%0.201SC*.THydrogen-bonded Turntrans-98.711.3177.9-62-8.2000112.9Q254 K258Q254-N256 PolarHBondContact O-N 2.65Å; N256-K258 PolarHBondContact O-N 3.18Å; N256-K258 VanDerWaalsContact O-N 3.12Å
257G73.8Confident88.9Confident68 Ų6834 Ų3470%0.70119%0.191SC*.SBendtrans66.57.9-174.600000114.5Q254Q254-G257 PolarHBondContact O-N 3.12Å
258K79.9Confident88.8Confident142 Ų14238.3 Ų38.362%0.61722%0.215SC*.  trans-115.4122.4179.3-67.8-173.8-178.6-177.70110.1N256 C260N256-K258 PolarHBondContact O-N 3.18Å; N256-K258 VanDerWaalsContact O-N 3.12Å; K258-C260 PolarHBondContact O-N 3.02Å
259R87.1Confident88.6Confident71 Ų7139.2 Ų39.227%0.26822%0.218SC..  trans-66.6121.4171.2-175.4171.3-169.3141.611.5109.7E229 Y230 Q254 S319 N365E229-R259 IonicContact OE2-CZ 3.57Å; E229-R259 IonicContact OE2-NH1 3.23Å; E229-R259 PolarHBondContact OE2-NH1 2.82Å; E229-R259 IonicContact OE2-NH2 2.73Å; E229-R259 PolarHBondContact OE2-NH2 3.34Å; Y230-R259 WeakPolarHBondContact OH-CG 3.43Å; Q254-R259 VanDerWaalsContact NE2-CG 3.33Å; R259-S319 PolarHBondContact NE-OG 2.75Å; R259-N365 WeakPolarHBondContact O-CB 3.32Å; R259-N365 PolarHBondContact O-ND2 2.96Å
260C92.8Very high88.4Confident10 Ų1039.6 Ų39.67%0.06822%0.224CC..  trans-79.5125.3165.5-176.80000108.9Y230 L251 K258 F262 V263 N365Y230-C260 WeakPolarHBondContact CE1-O 3.38Å; Y230-C260 PolarHBondContact OH-O 3.42Å; L251-C260 HydrophobicContact CD2-CB 4.22Å; K258-C260 PolarHBondContact O-N 3.02Å; C260-F262 PolarHBondContact SG-O 2.86Å; C260-F262 VanDerWaalsContact SG-O 3.34Å; C260-V263 HydrophobicContact CB-CG2 4.43Å; C260-V263 WeakPolarHBondContact SG-CG2 3.26Å; C260-N365 PolarHBondContact SG-O 3.49Å
261E95.8Very high87.9Confident17 Ų1750.2 Ų50.28%0.07926%0.263CS..  trans-93-21.5-179.8-58.4-171.4146.200113.5I318 S319 A322 R325 F363 D364E261-I318 WeakPolarHBondContact O-CA 3.35Å; E261-S319 WeakPolarHBondContact O-CB 3.25Å; E261-S319 PolarHBondContact O-N 2.68Å; E261-A322 HydrophobicContact CB-CB 3.85Å; E261-A322 HydrophobicContact CG-CB 3.99Å; E261-R325 IonicContact OE1-CZ 3.22Å; E261-R325 VanDerWaalsContact OE1-CZ 3.27Å; E261-R325 IonicContact OE1-NH1 2.74Å; E261-R325 PolarHBondContact OE1-NH1 2.94Å; E261-R325 IonicContact OE1-NH2 3.75Å; E261-R325 PolarHBondContact OE1-NH2 2.81Å; E261-R325 IonicContact OE2-CZ 2.8Å; E261-R325 IonicContact OE2-NH2 2.98Å; E261-R325 PolarHBondContact OE2-NH2 2.9Å; E261-F363 HydrophobicContact CB-CB 4.16Å; E261-F363 HydrophobicContact CB-CD1 3.87Å; E261-F363 HydrophobicContact CB-CG 4.5Å; E261-D364 WeakPolarHBondContact CB-O 3.48Å; E261-D364 HydrophobicContact CG-CB 4.49Å; E261-D364 WeakPolarHBondContact CG-O 3.49Å; E261-D364 PolarHBondContact N-O 2.94Å; E261-D364 PolarHBondContact OE2-N 3.27Å
262F97.3Very high87.3Confident0 Ų054 Ų540%030%0.295CS..EExtended strand (participates in β ladder)trans-149.2124-177.2-164.2-71.1000111.3Y211 C260 M264 L316 W317 I318 I360 F363 A366 M367Y211-F262 WeakPolarHBondContact OH-CE2 3.42Å; C260-F262 PolarHBondContact SG-O 2.86Å; C260-F262 VanDerWaalsContact SG-O 3.34Å; F262-M264 HydrophobicContact CE1-CB 4.23Å; F262-M264 HydrophobicContact CE1-CE 4.19Å; F262-L316 HydrophobicContact CE1-CD2 4Å; F262-L316 HydrophobicContact CZ-CB 4.43Å; F262-L316 HydrophobicContact CZ-CD1 3.96Å; F262-L316 HydrophobicContact CZ-CD2 4.14Å; F262-L316 HydrophobicContact CZ-CG 4.42Å; F262-W317 CarbonylContact C-O 3.47Å; F262-W317 WeakPolarHBondContact CA-O 3.37Å; F262-I318 HydrophobicContact CD2-CB 4.37Å; F262-I318 HydrophobicContact CD2-CD1 4.06Å; F262-I318 HydrophobicContact CD2-CG1 3.77Å; F262-I318 HydrophobicContact CD2-CG2 3.87Å; F262-I318 HydrophobicContact CE2-CD1 3.52Å; F262-I318 HydrophobicContact CE2-CG1 3.69Å; F262-I318 HydrophobicContact CE2-CG2 4.37Å; F262-I318 HydrophobicContact CG-CG1 4.47Å; F262-I318 HydrophobicContact CZ-CD1 4.16Å; F262-I318 HydrophobicContact CZ-CG1 4.32Å; F262-I360 HydrophobicContact CD1-CB 3.91Å; F262-I360 HydrophobicContact CD1-CD1 3.71Å; F262-I360 HydrophobicContact CD1-CG1 3.56Å; F262-I360 HydrophobicContact CE1-CB 3.79Å; F262-I360 HydrophobicContact CE1-CD1 3.9Å; F262-I360 HydrophobicContact CE1-CG1 3.89Å; F262-I360 HydrophobicContact CG-CB 4.46Å; F262-I360 HydrophobicContact CG-CG1 4.2Å; F262-I360 HydrophobicContact CZ-CB 4.23Å; F262-F363 HydrophobicContact CB-CB 3.58Å; F262-F363 HydrophobicContact CB-CD1 4.17Å; F262-F363 HydrophobicContact CB-CD2 4.02Å; F262-F363 HydrophobicContact CB-CG 3.67Å; F262-F363 HydrophobicContact CD2-CD1 4.31Å; F262-F363 AromaticContact CD2-CD2 3.36Å; F262-F363 HydrophobicContact CD2-CD2 3.36Å; F262-F363 HydrophobicContact CD2-CE1 4.33Å; F262-F363 AromaticContact CD2-CE2 3.42Å; F262-F363 HydrophobicContact CD2-CE2 3.42Å; F262-F363 VanDerWaalsContact CD2-CE2 3.42Å; F262-F363 AromaticContact CD2-CG 3.83Å; F262-F363 HydrophobicContact CD2-CG 3.83Å; F262-F363 AromaticContact CD2-CZ 3.91Å; F262-F363 HydrophobicContact CD2-CZ 3.91Å; F262-F363 HydrophobicContact CE2-CD2 4.11Å; F262-F363 AromaticContact CE2-CE2 3.85Å; F262-F363 HydrophobicContact CE2-CE2 3.85Å; F262-F363 HydrophobicContact CE2-CZ 4.44Å; F262-F363 HydrophobicContact CG-CB 4.42Å; F262-F363 HydrophobicContact CG-CD2 4.01Å; F262-F363 HydrophobicContact CG-CE2 4.47Å; F262-F363 HydrophobicContact CG-CG 4.17Å; F262-A366 HydrophobicContact CB-CB 4.23Å; F262-A366 CarbonylContact O-C 3.48Å; F262-A366 VanDerWaalsContact O-CA 3.23Å; F262-A366 WeakPolarHBondContact O-CA 3.41Å; F262-M367 PolarHBondContact O-N 3.03Å
263V97.5Very high87.2Confident0 Ų053.6 Ų53.60%029%0.291CS..EExtended strand (participates in β ladder)trans-121.5131.5172.7-179.30000110.3L251 C260 L316 W317 M367 I369L251-V263 HydrophobicContact CD2-CB 4.44Å; L251-V263 HydrophobicContact CD2-CG2 3.45Å; L251-V263 VanDerWaalsContact CD2-CG2 3.45Å; C260-V263 HydrophobicContact CB-CG2 4.43Å; C260-V263 WeakPolarHBondContact SG-CG2 3.26Å; V263-L316 CarbonylContact O-C 3.51Å; V263-L316 WeakPolarHBondContact O-CA 3.32Å; V263-W317 HydrophobicContact CB-CB 4.13Å; V263-W317 PolarHBondContact N-O 3.5Å; V263-W317 PolarHBondContact O-N 3.12Å; V263-M367 VanDerWaalsContact CA-O 3.32Å; V263-M367 WeakPolarHBondContact CA-O 3.33Å; V263-M367 HydrophobicContact CB-CG 4.36Å; V263-M367 HydrophobicContact CG1-CG 4.26Å; V263-M367 HydrophobicContact CG2-CG 3.53Å; V263-M367 HydrophobicContact CG2-SD 4.09Å; V263-I369 HydrophobicContact CG1-CB 4.49Å; V263-I369 HydrophobicContact CG1-CD1 3.54Å; V263-I369 HydrophobicContact CG1-CG1 3.72Å
264M97.9Very high87.2Confident0 Ų052.6 Ų52.60%028%0.283CS..EExtended strand (participates in β ladder)trans-109.8119.1171.3-178.7175.5-63.500109.3F262 V266 L279 L288 N312 L316 G357 I360 M367 G368 I369F262-M264 HydrophobicContact CE1-CB 4.23Å; F262-M264 HydrophobicContact CE1-CE 4.19Å; M264-V266 HydrophobicContact CG-CG1 4.15Å; M264-V266 PolarHBondContact O-N 3.31Å; M264-V266 HydrophobicContact SD-CG1 4.42Å; M264-L279 HydrophobicContact CB-CD1 4.36Å; M264-L279 HydrophobicContact CE-CD2 4.28Å; M264-L279 HydrophobicContact SD-CD1 4.19Å; M264-L279 HydrophobicContact SD-CD2 3.65Å; M264-L279 HydrophobicContact SD-CG 3.91Å; M264-L288 HydrophobicContact CE-CB 4.44Å; M264-L288 HydrophobicContact CE-CD1 4.47Å; M264-L288 HydrophobicContact CE-CD2 4.33Å; M264-L288 HydrophobicContact SD-CD1 4.2Å; M264-N312 VanDerWaalsContact CG-OD1 3.28Å; M264-N312 WeakPolarHBondContact CG-OD1 3.37Å; M264-N312 HydrophobicContact SD-CB 3.77Å; M264-N312 PolarHBondContact SD-OD1 3.47Å; M264-L316 HydrophobicContact CB-CD2 3.85Å; M264-L316 HydrophobicContact CE-CD2 3.91Å; M264-L316 HydrophobicContact CG-CD2 3.64Å; M264-G357 WeakPolarHBondContact CE-O 3.42Å; M264-I360 HydrophobicContact CB-CD1 4.03Å; M264-I360 HydrophobicContact CE-CB 4.49Å; M264-I360 HydrophobicContact CE-CD1 4.24Å; M264-M367 PolarHBondContact N-O 3.45Å; M264-G368 VanDerWaalsContact O-CA 3.29Å; M264-G368 WeakPolarHBondContact O-CA 3.47Å; M264-I369 PolarHBondContact O-N 3.25Å
265E98.4Very high87.4Confident0 Ų057.1 Ų57.10%030%0.302CS..EExtended strand (participates in β ladder)trans-70.9126.7167.3-62.1178.6-154.300108.6I247 T313 N315 W317 I369 V371 R375I247-E265 HydrophobicContact CD1-CG 4.16Å; E265-T313 WeakPolarHBondContact CB-OG1 3.45Å; E265-T313 WeakPolarHBondContact O-CB 3.36Å; E265-T313 WeakPolarHBondContact O-CG2 3.48Å; E265-T313 PolarHBondContact O-N 3.34Å; E265-T313 VanDerWaalsContact O-N 3.13Å; E265-T313 PolarHBondContact O-OG1 3.5Å; E265-N315 HydrophobicContact CB-CB 3.95Å; E265-N315 HydrophobicContact CG-CB 4.03Å; E265-N315 PolarHBondContact N-O 2.93Å; E265-N315 PolarHBondContact OE2-ND2 2.94Å; E265-N315 VanDerWaalsContact OE2-ND2 3.07Å; E265-W317 PolarHBondContact OE1-NE1 3.22Å; E265-I369 WeakPolarHBondContact CA-O 3.29Å; E265-V371 HydrophobicContact CB-CG1 4.02Å; E265-V371 HydrophobicContact CB-CG2 3.91Å; E265-V371 HydrophobicContact CG-CG1 3.87Å; E265-R375 IonicContact OE1-CZ 2.98Å; E265-R375 IonicContact OE1-NE 2.73Å; E265-R375 PolarHBondContact OE1-NE 3.49Å; E265-R375 IonicContact OE1-NH2 3.98Å; E265-R375 PolarHBondContact OE1-NH2 3Å; E265-R375 IonicContact OE2-CZ 3.62Å; E265-R375 IonicContact OE2-NE 2.64Å; E265-R375 PolarHBondContact OE2-NE 3.35Å; E265-R375 IonicContact OE2-NH2 2.69Å; E265-R375 PolarHBondContact OE2-NH2 2.88Å
266V97.3Very high88.3Confident0 Ų055 Ų550%029%0.292CS..EExtended strand (participates in β ladder)trans-117.1154.6173.5-62.70000108.9I70 M264 L279 I310 F311 I369 N370 V371I70-V266 HydrophobicContact CG2-CG2 3.92Å; M264-V266 HydrophobicContact CG-CG1 4.15Å; M264-V266 PolarHBondContact O-N 3.31Å; M264-V266 HydrophobicContact SD-CG1 4.42Å; V266-L279 HydrophobicContact CG1-CD1 3.61Å; V266-L279 HydrophobicContact CG1-CG 4.02Å; V266-I310 HydrophobicContact CB-CB 4.24Å; V266-I310 HydrophobicContact CB-CD1 4.14Å; V266-I310 HydrophobicContact CG1-CD1 4.3Å; V266-I310 HydrophobicContact CG2-CB 4.24Å; V266-I310 HydrophobicContact CG2-CD1 3.78Å; V266-I310 HydrophobicContact CG2-CG2 4.39Å; V266-F311 CarbonylContact C-O 3.53Å; V266-F311 WeakPolarHBondContact CA-O 3.49Å; V266-F311 WeakPolarHBondContact CB-O 3.47Å; V266-I369 WeakPolarHBondContact CG2-O 3.47Å; V266-I369 PolarHBondContact N-O 3.1Å; V266-I369 VanDerWaalsContact O-O 3.11Å; V266-N370 HydrophobicContact CG2-CB 4.28Å; V266-N370 CarbonylContact O-C 3.58Å; V266-N370 VanDerWaalsContact O-CA 3.29Å; V266-N370 WeakPolarHBondContact O-CA 3.47Å; V266-N370 PolarHBondContact O-OD1 3.13Å; V266-V371 WeakPolarHBondContact O-CG2 3.49Å; V266-V371 PolarHBondContact O-N 2.74Å
267T96.1Very high89.3Confident4 Ų449.1 Ų49.13%0.02526%0.262CS..EExtended strand (participates in β ladder)trans-134.6159.1174.5-174.40000109.4I310 F311 T313 N370 V371 F376T267-I310 CarbonylContact O-C 3.53Å; T267-I310 VanDerWaalsContact O-CA 3.29Å; T267-I310 WeakPolarHBondContact O-CA 3.38Å; T267-F311 HydrophobicContact CG2-CD1 3.87Å; T267-F311 HydrophobicContact CG2-CE1 3.2Å; T267-F311 HydrophobicContact CG2-CE2 4.25Å; T267-F311 HydrophobicContact CG2-CZ 3.41Å; T267-F311 VanDerWaalsContact CG2-CZ 3.41Å; T267-F311 PolarHBondContact N-O 3.48Å; T267-F311 VanDerWaalsContact O-CD1 3.25Å; T267-F311 WeakPolarHBondContact O-CD1 3.46Å; T267-F311 PolarHBondContact O-N 3.47Å; T267-T313 HydrophobicContact CG2-CG2 3.68Å; T267-N370 WeakPolarHBondContact CA-OD1 3.43Å; T267-V371 PolarHBondContact OG1-O 3.32Å; T267-F376 HydrophobicContact CG2-CB 4.26Å; T267-F376 HydrophobicContact CG2-CD1 4.41Å; T267-F376 HydrophobicContact CG2-CG 4.38Å
268D93.9Very high90.3Very high92 Ų9245.9 Ų45.949%0.49223%0.229SC..EExtended strand (participates in β ladder)trans-60.6136.9178.3-64.3-33.5000112.1K309 F311 N370D268-K309 CarbonylContact C-O 3.5Å; D268-K309 WeakPolarHBondContact CA-O 3.46Å; D268-F311 WeakPolarHBondContact O-CE1 3.22Å; D268-N370 PolarHBondContact OD1-ND2 2.94Å
269K90.9Very high91Very high20 Ų2039.2 Ų39.29%0.08720%0.2CC..  trans-71.7127.1179.3-78.6-170.8177.1-176.60111G276 V305 F308 K309 I310 F311K269-G276 PolarHBondContact NZ-O 2.77Å; K269-V305 HydrophobicContact CB-CG1 4.13Å; K269-F308 WeakPolarHBondContact CD-O 3.16Å; K269-K309 PolarHBondContact N-O 2.85Å; K269-I310 WeakPolarHBondContact CE-O 3.36Å; K269-F311 HydrophobicContact CB-CD1 4.37Å; K269-F311 HydrophobicContact CD-CB 4.34Å; K269-F311 HydrophobicContact CG-CB 3.78Å; K269-F311 HydrophobicContact CG-CD1 3.7Å; K269-F311 HydrophobicContact CG-CG 4.14Å
270T86.5Confident91.4Very high48 Ų4835.8 Ų35.829%0.29419%0.187SC..  trans-92175.4161.478.10000111A272 D273 R373T270-A272 PolarHBondContact O-N 3.26Å; T270-A272 PolarHBondContact OG1-N 2.91Å; T270-D273 VanDerWaalsContact CB-OD2 3.29Å; T270-D273 WeakPolarHBondContact CB-OD2 3.34Å; T270-D273 WeakPolarHBondContact CG2-OD2 3.43Å; T270-D273 PolarHBondContact N-OD2 3.32Å; T270-D273 PolarHBondContact O-N 3.41Å; T270-D273 PolarHBondContact OG1-OD2 2.9Å; T270-R373 PolarHBondContact OG1-NH2 3.47Å
271R80.1Confident91.5Very high239 Ų23937.6 Ų37.690%0.90219%0.194SC*.THydrogen-bonded Turntrans-59-26.1174.5-68.3-176.2-179.5177.90.9113D273R271-D273 VanDerWaalsContact C-N 3.33Å
272A80.1Confident91.3Very high83 Ų8337.7 Ų37.769%0.68619%0.194SC*.THydrogen-bonded Turntrans-75.7-23.1176.700000112.8T270T270-A272 PolarHBondContact O-N 3.26Å; T270-A272 PolarHBondContact OG1-N 2.91Å
273D84.9Confident91Very high24 Ų2444.7 Ų44.713%0.12823%0.227CC..  trans-1015.4-168.6-49-53.3000113T270 R271 K275 G276 F311 R373T270-D273 VanDerWaalsContact CB-OD2 3.29Å; T270-D273 WeakPolarHBondContact CB-OD2 3.34Å; T270-D273 WeakPolarHBondContact CG2-OD2 3.43Å; T270-D273 PolarHBondContact N-OD2 3.32Å; T270-D273 PolarHBondContact O-N 3.41Å; T270-D273 PolarHBondContact OG1-OD2 2.9Å; R271-D273 VanDerWaalsContact C-N 3.33Å; D273-K275 PolarHBondContact O-N 3.43Å; D273-G276 PolarHBondContact O-N 2.91Å; D273-F311 HydrophobicContact CB-CD1 3.85Å; D273-F311 HydrophobicContact CB-CD2 4.45Å; D273-F311 HydrophobicContact CB-CE1 3.61Å; D273-F311 HydrophobicContact CB-CE2 4.29Å; D273-F311 HydrophobicContact CB-CG 4.24Å; D273-F311 HydrophobicContact CB-CZ 3.87Å; D273-R373 IonicContact OD1-NH2 2.74Å; D273-R373 IonicContact OD2-NH2 2.67Å; D273-R373 PolarHBondContact OD2-NH2 2.9Å
274V84.9Confident90.6Very high33 Ų3347.5 Ų47.520%0.226%0.256CS..THydrogen-bonded Turntrans-59.8-19.9-173.9-640000114.3K303 V305V274-K303 HydrophobicContact CB-CB 4.35Å; V274-V305 HydrophobicContact CG1-CG1 4.07Å
275K82.6Confident90.3Very high152 Ų15252.3 Ų52.366%0.66128%0.277SS*.THydrogen-bonded Turntrans-88.1-14.1177.1-61.8-177.4-177.5177.60113.5D273D273-K275 PolarHBondContact O-N 3.43Å
276G87.1Confident90.2Very high24 Ų2453.1 Ų53.125%0.24728%0.281CS..SBendtrans-69.7144.6-177.400000112.8K269 D273K269-G276 PolarHBondContact NZ-O 2.77Å; D273-G276 PolarHBondContact O-N 2.91Å
277G91Very high90Very high4 Ų454 Ų544%0.04128%0.284CS..  trans-57.1147.2174.400000112.8L289 E290 F311 N312G277-L289 CarbonylContact C-O 3.43Å; G277-L289 WeakPolarHBondContact CA-O 3.48Å; G277-E290 WeakPolarHBondContact CA-OE2 3.35Å; G277-E290 PolarHBondContact N-OE2 3.13Å; G277-F311 CarbonylContact O-C 3.53Å; G277-F311 VanDerWaalsContact O-CA 3.25Å; G277-F311 WeakPolarHBondContact O-CA 3.45Å; G277-F311 WeakPolarHBondContact O-CB 3.29Å; G277-N312 PolarHBondContact O-N 2.96Å
278T94.6Very high90Very high1 Ų153.9 Ų53.91%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-125.6152.5-178.1-1740000110.9I280 L289 F302 F308 I310T278-I280 HydrophobicContact CG2-CG2 4.02Å; T278-L289 HydrophobicContact CG2-CB 4.33Å; T278-L289 PolarHBondContact N-O 3.49Å; T278-L289 PolarHBondContact O-N 2.93Å; T278-F302 HydrophobicContact CG2-CD2 4.41Å; T278-F302 HydrophobicContact CG2-CE2 3.66Å; T278-F302 HydrophobicContact CG2-CZ 4.34Å; T278-F308 HydrophobicContact CG2-CB 4.24Å; T278-F308 HydrophobicContact CG2-CD1 3.5Å; T278-F308 HydrophobicContact CG2-CE1 4.04Å; T278-F308 HydrophobicContact CG2-CG 3.95Å; T278-I310 PolarHBondContact OG1-O 2.81Å; T278-I310 VanDerWaalsContact OG1-O 3.09Å
279L95.2Very high90Very high1 Ų149.5 Ų49.51%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-76.5135.3168.6-72.4178.6000110.8P65 I70 M264 V266 I310 I360P65-L279 HydrophobicContact CG-CB 4.49Å; P65-L279 VanDerWaalsContact CG-O 3.3Å; P65-L279 WeakPolarHBondContact CG-O 3.47Å; I70-L279 HydrophobicContact CD1-CB 4.14Å; I70-L279 HydrophobicContact CD1-CD1 4.24Å; M264-L279 HydrophobicContact CB-CD1 4.36Å; M264-L279 HydrophobicContact CE-CD2 4.28Å; M264-L279 HydrophobicContact SD-CD1 4.19Å; M264-L279 HydrophobicContact SD-CD2 3.65Å; M264-L279 HydrophobicContact SD-CG 3.91Å; V266-L279 HydrophobicContact CG1-CD1 3.61Å; V266-L279 HydrophobicContact CG1-CG 4.02Å; L279-I310 HydrophobicContact CB-CD1 4.35Å; L279-I360 HydrophobicContact CD2-CD1 3.94Å
280I94.7Very high90Very high0 Ų050.9 Ų50.90%027%0.267CS..EExtended strand (participates in β ladder)trans-132.1165.217463.1162.4000110.1I62 T278 L286 R287 L289 F308I62-I280 HydrophobicContact CB-CD1 4.35Å; I62-I280 HydrophobicContact CD1-CD1 4.21Å; I62-I280 HydrophobicContact CG1-CD1 3.89Å; I62-I280 HydrophobicContact CG2-CB 4.03Å; I62-I280 HydrophobicContact CG2-CD1 3.78Å; I62-I280 HydrophobicContact CG2-CG2 3.95Å; T278-I280 HydrophobicContact CG2-CG2 4.02Å; I280-L286 WeakPolarHBondContact O-CA 3.07Å; I280-R287 HydrophobicContact CG1-CB 4.25Å; I280-R287 WeakPolarHBondContact CG1-O 3.3Å; I280-R287 PolarHBondContact N-O 2.94Å; I280-R287 PolarHBondContact O-N 3.39Å; I280-L289 HydrophobicContact CD1-CB 3.89Å; I280-L289 HydrophobicContact CD1-CD1 4.4Å; I280-L289 HydrophobicContact CD1-CD2 4.23Å; I280-L289 HydrophobicContact CD1-CG 4.41Å; I280-L289 HydrophobicContact CG1-CB 3.98Å; I280-L289 HydrophobicContact CG2-CB 4.02Å; I280-L289 HydrophobicContact CG2-CD2 4.06Å; I280-F308 HydrophobicContact CG2-CD1 4.35Å; I280-F308 HydrophobicContact CG2-CE1 3.71Å
281Q94.1Very high90.1Very high48 Ų4851.3 Ų51.322%0.22427%0.267CS..EExtended strand (participates in β ladder)trans-99.2126.9163.2-170.3175.930.200109.5K63 K285K63-Q281 HydrophobicContact CB-CB 4.24Å; K63-Q281 PolarHBondContact N-O 3.39Å; K63-Q281 PolarHBondContact O-N 2.72Å; Q281-K285 WeakPolarHBondContact CA-O 3.29Å
282Y93.1Very high90.3Very high18 Ų1844.2 Ų44.27%0.07126%0.259CS..EExtended strand (participates in β ladder)trans-140.1127.5178.3-167.7-91.9000108.6V57 E58 K61 I62 G284 K285V57-Y282 HydrophobicContact CB-CE2 4.19Å; V57-Y282 HydrophobicContact CG1-CD2 4.44Å; V57-Y282 HydrophobicContact CG1-CE2 4.24Å; E58-Y282 PolarHBondContact N-OH 3.26Å; K61-Y282 HydrophobicContact CB-CD2 4.19Å; K61-Y282 HydrophobicContact CB-CE2 3.6Å; I62-Y282 HydrophobicContact CG1-CD2 4.03Å; I62-Y282 HydrophobicContact CG1-CE2 4.35Å; Y282-G284 PolarHBondContact O-N 3.08Å; Y282-G284 VanDerWaalsContact O-N 3.14Å; Y282-K285 PolarHBondContact N-O 3.43Å; Y282-K285 PolarHBondContact O-N 3.16Å; Y282-K285 VanDerWaalsContact O-N 3.1Å; Y282-K285 VanDerWaalsContact O-O 3.11Å
283E90Very high90.6Very high148 Ų14841.2 Ų41.269%0.69223%0.231SC*.THydrogen-bonded Turntrans51.737.9-178.9-66.8174.6176.500113.8K285E283-K285 VanDerWaalsContact C-N 3.26Å; E283-K285 PolarHBondContact O-N 3.46Å
284G89.4Confident90.7Very high59 Ų5940.6 Ų40.661%0.60823%0.228SC*.THydrogen-bonded Turntrans82.2-9.8176.800000115.3Y282Y282-G284 PolarHBondContact O-N 3.08Å; Y282-G284 VanDerWaalsContact O-N 3.14Å
285K92.3Very high90.9Very high101 Ų10140.8 Ų40.844%0.43923%0.229SC..EExtended strand (participates in β ladder)trans-110158.1177.8-64.3-164.6178.2-167.70112.5Q281 Y282 E283 K361Q281-K285 WeakPolarHBondContact CA-O 3.29Å; Y282-K285 PolarHBondContact N-O 3.43Å; Y282-K285 PolarHBondContact O-N 3.16Å; Y282-K285 VanDerWaalsContact O-N 3.1Å; Y282-K285 VanDerWaalsContact O-O 3.11Å; E283-K285 VanDerWaalsContact C-N 3.26Å; E283-K285 PolarHBondContact O-N 3.46Å; K285-K361 WeakPolarHBondContact CD-O 3.47Å; K285-K361 PolarHBondContact NZ-O 3.03Å
286L94.6Very high91.2Very high16 Ų1643.2 Ų43.28%0.08424%0.24CC..EExtended strand (participates in β ladder)trans-71.8136.2167.7-71.5-179.5000109.8P65 I280 K361 A366P65-L286 HydrophobicContact CB-CD2 4.03Å; I280-L286 WeakPolarHBondContact O-CA 3.07Å; L286-K361 WeakPolarHBondContact O-CA 3.45Å; L286-K361 WeakPolarHBondContact O-CB 2.98Å; L286-A366 WeakPolarHBondContact CD1-O 3.05Å
287R94.9Very high91.4Very high19 Ų1946.3 Ų46.37%0.07226%0.263CS..EExtended strand (participates in β ladder)trans-139.2142.2179.4-172.8171.6-178.9-164.8-7.7109.6S56 V57 I280 E335 K361S56-R287 PolarHBondContact O-NH1 2.73Å; S56-R287 PolarHBondContact O-NH2 2.93Å; S56-R287 VanDerWaalsContact O-NH2 3.13Å; S56-R287 PolarHBondContact OG-NH2 2.73Å; V57-R287 VanDerWaalsContact CG1-NH1 3.33Å; I280-R287 HydrophobicContact CG1-CB 4.25Å; I280-R287 WeakPolarHBondContact CG1-O 3.3Å; I280-R287 PolarHBondContact N-O 2.94Å; I280-R287 PolarHBondContact O-N 3.39Å; R287-E335 IonicContact CZ-OE1 2.86Å; R287-E335 IonicContact NE-OE1 3.55Å; R287-E335 PolarHBondContact NE-OE1 3.1Å; R287-E335 IonicContact NH2-OE1 3.49Å; R287-E335 PolarHBondContact NH2-OE1 2.69Å; R287-K361 HydrophobicContact CG-CD 4.25Å
288L95.3Very high91.4Very high2 Ų248.7 Ų48.71%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-81.4118.1170.1179.265.5000108.9M264 Q293 N312 I360M264-L288 HydrophobicContact CE-CB 4.44Å; M264-L288 HydrophobicContact CE-CD1 4.47Å; M264-L288 HydrophobicContact CE-CD2 4.33Å; M264-L288 HydrophobicContact SD-CD1 4.2Å; L288-Q293 PolarHBondContact O-OE1 2.94Å; L288-N312 HydrophobicContact CD1-CB 3.85Å; L288-I360 HydrophobicContact CB-CG2 4.42Å
289L93.3Very high91.2Very high0 Ų050 Ų500%028%0.281CS..EExtended strand (participates in β ladder)trans-98.4116.1174.6179.470.1000109.8V57 W59 I62 G277 T278 I280 Q293 V294 F302V57-L289 HydrophobicContact CG1-CD1 4.22Å; V57-L289 HydrophobicContact CG2-CD1 3.83Å; W59-L289 HydrophobicContact CZ3-CD2 4.24Å; I62-L289 HydrophobicContact CD1-CD1 4.43Å; I62-L289 HydrophobicContact CD1-CD2 4Å; G277-L289 CarbonylContact C-O 3.43Å; G277-L289 WeakPolarHBondContact CA-O 3.48Å; T278-L289 HydrophobicContact CG2-CB 4.33Å; T278-L289 PolarHBondContact N-O 3.49Å; T278-L289 PolarHBondContact O-N 2.93Å; I280-L289 HydrophobicContact CD1-CB 3.89Å; I280-L289 HydrophobicContact CD1-CD1 4.4Å; I280-L289 HydrophobicContact CD1-CD2 4.23Å; I280-L289 HydrophobicContact CD1-CG 4.41Å; I280-L289 HydrophobicContact CG1-CB 3.98Å; I280-L289 HydrophobicContact CG2-CB 4.02Å; I280-L289 HydrophobicContact CG2-CD2 4.06Å; L289-Q293 HydrophobicContact CD1-CB 4.03Å; L289-V294 HydrophobicContact CD1-CG2 4.19Å; L289-V294 HydrophobicContact CD2-CG2 4.15Å; L289-V294 HydrophobicContact CG-CG2 4.14Å; L289-F302 HydrophobicContact CB-CE2 4.45Å; L289-F302 HydrophobicContact CD2-CD2 3.75Å; L289-F302 HydrophobicContact CD2-CE2 3.73Å; L289-F302 HydrophobicContact CG-CD2 4.31Å; L289-F302 HydrophobicContact CG-CE2 3.87Å
290E90.9Very high91Very high49 Ų4955.9 Ų55.923%0.22931%0.313CS..PPolyproline II helixtrans-96.7153.5174.1-71.1-66.4174.400111.8G277 A292 Q293G277-E290 WeakPolarHBondContact CA-OE2 3.35Å; G277-E290 PolarHBondContact N-OE2 3.13Å; E290-A292 PolarHBondContact O-N 3.33Å; E290-A292 VanDerWaalsContact O-N 3.13Å; E290-Q293 HydrophobicContact CB-CG 4.41Å; E290-Q293 WeakPolarHBondContact O-CB 3.45Å; E290-Q293 PolarHBondContact O-N 2.98Å
291I88.5Confident90.8Very high57 Ų5758.9 Ų58.929%0.29233%0.327SS..G310 helixtrans-57.1-32.8-179.3-167.3169.7000112.9Q293 V294 V299 F302I291-Q293 PolarHBondContact O-N 3.47Å; I291-V294 WeakPolarHBondContact O-CB 3.03Å; I291-V294 PolarHBondContact O-N 2.81Å; I291-V294 VanDerWaalsContact O-N 3.16Å; I291-V299 HydrophobicContact CD1-CG1 4.35Å; I291-F302 HydrophobicContact CB-CD1 4.31Å; I291-F302 HydrophobicContact CB-CE1 3.87Å; I291-F302 HydrophobicContact CG1-CD1 4.2Å; I291-F302 HydrophobicContact CG1-CE1 4.24Å
292A84.6Confident90.6Very high89 Ų8956.6 Ų56.674%0.73632%0.316SS*.G310 helixtrans-65.8-21.8178.500000113.3E290E290-A292 PolarHBondContact O-N 3.33Å; E290-A292 VanDerWaalsContact O-N 3.13Å
293Q85.9Confident90.4Very high21 Ų2159 Ų5910%0.09833%0.327CS..G310 helixtrans-88.1-15.5178.7-58.5165.42.500111.7V57 L288 L289 E290 I291V57-Q293 HydrophobicContact CG2-CB 4.29Å; V57-Q293 VanDerWaalsContact CG2-O 3.24Å; V57-Q293 WeakPolarHBondContact CG2-O 3.37Å; L288-Q293 PolarHBondContact O-OE1 2.94Å; L289-Q293 HydrophobicContact CD1-CB 4.03Å; E290-Q293 HydrophobicContact CB-CG 4.41Å; E290-Q293 WeakPolarHBondContact O-CB 3.45Å; E290-Q293 PolarHBondContact O-N 2.98Å; I291-Q293 PolarHBondContact O-N 3.47Å
294V88.4Confident90.4Very high11 Ų1153.9 Ų53.97%0.06731%0.307CS..SBendtrans-77.9126.9-176.2179.70000110.3W59 L289 I291 K296 H298 V299 F302W59-V294 HydrophobicContact CE3-CG1 4.04Å; W59-V294 HydrophobicContact CH2-CG1 4.14Å; W59-V294 HydrophobicContact CZ3-CB 4.3Å; W59-V294 HydrophobicContact CZ3-CG1 3.5Å; W59-V294 HydrophobicContact CZ3-CG2 4Å; L289-V294 HydrophobicContact CD1-CG2 4.19Å; L289-V294 HydrophobicContact CD2-CG2 4.15Å; L289-V294 HydrophobicContact CG-CG2 4.14Å; I291-V294 WeakPolarHBondContact O-CB 3.03Å; I291-V294 PolarHBondContact O-N 2.81Å; I291-V294 VanDerWaalsContact O-N 3.16Å; V294-K296 PolarHBondContact O-N 2.88Å; V294-H298 HydrophobicContact CG1-CB 4.24Å; V294-V299 HydrophobicContact CG1-CG2 4.15Å; V294-F302 HydrophobicContact CG1-CB 4.12Å; V294-F302 HydrophobicContact CG2-CB 4.11Å; V294-F302 HydrophobicContact CG2-CD1 4.44Å; V294-F302 HydrophobicContact CG2-CD2 3.65Å; V294-F302 HydrophobicContact CG2-CE2 4.13Å; V294-F302 HydrophobicContact CG2-CG 3.81Å
295P88.5Confident90.2Very high36 Ų3654.4 Ų54.423%0.23430%0.298CS..  trans-56.6140.2172.5-24.634.2000111.5P55 A297 H298P55-P295 HydrophobicContact CB-CG 4.41Å; P295-A297 PolarHBondContact O-N 3.09Å; P295-H298 PolarHBondContact O-N 3.18Å
296K88.7Confident89.9Confident203 Ų20353.3 Ų53.388%0.88330%0.304SS*.G310 helixtrans-50.3-35.9-175.2-68.5-176.7179.3178.60113.8V294 H298V294-K296 PolarHBondContact O-N 2.88Å; K296-H298 VanDerWaalsContact C-N 3.26Å; K296-H298 PolarHBondContact O-N 3.12Å
297A90.8Very high89.5Confident89 Ų8956.8 Ų56.874%0.73632%0.318SS*.G310 helixtrans-65-22.8179.800000114.5P295P295-A297 PolarHBondContact O-N 3.09Å
298H91.7Very high89.2Confident54 Ų5456.8 Ų56.825%0.2532%0.319CS..G310 helixtrans-115.310.8-174.6-59.8-67.1000113.6W59 V294 P295 K296 D300 E301 F302W59-H298 AromaticContact CD1-CD2 3.49Å; W59-H298 VanDerWaalsContact CD1-CD2 3.49Å; W59-H298 AromaticContact CD1-CE1 3.62Å; W59-H298 AromaticContact CD1-CG 3.5Å; W59-H298 VanDerWaalsContact CD1-CG 3.5Å; W59-H298 AromaticContact CD1-ND1 3.57Å; W59-H298 AromaticContact CD1-NE2 3.58Å; W59-H298 HydrophobicContact CD2-CB 3.59Å; W59-H298 AromaticContact CD2-CD2 3.9Å; W59-H298 AromaticContact CD2-CG 3.73Å; W59-H298 VanDerWaalsContact CE2-CB 3.43Å; W59-H298 AromaticContact CE2-CG 3.65Å; W59-H298 HydrophobicContact CE3-CB 3.94Å; W59-H298 HydrophobicContact CG-CB 4.1Å; W59-H298 AromaticContact CG-CD2 3.44Å; W59-H298 VanDerWaalsContact CG-CD2 3.44Å; W59-H298 AromaticContact CG-CG 3.68Å; W59-H298 AromaticContact CG-NE2 3.9Å; W59-H298 HydrophobicContact CH2-CB 4.06Å; W59-H298 HydrophobicContact CZ2-CB 3.69Å; W59-H298 HydrophobicContact CZ3-CB 4.17Å; W59-H298 AromaticContact NE1-CD2 3.95Å; W59-H298 AromaticContact NE1-CE1 3.91Å; W59-H298 AromaticContact NE1-CG 3.45Å; W59-H298 AromaticContact NE1-ND1 3.42Å; W59-H298 PolarHBondContact NE1-ND1 2.93Å; V294-H298 HydrophobicContact CG1-CB 4.24Å; P295-H298 PolarHBondContact O-N 3.18Å; K296-H298 VanDerWaalsContact C-N 3.26Å; K296-H298 PolarHBondContact O-N 3.12Å; H298-D300 VanDerWaalsContact C-N 3.28Å; H298-D300 PolarHBondContact O-N 3.06Å; H298-E301 IonicContact CE1-OE1 2.95Å; H298-E301 IonicContact CG-OE1 3.07Å; H298-E301 IonicContact ND1-OE1 2.74Å; H298-E301 PolarHBondContact ND1-OE1 3.16Å; H298-E301 WeakPolarHBondContact O-CB 3.32Å; H298-E301 PolarHBondContact O-N 3.32Å; H298-F302 PolarHBondContact O-N 3.47Å
299V90.5Very high89.1Confident30 Ų3063.6 Ų63.618%0.18235%0.348CS..Hα-helixtrans-60.3-37.8-179.3169.70000111.9I291 V294 F302 K303I291-V299 HydrophobicContact CD1-CG1 4.35Å; V294-V299 HydrophobicContact CG1-CG2 4.15Å; V299-F302 WeakPolarHBondContact O-CB 3.45Å; V299-F302 PolarHBondContact O-N 2.87Å; V299-K303 HydrophobicContact CG1-CD 4.32Å; V299-K303 WeakPolarHBondContact O-CG 3.46Å; V299-K303 PolarHBondContact O-N 2.99Å; V299-K303 VanDerWaalsContact O-N 3.09Å
300D90.8Very high89.1Confident124 Ų12464.5 Ų64.566%0.66335%0.353SS*.Hα-helixtrans-74.6-30180-63.5-30.8000112.2H298 K303 S304H298-D300 VanDerWaalsContact C-N 3.28Å; H298-D300 PolarHBondContact O-N 3.06Å; D300-K303 PolarHBondContact O-N 2.85Å; D300-K303 IonicContact OD1-NZ 3.87Å; D300-S304 PolarHBondContact O-N 3.1Å
301E90.4Very high89.4Confident62 Ų6262.5 Ų62.529%0.2934%0.344SS..Hα-helixtrans-66.3-39.7169.8-65.1-177.2-137.500111.8W59 H298 K303 S304 K307W59-E301 HydrophobicContact CZ2-CB 3.84Å; W59-E301 PolarHBondContact NE1-OE2 2.81Å; H298-E301 IonicContact CE1-OE1 2.95Å; H298-E301 IonicContact CG-OE1 3.07Å; H298-E301 IonicContact ND1-OE1 2.74Å; H298-E301 PolarHBondContact ND1-OE1 3.16Å; H298-E301 WeakPolarHBondContact O-CB 3.32Å; H298-E301 PolarHBondContact O-N 3.32Å; E301-K303 VanDerWaalsContact C-N 3.35Å; E301-S304 VanDerWaalsContact O-CB 3.24Å; E301-S304 WeakPolarHBondContact O-CB 3.25Å; E301-S304 PolarHBondContact O-N 3.44Å; E301-S304 VanDerWaalsContact O-N 3.17Å; E301-K307 HydrophobicContact CB-CD 4.24Å; E301-K307 IonicContact OE2-NZ 3.56Å; E301-K307 PolarHBondContact OE2-NZ 2.81Å
302F89.8Confident89.7Confident0 Ų060.8 Ų60.80%034%0.335CS..Hα-helixtrans-62.8-40.1175.5176.9-97000112.6W59 T278 L289 I291 V294 H298 V299 S304 F308W59-F302 HydrophobicContact CH2-CB 3.97Å; T278-F302 HydrophobicContact CG2-CD2 4.41Å; T278-F302 HydrophobicContact CG2-CE2 3.66Å; T278-F302 HydrophobicContact CG2-CZ 4.34Å; L289-F302 HydrophobicContact CB-CE2 4.45Å; L289-F302 HydrophobicContact CD2-CD2 3.75Å; L289-F302 HydrophobicContact CD2-CE2 3.73Å; L289-F302 HydrophobicContact CG-CD2 4.31Å; L289-F302 HydrophobicContact CG-CE2 3.87Å; I291-F302 HydrophobicContact CB-CD1 4.31Å; I291-F302 HydrophobicContact CB-CE1 3.87Å; I291-F302 HydrophobicContact CG1-CD1 4.2Å; I291-F302 HydrophobicContact CG1-CE1 4.24Å; V294-F302 HydrophobicContact CG1-CB 4.12Å; V294-F302 HydrophobicContact CG2-CB 4.11Å; V294-F302 HydrophobicContact CG2-CD1 4.44Å; V294-F302 HydrophobicContact CG2-CD2 3.65Å; V294-F302 HydrophobicContact CG2-CE2 4.13Å; V294-F302 HydrophobicContact CG2-CG 3.81Å; H298-F302 PolarHBondContact O-N 3.47Å; V299-F302 WeakPolarHBondContact O-CB 3.45Å; V299-F302 PolarHBondContact O-N 2.87Å; F302-S304 PolarHBondContact O-N 2.93Å; F302-F308 HydrophobicContact CD2-CD2 4.44Å; F302-F308 HydrophobicContact CD2-CE2 4.35Å; F302-F308 WeakPolarHBondContact O-CD2 3.47Å
303K89.5Confident90.3Very high70 Ų7056.6 Ų56.630%0.30430%0.3SS..Hα-helixtrans-71.3-13.8176.2-69.2171.1-171.5162.40113.1V274 V299 D300 E301 V305V274-K303 HydrophobicContact CB-CB 4.35Å; V299-K303 HydrophobicContact CG1-CD 4.32Å; V299-K303 WeakPolarHBondContact O-CG 3.46Å; V299-K303 PolarHBondContact O-N 2.99Å; V299-K303 VanDerWaalsContact O-N 3.09Å; D300-K303 PolarHBondContact O-N 2.85Å; D300-K303 IonicContact OD1-NZ 3.87Å; E301-K303 VanDerWaalsContact C-N 3.35Å; K303-V305 PolarHBondContact O-N 3.32Å
304S89Confident90.8Very high40 Ų4056.3 Ų56.328%0.2830%0.299SS..  trans-70.9111.6-178.9-171.30000111.4D300 E301 F302 S306 K307 F308D300-S304 PolarHBondContact O-N 3.1Å; E301-S304 VanDerWaalsContact O-CB 3.24Å; E301-S304 WeakPolarHBondContact O-CB 3.25Å; E301-S304 PolarHBondContact O-N 3.44Å; E301-S304 VanDerWaalsContact O-N 3.17Å; F302-S304 PolarHBondContact O-N 2.93Å; S304-S306 PolarHBondContact O-N 2.85Å; S304-S306 VanDerWaalsContact O-N 3.13Å; S304-S306 PolarHBondContact OG-OG 3.35Å; S304-K307 PolarHBondContact O-N 2.72Å; S304-F308 PolarHBondContact O-N 3.26Å
305V87Confident91.3Very high69 Ų6955.8 Ų55.842%0.41830%0.296SS..THydrogen-bonded Turntrans-60.8-19.6174.7-62.70000113.2K269 V274 K303 F308 K309K269-V305 HydrophobicContact CB-CG1 4.13Å; V274-V305 HydrophobicContact CG1-CG1 4.07Å; K303-V305 PolarHBondContact O-N 3.32Å; V305-F308 WeakPolarHBondContact CA-O 3.45Å; V305-K309 WeakPolarHBondContact O-CG 3.47Å
306S85Confident91.8Very high79 Ų7954.1 Ų54.155%0.55229%0.285SS*.THydrogen-bonded Turntrans-71.5-33.5174.872.10000112.8S304S304-S306 PolarHBondContact O-N 2.85Å; S304-S306 VanDerWaalsContact O-N 3.13Å; S304-S306 PolarHBondContact OG-OG 3.35Å
307K85.6Confident92.3Very high88 Ų8844.4 Ų44.438%0.38324%0.243SC..THydrogen-bonded Turntrans-88.7-47.3180-74.2-166.9176.4-163.40111.4E301 S304E301-K307 HydrophobicContact CB-CD 4.24Å; E301-K307 IonicContact OE2-NZ 3.56Å; E301-K307 PolarHBondContact OE2-NZ 2.81Å; S304-K307 PolarHBondContact O-N 2.72Å
308F90.1Very high92.6Very high20 Ų2040.2 Ų40.29%0.08821%0.208CC..  trans-117.6100.7-179.9-59.7-76.9000108.6W59 K269 T278 I280 F302 S304 V305W59-F308 AromaticContact CH2-CE2 3.99Å; W59-F308 HydrophobicContact CH2-CE2 3.99Å; W59-F308 HydrophobicContact CH2-CZ 4.19Å; W59-F308 HydrophobicContact CZ2-CE2 4.38Å; K269-F308 WeakPolarHBondContact CD-O 3.16Å; T278-F308 HydrophobicContact CG2-CB 4.24Å; T278-F308 HydrophobicContact CG2-CD1 3.5Å; T278-F308 HydrophobicContact CG2-CE1 4.04Å; T278-F308 HydrophobicContact CG2-CG 3.95Å; I280-F308 HydrophobicContact CG2-CD1 4.35Å; I280-F308 HydrophobicContact CG2-CE1 3.71Å; F302-F308 HydrophobicContact CD2-CD2 4.44Å; F302-F308 HydrophobicContact CD2-CE2 4.35Å; F302-F308 WeakPolarHBondContact O-CD2 3.47Å; S304-F308 PolarHBondContact O-N 3.26Å; V305-F308 WeakPolarHBondContact CA-O 3.45Å
309K91.8Very high92.9Very high144 Ų14437.7 Ų37.763%0.62620%0.196SC*.  trans-84.1-19.2-172.9-64.4-178.9179.3-176.70113.8D268 K269 V305D268-K309 CarbonylContact C-O 3.5Å; D268-K309 WeakPolarHBondContact CA-O 3.46Å; K269-K309 PolarHBondContact N-O 2.85Å; V305-K309 WeakPolarHBondContact O-CG 3.47Å
310I94.6Very high93.2Very high20 Ų2036.2 Ų36.210%0.10319%0.188CC..EExtended strand (participates in β ladder)trans-123.3159.6-170.155.4161.9000111.2I70 V266 T267 K269 T278 L279I70-I310 HydrophobicContact CD1-CD1 3.39Å; V266-I310 HydrophobicContact CB-CB 4.24Å; V266-I310 HydrophobicContact CB-CD1 4.14Å; V266-I310 HydrophobicContact CG1-CD1 4.3Å; V266-I310 HydrophobicContact CG2-CB 4.24Å; V266-I310 HydrophobicContact CG2-CD1 3.78Å; V266-I310 HydrophobicContact CG2-CG2 4.39Å; T267-I310 CarbonylContact O-C 3.53Å; T267-I310 VanDerWaalsContact O-CA 3.29Å; T267-I310 WeakPolarHBondContact O-CA 3.38Å; K269-I310 WeakPolarHBondContact CE-O 3.36Å; T278-I310 PolarHBondContact OG1-O 2.81Å; T278-I310 VanDerWaalsContact OG1-O 3.09Å; L279-I310 HydrophobicContact CB-CD1 4.35Å
311F95.4Very high93.5Very high7 Ų732.8 Ų32.83%0.03117%0.172CC..EExtended strand (participates in β ladder)trans-141.7160170.675.6-78000112.2V266 T267 D268 K269 D273 G277 F376V266-F311 CarbonylContact C-O 3.53Å; V266-F311 WeakPolarHBondContact CA-O 3.49Å; V266-F311 WeakPolarHBondContact CB-O 3.47Å; T267-F311 HydrophobicContact CG2-CD1 3.87Å; T267-F311 HydrophobicContact CG2-CE1 3.2Å; T267-F311 HydrophobicContact CG2-CE2 4.25Å; T267-F311 HydrophobicContact CG2-CZ 3.41Å; T267-F311 VanDerWaalsContact CG2-CZ 3.41Å; T267-F311 PolarHBondContact N-O 3.48Å; T267-F311 VanDerWaalsContact O-CD1 3.25Å; T267-F311 WeakPolarHBondContact O-CD1 3.46Å; T267-F311 PolarHBondContact O-N 3.47Å; D268-F311 WeakPolarHBondContact O-CE1 3.22Å; K269-F311 HydrophobicContact CB-CD1 4.37Å; K269-F311 HydrophobicContact CD-CB 4.34Å; K269-F311 HydrophobicContact CG-CB 3.78Å; K269-F311 HydrophobicContact CG-CD1 3.7Å; K269-F311 HydrophobicContact CG-CG 4.14Å; D273-F311 HydrophobicContact CB-CD1 3.85Å; D273-F311 HydrophobicContact CB-CD2 4.45Å; D273-F311 HydrophobicContact CB-CE1 3.61Å; D273-F311 HydrophobicContact CB-CE2 4.29Å; D273-F311 HydrophobicContact CB-CG 4.24Å; D273-F311 HydrophobicContact CB-CZ 3.87Å; G277-F311 CarbonylContact O-C 3.53Å; G277-F311 VanDerWaalsContact O-CA 3.25Å; G277-F311 WeakPolarHBondContact O-CA 3.45Å; G277-F311 WeakPolarHBondContact O-CB 3.29Å; F311-F376 HydrophobicContact CE2-CD1 4.09Å; F311-F376 AromaticContact CE2-CE1 3.5Å; F311-F376 HydrophobicContact CE2-CE1 3.5Å; F311-F376 VanDerWaalsContact CE2-CE1 3.5Å; F311-F376 HydrophobicContact CE2-CE2 4.19Å; F311-F376 AromaticContact CE2-CZ 3.54Å; F311-F376 HydrophobicContact CE2-CZ 3.54Å; F311-F376 AromaticContact CZ-CD1 3.64Å; F311-F376 HydrophobicContact CZ-CD1 3.64Å; F311-F376 AromaticContact CZ-CE1 3.38Å; F311-F376 HydrophobicContact CZ-CE1 3.38Å; F311-F376 HydrophobicContact CZ-CG 4.4Å; F311-F376 AromaticContact CZ-CZ 3.94Å; F311-F376 HydrophobicContact CZ-CZ 3.94Å
312N96.7Very high93.8Very high21 Ų2129.9 Ų29.911%0.11216%0.159CC..EExtended strand (participates in β ladder)trans-69.3126.7179.3176.726.9000111.7M264 G277 L288 N314M264-N312 VanDerWaalsContact CG-OD1 3.28Å; M264-N312 WeakPolarHBondContact CG-OD1 3.37Å; M264-N312 HydrophobicContact SD-CB 3.77Å; M264-N312 PolarHBondContact SD-OD1 3.47Å; G277-N312 PolarHBondContact O-N 2.96Å; L288-N312 HydrophobicContact CD1-CB 3.85Å; N312-N314 VanDerWaalsContact C-N 3.34Å; N312-N314 WeakPolarHBondContact OD1-CA 3.4Å; N312-N314 PolarHBondContact OD1-N 3.4Å
313T96.6Very high94.1Very high1 Ų130 Ų301%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-83.6-13.2175.167.10000113.4E265 T267 N315 V371 F376E265-T313 WeakPolarHBondContact CB-OG1 3.45Å; E265-T313 WeakPolarHBondContact O-CB 3.36Å; E265-T313 WeakPolarHBondContact O-CG2 3.48Å; E265-T313 PolarHBondContact O-N 3.34Å; E265-T313 VanDerWaalsContact O-N 3.13Å; E265-T313 PolarHBondContact O-OG1 3.5Å; T267-T313 HydrophobicContact CG2-CG2 3.68Å; T313-N315 PolarHBondContact O-N 2.98Å; T313-N315 WeakPolarHBondContact OG1-CB 3.39Å; T313-N315 PolarHBondContact OG1-N 3.34Å; T313-N315 VanDerWaalsContact OG1-N 3.15Å; T313-V371 HydrophobicContact CG2-CG2 4.29Å; T313-F376 HydrophobicContact CG2-CB 4.15Å; T313-F376 HydrophobicContact CG2-CD2 4.01Å; T313-F376 HydrophobicContact CG2-CG 4.23Å; T313-F376 WeakPolarHBondContact O-CE2 3.44Å
314N96.9Very high94.5Very high15 Ų1529.5 Ų29.58%0.0816%0.157CC..EExtended strand (participates in β ladder)trans61.720-168.4-147.846.8000114.3N235 N312 V356N235-N314 PolarHBondContact OD1-ND2 2.68Å; N312-N314 VanDerWaalsContact C-N 3.34Å; N312-N314 WeakPolarHBondContact OD1-CA 3.4Å; N312-N314 PolarHBondContact OD1-N 3.4Å; N314-V356 WeakPolarHBondContact OD1-CG1 3.41Å
315N98.4Very high94.9Very high0 Ų031.3 Ų31.30%016%0.158CC..EExtended strand (participates in β ladder)trans-92.1112.9164.2-60.9-14.9000108F232 V233 N238 A241 E265 T313 R375F232-N315 HydrophobicContact CE2-CB 4Å; F232-N315 HydrophobicContact CZ-CB 4.44Å; V233-N315 CarbonylContact O-C 3.49Å; V233-N315 WeakPolarHBondContact O-CA 3.03Å; N238-N315 PolarHBondContact ND2-OD1 3.46Å; A241-N315 VanDerWaalsContact CB-OD1 3.3Å; A241-N315 WeakPolarHBondContact CB-OD1 3.49Å; E265-N315 HydrophobicContact CB-CB 3.95Å; E265-N315 HydrophobicContact CG-CB 4.03Å; E265-N315 PolarHBondContact N-O 2.93Å; E265-N315 PolarHBondContact OE2-ND2 2.94Å; E265-N315 VanDerWaalsContact OE2-ND2 3.07Å; T313-N315 PolarHBondContact O-N 2.98Å; T313-N315 WeakPolarHBondContact OG1-CB 3.39Å; T313-N315 PolarHBondContact OG1-N 3.34Å; T313-N315 VanDerWaalsContact OG1-N 3.15Å; N315-R375 PolarHBondContact ND2-O 3.35Å
316L98.4Very high95.3Very high0 Ų028.4 Ų28.40%014%0.14CC..EExtended strand (participates in β ladder)trans-126.8141-169.1-50.6175.1000110.8F232 V233 F262 V263 M264 I318 V356F232-L316 CarbonylContact C-O 3.59Å; F232-L316 WeakPolarHBondContact CA-O 3.29Å; V233-L316 HydrophobicContact CB-CB 4.28Å; V233-L316 PolarHBondContact N-O 3.25Å; V233-L316 PolarHBondContact O-N 3.03Å; F262-L316 HydrophobicContact CE1-CD2 4Å; F262-L316 HydrophobicContact CZ-CB 4.43Å; F262-L316 HydrophobicContact CZ-CD1 3.96Å; F262-L316 HydrophobicContact CZ-CD2 4.14Å; F262-L316 HydrophobicContact CZ-CG 4.42Å; V263-L316 CarbonylContact O-C 3.51Å; V263-L316 WeakPolarHBondContact O-CA 3.32Å; M264-L316 HydrophobicContact CB-CD2 3.85Å; M264-L316 HydrophobicContact CE-CD2 3.91Å; M264-L316 HydrophobicContact CG-CD2 3.64Å; L316-I318 HydrophobicContact CB-CD1 4.26Å; L316-I318 HydrophobicContact CB-CG1 4.23Å; L316-V356 HydrophobicContact CD1-CB 4.16Å; L316-V356 HydrophobicContact CD1-CG1 3.58Å; L316-V356 HydrophobicContact CD1-CG2 3.64Å
317W98.4Very high95.7Very high0 Ų026.3 Ų26.30%012%0.122CC..EExtended strand (participates in β ladder)trans-118.4119.5174.2-5272.6000108.7L92 I231 F232 V243 D244 I247 L248 L251 F262 V263 E265L92-W317 HydrophobicContact CD1-CE3 4.1Å; L92-W317 HydrophobicContact CD1-CZ3 3.84Å; L92-W317 HydrophobicContact CD2-CZ3 4.07Å; I231-W317 CarbonylContact O-C 3.17Å; I231-W317 VanDerWaalsContact O-CA 3.31Å; I231-W317 WeakPolarHBondContact O-CA 3.39Å; F232-W317 HydrophobicContact CB-CD2 4.26Å; F232-W317 HydrophobicContact CB-CE3 3.9Å; F232-W317 HydrophobicContact CB-CH2 4.36Å; F232-W317 HydrophobicContact CB-CZ3 3.95Å; F232-W317 AromaticContact CD2-CD2 3.72Å; F232-W317 HydrophobicContact CD2-CD2 3.72Å; F232-W317 AromaticContact CD2-CE2 3.41Å; F232-W317 VanDerWaalsContact CD2-CE2 3.41Å; F232-W317 HydrophobicContact CD2-CE3 4.17Å; F232-W317 HydrophobicContact CD2-CG 4.21Å; F232-W317 HydrophobicContact CD2-CH2 4.15Å; F232-W317 AromaticContact CD2-CZ2 3.66Å; F232-W317 HydrophobicContact CD2-CZ2 3.66Å; F232-W317 HydrophobicContact CD2-CZ3 4.37Å; F232-W317 AromaticContact CD2-NE1 3.7Å; F232-W317 HydrophobicContact CE2-CD2 4.49Å; F232-W317 AromaticContact CE2-CE2 3.76Å; F232-W317 AromaticContact CE2-CZ2 3.86Å; F232-W317 HydrophobicContact CE2-CZ2 3.86Å; F232-W317 AromaticContact CE2-NE1 3.76Å; F232-W317 HydrophobicContact CG-CD2 4.31Å; F232-W317 HydrophobicContact CG-CE3 4.31Å; F232-W317 HydrophobicContact CG-CH2 4.15Å; F232-W317 HydrophobicContact CG-CZ2 4.12Å; F232-W317 HydrophobicContact CG-CZ3 4.24Å; F232-W317 HydrophobicContact CZ-CZ2 4.48Å; V243-W317 HydrophobicContact CG1-CH2 4.35Å; D244-W317 HydrophobicContact CB-CZ2 4.29Å; I247-W317 HydrophobicContact CB-CZ2 4.11Å; I247-W317 HydrophobicContact CG2-CD2 4Å; I247-W317 HydrophobicContact CG2-CG 4.26Å; I247-W317 HydrophobicContact CG2-CZ2 3.96Å; L248-W317 HydrophobicContact CB-CH2 4.42Å; L248-W317 HydrophobicContact CB-CZ3 4.14Å; L248-W317 HydrophobicContact CD1-CZ3 4.26Å; L251-W317 HydrophobicContact CD1-CB 3.54Å; L251-W317 HydrophobicContact CD1-CD2 3.86Å; L251-W317 HydrophobicContact CD1-CE3 3.71Å; L251-W317 HydrophobicContact CD1-CG 3.83Å; F262-W317 CarbonylContact C-O 3.47Å; F262-W317 WeakPolarHBondContact CA-O 3.37Å; V263-W317 HydrophobicContact CB-CB 4.13Å; V263-W317 PolarHBondContact N-O 3.5Å; V263-W317 PolarHBondContact O-N 3.12Å; E265-W317 PolarHBondContact OE1-NE1 3.22Å
318I98.2Very high96.1Very high0 Ų027 Ų270%013%0.126CC..EExtended strand (participates in β ladder)trans-131.2135.1-168.5-44.7174.4000110Y211 Y230 I231 V233 E261 F262 L316 L320 I323 V356 F363Y211-I318 HydrophobicContact CE1-CD1 4.06Å; Y230-I318 CarbonylContact C-O 3.57Å; Y230-I318 WeakPolarHBondContact CA-O 3.45Å; I231-I318 HydrophobicContact CD1-CB 4.24Å; I231-I318 HydrophobicContact CD1-CD1 4.44Å; I231-I318 HydrophobicContact CG1-CB 3.8Å; I231-I318 HydrophobicContact CG1-CG1 4.43Å; I231-I318 PolarHBondContact N-O 2.72Å; I231-I318 PolarHBondContact O-N 3.11Å; V233-I318 HydrophobicContact CG2-CD1 4.17Å; E261-I318 WeakPolarHBondContact O-CA 3.35Å; F262-I318 HydrophobicContact CD2-CB 4.37Å; F262-I318 HydrophobicContact CD2-CD1 4.06Å; F262-I318 HydrophobicContact CD2-CG1 3.77Å; F262-I318 HydrophobicContact CD2-CG2 3.87Å; F262-I318 HydrophobicContact CE2-CD1 3.52Å; F262-I318 HydrophobicContact CE2-CG1 3.69Å; F262-I318 HydrophobicContact CE2-CG2 4.37Å; F262-I318 HydrophobicContact CG-CG1 4.47Å; F262-I318 HydrophobicContact CZ-CD1 4.16Å; F262-I318 HydrophobicContact CZ-CG1 4.32Å; L316-I318 HydrophobicContact CB-CD1 4.26Å; L316-I318 HydrophobicContact CB-CG1 4.23Å; I318-L320 PolarHBondContact O-N 2.71Å; I318-I323 HydrophobicContact CB-CD1 4.15Å; I318-I323 HydrophobicContact CG2-CD1 3.66Å; I318-I323 HydrophobicContact CG2-CG1 3.63Å; I318-V356 HydrophobicContact CD1-CG2 4.44Å; I318-F363 HydrophobicContact CG2-CD1 4.42Å; I318-F363 HydrophobicContact CG2-CE1 3.58Å; I318-F363 HydrophobicContact CG2-CZ 3.63Å
319S97.6Very high96.3Very high1 Ų132 Ų321%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-72122.2177.1176.10000110.9E229 R259 E261 P321 A322 I323E229-S319 WeakPolarHBondContact O-CA 3.3Å; R259-S319 PolarHBondContact NE-OG 2.75Å; E261-S319 WeakPolarHBondContact O-CB 3.25Å; E261-S319 PolarHBondContact O-N 2.68Å; S319-P321 WeakPolarHBondContact OG-CD 3.27Å; S319-A322 PolarHBondContact O-N 3.09Å; S319-I323 WeakPolarHBondContact O-CG1 3.14Å; S319-I323 PolarHBondContact O-N 2.95Å; S319-I323 VanDerWaalsContact O-N 3.08Å
320L97.3Very high96.2Very high0 Ų031.2 Ų31.20%015%0.152CC..Hα-helixtrans-58.5-48178-77.9163.8000112.4V93 F214 L220 L223 I224 K228 E229 I231 I318 A322 I323 K324V93-L320 HydrophobicContact CG2-CD1 4.44Å; F214-L320 HydrophobicContact CE1-CD2 3.61Å; F214-L320 HydrophobicContact CZ-CD2 4.13Å; L220-L320 HydrophobicContact CD1-CB 4.47Å; L220-L320 HydrophobicContact CD1-CD2 3.37Å; L223-L320 HydrophobicContact CB-CD1 4.42Å; I224-L320 HydrophobicContact CD1-CB 4.14Å; I224-L320 HydrophobicContact CG1-CB 3.76Å; I224-L320 HydrophobicContact CG1-CD1 4.5Å; K228-L320 HydrophobicContact CB-CD1 3.57Å; K228-L320 WeakPolarHBondContact O-CD1 3.36Å; E229-L320 PolarHBondContact O-N 3.02Å; I231-L320 HydrophobicContact CG2-CD1 4.24Å; I231-L320 HydrophobicContact CG2-CD2 3.47Å; I231-L320 VanDerWaalsContact CG2-CD2 3.47Å; I231-L320 HydrophobicContact CG2-CG 3.77Å; I318-L320 PolarHBondContact O-N 2.71Å; L320-A322 VanDerWaalsContact C-N 3.27Å; L320-A322 PolarHBondContact O-N 3.48Å; L320-I323 PolarHBondContact O-N 2.89Å; L320-K324 PolarHBondContact O-N 3.24Å; L320-K324 VanDerWaalsContact O-N 3.12Å
321P96.2Very high96.1Very high52 Ų5232.2 Ų32.234%0.33816%0.164SC..Hα-helixtrans-58.5-35.7175-26.334000114S319 K324 R325S319-P321 WeakPolarHBondContact OG-CD 3.27Å; P321-K324 PolarHBondContact O-N 3.46Å; P321-R325 WeakPolarHBondContact O-CB 3.36Å; P321-R325 PolarHBondContact O-N 3.35Å
322A96.9Very high95.8Very high1 Ų133.1 Ų33.11%0.00817%0.169CC..Hα-helixtrans-70.8-39.7179.900000111.5E261 S319 L320 K324 R325 L326 F363E261-A322 HydrophobicContact CB-CB 3.85Å; E261-A322 HydrophobicContact CG-CB 3.99Å; S319-A322 PolarHBondContact O-N 3.09Å; L320-A322 VanDerWaalsContact C-N 3.27Å; L320-A322 PolarHBondContact O-N 3.48Å; A322-K324 VanDerWaalsContact C-N 3.33Å; A322-K324 PolarHBondContact O-N 3.49Å; A322-R325 PolarHBondContact O-N 3.01Å; A322-L326 WeakPolarHBondContact O-CB 3.48Å; A322-L326 VanDerWaalsContact O-CG 3.31Å; A322-L326 WeakPolarHBondContact O-CG 3.37Å; A322-L326 PolarHBondContact O-N 3.03Å; A322-F363 HydrophobicContact CB-CD1 3.79Å; A322-F363 HydrophobicContact CB-CE1 3.8Å
323I97.1Very high95.5Very high1 Ų135.4 Ų35.41%0.00518%0.181CC..Hα-helixtrans-56.7-49.7172.1-65.8168.8000110Y211 L220 I231 I318 S319 L320 L326 Q327 F363Y211-I323 HydrophobicContact CD1-CD1 4.45Å; Y211-I323 HydrophobicContact CD1-CG1 4.14Å; Y211-I323 HydrophobicContact CD1-CG2 4.13Å; Y211-I323 HydrophobicContact CE1-CG1 4.32Å; L220-I323 HydrophobicContact CD1-CB 4.34Å; L220-I323 HydrophobicContact CD1-CG2 4.15Å; L220-I323 HydrophobicContact CD2-CG2 4.17Å; I231-I323 HydrophobicContact CD1-CD1 3.54Å; I231-I323 HydrophobicContact CG1-CD1 4.17Å; I318-I323 HydrophobicContact CB-CD1 4.15Å; I318-I323 HydrophobicContact CG2-CD1 3.66Å; I318-I323 HydrophobicContact CG2-CG1 3.63Å; S319-I323 WeakPolarHBondContact O-CG1 3.14Å; S319-I323 PolarHBondContact O-N 2.95Å; S319-I323 VanDerWaalsContact O-N 3.08Å; L320-I323 PolarHBondContact O-N 2.89Å; I323-L326 PolarHBondContact O-N 3.43Å; I323-Q327 WeakPolarHBondContact O-CB 3.25Å; I323-Q327 PolarHBondContact O-N 3.4Å; I323-F363 HydrophobicContact CG1-CE1 4.26Å; I323-F363 HydrophobicContact CG1-CZ 4.2Å
324K96.9Very high95.3Very high61 Ų6136.2 Ų36.227%0.26519%0.185SC..Hα-helixtrans-58-52.2179.6-175.9169.9179166.20111.7L220 D221 I224 L320 P321 A322 L326 Q327 E328L220-K324 HydrophobicContact CD2-CB 3.86Å; L220-K324 HydrophobicContact CD2-CG 4.38Å; D221-K324 WeakPolarHBondContact OD1-CE 3.24Å; D221-K324 IonicContact OD1-NZ 2.69Å; D221-K324 PolarHBondContact OD1-NZ 3.01Å; I224-K324 HydrophobicContact CD1-CB 4.3Å; I224-K324 HydrophobicContact CD1-CD 4.17Å; L320-K324 PolarHBondContact O-N 3.24Å; L320-K324 VanDerWaalsContact O-N 3.12Å; P321-K324 PolarHBondContact O-N 3.46Å; A322-K324 VanDerWaalsContact C-N 3.33Å; A322-K324 PolarHBondContact O-N 3.49Å; K324-L326 PolarHBondContact O-N 3.17Å; K324-Q327 PolarHBondContact O-N 3.46Å; K324-E328 WeakPolarHBondContact CE-OE1 3.43Å; K324-E328 HydrophobicContact CG-CG 4.4Å; K324-E328 IonicContact NZ-OE1 3.92Å; K324-E328 WeakPolarHBondContact O-CB 3.34Å; K324-E328 WeakPolarHBondContact O-CG 3.2Å; K324-E328 PolarHBondContact O-N 3.28Å
325R97.2Very high95Very high77 Ų7736.1 Ų36.129%0.29118%0.184SC..Hα-helixtrans-55.9-51179.3-177.9-174.570.1-130.9-1.9112.1E261 P321 A322 Q327 Q329 D364E261-R325 IonicContact OE1-CZ 3.22Å; E261-R325 VanDerWaalsContact OE1-CZ 3.27Å; E261-R325 IonicContact OE1-NH1 2.74Å; E261-R325 PolarHBondContact OE1-NH1 2.94Å; E261-R325 IonicContact OE1-NH2 3.75Å; E261-R325 PolarHBondContact OE1-NH2 2.81Å; E261-R325 IonicContact OE2-CZ 2.8Å; E261-R325 IonicContact OE2-NH2 2.98Å; E261-R325 PolarHBondContact OE2-NH2 2.9Å; P321-R325 WeakPolarHBondContact O-CB 3.36Å; P321-R325 PolarHBondContact O-N 3.35Å; A322-R325 PolarHBondContact O-N 3.01Å; R325-Q327 VanDerWaalsContact C-N 3.35Å; R325-Q329 WeakPolarHBondContact O-CB 3.36Å; R325-Q329 WeakPolarHBondContact O-CG 3.35Å; R325-Q329 PolarHBondContact O-N 3.41Å; R325-Q329 VanDerWaalsContact O-N 3.13Å; R325-D364 IonicContact NH2-OD2 2.8Å
326L96.3Very high94.7Very high9 Ų937.8 Ų37.85%0.04719%0.192CC..Hα-helixtrans-68.3-34.9-177-69.8172.6000112.1A322 I323 K324 N330 A331 M332 C362 F363A322-L326 WeakPolarHBondContact O-CB 3.48Å; A322-L326 VanDerWaalsContact O-CG 3.31Å; A322-L326 WeakPolarHBondContact O-CG 3.37Å; A322-L326 PolarHBondContact O-N 3.03Å; I323-L326 PolarHBondContact O-N 3.43Å; K324-L326 PolarHBondContact O-N 3.17Å; L326-N330 PolarHBondContact O-N 3.05Å; L326-A331 HydrophobicContact CD2-CB 3.9Å; L326-A331 PolarHBondContact O-N 3.03Å; L326-M332 HydrophobicContact CB-CE 3.93Å; L326-M332 HydrophobicContact CB-CG 4.03Å; L326-M332 HydrophobicContact CB-SD 4.03Å; L326-M332 HydrophobicContact CD1-CE 4.11Å; L326-M332 HydrophobicContact CD1-SD 4.11Å; L326-C362 HydrophobicContact CD1-CB 4.17Å; L326-F363 HydrophobicContact CD1-CD1 3.66Å; L326-F363 HydrophobicContact CD1-CD2 4.08Å; L326-F363 HydrophobicContact CD1-CE1 3.63Å; L326-F363 HydrophobicContact CD1-CE2 4.02Å; L326-F363 HydrophobicContact CD1-CG 3.91Å; L326-F363 HydrophobicContact CD1-CZ 3.82Å
327Q93.8Very high94.3Very high35 Ų3540.7 Ų40.716%0.16421%0.207CC..Hα-helixtrans-71.2-44.5178.3-170.363.624.600111.8Y215 I323 K324 R325 Q329 N330Y215-Q327 HydrophobicContact CD1-CG 4.24Å; Y215-Q327 HydrophobicContact CD2-CB 4.39Å; Y215-Q327 HydrophobicContact CD2-CG 4.1Å; Y215-Q327 HydrophobicContact CG-CG 3.83Å; I323-Q327 WeakPolarHBondContact O-CB 3.25Å; I323-Q327 PolarHBondContact O-N 3.4Å; K324-Q327 PolarHBondContact O-N 3.46Å; R325-Q327 VanDerWaalsContact C-N 3.35Å; Q327-Q329 VanDerWaalsContact C-N 3.28Å; Q327-Q329 PolarHBondContact O-N 2.96Å; Q327-N330 PolarHBondContact O-N 2.97Å; Q327-N330 VanDerWaalsContact O-N 3.1Å
328E94.2Very high94Very high101 Ų10143.9 Ų43.947%0.47223%0.227SC..Hα-helixtrans-63.1-35176.7-73174.7168.500112.2Y215 K324 N330Y215-E328 HydrophobicContact CE2-CG 3.99Å; K324-E328 WeakPolarHBondContact CE-OE1 3.43Å; K324-E328 HydrophobicContact CG-CG 4.4Å; K324-E328 IonicContact NZ-OE1 3.92Å; K324-E328 WeakPolarHBondContact O-CB 3.34Å; K324-E328 WeakPolarHBondContact O-CG 3.2Å; K324-E328 PolarHBondContact O-N 3.28Å; E328-N330 VanDerWaalsContact C-N 3.28Å; E328-N330 PolarHBondContact O-N 3.15Å
329Q94.4Very high93.6Very high125 Ų12546.3 Ų46.358%0.58424%0.239SC*.THydrogen-bonded Turntrans-81-4.9176.7-67.8172.70.900113.6R325 Q327 A331R325-Q329 WeakPolarHBondContact O-CB 3.36Å; R325-Q329 WeakPolarHBondContact O-CG 3.35Å; R325-Q329 PolarHBondContact O-N 3.41Å; R325-Q329 VanDerWaalsContact O-N 3.13Å; Q327-Q329 VanDerWaalsContact C-N 3.28Å; Q327-Q329 PolarHBondContact O-N 2.96Å; Q329-A331 HydrophobicContact CB-CB 4.1Å; Q329-A331 PolarHBondContact O-N 2.77Å
330N89.1Confident93.3Very high128 Ų12850.4 Ų50.468%0.68427%0.266SS*.THydrogen-bonded Turntrans50.633.5-169.3-57.6-71.6000113.1L326 Q327 E328L326-N330 PolarHBondContact O-N 3.05Å; Q327-N330 PolarHBondContact O-N 2.97Å; Q327-N330 VanDerWaalsContact O-N 3.1Å; E328-N330 VanDerWaalsContact C-N 3.28Å; E328-N330 PolarHBondContact O-N 3.15Å
331A91.8Very high93Very high42 Ų4254.7 Ų54.735%0.34729%0.285SS..  trans-90.91.9-176.600000113.4L326 Q329 D333 C362L326-A331 HydrophobicContact CD2-CB 3.9Å; L326-A331 PolarHBondContact O-N 3.03Å; Q329-A331 HydrophobicContact CB-CB 4.1Å; Q329-A331 PolarHBondContact O-N 2.77Å; A331-D333 PolarHBondContact O-N 2.83Å; A331-D333 VanDerWaalsContact O-N 3.12Å; A331-C362 PolarHBondContact O-SG 2.99Å; A331-C362 VanDerWaalsContact O-SG 3.36Å
332M90.5Very high92.7Very high26 Ų2656.4 Ų56.413%0.12829%0.294CS..  trans-7299.1174.6-74.2-67.4-158.800110.7Y211 L326 A359 F363Y211-M332 HydrophobicContact CD1-CE 3.34Å; Y211-M332 HydrophobicContact CD2-CE 4.12Å; Y211-M332 HydrophobicContact CD2-SD 4.35Å; Y211-M332 HydrophobicContact CE1-CE 3.79Å; Y211-M332 HydrophobicContact CG-CE 3.52Å; Y211-M332 HydrophobicContact CG-SD 4.3Å; L326-M332 HydrophobicContact CB-CE 3.93Å; L326-M332 HydrophobicContact CB-CG 4.03Å; L326-M332 HydrophobicContact CB-SD 4.03Å; L326-M332 HydrophobicContact CD1-CE 4.11Å; L326-M332 HydrophobicContact CD1-SD 4.11Å; M332-A359 HydrophobicContact SD-CB 4.22Å; M332-F363 HydrophobicContact CE-CE1 4.49Å; M332-F363 HydrophobicContact CE-CE2 3.99Å; M332-F363 HydrophobicContact CE-CZ 3.58Å; M332-F363 HydrophobicContact SD-CE2 4.18Å; M332-F363 HydrophobicContact SD-CZ 4.35Å
333D89.6Confident92.2Very high69 Ų6957.6 Ų57.637%0.36930%0.301SS..  trans-105.7112.3175.9-178.641.4000110.2R48 A331 K361 C362R48-D333 IonicContact CZ-OD1 2.71Å; R48-D333 IonicContact NE-OD1 2.95Å; R48-D333 IonicContact NH2-OD1 2.68Å; R48-D333 PolarHBondContact NH2-OD1 2.85Å; A331-D333 PolarHBondContact O-N 2.83Å; A331-D333 VanDerWaalsContact O-N 3.12Å; D333-K361 WeakPolarHBondContact O-CE 3.46Å; D333-K361 VanDerWaalsContact OD2-CE 3.25Å; D333-K361 WeakPolarHBondContact OD2-CE 3.39Å; D333-K361 IonicContact OD2-NZ 3.8Å; D333-K361 PolarHBondContact OD2-NZ 3.3Å; D333-C362 PolarHBondContact N-SG 3Å; D333-C362 PolarHBondContact O-SG 3.18Å; D333-C362 VanDerWaalsContact O-SG 3.42Å
334M92.7Very high91.1Very high18 Ų1865.2 Ų65.29%0.08934%0.341CS..  trans-125.3140.2178.1-65.8176.6-74.100109.9R48 Y211 T354 A355 A358 A359R48-M334 PolarHBondContact NH1-O 3.45Å; R48-M334 PolarHBondContact NH2-O 3.21Å; Y211-M334 HydrophobicContact CD2-CE 4.07Å; Y211-M334 HydrophobicContact CD2-SD 3.95Å; Y211-M334 HydrophobicContact CE2-CE 4.47Å; Y211-M334 HydrophobicContact CE2-SD 3.74Å; M334-T354 HydrophobicContact CB-CG2 4.12Å; M334-T354 HydrophobicContact CE-CG2 4.47Å; M334-A355 VanDerWaalsContact SD-O 3.37Å; M334-A358 HydrophobicContact CB-CB 4.08Å; M334-A358 HydrophobicContact CG-CB 4.21Å; M334-A359 HydrophobicContact CG-CB 3.82Å; M334-A359 HydrophobicContact SD-CB 4.02Å
335E91Very high90.1Very high12 Ų1266.4 Ų66.46%0.05637%0.371CS..  trans-62.7139.4176.3-66.674.4-159.100111.5S56 R287 A358 K361S56-E335 WeakPolarHBondContact OG-CG 3.38Å; R287-E335 IonicContact CZ-OE1 2.86Å; R287-E335 IonicContact NE-OE1 3.55Å; R287-E335 PolarHBondContact NE-OE1 3.1Å; R287-E335 IonicContact NH2-OE1 3.49Å; R287-E335 PolarHBondContact NH2-OE1 2.69Å; E335-A358 VanDerWaalsContact OE2-CB 3.32Å; E335-A358 WeakPolarHBondContact OE2-CB 3.45Å; E335-K361 WeakPolarHBondContact OE1-CE 3.07Å; E335-K361 IonicContact OE1-NZ 3.67Å; E335-K361 PolarHBondContact OE1-NZ 2.9Å
336I91.4Very high89.5Confident35 Ų3565.1 Ų65.118%0.17938%0.381CS..EExtended strand (participates in β ladder)trans-79.6127.2178.2-55.4179.8000108.6L45 R48 F49 V338 L352L45-I336 HydrophobicContact CD1-CD1 3.94Å; L45-I336 HydrophobicContact CD1-CG1 3.77Å; L45-I336 HydrophobicContact CD1-CG2 4.32Å; R48-I336 HydrophobicContact CB-CD1 3.66Å; F49-I336 HydrophobicContact CB-CD1 3.92Å; F49-I336 VanDerWaalsContact N-CD1 3.29Å; I336-V338 HydrophobicContact CG2-CG2 4.22Å; I336-L352 HydrophobicContact CG2-CB 4.39Å; I336-L352 HydrophobicContact CG2-CD2 4.17Å
337I90.3Very high89Confident62 Ų6267.7 Ų67.732%0.31840%0.395SS..EExtended strand (participates in β ladder)trans-99.2115.8172.5-59.1172.4000107E353 A355I337-E353 HydrophobicContact CB-CB 4.37Å; I337-E353 PolarHBondContact N-O 3.26Å; I337-E353 PolarHBondContact O-N 3.04Å; I337-A355 HydrophobicContact CD1-CB 3.94Å
338V90.9Very high89Confident67 Ų6769.1 Ų69.141%0.40640%0.403SS..EExtended strand (participates in β ladder)trans-96111177.6-173.80000108F49 I336 P340 V350 L352F49-V338 HydrophobicContact CD2-CG2 3.9Å; F49-V338 HydrophobicContact CE2-CG1 4.35Å; F49-V338 HydrophobicContact CE2-CG2 3.77Å; I336-V338 HydrophobicContact CG2-CG2 4.22Å; V338-P340 VanDerWaalsContact O-CD 3.27Å; V338-P340 WeakPolarHBondContact O-CD 3.41Å; V338-V350 HydrophobicContact CG1-CG1 3.48Å; V338-V350 VanDerWaalsContact CG1-CG1 3.48Å; V338-L352 HydrophobicContact CB-CD2 4.49Å; V338-L352 HydrophobicContact CG1-CD2 4.28Å; V338-L352 HydrophobicContact CG2-CD2 4Å
339N91Very high89Confident50 Ų5064.3 Ų64.327%0.26738%0.381SS..EExtended strand (participates in β ladder)trans-108.497.6-177.3-171.613.6000110.2K341 Q351N339-K341 WeakPolarHBondContact ND2-CE 3.32Å; N339-Q351 HydrophobicContact CB-CB 4.17Å; N339-Q351 PolarHBondContact N-O 3.26Å; N339-Q351 PolarHBondContact O-N 3.49Å
340P91.4Very high89Confident88 Ų8859 Ų5957%0.57136%0.357SS*.EExtended strand (participates in β ladder)trans-72.5132.1175.129.5-33000110.3V338 V349V338-P340 VanDerWaalsContact O-CD 3.27Å; V338-P340 WeakPolarHBondContact O-CD 3.41Å; P340-V349 WeakPolarHBondContact CA-O 3.29Å
341K90.3Very high89.2Confident90 Ų9053.1 Ų53.139%0.39133%0.325SS..EExtended strand (participates in β ladder)trans-134.3160.1175.4-73-173178.5156.80111N339 V349N339-K341 WeakPolarHBondContact ND2-CE 3.32Å; K341-V349 HydrophobicContact CB-CG2 3.98Å; K341-V349 PolarHBondContact N-O 3.38Å; K341-V349 WeakPolarHBondContact O-CG2 3.44Å; K341-V349 PolarHBondContact O-N 3.09Å; K341-V349 VanDerWaalsContact O-O 3.07Å
342T89.9Confident89.3Confident88 Ų8851.1 Ų51.154%0.5431%0.309SS..EExtended strand (participates in β ladder)trans-116.8123.3170.1-54.30000107.3L347 N348T342-L347 WeakPolarHBondContact CA-O 3.11Å; T342-N348 PolarHBondContact OG1-OD1 3.12Å
343L85.6Confident89.5Confident26 Ų2651.8 Ų51.814%0.13631%0.312CS..  trans-80.9164.2178.4-56.2-170.1000111.2D200 G345 G346 L347 V349D200-L343 HydrophobicContact CB-CD1 4.47Å; L343-G345 PolarHBondContact O-N 3.43Å; L343-G345 VanDerWaalsContact O-N 3.16Å; L343-G346 PolarHBondContact O-N 3.25Å; L343-L347 HydrophobicContact CB-CB 4.42Å; L343-L347 PolarHBondContact N-O 3.45Å; L343-V349 HydrophobicContact CD1-CG1 3.81Å; L343-V349 HydrophobicContact CD1-CG2 4.31Å; L343-V349 HydrophobicContact CD2-CG2 3.76Å; L343-V349 HydrophobicContact CG-CG1 3.87Å; L343-V349 HydrophobicContact CG-CG2 3.79Å
344D74.1Confident89.7Confident161 Ų16149.1 Ų49.186%0.86130%0.298SS*.THydrogen-bonded Turntrans-59.1118171.7-65.7-19.2000108.8
345G76.8Confident89.8Confident86 Ų8648.5 Ų48.589%0.88730%0.296SS*.THydrogen-bonded Turntrans109.50.1-16900000114.9L343 L347L343-G345 PolarHBondContact O-N 3.43Å; L343-G345 VanDerWaalsContact O-N 3.16Å; G345-L347 VanDerWaalsContact C-N 3.33Å; G345-L347 PolarHBondContact O-N 2.94Å
346G83.9Confident90Very high49 Ų4947.9 Ų47.951%0.50529%0.293SS..SBendtrans83.65.4172.800000114.7L343 N348L343-G346 PolarHBondContact O-N 3.25Å; G346-N348 PolarHBondContact O-N 3.36Å
347L87.3Confident90.2Very high64 Ų6446.2 Ų46.234%0.33528%0.284SS..  trans-70.6121.2179.1-166.670.2000110.7H181 V188 T342 L343 G345 V349H181-L347 VanDerWaalsContact CD2-CD1 3.47Å; H181-L347 WeakPolarHBondContact CD2-CD1 2.97Å; H181-L347 VanDerWaalsContact NE2-CD1 3.33Å; H181-L347 WeakPolarHBondContact NE2-CD1 3.47Å; V188-L347 HydrophobicContact CG1-CD2 3.87Å; V188-L347 HydrophobicContact CG2-CD2 4.34Å; T342-L347 WeakPolarHBondContact CA-O 3.11Å; L343-L347 HydrophobicContact CB-CB 4.42Å; L343-L347 PolarHBondContact N-O 3.45Å; G345-L347 VanDerWaalsContact C-N 3.33Å; G345-L347 PolarHBondContact O-N 2.94Å; L347-V349 HydrophobicContact CD2-CG1 4.11Å; L347-V349 HydrophobicContact CG-CG1 4.18Å
348N93.4Very high90.5Very high64 Ų6443.4 Ų43.434%0.34227%0.27SS..EExtended strand (participates in β ladder)trans-85.1122.2177.7-68.8-48.2000110.7K182 T342 G346K182-N348 HydrophobicContact CB-CB 4.06Å; K182-N348 VanDerWaalsContact CB-O 3.29Å; K182-N348 WeakPolarHBondContact CB-O 3.25Å; K182-N348 HydrophobicContact CD-CB 4.02Å; K182-N348 PolarHBondContact N-O 2.94Å; T342-N348 PolarHBondContact OG1-OD1 3.12Å; G346-N348 PolarHBondContact O-N 3.36Å
349V93.8Very high90.7Very high1 Ų140.2 Ų40.21%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-127.6161.7-176.2-56.90000111.6R179 I180 V188 P340 K341 L343 L347R179-V349 HydrophobicContact CB-CB 4.42Å; I180-V349 CarbonylContact O-C 3.4Å; I180-V349 VanDerWaalsContact O-CA 3.24Å; I180-V349 WeakPolarHBondContact O-CA 3.22Å; I180-V349 WeakPolarHBondContact O-CB 3.4Å; V188-V349 HydrophobicContact CG2-CG1 3.78Å; P340-V349 WeakPolarHBondContact CA-O 3.29Å; K341-V349 HydrophobicContact CB-CG2 3.98Å; K341-V349 PolarHBondContact N-O 3.38Å; K341-V349 WeakPolarHBondContact O-CG2 3.44Å; K341-V349 PolarHBondContact O-N 3.09Å; K341-V349 VanDerWaalsContact O-O 3.07Å; L343-V349 HydrophobicContact CD1-CG1 3.81Å; L343-V349 HydrophobicContact CD1-CG2 4.31Å; L343-V349 HydrophobicContact CD2-CG2 3.76Å; L343-V349 HydrophobicContact CG-CG1 3.87Å; L343-V349 HydrophobicContact CG-CG2 3.79Å; L347-V349 HydrophobicContact CD2-CG1 4.11Å; L347-V349 HydrophobicContact CG-CG1 4.18Å
350V93.5Very high91Very high14 Ų1437.9 Ų37.99%0.08524%0.239CC..EExtended strand (participates in β ladder)trans-124.3135.4176.9177.80000109I180 K182 V338 L352I180-V350 HydrophobicContact CB-CB 4.48Å; I180-V350 PolarHBondContact N-O 2.99Å; I180-V350 PolarHBondContact O-N 3.14Å; K182-V350 HydrophobicContact CB-CG2 4.13Å; K182-V350 HydrophobicContact CG-CG2 4.07Å; V338-V350 HydrophobicContact CG1-CG1 3.48Å; V338-V350 VanDerWaalsContact CG1-CG1 3.48Å; V350-L352 HydrophobicContact CG1-CD2 3.96Å
351Q94.5Very high91.1Very high3 Ų335.1 Ų35.11%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-113.5133.3172.1-67.3175.1-16.700108.4R179 Y203 N339R179-Q351 HydrophobicContact CG-CG 4.14Å; Y203-Q351 HydrophobicContact CD1-CB 4.5Å; Y203-Q351 HydrophobicContact CD1-CG 3.98Å; Y203-Q351 HydrophobicContact CD2-CB 3.73Å; Y203-Q351 HydrophobicContact CD2-CG 3.8Å; Y203-Q351 HydrophobicContact CE1-CB 4.44Å; Y203-Q351 HydrophobicContact CE1-CG 4.31Å; Y203-Q351 HydrophobicContact CE2-CB 3.67Å; Y203-Q351 HydrophobicContact CE2-CG 4.16Å; Y203-Q351 HydrophobicContact CG-CB 4.17Å; Y203-Q351 HydrophobicContact CG-CG 3.73Å; N339-Q351 HydrophobicContact CB-CB 4.17Å; N339-Q351 PolarHBondContact N-O 3.26Å; N339-Q351 PolarHBondContact O-N 3.49Å
352L94Very high91.4Very high0 Ų031.7 Ų31.70%021%0.205CC..EExtended strand (participates in β ladder)trans-107.4113.5177.4-57.1-178.1000108.1L45 F46 F49 I180 Y203 I336 V338 V350L45-L352 HydrophobicContact CD2-CB 3.62Å; L45-L352 WeakPolarHBondContact CD2-O 3.45Å; L45-L352 HydrophobicContact CG-CB 4.05Å; F46-L352 HydrophobicContact CD2-CD1 4.15Å; F49-L352 HydrophobicContact CB-CD1 3.87Å; F49-L352 HydrophobicContact CB-CD2 4.47Å; F49-L352 HydrophobicContact CD1-CD1 4.15Å; F49-L352 HydrophobicContact CD2-CD2 3.74Å; F49-L352 HydrophobicContact CE2-CD2 4.09Å; F49-L352 HydrophobicContact CG-CD1 3.93Å; F49-L352 HydrophobicContact CG-CD2 3.99Å; I180-L352 HydrophobicContact CD1-CD1 3.67Å; I180-L352 HydrophobicContact CD1-CG 3.96Å; Y203-L352 VanDerWaalsContact CE2-O 3.32Å; Y203-L352 WeakPolarHBondContact CE2-O 3.47Å; Y203-L352 PolarHBondContact OH-N 2.97Å; Y203-L352 PolarHBondContact OH-O 3.04Å; I336-L352 HydrophobicContact CG2-CB 4.39Å; I336-L352 HydrophobicContact CG2-CD2 4.17Å; V338-L352 HydrophobicContact CB-CD2 4.49Å; V338-L352 HydrophobicContact CG1-CD2 4.28Å; V338-L352 HydrophobicContact CG2-CD2 4Å; V350-L352 HydrophobicContact CG1-CD2 3.96Å
353E94Very high91.7Very high40 Ų4027.8 Ų27.819%0.18718%0.18CC..EExtended strand (participates in β ladder)trans-123.8166.5-176.1-62177.9-148.700110.4Y203 P205 I337Y203-E353 HydrophobicContact CD2-CG 4.22Å; Y203-E353 HydrophobicContact CE2-CG 3.9Å; P205-E353 WeakPolarHBondContact O-CA 3.48Å; I337-E353 HydrophobicContact CB-CB 4.37Å; I337-E353 PolarHBondContact N-O 3.26Å; I337-E353 PolarHBondContact O-N 3.04Å
354T94.4Very high92.1Very high13 Ų1330.3 Ų30.38%0.0819%0.194CC..EExtended strand (participates in β ladder)trans-132.9157.7171.4560000111.2L45 P205 G208 M334L45-T354 HydrophobicContact CD1-CG2 3.92Å; P205-T354 PolarHBondContact O-N 2.95Å; P205-T354 VanDerWaalsContact O-N 3.13Å; G208-T354 WeakPolarHBondContact CA-O 3.44Å; G208-T354 WeakPolarHBondContact CA-OG1 3.28Å; G208-T354 PolarHBondContact N-O 3.48Å; M334-T354 HydrophobicContact CB-CG2 4.12Å; M334-T354 HydrophobicContact CE-CG2 4.47Å
355A94.1Very high93Very high5 Ų526.6 Ų26.64%0.04117%0.174CC..  trans-102.8136.4-179.900000112.7H207 M334 I337 G357 A358H207-A355 WeakPolarHBondContact CE1-CA 3.45Å; H207-A355 WeakPolarHBondContact ND1-CA 3.44Å; M334-A355 VanDerWaalsContact SD-O 3.37Å; I337-A355 HydrophobicContact CD1-CB 3.94Å; A355-G357 VanDerWaalsContact C-N 3.31Å; A355-G357 PolarHBondContact O-N 3.13Å; A355-A358 HydrophobicContact CB-CB 4.05Å; A355-A358 VanDerWaalsContact O-CB 3.25Å; A355-A358 WeakPolarHBondContact O-CB 3.33Å; A355-A358 PolarHBondContact O-N 3.44Å; A355-A358 VanDerWaalsContact O-N 3.1Å
356V96.1Very high93.8Very high0 Ų023.5 Ų23.50%014%0.14CC..G310 helixtrans-64.2-40.6-178.857.60000110.8H207 I210 Y211 N314 L316 I318 A358 A359H207-V356 HydrophobicContact CB-CG1 4.35Å; H207-V356 PolarHBondContact CE1-N 3.3Å; H207-V356 VanDerWaalsContact CE1-N 3.34Å; H207-V356 PolarHBondContact ND1-N 3.04Å; I210-V356 HydrophobicContact CG2-CB 4.2Å; I210-V356 HydrophobicContact CG2-CG2 3.61Å; Y211-V356 HydrophobicContact CE2-CG2 4.16Å; Y211-V356 VanDerWaalsContact OH-CG2 3.29Å; Y211-V356 WeakPolarHBondContact OH-CG2 3.22Å; Y211-V356 PolarHBondContact OH-O 3.49Å; N314-V356 WeakPolarHBondContact OD1-CG1 3.41Å; L316-V356 HydrophobicContact CD1-CB 4.16Å; L316-V356 HydrophobicContact CD1-CG1 3.58Å; L316-V356 HydrophobicContact CD1-CG2 3.64Å; I318-V356 HydrophobicContact CD1-CG2 4.44Å; V356-A358 VanDerWaalsContact C-N 3.25Å; V356-A358 PolarHBondContact O-N 3.16Å; V356-A359 PolarHBondContact O-N 2.96Å
357G95.4Very high94.3Very high0 Ų022.4 Ų22.40%012%0.122CC..G310 helixtrans-68.7-19.2176.900000114.4M264 A355 A359 I360M264-G357 WeakPolarHBondContact CE-O 3.42Å; A355-G357 VanDerWaalsContact C-N 3.31Å; A355-G357 PolarHBondContact O-N 3.13Å; G357-A359 PolarHBondContact O-N 3.46Å; G357-I360 WeakPolarHBondContact O-CB 3.49Å; G357-I360 WeakPolarHBondContact O-CG2 3.47Å; G357-I360 PolarHBondContact O-N 3.42Å
358A95.2Very high94.7Very high3 Ų319.4 Ų19.43%0.02511%0.106CC..G310 helixtrans-66.5-28.5177.200000112.2M334 E335 A355 V356 I360M334-A358 HydrophobicContact CB-CB 4.08Å; M334-A358 HydrophobicContact CG-CB 4.21Å; E335-A358 VanDerWaalsContact OE2-CB 3.32Å; E335-A358 WeakPolarHBondContact OE2-CB 3.45Å; A355-A358 HydrophobicContact CB-CB 4.05Å; A355-A358 VanDerWaalsContact O-CB 3.25Å; A355-A358 WeakPolarHBondContact O-CB 3.33Å; A355-A358 PolarHBondContact O-N 3.44Å; A355-A358 VanDerWaalsContact O-N 3.1Å; V356-A358 VanDerWaalsContact C-N 3.25Å; V356-A358 PolarHBondContact O-N 3.16Å; A358-I360 PolarHBondContact O-N 2.72Å; A358-I360 VanDerWaalsContact O-N 3.16Å
359A96.1Very high94.9Very high0 Ų016.4 Ų16.40%09%0.09CC..G310 helixtrans-68.2-11.6-179.200000113.6Y211 M332 M334 V356 G357 K361 C362 F363Y211-A359 HydrophobicContact CD2-CB 4.46Å; Y211-A359 HydrophobicContact CE2-CB 3.51Å; Y211-A359 WeakPolarHBondContact OH-CB 3.42Å; M332-A359 HydrophobicContact SD-CB 4.22Å; M334-A359 HydrophobicContact CG-CB 3.82Å; M334-A359 HydrophobicContact SD-CB 4.02Å; V356-A359 PolarHBondContact O-N 2.96Å; G357-A359 PolarHBondContact O-N 3.46Å; A359-K361 PolarHBondContact O-N 2.56Å; A359-C362 VanDerWaalsContact O-CB 3.32Å; A359-C362 WeakPolarHBondContact O-CB 3.37Å; A359-C362 PolarHBondContact O-N 3.34Å; A359-F363 HydrophobicContact CB-CE2 3.98Å; A359-F363 WeakPolarHBondContact O-CD2 3.46Å
360I96.7Very high95.1Very high1 Ų118.3 Ų18.31%0.00510%0.1CC..G310 helixtrans-49.4-32.7-178.3-171.6163.1000113.5F262 M264 L279 L288 G357 A358 C362 F363 A366F262-I360 HydrophobicContact CD1-CB 3.91Å; F262-I360 HydrophobicContact CD1-CD1 3.71Å; F262-I360 HydrophobicContact CD1-CG1 3.56Å; F262-I360 HydrophobicContact CE1-CB 3.79Å; F262-I360 HydrophobicContact CE1-CD1 3.9Å; F262-I360 HydrophobicContact CE1-CG1 3.89Å; F262-I360 HydrophobicContact CG-CB 4.46Å; F262-I360 HydrophobicContact CG-CG1 4.2Å; F262-I360 HydrophobicContact CZ-CB 4.23Å; M264-I360 HydrophobicContact CB-CD1 4.03Å; M264-I360 HydrophobicContact CE-CB 4.49Å; M264-I360 HydrophobicContact CE-CD1 4.24Å; L279-I360 HydrophobicContact CD2-CD1 3.94Å; L288-I360 HydrophobicContact CB-CG2 4.42Å; G357-I360 WeakPolarHBondContact O-CB 3.49Å; G357-I360 WeakPolarHBondContact O-CG2 3.47Å; G357-I360 PolarHBondContact O-N 3.42Å; A358-I360 PolarHBondContact O-N 2.72Å; A358-I360 VanDerWaalsContact O-N 3.16Å; I360-C362 PolarHBondContact O-N 3.2Å; I360-F363 PolarHBondContact O-N 3.32Å; I360-A366 HydrophobicContact CD1-CB 4.24Å; I360-A366 HydrophobicContact CG1-CB 3.64Å
361K94.9Very high95.3Very high30 Ų3017.8 Ų17.813%0.1310%0.097CC..G310 helixtrans-68.4-19.7178.767.3-179.8-1791730114.3K285 L286 R287 D333 E335 A359K285-K361 WeakPolarHBondContact CD-O 3.47Å; K285-K361 PolarHBondContact NZ-O 3.03Å; L286-K361 WeakPolarHBondContact O-CA 3.45Å; L286-K361 WeakPolarHBondContact O-CB 2.98Å; R287-K361 HydrophobicContact CG-CD 4.25Å; D333-K361 WeakPolarHBondContact O-CE 3.46Å; D333-K361 VanDerWaalsContact OD2-CE 3.25Å; D333-K361 WeakPolarHBondContact OD2-CE 3.39Å; D333-K361 IonicContact OD2-NZ 3.8Å; D333-K361 PolarHBondContact OD2-NZ 3.3Å; E335-K361 WeakPolarHBondContact OE1-CE 3.07Å; E335-K361 IonicContact OE1-NZ 3.67Å; E335-K361 PolarHBondContact OE1-NZ 2.9Å; A359-K361 PolarHBondContact O-N 2.56Å
362C95.8Very high95.3Very high18 Ų1820.3 Ų20.312%0.12211%0.114CC..G310 helixtrans-85.7-16.6-179.9-63.90000112.9L326 A331 D333 A359 I360L326-C362 HydrophobicContact CD1-CB 4.17Å; A331-C362 PolarHBondContact O-SG 2.99Å; A331-C362 VanDerWaalsContact O-SG 3.36Å; D333-C362 PolarHBondContact N-SG 3Å; D333-C362 PolarHBondContact O-SG 3.18Å; D333-C362 VanDerWaalsContact O-SG 3.42Å; A359-C362 VanDerWaalsContact O-CB 3.32Å; A359-C362 WeakPolarHBondContact O-CB 3.37Å; A359-C362 PolarHBondContact O-N 3.34Å; I360-C362 PolarHBondContact O-N 3.2Å
363F96.1Very high95.2Very high6 Ų624.7 Ų24.73%0.02613%0.13CC..SBendtrans-93148.1-176-71.1-92.4000112.2Y211 E261 F262 I318 A322 I323 L326 M332 A359 I360Y211-F363 HydrophobicContact CE1-CE2 4.41Å; Y211-F363 HydrophobicContact CE1-CZ 4.09Å; E261-F363 HydrophobicContact CB-CB 4.16Å; E261-F363 HydrophobicContact CB-CD1 3.87Å; E261-F363 HydrophobicContact CB-CG 4.5Å; F262-F363 HydrophobicContact CB-CB 3.58Å; F262-F363 HydrophobicContact CB-CD1 4.17Å; F262-F363 HydrophobicContact CB-CD2 4.02Å; F262-F363 HydrophobicContact CB-CG 3.67Å; F262-F363 HydrophobicContact CD2-CD1 4.31Å; F262-F363 AromaticContact CD2-CD2 3.36Å; F262-F363 HydrophobicContact CD2-CD2 3.36Å; F262-F363 HydrophobicContact CD2-CE1 4.33Å; F262-F363 AromaticContact CD2-CE2 3.42Å; F262-F363 HydrophobicContact CD2-CE2 3.42Å; F262-F363 VanDerWaalsContact CD2-CE2 3.42Å; F262-F363 AromaticContact CD2-CG 3.83Å; F262-F363 HydrophobicContact CD2-CG 3.83Å; F262-F363 AromaticContact CD2-CZ 3.91Å; F262-F363 HydrophobicContact CD2-CZ 3.91Å; F262-F363 HydrophobicContact CE2-CD2 4.11Å; F262-F363 AromaticContact CE2-CE2 3.85Å; F262-F363 HydrophobicContact CE2-CE2 3.85Å; F262-F363 HydrophobicContact CE2-CZ 4.44Å; F262-F363 HydrophobicContact CG-CB 4.42Å; F262-F363 HydrophobicContact CG-CD2 4.01Å; F262-F363 HydrophobicContact CG-CE2 4.47Å; F262-F363 HydrophobicContact CG-CG 4.17Å; I318-F363 HydrophobicContact CG2-CD1 4.42Å; I318-F363 HydrophobicContact CG2-CE1 3.58Å; I318-F363 HydrophobicContact CG2-CZ 3.63Å; A322-F363 HydrophobicContact CB-CD1 3.79Å; A322-F363 HydrophobicContact CB-CE1 3.8Å; I323-F363 HydrophobicContact CG1-CE1 4.26Å; I323-F363 HydrophobicContact CG1-CZ 4.2Å; L326-F363 HydrophobicContact CD1-CD1 3.66Å; L326-F363 HydrophobicContact CD1-CD2 4.08Å; L326-F363 HydrophobicContact CD1-CE1 3.63Å; L326-F363 HydrophobicContact CD1-CE2 4.02Å; L326-F363 HydrophobicContact CD1-CG 3.91Å; L326-F363 HydrophobicContact CD1-CZ 3.82Å; M332-F363 HydrophobicContact CE-CE1 4.49Å; M332-F363 HydrophobicContact CE-CE2 3.99Å; M332-F363 HydrophobicContact CE-CZ 3.58Å; M332-F363 HydrophobicContact SD-CE2 4.18Å; M332-F363 HydrophobicContact SD-CZ 4.35Å; A359-F363 HydrophobicContact CB-CE2 3.98Å; A359-F363 WeakPolarHBondContact O-CD2 3.46Å; I360-F363 PolarHBondContact O-N 3.32Å
364D93.6Very high95.1Very high78 Ų7827 Ų2742%0.41715%0.151SC..THydrogen-bonded Turntrans-84.3145176.8-65.2-40.3000111.1E261 R325 A366E261-D364 WeakPolarHBondContact CB-O 3.48Å; E261-D364 HydrophobicContact CG-CB 4.49Å; E261-D364 WeakPolarHBondContact CG-O 3.49Å; E261-D364 PolarHBondContact N-O 2.94Å; E261-D364 PolarHBondContact OE2-N 3.27Å; R325-D364 IonicContact NH2-OD2 2.8Å; D364-A366 PolarHBondContact O-N 3.16Å; D364-A366 VanDerWaalsContact O-N 3.14Å
365N92.4Very high95.2Very high84 Ų8426.9 Ų26.945%0.44915%0.149SC..THydrogen-bonded Turntrans51.534.4-178.3-52.4-50.5000113.6R259 C260R259-N365 WeakPolarHBondContact O-CB 3.32Å; R259-N365 PolarHBondContact O-ND2 2.96Å; C260-N365 PolarHBondContact SG-O 3.49Å
366A94.4Very high95.3Very high21 Ų2128.2 Ų28.217%0.17415%0.154CC..  trans-60.4143.917600000111.4F262 L286 I360 D364F262-A366 HydrophobicContact CB-CB 4.23Å; F262-A366 CarbonylContact O-C 3.48Å; F262-A366 VanDerWaalsContact O-CA 3.23Å; F262-A366 WeakPolarHBondContact O-CA 3.41Å; L286-A366 WeakPolarHBondContact CD1-O 3.05Å; I360-A366 HydrophobicContact CD1-CB 4.24Å; I360-A366 HydrophobicContact CG1-CB 3.64Å; D364-A366 PolarHBondContact O-N 3.16Å; D364-A366 VanDerWaalsContact O-N 3.14Å
367M94.8Very high95.2Very high26 Ų2629.5 Ų29.513%0.12816%0.161CC..EExtended strand (participates in β ladder)trans-142160.6176.864.4169.642.800112.9S69 F262 V263 M264S69-M367 WeakPolarHBondContact O-CA 3.41Å; F262-M367 PolarHBondContact O-N 3.03Å; V263-M367 VanDerWaalsContact CA-O 3.32Å; V263-M367 WeakPolarHBondContact CA-O 3.33Å; V263-M367 HydrophobicContact CB-CG 4.36Å; V263-M367 HydrophobicContact CG1-CG 4.26Å; V263-M367 HydrophobicContact CG2-CG 3.53Å; V263-M367 HydrophobicContact CG2-SD 4.09Å; M264-M367 PolarHBondContact N-O 3.45Å
368G96.4Very high95.1Very high0 Ų030.9 Ų30.90%017%0.17CC..EExtended strand (participates in β ladder)trans-101.4153.7165.500000111.7S69 I70 Q71 M264S69-G368 PolarHBondContact O-N 2.7Å; I70-G368 VanDerWaalsContact CA-O 3.28Å; I70-G368 WeakPolarHBondContact CA-O 3.31Å; Q71-G368 PolarHBondContact N-O 3.31Å; M264-G368 VanDerWaalsContact O-CA 3.29Å; M264-G368 WeakPolarHBondContact O-CA 3.47Å
369I96.8Very high95.1Very high1 Ų130.8 Ų30.81%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-125.9122.3166.8-60.8173.3000107.9Q71 Y73 I76 I247 V263 M264 E265 V266 V371Q71-I369 CarbonylContact O-C 3.6Å; Q71-I369 VanDerWaalsContact O-CA 3.31Å; Q71-I369 WeakPolarHBondContact O-CA 3.38Å; Y73-I369 HydrophobicContact CD2-CG2 4.48Å; I76-I369 HydrophobicContact CD1-CB 4.26Å; I76-I369 HydrophobicContact CD1-CD1 3.41Å; I76-I369 VanDerWaalsContact CD1-CD1 3.41Å; I76-I369 HydrophobicContact CD1-CG1 3.62Å; I76-I369 HydrophobicContact CD1-CG2 3.63Å; I247-I369 HydrophobicContact CB-CD1 4.48Å; I247-I369 HydrophobicContact CD1-CD1 4.47Å; I247-I369 HydrophobicContact CG1-CD1 4.15Å; I247-I369 HydrophobicContact CG2-CD1 3.77Å; V263-I369 HydrophobicContact CG1-CB 4.49Å; V263-I369 HydrophobicContact CG1-CD1 3.54Å; V263-I369 HydrophobicContact CG1-CG1 3.72Å; M264-I369 PolarHBondContact O-N 3.25Å; E265-I369 WeakPolarHBondContact CA-O 3.29Å; V266-I369 WeakPolarHBondContact CG2-O 3.47Å; V266-I369 PolarHBondContact N-O 3.1Å; V266-I369 VanDerWaalsContact O-O 3.11Å; I369-V371 HydrophobicContact CB-CG1 4.43Å; I369-V371 HydrophobicContact CG2-CG1 3.83Å; I369-V371 PolarHBondContact O-N 3.27Å
370N97.4Very high94.8Very high41 Ų4135.1 Ų35.122%0.21919%0.188CC..EExtended strand (participates in β ladder)trans-79.699.4174.2-165.412.1000109.5I70 Q71 Y73 V266 T267 D268I70-N370 HydrophobicContact CG2-CB 4.37Å; Q71-N370 PolarHBondContact O-N 2.87Å; Y73-N370 WeakPolarHBondContact CB-O 3.33Å; Y73-N370 PolarHBondContact N-O 3.27Å; V266-N370 HydrophobicContact CG2-CB 4.28Å; V266-N370 CarbonylContact O-C 3.58Å; V266-N370 VanDerWaalsContact O-CA 3.29Å; V266-N370 WeakPolarHBondContact O-CA 3.47Å; V266-N370 PolarHBondContact O-OD1 3.13Å; T267-N370 WeakPolarHBondContact CA-OD1 3.43Å; D268-N370 PolarHBondContact OD1-ND2 2.94Å
371V97.4Very high94.7Very high4 Ų438.1 Ų38.12%0.02421%0.206CC..  trans-92.9153.3-177.6-63.20000111.6Y73 I247 E265 V266 T267 T313 I369 R375Y73-V371 HydrophobicContact CD2-CG1 4.12Å; I247-V371 HydrophobicContact CD1-CG1 4.01Å; E265-V371 HydrophobicContact CB-CG1 4.02Å; E265-V371 HydrophobicContact CB-CG2 3.91Å; E265-V371 HydrophobicContact CG-CG1 3.87Å; V266-V371 WeakPolarHBondContact O-CG2 3.49Å; V266-V371 PolarHBondContact O-N 2.74Å; T267-V371 PolarHBondContact OG1-O 3.32Å; T313-V371 HydrophobicContact CG2-CG2 4.29Å; I369-V371 HydrophobicContact CB-CG1 4.43Å; I369-V371 HydrophobicContact CG2-CG1 3.83Å; I369-V371 PolarHBondContact O-N 3.27Å; V371-R375 HydrophobicContact CB-CB 4.49Å; V371-R375 HydrophobicContact CG2-CB 4.14Å
372P95.1Very high94.7Very high55 Ų5537 Ų3736%0.35720%0.202SC..  trans-63.4152171.227.6-35.9000111.4Y73 S374 R375Y73-P372 HydrophobicContact CD1-CG 4.44Å; P372-S374 WeakPolarHBondContact CG-OG 3.15Å; P372-S374 PolarHBondContact O-N 3.17Å; P372-R375 PolarHBondContact O-N 3.23Å
373R91.9Very high94.7Very high92 Ų9236.8 Ų36.835%0.34720%0.2SC..G310 helixtrans-60.8-17.2179.7-159.7175.2-159.9-154.78.3113.8T270 D273 R375 F376T270-R373 PolarHBondContact OG1-NH2 3.47Å; D273-R373 IonicContact OD1-NH2 2.74Å; D273-R373 IonicContact OD2-NH2 2.67Å; D273-R373 PolarHBondContact OD2-NH2 2.9Å; R373-R375 PolarHBondContact O-N 3.32Å; R373-R375 VanDerWaalsContact O-N 3.09Å; R373-F376 CarbonylContact O-C 3.54Å; R373-F376 WeakPolarHBondContact O-CA 3.39Å; R373-F376 PolarHBondContact O-N 3.1Å
374S93.1Very high94.7Very high89 Ų8938.6 Ų38.662%0.62221%0.21SC*.G310 helixtrans-54.9-25171.454.90000113G240 P372G240-S374 WeakPolarHBondContact CA-O 3.46Å; P372-S374 WeakPolarHBondContact CG-OG 3.15Å; P372-S374 PolarHBondContact O-N 3.17Å
375R96Very high94.7Very high10 Ų1034.9 Ų34.94%0.03819%0.191CC..G310 helixtrans-87.3-4.4175.3-62.2-169.25672.80.4114.7N238 G240 T242 D244 E265 N315 V371 P372 R373N238-R375 PolarHBondContact ND2-O 3.35Å; N238-R375 VanDerWaalsContact ND2-O 3.11Å; G240-R375 CarbonylContact C-O 3.57Å; G240-R375 VanDerWaalsContact O-CA 3.32Å; G240-R375 WeakPolarHBondContact O-CA 3.19Å; T242-R375 VanDerWaalsContact O-CZ 3.29Å; T242-R375 PolarHBondContact O-NH1 3.19Å; T242-R375 PolarHBondContact O-NH2 3.48Å; T242-R375 PolarHBondContact OG1-NH1 2.8Å; D244-R375 IonicContact OD2-NH1 2.67Å; E265-R375 IonicContact OE1-CZ 2.98Å; E265-R375 IonicContact OE1-NE 2.73Å; E265-R375 PolarHBondContact OE1-NE 3.49Å; E265-R375 IonicContact OE1-NH2 3.98Å; E265-R375 PolarHBondContact OE1-NH2 3Å; E265-R375 IonicContact OE2-CZ 3.62Å; E265-R375 IonicContact OE2-NE 2.64Å; E265-R375 PolarHBondContact OE2-NE 3.35Å; E265-R375 IonicContact OE2-NH2 2.69Å; E265-R375 PolarHBondContact OE2-NH2 2.88Å; N315-R375 PolarHBondContact ND2-O 3.35Å; V371-R375 HydrophobicContact CB-CB 4.49Å; V371-R375 HydrophobicContact CG2-CB 4.14Å; P372-R375 PolarHBondContact O-N 3.23Å; R373-R375 PolarHBondContact O-N 3.32Å; R373-R375 VanDerWaalsContact O-N 3.09Å
376F95.4Very high94.9Very high33 Ų3330.9 Ų30.915%0.14517%0.169CC..  trans-124.981.7179.6-170.7-106.8000110.7T267 F311 T313 R373 P378T267-F376 HydrophobicContact CG2-CB 4.26Å; T267-F376 HydrophobicContact CG2-CD1 4.41Å; T267-F376 HydrophobicContact CG2-CG 4.38Å; F311-F376 HydrophobicContact CE2-CD1 4.09Å; F311-F376 AromaticContact CE2-CE1 3.5Å; F311-F376 HydrophobicContact CE2-CE1 3.5Å; F311-F376 VanDerWaalsContact CE2-CE1 3.5Å; F311-F376 HydrophobicContact CE2-CE2 4.19Å; F311-F376 AromaticContact CE2-CZ 3.54Å; F311-F376 HydrophobicContact CE2-CZ 3.54Å; F311-F376 AromaticContact CZ-CD1 3.64Å; F311-F376 HydrophobicContact CZ-CD1 3.64Å; F311-F376 AromaticContact CZ-CE1 3.38Å; F311-F376 HydrophobicContact CZ-CE1 3.38Å; F311-F376 HydrophobicContact CZ-CG 4.4Å; F311-F376 AromaticContact CZ-CZ 3.94Å; F311-F376 HydrophobicContact CZ-CZ 3.94Å; T313-F376 HydrophobicContact CG2-CB 4.15Å; T313-F376 HydrophobicContact CG2-CD2 4.01Å; T313-F376 HydrophobicContact CG2-CG 4.23Å; T313-F376 WeakPolarHBondContact O-CE2 3.44Å; R373-F376 CarbonylContact O-C 3.54Å; R373-F376 WeakPolarHBondContact O-CA 3.39Å; R373-F376 PolarHBondContact O-N 3.1Å; F376-P378 HydrophobicContact CD1-CG 4.27Å; F376-P378 HydrophobicContact CE1-CG 3.74Å; F376-P378 HydrophobicContact CE2-CG 4.14Å; F376-P378 HydrophobicContact CZ-CG 3.69Å; F376-P378 WeakPolarHBondContact O-CD 3.43Å
377L93.9Very high95Very high27 Ų2730.7 Ų30.714%0.14117%0.165CC..  trans-121.967.4177.4-171.361.8000110.1N238 L239 V388 Y393N238-L377 VanDerWaalsContact OD1-C 3.31Å; N238-L377 PolarHBondContact OD1-N 2.89Å; N238-L377 PolarHBondContact OD1-O 3.39Å; L239-L377 HydrophobicContact CB-CD2 4.31Å; L239-L377 PolarHBondContact N-O 3.45Å; L377-V388 HydrophobicContact CD1-CG1 4.35Å; L377-V388 HydrophobicContact CD2-CG1 4Å; L377-V388 HydrophobicContact CG-CG1 4.17Å; L377-Y393 WeakPolarHBondContact CD1-OH 3.47Å; L377-Y393 HydrophobicContact CD2-CD1 4.3Å; L377-Y393 HydrophobicContact CD2-CE1 3.71Å
378P94.1Very high95Very high30 Ų3029.5 Ų29.520%0.19516%0.16CC..BIsolated β-bridgetrans-73.213317732.1-35.7000111D237 F376 K380D237-P378 CarbonylContact O-C 3.57Å; D237-P378 WeakPolarHBondContact O-CA 3.47Å; F376-P378 HydrophobicContact CD1-CG 4.27Å; F376-P378 HydrophobicContact CE1-CG 3.74Å; F376-P378 HydrophobicContact CE2-CG 4.14Å; F376-P378 HydrophobicContact CZ-CG 3.69Å; F376-P378 WeakPolarHBondContact O-CD 3.43Å; P378-K380 HydrophobicContact CB-CG 4.41Å
379V94Very high94.9Very high0 Ų031.2 Ų31.20%017%0.168CC..  trans-102.1100.8173.3-179.60000108.7K111 F122 D237 L239 D384 L385 V388K111-V379 VanDerWaalsContact CE-O 3.22Å; K111-V379 WeakPolarHBondContact CE-O 3.43Å; K111-V379 PolarHBondContact NZ-O 3.1Å; F122-V379 HydrophobicContact CE1-CB 3.82Å; F122-V379 HydrophobicContact CE1-CG1 4.4Å; F122-V379 HydrophobicContact CE1-CG2 3.98Å; F122-V379 HydrophobicContact CZ-CB 3.67Å; F122-V379 HydrophobicContact CZ-CG1 3.8Å; F122-V379 HydrophobicContact CZ-CG2 4.22Å; D237-V379 PolarHBondContact O-N 2.86Å; L239-V379 HydrophobicContact CD1-CG2 3.7Å; L239-V379 HydrophobicContact CG-CG2 4.31Å; V379-D384 HydrophobicContact CB-CB 4.23Å; V379-D384 HydrophobicContact CG1-CB 3.93Å; V379-D384 HydrophobicContact CG2-CB 4.43Å; V379-L385 HydrophobicContact CG1-CD2 3.68Å; V379-L385 HydrophobicContact CG1-CG 3.8Å; V379-V388 HydrophobicContact CG2-CG1 4.04Å; V379-V388 HydrophobicContact CG2-CG2 4.2Å
380K91.7Very high94.9Very high91 Ų9131.2 Ų31.240%0.39617%0.168SC..  trans-105.8-27.4-177.6-60.7-55.8-173.7-174.70112.9D237 P378 D384D237-K380 IonicContact OD1-NZ 3.93Å; D237-K380 PolarHBondContact OD1-NZ 2.94Å; D237-K380 WeakPolarHBondContact OD2-CD 3.26Å; D237-K380 IonicContact OD2-NZ 2.86Å; D237-K380 PolarHBondContact OD2-NZ 3.46Å; P378-K380 HydrophobicContact CB-CG 4.41Å; K380-D384 PolarHBondContact N-OD2 2.96Å
381T94.1Very high94.8Very high64 Ų6432.6 Ų32.639%0.39318%0.175SC..SBendtrans-131.1169.2-174.668.30000111.1S383 D384 L385T381-S383 PolarHBondContact O-N 3.4Å; T381-S383 WeakPolarHBondContact OG1-CB 3.37Å; T381-S383 PolarHBondContact OG1-N 2.98Å; T381-D384 PolarHBondContact N-OD2 3.27Å; T381-D384 WeakPolarHBondContact O-CB 3.37Å; T381-D384 PolarHBondContact O-N 3.39Å; T381-D384 PolarHBondContact OG1-N 2.85Å; T381-D384 PolarHBondContact OG1-OD2 2.99Å; T381-L385 PolarHBondContact O-N 2.9Å; T381-L385 VanDerWaalsContact O-N 3.14Å
382T95.3Very high94.7Very high7 Ų732.4 Ų32.44%0.04317%0.174CC..Hα-helixtrans-67.6-20.917150.10000113.1M105 D384 L385 L386 F420 V423 Y426M105-T382 HydrophobicContact CE-CG2 4.49Å; T382-D384 VanDerWaalsContact C-N 3.32Å; T382-L385 HydrophobicContact CG2-CD1 4.44Å; T382-L385 PolarHBondContact O-N 2.76Å; T382-L386 PolarHBondContact O-N 3.42Å; T382-F420 VanDerWaalsContact CB-O 3.24Å; T382-F420 WeakPolarHBondContact CB-O 3.24Å; T382-F420 WeakPolarHBondContact CG2-O 3.39Å; T382-F420 PolarHBondContact OG1-O 3.27Å; T382-V423 HydrophobicContact CG2-CG2 4.46Å; T382-Y426 HydrophobicContact CG2-CD1 4.5Å; T382-Y426 HydrophobicContact CG2-CG 4.09Å
383S95.8Very high94.7Very high13 Ų1330.4 Ų30.49%0.09116%0.16CC..Hα-helixtrans-64.9-39.9170.5-58.50000110.9T381 L386 L387 V414 L416T381-S383 PolarHBondContact O-N 3.4Å; T381-S383 WeakPolarHBondContact OG1-CB 3.37Å; T381-S383 PolarHBondContact OG1-N 2.98Å; S383-L386 PolarHBondContact O-N 3.14Å; S383-L387 PolarHBondContact O-N 3.26Å; S383-V414 WeakPolarHBondContact CB-O 3.39Å; S383-L416 PolarHBondContact OG-N 3.32Å
384D94.6Very high94.8Very high44 Ų4427.9 Ų27.924%0.23516%0.156CC..Hα-helixtrans-70-36.8174.9-49.2-49.9000111.2V379 K380 T381 T382 L386 L387 V388V379-D384 HydrophobicContact CB-CB 4.23Å; V379-D384 HydrophobicContact CG1-CB 3.93Å; V379-D384 HydrophobicContact CG2-CB 4.43Å; K380-D384 PolarHBondContact N-OD2 2.96Å; T381-D384 PolarHBondContact N-OD2 3.27Å; T381-D384 WeakPolarHBondContact O-CB 3.37Å; T381-D384 PolarHBondContact O-N 3.39Å; T381-D384 PolarHBondContact OG1-N 2.85Å; T381-D384 PolarHBondContact OG1-OD2 2.99Å; T382-D384 VanDerWaalsContact C-N 3.32Å; D384-L386 VanDerWaalsContact C-N 3.35Å; D384-L386 PolarHBondContact O-N 3.16Å; D384-L387 WeakPolarHBondContact O-CB 3.27Å; D384-L387 PolarHBondContact O-N 3.01Å; D384-V388 PolarHBondContact O-N 3.3Å; D384-V388 VanDerWaalsContact O-N 3.17Å
385L94.9Very high94.9Very high0 Ų025.5 Ų25.50%014%0.137CC..Hα-helixtrans-59.2-45.2173.5-81.5-178.1000111.9M105 I114 V116 V379 T381 T382 L387 V388 M389 V423 Y426M105-L385 HydrophobicContact CE-CD1 3.23Å; M105-L385 HydrophobicContact CE-CG 3.81Å; I114-L385 HydrophobicContact CG2-CD1 4.49Å; V116-L385 HydrophobicContact CG1-CD2 4.38Å; V379-L385 HydrophobicContact CG1-CD2 3.68Å; V379-L385 HydrophobicContact CG1-CG 3.8Å; T381-L385 PolarHBondContact O-N 2.9Å; T381-L385 VanDerWaalsContact O-N 3.14Å; T382-L385 HydrophobicContact CG2-CD1 4.44Å; T382-L385 PolarHBondContact O-N 2.76Å; L385-L387 VanDerWaalsContact C-N 3.27Å; L385-L387 PolarHBondContact O-N 2.97Å; L385-V388 HydrophobicContact CD2-CG2 4.42Å; L385-V388 VanDerWaalsContact O-CG2 3.32Å; L385-V388 WeakPolarHBondContact O-CG2 3.29Å; L385-V388 PolarHBondContact O-N 2.67Å; L385-M389 VanDerWaalsContact O-CB 3.24Å; L385-M389 WeakPolarHBondContact O-CB 3.5Å; L385-M389 VanDerWaalsContact O-CG 3.26Å; L385-M389 WeakPolarHBondContact O-CG 3.46Å; L385-M389 PolarHBondContact O-N 2.98Å; L385-V423 HydrophobicContact CD1-CG2 4.25Å; L385-Y426 HydrophobicContact CB-CE1 4.45Å
386L96.9Very high94.8Very high0 Ų031.3 Ų31.30%016%0.164CC..Hα-helixtrans-57.6-43.3179.1-176.462.1000111.3T382 S383 D384 S390 V414 L416 Y426 F430 I433 P434 M436 L442T382-L386 PolarHBondContact O-N 3.42Å; S383-L386 PolarHBondContact O-N 3.14Å; D384-L386 VanDerWaalsContact C-N 3.35Å; D384-L386 PolarHBondContact O-N 3.16Å; L386-S390 WeakPolarHBondContact O-CB 3.49Å; L386-S390 PolarHBondContact O-N 2.93Å; L386-S390 VanDerWaalsContact O-N 3.1Å; L386-V414 HydrophobicContact CD2-CG1 4.04Å; L386-L416 HydrophobicContact CB-CD1 4.42Å; L386-L416 HydrophobicContact CD2-CD1 4.18Å; L386-L416 HydrophobicContact CD2-CD2 4.12Å; L386-Y426 WeakPolarHBondContact CA-OH 3.32Å; L386-Y426 HydrophobicContact CB-CE2 4.09Å; L386-Y426 HydrophobicContact CD1-CE2 4.25Å; L386-F430 HydrophobicContact CD1-CE1 4.22Å; L386-F430 HydrophobicContact CD1-CE2 4.37Å; L386-F430 HydrophobicContact CD1-CZ 4.12Å; L386-F430 HydrophobicContact CD2-CE1 4.42Å; L386-F430 HydrophobicContact CD2-CE2 4.43Å; L386-F430 HydrophobicContact CD2-CZ 3.86Å; L386-I433 HydrophobicContact CD1-CD1 4.24Å; L386-I433 HydrophobicContact CD1-CG2 4.1Å; L386-P434 HydrophobicContact CD1-CG 4.35Å; L386-M436 HydrophobicContact CD1-SD 4.1Å; L386-M436 HydrophobicContact CD2-CE 3.94Å; L386-M436 HydrophobicContact CD2-SD 4.08Å; L386-M436 HydrophobicContact CG-CE 3.98Å; L386-M436 HydrophobicContact CG-SD 3.7Å; L386-L442 HydrophobicContact CD2-CD2 3.92Å
387L95.4Very high94.7Very high18 Ų1831.8 Ų31.89%0.09417%0.174CC..Hα-helixtrans-58.1-52.8176.1-71.4171.7000111.8S383 D384 L385 M389 S390 L392 Y393 P412 V414 M436S383-L387 PolarHBondContact O-N 3.26Å; D384-L387 WeakPolarHBondContact O-CB 3.27Å; D384-L387 PolarHBondContact O-N 3.01Å; L385-L387 VanDerWaalsContact C-N 3.27Å; L385-L387 PolarHBondContact O-N 2.97Å; L387-M389 VanDerWaalsContact C-N 3.34Å; L387-M389 PolarHBondContact O-N 3.41Å; L387-S390 PolarHBondContact O-N 3.37Å; L387-S390 PolarHBondContact O-OG 3.25Å; L387-L392 HydrophobicContact CD2-CD2 4.05Å; L387-Y393 WeakPolarHBondContact O-CD2 3.47Å; L387-P412 HydrophobicContact CD2-CG 3.69Å; L387-V414 HydrophobicContact CD1-CG2 4.46Å; L387-V414 HydrophobicContact CD2-CB 4.36Å; L387-V414 HydrophobicContact CD2-CG2 3.49Å; L387-V414 VanDerWaalsContact CD2-CG2 3.49Å; L387-V414 HydrophobicContact CG-CB 4.28Å; L387-V414 HydrophobicContact CG-CG2 3.91Å; L387-M436 HydrophobicContact CD2-CE 4.38Å
388V94.9Very high94.5Very high1 Ų130.6 Ų30.61%0.00617%0.168CC..Hα-helixtrans-74.9-23.4-174-57.40000113.8V116 R117 L239 L377 V379 D384 L385 L400V116-V388 HydrophobicContact CG1-CG2 3.67Å; R117-V388 PolarHBondContact NH1-O 3.47Å; L239-V388 HydrophobicContact CD1-CB 4.24Å; L239-V388 HydrophobicContact CD1-CG1 4.11Å; L239-V388 HydrophobicContact CD1-CG2 4.23Å; L377-V388 HydrophobicContact CD1-CG1 4.35Å; L377-V388 HydrophobicContact CD2-CG1 4Å; L377-V388 HydrophobicContact CG-CG1 4.17Å; V379-V388 HydrophobicContact CG2-CG1 4.04Å; V379-V388 HydrophobicContact CG2-CG2 4.2Å; D384-V388 PolarHBondContact O-N 3.3Å; D384-V388 VanDerWaalsContact O-N 3.17Å; L385-V388 HydrophobicContact CD2-CG2 4.42Å; L385-V388 VanDerWaalsContact O-CG2 3.32Å; L385-V388 WeakPolarHBondContact O-CG2 3.29Å; L385-V388 PolarHBondContact O-N 2.67Å; V388-L400 HydrophobicContact CB-CD1 3.88Å; V388-L400 HydrophobicContact CG1-CD1 4.26Å
389M95.1Very high94.5Very high35 Ų3530.8 Ų30.817%0.17217%0.17CC..Hα-helixtrans-76.9-28173.2-78.1-177.2158.900112.8V116 L385 L387 Y426 L427 I433V116-M389 WeakPolarHBondContact O-CE 3.43Å; V116-M389 WeakPolarHBondContact O-CG 3.48Å; L385-M389 VanDerWaalsContact O-CB 3.24Å; L385-M389 WeakPolarHBondContact O-CB 3.5Å; L385-M389 VanDerWaalsContact O-CG 3.26Å; L385-M389 WeakPolarHBondContact O-CG 3.46Å; L385-M389 PolarHBondContact O-N 2.98Å; L387-M389 VanDerWaalsContact C-N 3.34Å; L387-M389 PolarHBondContact O-N 3.41Å; M389-Y426 HydrophobicContact SD-CE1 3.88Å; M389-Y426 PolarHBondContact SD-OH 3.35Å; M389-L427 HydrophobicContact CE-CD2 4.46Å; M389-I433 HydrophobicContact CB-CD1 3.93Å; M389-I433 HydrophobicContact CB-CG1 3.98Å; M389-I433 HydrophobicContact CB-CG2 4.23Å; M389-I433 HydrophobicContact CG-CD1 4.5Å; M389-I433 HydrophobicContact SD-CD1 3.85Å
390S95.8Very high94.5Very high2 Ų231.7 Ų31.71%0.01418%0.175CC..SBendtrans-71.2169-175.874.80000113.5L386 L387 L392 Y393L386-S390 WeakPolarHBondContact O-CB 3.49Å; L386-S390 PolarHBondContact O-N 2.93Å; L386-S390 VanDerWaalsContact O-N 3.1Å; L387-S390 PolarHBondContact O-N 3.37Å; L387-S390 PolarHBondContact O-OG 3.25Å; S390-L392 PolarHBondContact O-N 3.19Å; S390-L392 VanDerWaalsContact O-N 3.1Å; S390-L392 WeakPolarHBondContact OG-CB 3.32Å; S390-L392 PolarHBondContact OG-N 3.17Å; S390-Y393 PolarHBondContact O-N 3.22Å
391N95.4Very high94.6Very high69 Ų6930.5 Ų30.537%0.36918%0.176SC..THydrogen-bonded Turntrans-66.5-0.9171.766.5-19.6000114.1Y393 D435 M436N391-Y393 PolarHBondContact O-N 2.79Å; N391-D435 PolarHBondContact ND2-OD1 2.62Å; N391-D435 PolarHBondContact OD1-OD1 3.4Å; N391-M436 PolarHBondContact OD1-N 2.86Å
392L95.3Very high94.6Very high0 Ų030.3 Ų30.30%017%0.171CC..THydrogen-bonded Turntrans-63.5-30.4170.4-174.866.5000112.1L387 S390 S403 R406 P412L387-L392 HydrophobicContact CD2-CD2 4.05Å; S390-L392 PolarHBondContact O-N 3.19Å; S390-L392 VanDerWaalsContact O-N 3.1Å; S390-L392 WeakPolarHBondContact OG-CB 3.32Å; S390-L392 PolarHBondContact OG-N 3.17Å; L392-S403 WeakPolarHBondContact O-CB 3.25Å; L392-S403 PolarHBondContact O-N 3.33Å; L392-R406 HydrophobicContact CD1-CB 4.47Å; L392-R406 HydrophobicContact CD1-CG 4.09Å; L392-P412 VanDerWaalsContact CD2-CD 3.41Å; L392-P412 HydrophobicContact CD2-CG 3.76Å
393Y95.5Very high94.6Very high13 Ų1330.6 Ų30.65%0.05117%0.173CC..EExtended strand (participates in β ladder)trans-114.7148.5175.7-67.2-88.9000110.5R117 L377 L387 S390 N391 L400 T401 M402 T411R117-Y393 VanDerWaalsContact NH1-C 3.25Å; R117-Y393 PolarHBondContact NH1-O 3.44Å; R117-Y393 PolarHBondContact NH2-O 3.09Å; L377-Y393 WeakPolarHBondContact CD1-OH 3.47Å; L377-Y393 HydrophobicContact CD2-CD1 4.3Å; L377-Y393 HydrophobicContact CD2-CE1 3.71Å; L387-Y393 WeakPolarHBondContact O-CD2 3.47Å; S390-Y393 PolarHBondContact O-N 3.22Å; N391-Y393 PolarHBondContact O-N 2.79Å; Y393-L400 HydrophobicContact CD1-CB 4.29Å; Y393-T401 CarbonylContact C-O 3.56Å; Y393-T401 VanDerWaalsContact CA-O 3.23Å; Y393-T401 WeakPolarHBondContact CA-O 3.31Å; Y393-M402 HydrophobicContact CD1-CB 4.44Å; Y393-M402 HydrophobicContact CE1-CB 4.28Å; Y393-T411 WeakPolarHBondContact OH-CG2 3.29Å
394S94.5Very high94.5Very high40 Ų4035.9 Ų35.928%0.2821%0.207SC..EExtended strand (participates in β ladder)trans-105146165.6-600000109.3L400 T401S394-L400 WeakPolarHBondContact O-CA 3.5Å; S394-T401 PolarHBondContact N-O 2.74Å; S394-T401 PolarHBondContact O-N 2.95Å
395L94.9Very high94.4Very high39 Ų3941.6 Ų41.620%0.20423%0.23CC..EExtended strand (participates in β ladder)trans-109.7117.6178.5175.664.7000109.3R117 L125 L400R117-L395 HydrophobicContact CB-CD2 4.46Å; R117-L395 HydrophobicContact CG-CD2 4.13Å; L125-L395 HydrophobicContact CD2-CD1 3.63Å; L125-L395 HydrophobicContact CD2-CD2 4.07Å; L395-L400 HydrophobicContact CB-CD2 3.93Å; L395-L400 HydrophobicContact CD1-CD2 3.9Å; L395-L400 HydrophobicContact CD1-CG 4.41Å; L395-L400 HydrophobicContact CG-CD2 4.5Å
396E93.9Very high94.3Very high131 Ų13142.6 Ų42.661%0.61223%0.234SC*.EExtended strand (participates in β ladder)trans-130.6120.1177.1-67.8-179-176.800109.1G398 S399E396-G398 PolarHBondContact O-N 3.31Å; E396-G398 VanDerWaalsContact O-N 3.09Å; E396-S399 PolarHBondContact N-O 3.33Å; E396-S399 WeakPolarHBondContact O-CB 3.24Å; E396-S399 PolarHBondContact O-N 3Å
397A92Very high94Very high44 Ų4450 Ų5036%0.36427%0.268SS..THydrogen-bonded Turntrans48.938.9178.300000114.7Q128 Q129 H132 S399Q128-A397 CarbonylContact C-O 3.55Å; Q129-A397 WeakPolarHBondContact CA-O 3.3Å; Q129-A397 PolarHBondContact N-O 3.18Å; H132-A397 HydrophobicContact CB-CB 3.8Å; A397-S399 VanDerWaalsContact C-N 3.28Å; A397-S399 PolarHBondContact O-N 3.32Å
398G90.8Very high93.6Very high1 Ų154.6 Ų54.61%0.0129%0.288CS..THydrogen-bonded Turntrans84.1-9.9-17800000114.9Q129 E396Q129-G398 PolarHBondContact NE2-O 2.9Å; E396-G398 PolarHBondContact O-N 3.31Å; E396-G398 VanDerWaalsContact O-N 3.09Å
399S94.1Very high93.1Very high34 Ų3460 Ų6024%0.23832%0.323CS..EExtended strand (participates in β ladder)trans-93.4134.8176.7-71.90000111.7Q129 E396 A397Q129-S399 WeakPolarHBondContact CG-OG 3.13Å; E396-S399 PolarHBondContact N-O 3.33Å; E396-S399 WeakPolarHBondContact O-CB 3.24Å; E396-S399 PolarHBondContact O-N 3Å; A397-S399 VanDerWaalsContact C-N 3.28Å; A397-S399 PolarHBondContact O-N 3.32Å
400L94.4Very high92.7Very high20 Ų2062.5 Ų62.511%0.10534%0.34CS..EExtended strand (participates in β ladder)trans-94.9126173-70178.2000110.4R117 L239 V388 Y393 S394 L395R117-L400 VanDerWaalsContact NH1-CD2 3.29Å; L239-L400 HydrophobicContact CB-CD1 4.15Å; L239-L400 HydrophobicContact CD1-CD1 3.52Å; L239-L400 HydrophobicContact CG-CD1 4.36Å; V388-L400 HydrophobicContact CB-CD1 3.88Å; V388-L400 HydrophobicContact CG1-CD1 4.26Å; Y393-L400 HydrophobicContact CD1-CB 4.29Å; S394-L400 WeakPolarHBondContact O-CA 3.5Å; L395-L400 HydrophobicContact CB-CD2 3.93Å; L395-L400 HydrophobicContact CD1-CD2 3.9Å; L395-L400 HydrophobicContact CD1-CG 4.41Å; L395-L400 HydrophobicContact CG-CD2 4.5Å
401T94Very high92.4Very high66 Ų6664.7 Ų64.741%0.40535%0.354SS..EExtended strand (participates in β ladder)trans-120.8140.8174.154.60000109.3Y393 S394 S403Y393-T401 CarbonylContact C-O 3.56Å; Y393-T401 VanDerWaalsContact CA-O 3.23Å; Y393-T401 WeakPolarHBondContact CA-O 3.31Å; S394-T401 PolarHBondContact N-O 2.74Å; S394-T401 PolarHBondContact O-N 2.95Å; T401-S403 PolarHBondContact O-N 3.07Å
402M93.9Very high92.2Very high59 Ų5961.7 Ų61.729%0.29134%0.338SS..EExtended strand (participates in β ladder)trans-64.1137.6175.1-173.9174.2-7200109.2Y393 R406 T411Y393-M402 HydrophobicContact CD1-CB 4.44Å; Y393-M402 HydrophobicContact CE1-CB 4.28Å; M402-R406 HydrophobicContact CG-CB 4.38Å; M402-R406 HydrophobicContact SD-CG 4.14Å; M402-T411 HydrophobicContact CE-CG2 3.66Å
403S94.6Very high92.1Very high13 Ų1366.8 Ų66.89%0.09136%0.361CS..  trans-58.8132.4-178178.50000110.8L392 T401 K405 R406L392-S403 WeakPolarHBondContact O-CB 3.25Å; L392-S403 PolarHBondContact O-N 3.33Å; T401-S403 PolarHBondContact O-N 3.07Å; S403-K405 PolarHBondContact O-N 2.92Å; S403-K405 VanDerWaalsContact O-N 3.16Å; S403-K405 PolarHBondContact OG-N 2.76Å; S403-R406 VanDerWaalsContact O-CB 3.27Å; S403-R406 WeakPolarHBondContact O-CB 3.24Å; S403-R406 PolarHBondContact O-N 3.23Å
404P92.9Very high92.2Very high124 Ų12467 Ų6781%0.80536%0.364SS*.THydrogen-bonded Turntrans-67.1-14.7175.829.2-35.8000112.5R406P404-R406 PolarHBondContact O-N 2.84Å
405K93.8Very high92.3Very high165 Ų16571.1 Ų71.172%0.71738%0.377SS*.THydrogen-bonded Turntrans-77-9174.5-58.1-177177.4-179.20112.9S403 E407 L437S403-K405 PolarHBondContact O-N 2.92Å; S403-K405 VanDerWaalsContact O-N 3.16Å; S403-K405 PolarHBondContact OG-N 2.76Å; K405-E407 PolarHBondContact O-N 2.86Å; K405-L437 HydrophobicContact CB-CD1 4.25Å; K405-L437 HydrophobicContact CB-CD2 3.67Å; K405-L437 HydrophobicContact CB-CG 4.48Å; K405-L437 HydrophobicContact CD-CD2 4.39Å
406R92.8Very high92.4Very high20 Ų2070.1 Ų70.18%0.07537%0.372CS..  trans-75.2120.7175.9177.665.8-176.6175.23.7108.6L392 M402 S403 P404 F408 L437 L439 D440L392-R406 HydrophobicContact CD1-CB 4.47Å; L392-R406 HydrophobicContact CD1-CG 4.09Å; M402-R406 HydrophobicContact CG-CB 4.38Å; M402-R406 HydrophobicContact SD-CG 4.14Å; S403-R406 VanDerWaalsContact O-CB 3.27Å; S403-R406 WeakPolarHBondContact O-CB 3.24Å; S403-R406 PolarHBondContact O-N 3.23Å; P404-R406 PolarHBondContact O-N 2.84Å; R406-F408 WeakPolarHBondContact CG-O 3.44Å; R406-F408 PolarHBondContact NE-O 3Å; R406-F408 VanDerWaalsContact NE-O 3.16Å; R406-F408 PolarHBondContact O-N 2.91Å; R406-L437 HydrophobicContact CB-CD1 4.13Å; R406-L437 WeakPolarHBondContact CD-O 3.33Å; R406-L437 PolarHBondContact NH1-O 3.48Å; R406-L439 PolarHBondContact NH1-O 3.16Å; R406-L439 PolarHBondContact NH2-O 3.43Å; R406-D440 IonicContact NH2-OD1 4Å; R406-D440 PolarHBondContact NH2-OD1 2.99Å; R406-D440 VanDerWaalsContact NH2-OD1 3.07Å
407E89.3Confident92.4Very high156 Ų15664.7 Ų64.773%0.72935%0.351SS*.SBendtrans-66.1-36.7-177.9-62-175.1167.400113K405K405-E407 PolarHBondContact O-N 2.86Å
408F88.4Confident92.6Very high115 Ų11567.2 Ų67.250%0.50437%0.365SS..SBendtrans-116.6128.4-177.8-57.2-76.7000111.6R406 T410R406-F408 WeakPolarHBondContact CG-O 3.44Å; R406-F408 PolarHBondContact NE-O 3Å; R406-F408 VanDerWaalsContact NE-O 3.16Å; R406-F408 PolarHBondContact O-N 2.91Å; F408-T410 PolarHBondContact O-N 3.09Å
409P83.8Confident92.8Very high115 Ų11568.3 Ų68.375%0.74737%0.373SS*.SBendtrans-68.5-3.4-176.929.9-36.5000113.7
410T85.9Confident92.9Very high87 Ų8766.7 Ų66.753%0.53436%0.362SS..SBendtrans-76.5131.8177.454.10000110.9F408F408-T410 PolarHBondContact O-N 3.09Å
411T89.6Confident92.9Very high48 Ų4868.9 Ų68.929%0.29438%0.376SS..PPolyproline II helixtrans-68132.2170.752.40000110.8Y393 M402Y393-T411 WeakPolarHBondContact OH-CG2 3.29Å; M402-T411 HydrophobicContact CE-CG2 3.66Å
412P92.8Very high92.9Very high6 Ų670.6 Ų70.64%0.03938%0.378CS..PPolyproline II helixtrans-65.3152.1176.422.1-25.4000112L387 L392 L439 D440L387-P412 HydrophobicContact CD2-CG 3.69Å; L392-P412 VanDerWaalsContact CD2-CD 3.41Å; L392-P412 HydrophobicContact CD2-CG 3.76Å; P412-L439 HydrophobicContact CB-CB 4.32Å; P412-L439 HydrophobicContact CB-CD2 4.13Å; P412-L439 HydrophobicContact CB-CG 4.11Å; P412-L439 WeakPolarHBondContact CB-O 3.39Å; P412-L439 HydrophobicContact CG-CD2 4.38Å; P412-D440 WeakPolarHBondContact CA-O 3.42Å; P412-D440 WeakPolarHBondContact CB-O 3.5Å
413H93.1Very high92.8Very high107 Ų10768.7 Ų68.750%0.49537%0.369SS..EExtended strand (participates in β ladder)trans-88.8110177.7179.7-78.1000110.4D440 H441 L442H413-D440 PolarHBondContact N-O 2.86Å; H413-H441 AromaticContact CE1-CE1 3.92Å; H413-H441 AromaticContact CG-ND1 3.85Å; H413-H441 AromaticContact ND1-CE1 3.29Å; H413-H441 PolarHBondContact ND1-CE1 2.81Å; H413-H441 VanDerWaalsContact ND1-CE1 3.29Å; H413-H441 AromaticContact ND1-ND1 3.43Å; H413-H441 PolarHBondContact ND1-ND1 2.83Å; H413-H441 CarbonylContact O-C 3.53Å; H413-H441 WeakPolarHBondContact O-CA 3.31Å; H413-L442 PolarHBondContact O-N 3.29Å
414V96.1Very high92.7Very high16 Ų1675.7 Ų75.710%0.09740%0.401CS..EExtended strand (participates in β ladder)trans-111130.1179.51760000110.2S383 L386 L387 L416 M436 L439 L442S383-V414 WeakPolarHBondContact CB-O 3.39Å; L386-V414 HydrophobicContact CD2-CG1 4.04Å; L387-V414 HydrophobicContact CD1-CG2 4.46Å; L387-V414 HydrophobicContact CD2-CB 4.36Å; L387-V414 HydrophobicContact CD2-CG2 3.49Å; L387-V414 VanDerWaalsContact CD2-CG2 3.49Å; L387-V414 HydrophobicContact CG-CB 4.28Å; L387-V414 HydrophobicContact CG-CG2 3.91Å; V414-L416 HydrophobicContact CG1-CD2 4.21Å; V414-L416 HydrophobicContact CG1-CG 4.17Å; V414-M436 HydrophobicContact CG2-CE 3.59Å; V414-L439 HydrophobicContact CG2-CD2 4.12Å; V414-L442 CarbonylContact C-O 3.22Å; V414-L442 WeakPolarHBondContact CA-O 3.29Å; V414-L442 HydrophobicContact CG1-CD2 4.14Å; V414-L442 HydrophobicContact CG2-CB 4.2Å
415K96.4Very high92.8Very high128 Ų12872.7 Ų72.756%0.55738%0.376SS*.EExtended strand (participates in β ladder)trans-134.2107.8174.3-173.5179.7-179.1-175.40110.3L442 T443 V444K415-L442 PolarHBondContact N-O 2.87Å; K415-T443 WeakPolarHBondContact O-CA 3.35Å; K415-V444 PolarHBondContact O-N 3.43Å
416L97.2Very high92.9Very high18 Ų1864.9 Ų64.99%0.09434%0.342CS..EExtended strand (participates in β ladder)trans-94.8140.1172.7-52.6179.4000110.5S383 L386 V414 F420 Y426 F430 L442 V444S383-L416 PolarHBondContact OG-N 3.32Å; L386-L416 HydrophobicContact CB-CD1 4.42Å; L386-L416 HydrophobicContact CD2-CD1 4.18Å; L386-L416 HydrophobicContact CD2-CD2 4.12Å; V414-L416 HydrophobicContact CG1-CD2 4.21Å; V414-L416 HydrophobicContact CG1-CG 4.17Å; L416-F420 HydrophobicContact CB-CB 3.69Å; L416-F420 HydrophobicContact CB-CD2 4.17Å; L416-F420 HydrophobicContact CB-CG 3.94Å; L416-F420 HydrophobicContact CD1-CB 4.1Å; L416-F420 HydrophobicContact CD1-CD1 4.22Å; L416-F420 HydrophobicContact CD1-CG 4.27Å; L416-Y426 HydrophobicContact CD1-CD2 4.04Å; L416-Y426 HydrophobicContact CD1-CE2 4.14Å; L416-F430 HydrophobicContact CD1-CE2 4.33Å; L416-L442 HydrophobicContact CD2-CD2 4.47Å; L416-V444 CarbonylContact C-O 3.49Å; L416-V444 HydrophobicContact CD2-CB 4.01Å; L416-V444 HydrophobicContact CD2-CG2 3.9Å
417G95.4Very high92.9Very high17 Ų1768.3 Ų68.318%0.17536%0.361CS..  trans-72.7-179.9-178.700000113.8S419 F420 V444G417-S419 PolarHBondContact O-N 2.85Å; G417-S419 VanDerWaalsContact O-N 3.15Å; G417-F420 PolarHBondContact O-N 2.86Å; G417-V444 WeakPolarHBondContact CA-O 3.39Å; G417-V444 PolarHBondContact N-O 2.87Å
418S94.8Very high93.2Very high96 Ų9666 Ų6667%0.67136%0.358SS*.G310 helixtrans-55.5-34.8-176.349.50000113.6F420 T421S418-F420 PolarHBondContact O-N 3.45Å; S418-T421 WeakPolarHBondContact CA-OG1 3.41Å; S418-T421 WeakPolarHBondContact O-CB 3.47Å; S418-T421 PolarHBondContact O-N 2.95Å; S418-T421 PolarHBondContact O-OG1 2.96Å
419S95.1Very high93.6Very high24 Ų2462.4 Ų62.417%0.16834%0.341CS..G310 helixtrans-60.4-12.4176.8-42.50000115G417 R429 G446G417-S419 PolarHBondContact O-N 2.85Å; G417-S419 VanDerWaalsContact O-N 3.15Å; S419-R429 WeakPolarHBondContact O-CD 3.29Å; S419-R429 PolarHBondContact O-NE 2.82Å; S419-G446 WeakPolarHBondContact CB-O 3.5Å; S419-G446 PolarHBondContact OG-O 3.47Å
420F96.4Very high94.2Very high0 Ų057.5 Ų57.50%031%0.308CS..G310 helixtrans-111.84.8179.3-63.7-95.9000112T382 L416 G417 S418 K422 Y426 R429 F430 V444 V448 F450T382-F420 VanDerWaalsContact CB-O 3.24Å; T382-F420 WeakPolarHBondContact CB-O 3.24Å; T382-F420 WeakPolarHBondContact CG2-O 3.39Å; T382-F420 PolarHBondContact OG1-O 3.27Å; L416-F420 HydrophobicContact CB-CB 3.69Å; L416-F420 HydrophobicContact CB-CD2 4.17Å; L416-F420 HydrophobicContact CB-CG 3.94Å; L416-F420 HydrophobicContact CD1-CB 4.1Å; L416-F420 HydrophobicContact CD1-CD1 4.22Å; L416-F420 HydrophobicContact CD1-CG 4.27Å; G417-F420 PolarHBondContact O-N 2.86Å; S418-F420 PolarHBondContact O-N 3.45Å; F420-K422 VanDerWaalsContact C-N 3.34Å; F420-K422 PolarHBondContact O-N 3.32Å; F420-Y426 HydrophobicContact CD1-CD2 4.3Å; F420-R429 HydrophobicContact CD1-CB 4.17Å; F420-R429 HydrophobicContact CE1-CB 3.56Å; F420-R429 HydrophobicContact CE1-CG 4.18Å; F420-R429 HydrophobicContact CZ-CB 4.23Å; F420-F430 HydrophobicContact CD1-CD2 4.42Å; F420-F430 AromaticContact CD1-CE2 3.77Å; F420-F430 HydrophobicContact CD1-CE2 3.77Å; F420-F430 HydrophobicContact CE1-CD2 4.15Å; F420-F430 AromaticContact CE1-CE2 3.51Å; F420-F430 HydrophobicContact CE1-CE2 3.51Å; F420-F430 HydrophobicContact CE1-CZ 4.11Å; F420-V444 HydrophobicContact CE2-CB 4.5Å; F420-V444 HydrophobicContact CE2-CG1 3.7Å; F420-V444 HydrophobicContact CZ-CG1 3.93Å; F420-V448 HydrophobicContact CE2-CB 4.37Å; F420-V448 HydrophobicContact CZ-CB 4.17Å; F420-V448 VanDerWaalsContact CZ-O 3.32Å; F420-V448 WeakPolarHBondContact CZ-O 3.35Å; F420-F450 HydrophobicContact CE1-CE2 4.35Å; F420-F450 HydrophobicContact CZ-CE2 4.11Å
421T94.2Very high94.7Very high67 Ų6759.2 Ų59.241%0.41131%0.31SS..SBendtrans-63.7-40.7-172.6-52.60000111.8M105 S418M105-T421 WeakPolarHBondContact CA-O 3.44Å; S418-T421 WeakPolarHBondContact CA-OG1 3.41Å; S418-T421 WeakPolarHBondContact O-CB 3.47Å; S418-T421 PolarHBondContact O-N 2.95Å; S418-T421 PolarHBondContact O-OG1 2.96Å
422K94Very high95Very high102 Ų10258.5 Ų58.544%0.44331%0.307SS..SBendtrans-85.4136.2179.6-55.6-170.2-159.3130.30110.5M105 F420 Q424 E425 Y426M105-K422 CarbonylContact O-C 3.56Å; M105-K422 WeakPolarHBondContact O-CA 3.18Å; F420-K422 VanDerWaalsContact C-N 3.34Å; F420-K422 PolarHBondContact O-N 3.32Å; K422-Q424 PolarHBondContact O-N 2.62Å; K422-E425 HydrophobicContact CB-CB 4.4Å; K422-E425 HydrophobicContact CB-CG 4.23Å; K422-E425 WeakPolarHBondContact CD-OE1 3.22Å; K422-E425 IonicContact NZ-OE1 2.77Å; K422-E425 PolarHBondContact NZ-OE1 3.48Å; K422-E425 PolarHBondContact O-N 3.3Å; K422-E425 VanDerWaalsContact O-N 3.16Å; K422-Y426 WeakPolarHBondContact O-CB 3.48Å; K422-Y426 PolarHBondContact O-N 3.42Å
423V92.5Very high95.2Very high18 Ų1861 Ų6111%0.10932%0.319CS..Hα-helixtrans-54.8-41.3179.2179.50000111.8M105 I114 T382 L385 Y426 L427M105-V423 HydrophobicContact CB-CG2 3.77Å; M105-V423 HydrophobicContact CE-CG2 3.46Å; M105-V423 VanDerWaalsContact CE-CG2 3.46Å; M105-V423 WeakPolarHBondContact O-CG2 3.13Å; M105-V423 PolarHBondContact O-N 2.98Å; I114-V423 HydrophobicContact CG2-CG2 4.3Å; T382-V423 HydrophobicContact CG2-CG2 4.46Å; L385-V423 HydrophobicContact CD1-CG2 4.25Å; V423-Y426 WeakPolarHBondContact O-CB 3.48Å; V423-Y426 PolarHBondContact O-N 2.86Å; V423-L427 HydrophobicContact CG1-CD1 3.78Å; V423-L427 HydrophobicContact CG1-CG 4.06Å; V423-L427 WeakPolarHBondContact O-CB 3.48Å; V423-L427 VanDerWaalsContact O-CG 3.29Å; V423-L427 WeakPolarHBondContact O-CG 3.24Å; V423-L427 PolarHBondContact O-N 2.91Å
424Q92.4Very high95.4Very high160 Ų16056 Ų5675%0.74830%0.296SS*.Hα-helixtrans-61.6-47.9-179.8-170.6177.73.900111.8K422 L427 T428K422-Q424 PolarHBondContact O-N 2.62Å; Q424-L427 PolarHBondContact O-N 2.91Å; Q424-T428 WeakPolarHBondContact O-CG2 3.46Å; Q424-T428 PolarHBondContact O-N 3.4Å; Q424-T428 PolarHBondContact O-OG1 3.38Å
425E94.6Very high95.5Very high62 Ų6257.5 Ų57.529%0.2930%0.304SS..Hα-helixtrans-64.7-43.3177.5-65.1169.1-163.900110.7K422 L427 T428 R429K422-E425 HydrophobicContact CB-CB 4.4Å; K422-E425 HydrophobicContact CB-CG 4.23Å; K422-E425 WeakPolarHBondContact CD-OE1 3.22Å; K422-E425 IonicContact NZ-OE1 2.77Å; K422-E425 PolarHBondContact NZ-OE1 3.48Å; K422-E425 PolarHBondContact O-N 3.3Å; K422-E425 VanDerWaalsContact O-N 3.16Å; E425-L427 PolarHBondContact O-N 3.22Å; E425-T428 WeakPolarHBondContact CA-OG1 3.44Å; E425-T428 PolarHBondContact O-N 3.3Å; E425-T428 PolarHBondContact O-OG1 3.06Å; E425-R429 WeakPolarHBondContact O-CB 3.48Å; E425-R429 WeakPolarHBondContact O-CG 3.18Å; E425-R429 PolarHBondContact O-N 3.22Å; E425-R429 VanDerWaalsContact O-N 3.09Å
426Y95.5Very high95.5Very high0 Ų051.4 Ų51.40%028%0.277CS..Hα-helixtrans-55.2-51.3174.3160.3-99.4000112.3T382 L385 L386 M389 L416 F420 K422 V423 T428 R429 F430 I433T382-Y426 HydrophobicContact CG2-CD1 4.5Å; T382-Y426 HydrophobicContact CG2-CG 4.09Å; L385-Y426 HydrophobicContact CB-CE1 4.45Å; L386-Y426 WeakPolarHBondContact CA-OH 3.32Å; L386-Y426 HydrophobicContact CB-CE2 4.09Å; L386-Y426 HydrophobicContact CD1-CE2 4.25Å; M389-Y426 HydrophobicContact SD-CE1 3.88Å; M389-Y426 PolarHBondContact SD-OH 3.35Å; L416-Y426 HydrophobicContact CD1-CD2 4.04Å; L416-Y426 HydrophobicContact CD1-CE2 4.14Å; F420-Y426 HydrophobicContact CD1-CD2 4.3Å; K422-Y426 WeakPolarHBondContact O-CB 3.48Å; K422-Y426 PolarHBondContact O-N 3.42Å; V423-Y426 WeakPolarHBondContact O-CB 3.48Å; V423-Y426 PolarHBondContact O-N 2.86Å; Y426-T428 VanDerWaalsContact C-N 3.33Å; Y426-T428 PolarHBondContact O-N 3.38Å; Y426-R429 PolarHBondContact O-N 3.16Å; Y426-R429 VanDerWaalsContact O-N 3.16Å; Y426-F430 AromaticContact CD2-CD2 3.79Å; Y426-F430 HydrophobicContact CD2-CD2 3.79Å; Y426-F430 AromaticContact CD2-CE2 3.8Å; Y426-F430 HydrophobicContact CD2-CE2 3.8Å; Y426-F430 AromaticContact CE2-CD2 3.62Å; Y426-F430 HydrophobicContact CE2-CD2 3.62Å; Y426-F430 AromaticContact CE2-CE2 3.64Å; Y426-F430 HydrophobicContact CE2-CE2 3.64Å; Y426-F430 WeakPolarHBondContact O-CD2 3.36Å; Y426-F430 PolarHBondContact O-N 3.42Å; Y426-I433 WeakPolarHBondContact OH-CD1 3.4Å
427L93.9Very high95.4Very high92 Ų9251.9 Ų51.948%0.48228%0.28SS..Hα-helixtrans-63.8-38.2-179.8-70.4174.8000111.9M389 V423 Q424 E425 R429M389-L427 HydrophobicContact CE-CD2 4.46Å; V423-L427 HydrophobicContact CG1-CD1 3.78Å; V423-L427 HydrophobicContact CG1-CG 4.06Å; V423-L427 WeakPolarHBondContact O-CB 3.48Å; V423-L427 VanDerWaalsContact O-CG 3.29Å; V423-L427 WeakPolarHBondContact O-CG 3.24Å; V423-L427 PolarHBondContact O-N 2.91Å; Q424-L427 PolarHBondContact O-N 2.91Å; E425-L427 PolarHBondContact O-N 3.22Å; L427-R429 VanDerWaalsContact C-N 3.26Å; L427-R429 PolarHBondContact O-N 3.16Å
428T95.4Very high95.5Very high108 Ų10855.1 Ų55.166%0.66329%0.291SS*.Hα-helixtrans-69-23.617754.20000113.9Q424 E425 Y426Q424-T428 WeakPolarHBondContact O-CG2 3.46Å; Q424-T428 PolarHBondContact O-N 3.4Å; Q424-T428 PolarHBondContact O-OG1 3.38Å; E425-T428 WeakPolarHBondContact CA-OG1 3.44Å; E425-T428 PolarHBondContact O-N 3.3Å; E425-T428 PolarHBondContact O-OG1 3.06Å; Y426-T428 VanDerWaalsContact C-N 3.33Å; Y426-T428 PolarHBondContact O-N 3.38Å
429R96.7Very high95.6Very high39 Ų3950.5 Ų50.515%0.14726%0.259CS..Hα-helixtrans-88.3-13.9-177-74.1174.5177.4-69.4-5.7113.4S419 F420 E425 Y426 L427 D447 V448 T449 F450S419-R429 WeakPolarHBondContact O-CD 3.29Å; S419-R429 PolarHBondContact O-NE 2.82Å; F420-R429 HydrophobicContact CD1-CB 4.17Å; F420-R429 HydrophobicContact CE1-CB 3.56Å; F420-R429 HydrophobicContact CE1-CG 4.18Å; F420-R429 HydrophobicContact CZ-CB 4.23Å; E425-R429 WeakPolarHBondContact O-CB 3.48Å; E425-R429 WeakPolarHBondContact O-CG 3.18Å; E425-R429 PolarHBondContact O-N 3.22Å; E425-R429 VanDerWaalsContact O-N 3.09Å; Y426-R429 PolarHBondContact O-N 3.16Å; Y426-R429 VanDerWaalsContact O-N 3.16Å; L427-R429 VanDerWaalsContact C-N 3.26Å; L427-R429 PolarHBondContact O-N 3.16Å; R429-D447 IonicContact CZ-OD1 3.18Å; R429-D447 IonicContact NH1-OD1 2.66Å; R429-D447 PolarHBondContact NH1-OD1 2.89Å; R429-D447 IonicContact NH2-OD1 2.77Å; R429-D447 PolarHBondContact NH2-OD1 2.78Å; R429-V448 PolarHBondContact NH1-O 3.15Å; R429-T449 HydrophobicContact CG-CG2 4.48Å; R429-T449 CarbonylContact O-C 3.58Å; R429-T449 WeakPolarHBondContact O-CA 3.45Å; R429-F450 PolarHBondContact O-N 3Å
430F96.8Very high95.6Very high12 Ų1253.1 Ų53.15%0.05327%0.27CS..BIsolated β-bridgetrans-116.9102.5174.5-73.8-80.8000109.2L386 L416 F420 Y426 S432 P434 F450L386-F430 HydrophobicContact CD1-CE1 4.22Å; L386-F430 HydrophobicContact CD1-CE2 4.37Å; L386-F430 HydrophobicContact CD1-CZ 4.12Å; L386-F430 HydrophobicContact CD2-CE1 4.42Å; L386-F430 HydrophobicContact CD2-CE2 4.43Å; L386-F430 HydrophobicContact CD2-CZ 3.86Å; L416-F430 HydrophobicContact CD1-CE2 4.33Å; F420-F430 HydrophobicContact CD1-CD2 4.42Å; F420-F430 AromaticContact CD1-CE2 3.77Å; F420-F430 HydrophobicContact CD1-CE2 3.77Å; F420-F430 HydrophobicContact CE1-CD2 4.15Å; F420-F430 AromaticContact CE1-CE2 3.51Å; F420-F430 HydrophobicContact CE1-CE2 3.51Å; F420-F430 HydrophobicContact CE1-CZ 4.11Å; Y426-F430 AromaticContact CD2-CD2 3.79Å; Y426-F430 HydrophobicContact CD2-CD2 3.79Å; Y426-F430 AromaticContact CD2-CE2 3.8Å; Y426-F430 HydrophobicContact CD2-CE2 3.8Å; Y426-F430 AromaticContact CE2-CD2 3.62Å; Y426-F430 HydrophobicContact CE2-CD2 3.62Å; Y426-F430 AromaticContact CE2-CE2 3.64Å; Y426-F430 HydrophobicContact CE2-CE2 3.64Å; Y426-F430 WeakPolarHBondContact O-CD2 3.36Å; Y426-F430 PolarHBondContact O-N 3.42Å; F430-S432 PolarHBondContact O-N 3.36Å; F430-P434 HydrophobicContact CD1-CG 4.43Å; F430-P434 HydrophobicContact CE1-CG 4.12Å; F430-F450 HydrophobicContact CD1-CB 3.6Å; F430-F450 AromaticContact CD1-CD2 3.62Å; F430-F450 HydrophobicContact CD1-CD2 3.62Å; F430-F450 HydrophobicContact CD1-CE2 4.41Å; F430-F450 AromaticContact CD1-CG 3.68Å; F430-F450 HydrophobicContact CD1-CG 3.68Å; F430-F450 HydrophobicContact CE1-CB 3.92Å; F430-F450 AromaticContact CE1-CD1 3.99Å; F430-F450 HydrophobicContact CE1-CD1 3.99Å; F430-F450 AromaticContact CE1-CD2 3.17Å; F430-F450 HydrophobicContact CE1-CD2 3.17Å; F430-F450 HydrophobicContact CE1-CE1 4.29Å; F430-F450 AromaticContact CE1-CE2 3.54Å; F430-F450 HydrophobicContact CE1-CE2 3.54Å; F430-F450 AromaticContact CE1-CG 3.42Å; F430-F450 HydrophobicContact CE1-CG 3.42Å; F430-F450 VanDerWaalsContact CE1-CG 3.42Å; F430-F450 HydrophobicContact CE1-CZ 4.08Å; F430-F450 HydrophobicContact CE2-CD2 4.26Å; F430-F450 HydrophobicContact CE2-CE2 4.4Å; F430-F450 HydrophobicContact CG-CB 4.45Å; F430-F450 HydrophobicContact CG-CD2 4.33Å; F430-F450 AromaticContact CZ-CD2 3.54Å; F430-F450 HydrophobicContact CZ-CD2 3.54Å; F430-F450 AromaticContact CZ-CE2 3.52Å; F430-F450 HydrophobicContact CZ-CE2 3.52Å; F430-F450 HydrophobicContact CZ-CG 4.25Å; F430-F450 HydrophobicContact CZ-CZ 4.21Å
431E95.8Very high95.6Very high123 Ų12355.6 Ų55.658%0.57528%0.282SS*.SBendtrans-62.2-31.2174.5-71.4-176.3-144.100112.3F450 K452E431-F450 PolarHBondContact N-O 2.88Å; E431-K452 HydrophobicContact CB-CG 3.81Å; E431-K452 WeakPolarHBondContact OE2-CE 3.43Å; E431-K452 WeakPolarHBondContact OE2-CG 3.28Å
432S95.6Very high95.8Very high33 Ų3352.4 Ų52.423%0.23126%0.263CS..SBendtrans-146.8154.6166.867.40000109.2F430 K452 N453F430-S432 PolarHBondContact O-N 3.36Å; S432-K452 VanDerWaalsContact OG-CA 3.32Å; S432-K452 WeakPolarHBondContact OG-CA 3.46Å; S432-N453 PolarHBondContact OG-N 2.78Å
433I96.8Very high96Very high58 Ų5849.1 Ų49.130%0.29725%0.251SS..PPolyproline II helixtrans-67.2126.2173.5-54.5-63.9000109.1L386 M389 Y426L386-I433 HydrophobicContact CD1-CD1 4.24Å; L386-I433 HydrophobicContact CD1-CG2 4.1Å; M389-I433 HydrophobicContact CB-CD1 3.93Å; M389-I433 HydrophobicContact CB-CG1 3.98Å; M389-I433 HydrophobicContact CB-CG2 4.23Å; M389-I433 HydrophobicContact CG-CD1 4.5Å; M389-I433 HydrophobicContact SD-CD1 3.85Å; Y426-I433 WeakPolarHBondContact OH-CD1 3.4Å
434P97.4Very high96.2Very high2 Ų248.3 Ų48.31%0.01325%0.246CC..PPolyproline II helixtrans-67.5158.5-178.527.5-34.8000112L386 F430 M436 V454 L456L386-P434 HydrophobicContact CD1-CG 4.35Å; F430-P434 HydrophobicContact CD1-CG 4.43Å; F430-P434 HydrophobicContact CE1-CG 4.12Å; P434-M436 HydrophobicContact CB-CG 4.47Å; P434-M436 HydrophobicContact CG-CG 4.06Å; P434-M436 HydrophobicContact CG-SD 4.06Å; P434-M436 PolarHBondContact O-N 3.16Å; P434-V454 CarbonylContact C-O 3.38Å; P434-V454 WeakPolarHBondContact CA-O 3.45Å; P434-V454 HydrophobicContact CB-CB 4.16Å; P434-V454 HydrophobicContact CB-CG1 4.28Å; P434-V454 VanDerWaalsContact CB-O 3.22Å; P434-V454 WeakPolarHBondContact CB-O 3.19Å; P434-L456 HydrophobicContact CB-CD1 4.04Å; P434-L456 HydrophobicContact CB-CG 4.12Å; P434-L456 HydrophobicContact CG-CD1 3.85Å; P434-L456 HydrophobicContact CG-CG 4.47Å
435D97.7Very high96.5Very high48 Ų4843.4 Ų43.426%0.25723%0.229SC..BIsolated β-bridgetrans-67.9123.8164168.130.2000109.3N391 L437 V454 S455 L456N391-D435 PolarHBondContact ND2-OD1 2.62Å; N391-D435 PolarHBondContact OD1-OD1 3.4Å; D435-L437 WeakPolarHBondContact OD1-CB 3.38Å; D435-L437 PolarHBondContact OD1-N 2.94Å; D435-L437 VanDerWaalsContact OD1-N 3.09Å; D435-V454 PolarHBondContact N-O 3.09Å; D435-S455 PolarHBondContact OD2-OG 3.4Å; D435-L456 PolarHBondContact O-N 3.19Å
436M97.3Very high96.5Very high0 Ų041.3 Ų41.30%022%0.224CC..  trans-129.116.3-176.7-61.2174.273.600111.5L386 L387 N391 V414 P434 E438 L439 L442L386-M436 HydrophobicContact CD1-SD 4.1Å; L386-M436 HydrophobicContact CD2-CE 3.94Å; L386-M436 HydrophobicContact CD2-SD 4.08Å; L386-M436 HydrophobicContact CG-CE 3.98Å; L386-M436 HydrophobicContact CG-SD 3.7Å; L387-M436 HydrophobicContact CD2-CE 4.38Å; N391-M436 PolarHBondContact OD1-N 2.86Å; V414-M436 HydrophobicContact CG2-CE 3.59Å; P434-M436 HydrophobicContact CB-CG 4.47Å; P434-M436 HydrophobicContact CG-CG 4.06Å; P434-M436 HydrophobicContact CG-SD 4.06Å; P434-M436 PolarHBondContact O-N 3.16Å; M436-E438 VanDerWaalsContact C-N 3.28Å; M436-E438 PolarHBondContact O-N 3.37Å; M436-L439 HydrophobicContact CB-CB 4.16Å; M436-L439 HydrophobicContact CB-CD2 4.18Å; M436-L439 HydrophobicContact CE-CD2 3.25Å; M436-L439 HydrophobicContact CG-CD2 4.24Å; M436-L439 WeakPolarHBondContact O-CB 3.44Å; M436-L439 PolarHBondContact O-N 3.03Å; M436-L442 HydrophobicContact CE-CD2 4.13Å
437L95.9Very high96.6Very high28 Ų2843.6 Ų43.615%0.14724%0.237CC..THydrogen-bonded Turntrans-66.2-31.2-172.6-171.667.1000112.8K405 R406 D435K405-L437 HydrophobicContact CB-CD1 4.25Å; K405-L437 HydrophobicContact CB-CD2 3.67Å; K405-L437 HydrophobicContact CB-CG 4.48Å; K405-L437 HydrophobicContact CD-CD2 4.39Å; R406-L437 HydrophobicContact CB-CD1 4.13Å; R406-L437 WeakPolarHBondContact CD-O 3.33Å; R406-L437 PolarHBondContact NH1-O 3.48Å; D435-L437 WeakPolarHBondContact OD1-CB 3.38Å; D435-L437 PolarHBondContact OD1-N 2.94Å; D435-L437 VanDerWaalsContact OD1-N 3.09Å
438E96Very high96.8Very high85 Ų8539.2 Ų39.240%0.39721%0.214SC..THydrogen-bonded Turntrans-107.415.2178.2-66.5171.4-138.700112.1M436 K457 G458M436-E438 VanDerWaalsContact C-N 3.28Å; M436-E438 PolarHBondContact O-N 3.37Å; E438-K457 HydrophobicContact CB-CB 4.3Å; E438-K457 HydrophobicContact CB-CD 4.35Å; E438-K457 HydrophobicContact CB-CG 4.04Å; E438-K457 IonicContact OE1-NZ 2.66Å; E438-K457 PolarHBondContact OE1-NZ 3.05Å; E438-K457 VanDerWaalsContact OE2-CD 3.29Å; E438-K457 WeakPolarHBondContact OE2-CD 3.47Å; E438-K457 VanDerWaalsContact OE2-CE 3.29Å; E438-K457 WeakPolarHBondContact OE2-CE 3.49Å; E438-K457 IonicContact OE2-NZ 3.98Å; E438-K457 PolarHBondContact OE2-NZ 2.72Å; E438-G458 PolarHBondContact O-N 2.95Å
439L97.4Very high96.9Very high0 Ų035.2 Ų35.20%019%0.189CC..EExtended strand (participates in β ladder)trans-76.8144.1178.5-175.870.8000111.2R406 P412 V414 M436 L442 L456 G458 V460R406-L439 PolarHBondContact NH1-O 3.16Å; R406-L439 PolarHBondContact NH2-O 3.43Å; P412-L439 HydrophobicContact CB-CB 4.32Å; P412-L439 HydrophobicContact CB-CD2 4.13Å; P412-L439 HydrophobicContact CB-CG 4.11Å; P412-L439 WeakPolarHBondContact CB-O 3.39Å; P412-L439 HydrophobicContact CG-CD2 4.38Å; V414-L439 HydrophobicContact CG2-CD2 4.12Å; M436-L439 HydrophobicContact CB-CB 4.16Å; M436-L439 HydrophobicContact CB-CD2 4.18Å; M436-L439 HydrophobicContact CE-CD2 3.25Å; M436-L439 HydrophobicContact CG-CD2 4.24Å; M436-L439 WeakPolarHBondContact O-CB 3.44Å; M436-L439 PolarHBondContact O-N 3.03Å; L439-L442 HydrophobicContact CD1-CB 4.19Å; L439-L442 HydrophobicContact CD2-CB 3.84Å; L439-L456 HydrophobicContact CD1-CB 3.95Å; L439-G458 WeakPolarHBondContact CD1-O 3.45Å; L439-V460 HydrophobicContact CD1-CG2 4.44Å
440D94.9Very high97Very high78 Ų7833.4 Ų33.442%0.41718%0.182SC..EExtended strand (participates in β ladder)trans-116.4-41.7169.1-65.3-35.5000112.2R406 P412 H413 G458R406-D440 IonicContact NH2-OD1 4Å; R406-D440 PolarHBondContact NH2-OD1 2.99Å; R406-D440 VanDerWaalsContact NH2-OD1 3.07Å; P412-D440 WeakPolarHBondContact CA-O 3.42Å; P412-D440 WeakPolarHBondContact CB-O 3.5Å; H413-D440 PolarHBondContact N-O 2.86Å; D440-G458 PolarHBondContact N-O 2.86Å
441H96.6Very high97Very high53 Ų5333 Ų3325%0.24518%0.182CC..EExtended strand (participates in β ladder)trans-143.5128.7-178-173.193.7000111.2H413 T443 G458 T459 V460H413-H441 AromaticContact CE1-CE1 3.92Å; H413-H441 AromaticContact CG-ND1 3.85Å; H413-H441 AromaticContact ND1-CE1 3.29Å; H413-H441 PolarHBondContact ND1-CE1 2.81Å; H413-H441 VanDerWaalsContact ND1-CE1 3.29Å; H413-H441 AromaticContact ND1-ND1 3.43Å; H413-H441 PolarHBondContact ND1-ND1 2.83Å; H413-H441 CarbonylContact O-C 3.53Å; H413-H441 WeakPolarHBondContact O-CA 3.31Å; H441-T443 PolarHBondContact NE2-OG1 3.23Å; H441-G458 PolarHBondContact N-O 2.75Å; H441-T459 HydrophobicContact CB-CG2 4.14Å; H441-T459 WeakPolarHBondContact O-CA 3.22Å; H441-V460 PolarHBondContact O-N 2.79Å
442L98.1Very high97.1Very high0 Ų032.7 Ų32.70%018%0.178CC..EExtended strand (participates in β ladder)trans-126.8122.5172.2176.862.4000109.7L386 H413 V414 K415 L416 M436 L439 V444 L456 V460L386-L442 HydrophobicContact CD2-CD2 3.92Å; H413-L442 PolarHBondContact O-N 3.29Å; V414-L442 CarbonylContact C-O 3.22Å; V414-L442 WeakPolarHBondContact CA-O 3.29Å; V414-L442 HydrophobicContact CG1-CD2 4.14Å; V414-L442 HydrophobicContact CG2-CB 4.2Å; K415-L442 PolarHBondContact N-O 2.87Å; L416-L442 HydrophobicContact CD2-CD2 4.47Å; M436-L442 HydrophobicContact CE-CD2 4.13Å; L439-L442 HydrophobicContact CD1-CB 4.19Å; L439-L442 HydrophobicContact CD2-CB 3.84Å; L442-V444 HydrophobicContact CD1-CG2 3.63Å; L442-V444 HydrophobicContact CD2-CG2 4.32Å; L442-V444 HydrophobicContact CG-CG2 3.89Å; L442-L456 HydrophobicContact CD1-CD1 4.09Å; L442-L456 HydrophobicContact CD2-CD1 3.78Å; L442-V460 VanDerWaalsContact CA-O 3.31Å; L442-V460 WeakPolarHBondContact CA-O 3.31Å; L442-V460 HydrophobicContact CD1-CB 4.08Å; L442-V460 HydrophobicContact CD1-CG1 4.13Å
443T98.1Very high97.1Very high32 Ų3237.4 Ų37.420%0.19620%0.201CC..EExtended strand (participates in β ladder)trans-123.7123.4167.1-70.60000109.2K415 H441 V460 I461 I462K415-T443 WeakPolarHBondContact O-CA 3.35Å; H441-T443 PolarHBondContact NE2-OG1 3.23Å; T443-V460 PolarHBondContact N-O 3.35Å; T443-I461 HydrophobicContact CG2-CG2 4.48Å; T443-I461 CarbonylContact O-C 3.56Å; T443-I461 WeakPolarHBondContact O-CA 3.46Å; T443-I462 PolarHBondContact O-N 3.13Å
444V97.9Very high97.2Very high2 Ų234.8 Ų34.81%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-123.3124.5177.7-174.10000108.7K415 L416 G417 F420 L442 V448 F450 I462K415-V444 PolarHBondContact O-N 3.43Å; L416-V444 CarbonylContact C-O 3.49Å; L416-V444 HydrophobicContact CD2-CB 4.01Å; L416-V444 HydrophobicContact CD2-CG2 3.9Å; G417-V444 WeakPolarHBondContact CA-O 3.39Å; G417-V444 PolarHBondContact N-O 2.87Å; F420-V444 HydrophobicContact CE2-CB 4.5Å; F420-V444 HydrophobicContact CE2-CG1 3.7Å; F420-V444 HydrophobicContact CZ-CG1 3.93Å; L442-V444 HydrophobicContact CD1-CG2 3.63Å; L442-V444 HydrophobicContact CD2-CG2 4.32Å; L442-V444 HydrophobicContact CG-CG2 3.89Å; V444-V448 HydrophobicContact CG1-CB 3.71Å; V444-V448 HydrophobicContact CG1-CG1 3.89Å; V444-V448 HydrophobicContact CG1-CG2 3.79Å; V444-F450 HydrophobicContact CG1-CE2 4.27Å; V444-F450 HydrophobicContact CG1-CZ 4.31Å; V444-F450 HydrophobicContact CG2-CE2 4.41Å; V444-F450 HydrophobicContact CG2-CZ 3.88Å; V444-I462 CarbonylContact C-O 3.47Å; V444-I462 WeakPolarHBondContact CA-O 3.41Å; V444-I462 HydrophobicContact CG1-CB 4.42Å
445S97.4Very high97.2Very high56 Ų5635.4 Ų35.439%0.39219%0.192SC..EExtended strand (participates in β ladder)trans-133.5142.2-179.8-174.20000111.2I462 A464S445-I462 PolarHBondContact N-O 3.02Å; S445-A464 PolarHBondContact O-N 2.87Å
446G95.9Very high97.3Very high18 Ų1833.1 Ų33.119%0.18618%0.18CC..SBendtrans91-161.6179.400000114.2S419 V448 A464S419-G446 WeakPolarHBondContact CB-O 3.5Å; S419-G446 PolarHBondContact OG-O 3.47Å; G446-V448 PolarHBondContact O-N 3.26Å; G446-A464 WeakPolarHBondContact CA-O 3.38Å
447D97Very high97.3Very high49 Ų4934.8 Ų34.826%0.26219%0.187SC..EExtended strand (participates in β ladder)trans-84.792.4179.1-17014.3000109.9R429 R469 I470R429-D447 IonicContact CZ-OD1 3.18Å; R429-D447 IonicContact NH1-OD1 2.66Å; R429-D447 PolarHBondContact NH1-OD1 2.89Å; R429-D447 IonicContact NH2-OD1 2.77Å; R429-D447 PolarHBondContact NH2-OD1 2.78Å; D447-R469 HydrophobicContact CB-CB 4.33Å; D447-R469 HydrophobicContact CB-CG 4.47Å; D447-R469 CarbonylContact O-C 3.56Å; D447-R469 VanDerWaalsContact O-CA 3.3Å; D447-R469 WeakPolarHBondContact O-CA 3.48Å; D447-I470 PolarHBondContact O-N 2.62Å
448V98Very high97.3Very high0 Ų033.8 Ų33.80%018%0.184CC..EExtended strand (participates in β ladder)trans-122.6139.4-175.6-176.70000110.7F420 R429 V444 G446 F450 I462 A464 I470 I472F420-V448 HydrophobicContact CE2-CB 4.37Å; F420-V448 HydrophobicContact CZ-CB 4.17Å; F420-V448 VanDerWaalsContact CZ-O 3.32Å; F420-V448 WeakPolarHBondContact CZ-O 3.35Å; R429-V448 PolarHBondContact NH1-O 3.15Å; V444-V448 HydrophobicContact CG1-CB 3.71Å; V444-V448 HydrophobicContact CG1-CG1 3.89Å; V444-V448 HydrophobicContact CG1-CG2 3.79Å; G446-V448 PolarHBondContact O-N 3.26Å; V448-F450 HydrophobicContact CG1-CD2 4.41Å; V448-F450 HydrophobicContact CG1-CE2 3.83Å; V448-F450 HydrophobicContact CG1-CZ 4.1Å; V448-I462 HydrophobicContact CG1-CG2 3.92Å; V448-I462 HydrophobicContact CG2-CG2 3.99Å; V448-A464 HydrophobicContact CG2-CB 4.04Å; V448-I470 CarbonylContact C-O 3.35Å; V448-I470 VanDerWaalsContact CA-O 3.27Å; V448-I470 WeakPolarHBondContact CA-O 3.34Å; V448-I470 HydrophobicContact CG2-CB 4.41Å; V448-I472 HydrophobicContact CG1-CG1 4.34Å
449T97.8Very high97.4Very high24 Ų2432.6 Ų32.615%0.14718%0.182CC..EExtended strand (participates in β ladder)trans-126.2156171.374.10000111.3R429 I470 D471 I472R429-T449 HydrophobicContact CG-CG2 4.48Å; R429-T449 CarbonylContact O-C 3.58Å; R429-T449 WeakPolarHBondContact O-CA 3.45Å; T449-I470 PolarHBondContact N-O 2.78Å; T449-D471 WeakPolarHBondContact CG2-OD1 3.37Å; T449-D471 WeakPolarHBondContact OG1-CA 3.25Å; T449-D471 WeakPolarHBondContact OG1-CB 3.34Å; T449-D471 PolarHBondContact OG1-OD1 2.92Å; T449-I472 WeakPolarHBondContact O-CB 3.45Å; T449-I472 WeakPolarHBondContact O-CG1 3.41Å; T449-I472 PolarHBondContact O-N 2.66Å
450F98.4Very high97.5Very high1 Ų132.6 Ų32.60%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-126.8119.6-179.4-64.9-96.9000110F420 R429 F430 E431 V444 V448 V454 I462 I472F420-F450 HydrophobicContact CE1-CE2 4.35Å; F420-F450 HydrophobicContact CZ-CE2 4.11Å; R429-F450 PolarHBondContact O-N 3Å; F430-F450 HydrophobicContact CD1-CB 3.6Å; F430-F450 AromaticContact CD1-CD2 3.62Å; F430-F450 HydrophobicContact CD1-CD2 3.62Å; F430-F450 HydrophobicContact CD1-CE2 4.41Å; F430-F450 AromaticContact CD1-CG 3.68Å; F430-F450 HydrophobicContact CD1-CG 3.68Å; F430-F450 HydrophobicContact CE1-CB 3.92Å; F430-F450 AromaticContact CE1-CD1 3.99Å; F430-F450 HydrophobicContact CE1-CD1 3.99Å; F430-F450 AromaticContact CE1-CD2 3.17Å; F430-F450 HydrophobicContact CE1-CD2 3.17Å; F430-F450 HydrophobicContact CE1-CE1 4.29Å; F430-F450 AromaticContact CE1-CE2 3.54Å; F430-F450 HydrophobicContact CE1-CE2 3.54Å; F430-F450 AromaticContact CE1-CG 3.42Å; F430-F450 HydrophobicContact CE1-CG 3.42Å; F430-F450 VanDerWaalsContact CE1-CG 3.42Å; F430-F450 HydrophobicContact CE1-CZ 4.08Å; F430-F450 HydrophobicContact CE2-CD2 4.26Å; F430-F450 HydrophobicContact CE2-CE2 4.4Å; F430-F450 HydrophobicContact CG-CB 4.45Å; F430-F450 HydrophobicContact CG-CD2 4.33Å; F430-F450 AromaticContact CZ-CD2 3.54Å; F430-F450 HydrophobicContact CZ-CD2 3.54Å; F430-F450 AromaticContact CZ-CE2 3.52Å; F430-F450 HydrophobicContact CZ-CE2 3.52Å; F430-F450 HydrophobicContact CZ-CG 4.25Å; F430-F450 HydrophobicContact CZ-CZ 4.21Å; E431-F450 PolarHBondContact N-O 2.88Å; V444-F450 HydrophobicContact CG1-CE2 4.27Å; V444-F450 HydrophobicContact CG1-CZ 4.31Å; V444-F450 HydrophobicContact CG2-CE2 4.41Å; V444-F450 HydrophobicContact CG2-CZ 3.88Å; V448-F450 HydrophobicContact CG1-CD2 4.41Å; V448-F450 HydrophobicContact CG1-CE2 3.83Å; V448-F450 HydrophobicContact CG1-CZ 4.1Å; F450-V454 HydrophobicContact CD1-CG1 4.24Å; F450-I462 HydrophobicContact CE1-CD1 3.73Å; F450-I462 HydrophobicContact CZ-CD1 3.75Å; F450-I472 HydrophobicContact CD1-CB 4.2Å; F450-I472 HydrophobicContact CD1-CG1 4.19Å; F450-I472 HydrophobicContact CD1-CG2 4.41Å; F450-I472 HydrophobicContact CE1-CG1 4.23Å
451G97.3Very high97.6Very high4 Ų430.8 Ų30.84%0.04117%0.172CC..  trans-69.5-178.2171.500000113.2V454 I472G451-V454 WeakPolarHBondContact O-CG2 3.4Å; G451-I472 PolarHBondContact N-O 2.77Å
452K96.9Very high97.7Very high115 Ų11528.3 Ų28.350%0.516%0.161SC..THydrogen-bonded Turntrans-66.4149179.7-69.7171.4-170174.30113E431 S432 V454 A474 G475E431-K452 HydrophobicContact CB-CG 3.81Å; E431-K452 WeakPolarHBondContact OE2-CE 3.43Å; E431-K452 WeakPolarHBondContact OE2-CG 3.28Å; S432-K452 VanDerWaalsContact OG-CA 3.32Å; S432-K452 WeakPolarHBondContact OG-CA 3.46Å; K452-V454 VanDerWaalsContact C-N 3.29Å; K452-V454 PolarHBondContact O-N 2.77Å; K452-A474 HydrophobicContact CB-CB 4.41Å; K452-A474 CarbonylContact O-C 3.56Å; K452-A474 WeakPolarHBondContact O-CA 3.37Å; K452-A474 WeakPolarHBondContact O-CB 3.48Å; K452-G475 PolarHBondContact O-N 2.77Å
453N96.6Very high97.7Very high133 Ų13331.2 Ų31.271%0.71118%0.175SC*.THydrogen-bonded Turntrans57.933.6169.6-52.8-35.1000114.8S432 G475S432-N453 PolarHBondContact OG-N 2.78Å; N453-G475 WeakPolarHBondContact O-CA 3.4Å
454V98.3Very high97.6Very high2 Ų229.9 Ų29.91%0.01217%0.168CC..  trans-71.5141.8172.5172.90000110P434 D435 F450 G451 K452 L456 I472 S476P434-V454 CarbonylContact C-O 3.38Å; P434-V454 WeakPolarHBondContact CA-O 3.45Å; P434-V454 HydrophobicContact CB-CB 4.16Å; P434-V454 HydrophobicContact CB-CG1 4.28Å; P434-V454 VanDerWaalsContact CB-O 3.22Å; P434-V454 WeakPolarHBondContact CB-O 3.19Å; D435-V454 PolarHBondContact N-O 3.09Å; F450-V454 HydrophobicContact CD1-CG1 4.24Å; G451-V454 WeakPolarHBondContact O-CG2 3.4Å; K452-V454 VanDerWaalsContact C-N 3.29Å; K452-V454 PolarHBondContact O-N 2.77Å; V454-L456 HydrophobicContact CG1-CD2 3.79Å; V454-L456 HydrophobicContact CG1-CG 4.21Å; V454-I472 HydrophobicContact CG1-CG2 4.33Å; V454-I472 HydrophobicContact CG2-CG2 4.03Å; V454-S476 CarbonylContact C-O 3.5Å; V454-S476 VanDerWaalsContact CA-O 3.28Å; V454-S476 WeakPolarHBondContact CA-O 3.37Å; V454-S476 WeakPolarHBondContact CG1-O 3.27Å
455S98.3Very high97.4Very high16 Ų1634.5 Ų34.511%0.11219%0.192CC..EExtended strand (participates in β ladder)trans-119.2132.2173.4-178.40000110.6D435 S476 M477 L478D435-S455 PolarHBondContact OD2-OG 3.4Å; S455-S476 PolarHBondContact N-O 3.01Å; S455-M477 WeakPolarHBondContact O-CA 3.43Å; S455-L478 PolarHBondContact O-N 2.98Å
456L98.3Very high97.2Very high0 Ų041.2 Ų41.20%022%0.217CC..EExtended strand (participates in β ladder)trans-121.8121.2-176.6-54.4176.9000109.5P434 D435 L439 L442 V454 V460 L478P434-L456 HydrophobicContact CB-CD1 4.04Å; P434-L456 HydrophobicContact CB-CG 4.12Å; P434-L456 HydrophobicContact CG-CD1 3.85Å; P434-L456 HydrophobicContact CG-CG 4.47Å; D435-L456 PolarHBondContact O-N 3.19Å; L439-L456 HydrophobicContact CD1-CB 3.95Å; L442-L456 HydrophobicContact CD1-CD1 4.09Å; L442-L456 HydrophobicContact CD2-CD1 3.78Å; V454-L456 HydrophobicContact CG1-CD2 3.79Å; V454-L456 HydrophobicContact CG1-CG 4.21Å; L456-V460 HydrophobicContact CB-CG2 4.42Å; L456-V460 HydrophobicContact CD2-CG1 4.31Å; L456-L478 WeakPolarHBondContact CA-O 3.26Å; L456-L478 HydrophobicContact CD2-CB 4.03Å; L456-L478 HydrophobicContact CD2-CD1 4Å; L456-L478 HydrophobicContact CD2-CG 4.34Å
457K97.7Very high97Very high35 Ų3543.3 Ų43.315%0.15224%0.239CC..EExtended strand (participates in β ladder)trans-131.7143.3-173.1-56.8-172.3167-150.10112.4E438 T459 L478 E479 N480E438-K457 HydrophobicContact CB-CB 4.3Å; E438-K457 HydrophobicContact CB-CD 4.35Å; E438-K457 HydrophobicContact CB-CG 4.04Å; E438-K457 IonicContact OE1-NZ 2.66Å; E438-K457 PolarHBondContact OE1-NZ 3.05Å; E438-K457 VanDerWaalsContact OE2-CD 3.29Å; E438-K457 WeakPolarHBondContact OE2-CD 3.47Å; E438-K457 VanDerWaalsContact OE2-CE 3.29Å; E438-K457 WeakPolarHBondContact OE2-CE 3.49Å; E438-K457 IonicContact OE2-NZ 3.98Å; E438-K457 PolarHBondContact OE2-NZ 2.72Å; K457-T459 PolarHBondContact O-N 2.77Å; K457-L478 PolarHBondContact N-O 2.91Å; K457-E479 HydrophobicContact CB-CB 3.91Å; K457-E479 HydrophobicContact CB-CG 3.78Å; K457-E479 WeakPolarHBondContact O-CA 3.32Å; K457-N480 PolarHBondContact O-N 3.02Å; K457-N480 VanDerWaalsContact O-N 3.16Å
458G96.9Very high96.9Very high7 Ų743.1 Ų43.17%0.07224%0.238CC..EExtended strand (participates in β ladder)trans59.1-126-17900000112.5E438 L439 D440 H441 N480E438-G458 PolarHBondContact O-N 2.95Å; L439-G458 WeakPolarHBondContact CD1-O 3.45Å; D440-G458 PolarHBondContact N-O 2.86Å; H441-G458 PolarHBondContact N-O 2.75Å; G458-N480 WeakPolarHBondContact CA-OD1 3.47Å
459T98.1Very high96.8Very high59 Ų5947 Ų4736%0.36225%0.252SS..EExtended strand (participates in β ladder)trans-102.7114178.5-62.40000112H441 K457 I461 N480 K481H441-T459 HydrophobicContact CB-CG2 4.14Å; H441-T459 WeakPolarHBondContact O-CA 3.22Å; K457-T459 PolarHBondContact O-N 2.77Å; T459-I461 HydrophobicContact CG2-CD1 4.4Å; T459-I461 HydrophobicContact CG2-CG1 4.3Å; T459-N480 PolarHBondContact N-OD1 2.89Å; T459-N480 CarbonylContact O-C 3.56Å; T459-N480 WeakPolarHBondContact O-CA 3.43Å; T459-K481 PolarHBondContact O-N 3.29Å; T459-K481 VanDerWaalsContact O-N 3.13Å
460V98.4Very high96.9Very high0 Ų046 Ų460%025%0.246CC..EExtended strand (participates in β ladder)trans-117.6125.9177-176.40000110.5L439 H441 L442 T443 L456 I462 L478 K481L439-V460 HydrophobicContact CD1-CG2 4.44Å; H441-V460 PolarHBondContact O-N 2.79Å; L442-V460 VanDerWaalsContact CA-O 3.31Å; L442-V460 WeakPolarHBondContact CA-O 3.31Å; L442-V460 HydrophobicContact CD1-CB 4.08Å; L442-V460 HydrophobicContact CD1-CG1 4.13Å; T443-V460 PolarHBondContact N-O 3.35Å; L456-V460 HydrophobicContact CB-CG2 4.42Å; L456-V460 HydrophobicContact CD2-CG1 4.31Å; V460-I462 HydrophobicContact CG1-CD1 4.2Å; V460-I462 HydrophobicContact CG1-CG1 3.95Å; V460-L478 HydrophobicContact CG1-CB 4.05Å; V460-L478 HydrophobicContact CG1-CD1 4Å; V460-L478 HydrophobicContact CG2-CB 4.05Å; V460-L478 VanDerWaalsContact CG2-O 3.31Å; V460-L478 WeakPolarHBondContact CG2-O 3.36Å; V460-K481 WeakPolarHBondContact CA-O 3.35Å
461I98.3Very high96.8Very high41 Ų4146.4 Ų46.421%0.2125%0.248CC..EExtended strand (participates in β ladder)trans-126.5122.1176.6-56.4177.7000108.4T443 T459 I463 K481 I482 V483T443-I461 HydrophobicContact CG2-CG2 4.48Å; T443-I461 CarbonylContact O-C 3.56Å; T443-I461 WeakPolarHBondContact O-CA 3.46Å; T459-I461 HydrophobicContact CG2-CD1 4.4Å; T459-I461 HydrophobicContact CG2-CG1 4.3Å; I461-I463 HydrophobicContact CG2-CD1 3.87Å; I461-I463 HydrophobicContact CG2-CG1 3.85Å; I461-K481 PolarHBondContact N-O 2.78Å; I461-I482 HydrophobicContact CB-CG1 4.18Å; I461-I482 HydrophobicContact CB-CG2 4.23Å; I461-I482 HydrophobicContact CD1-CD1 4.38Å; I461-I482 HydrophobicContact CD1-CG1 4.38Å; I461-I482 HydrophobicContact CG2-CG2 4.36Å; I461-I482 CarbonylContact O-C 3.59Å; I461-I482 VanDerWaalsContact O-CA 3.27Å; I461-I482 WeakPolarHBondContact O-CA 3.3Å; I461-V483 PolarHBondContact O-N 3.17Å
462I98.1Very high96.9Very high0 Ų046.8 Ų46.80%025%0.249CC..EExtended strand (participates in β ladder)trans-120.9121.5-179.7-49.4178.3000108.8T443 V444 S445 V448 F450 V460 I470 I472 L478 V483T443-I462 PolarHBondContact O-N 3.13Å; V444-I462 CarbonylContact C-O 3.47Å; V444-I462 WeakPolarHBondContact CA-O 3.41Å; V444-I462 HydrophobicContact CG1-CB 4.42Å; S445-I462 PolarHBondContact N-O 3.02Å; V448-I462 HydrophobicContact CG1-CG2 3.92Å; V448-I462 HydrophobicContact CG2-CG2 3.99Å; F450-I462 HydrophobicContact CE1-CD1 3.73Å; F450-I462 HydrophobicContact CZ-CD1 3.75Å; V460-I462 HydrophobicContact CG1-CD1 4.2Å; V460-I462 HydrophobicContact CG1-CG1 3.95Å; I462-I470 HydrophobicContact CG2-CD1 4.14Å; I462-I470 HydrophobicContact CG2-CG2 4.33Å; I462-I472 HydrophobicContact CD1-CD1 4.16Å; I462-I472 HydrophobicContact CD1-CG1 4.19Å; I462-I472 HydrophobicContact CG2-CD1 4.49Å; I462-L478 HydrophobicContact CD1-CD1 3.9Å; I462-V483 CarbonylContact C-O 3.57Å; I462-V483 VanDerWaalsContact CA-O 3.29Å; I462-V483 WeakPolarHBondContact CA-O 3.36Å; I462-V483 HydrophobicContact CG1-CB 4.35Å; I462-V483 HydrophobicContact CG2-CB 4.34Å
463I97.5Very high96.9Very high61 Ų6144 Ų4431%0.31324%0.243SC..EExtended strand (participates in β ladder)trans-130.6106.8-175.5-52.4177.9000109.7I461 I470 V483 S484I461-I463 HydrophobicContact CG2-CD1 3.87Å; I461-I463 HydrophobicContact CG2-CG1 3.85Å; I463-I470 WeakPolarHBondContact O-CD1 3.39Å; I463-V483 PolarHBondContact N-O 3.43Å; I463-S484 VanDerWaalsContact O-CA 3.31Å; I463-S484 WeakPolarHBondContact O-CA 3.31Å
464A96.8Very high96.9Very high4 Ų441 Ų413%0.03324%0.237CC..PPolyproline II helixtrans-92.4123.5162.200000108.6S445 G446 V448 I470S445-A464 PolarHBondContact O-N 2.87Å; G446-A464 WeakPolarHBondContact CA-O 3.38Å; V448-A464 HydrophobicContact CG2-CB 4.04Å; A464-I470 HydrophobicContact CB-CB 4.49Å; A464-I470 HydrophobicContact CB-CD1 3.93Å; A464-I470 HydrophobicContact CB-CG1 3.93Å
465N94.6Very high96.8Very high99 Ų9943.5 Ų43.553%0.52926%0.263SS..PPolyproline II helixtrans-73.4171.7177.4-67.9-41.6000111.1G467 D468N465-G467 PolarHBondContact O-N 2.85Å; N465-G467 VanDerWaalsContact O-N 3.16Å; N465-D468 WeakPolarHBondContact CB-OD2 3.15Å; N465-D468 WeakPolarHBondContact O-CB 3.35Å; N465-D468 PolarHBondContact O-N 2.8Å
466H92.6Very high96.7Very high198 Ų19843.9 Ų43.992%0.91727%0.265SS*.THydrogen-bonded Turntrans-58.9120.7178.2-176.8-72.8000111.3D468H466-D468 VanDerWaalsContact C-N 3.32Å
467G91.6Very high96.7Very high62 Ų6249.8 Ų49.864%0.63930%0.295SS*.THydrogen-bonded Turntrans91.5-14.3-177.900000114.3N465N465-G467 PolarHBondContact O-N 2.85Å; N465-G467 VanDerWaalsContact O-N 3.16Å
468D95.6Very high96.7Very high44 Ų4449.2 Ų49.224%0.23529%0.293CS..  trans-88.7155.9174-65.2-32.7000111.1N465 H466 N486N465-D468 WeakPolarHBondContact CB-OD2 3.15Å; N465-D468 WeakPolarHBondContact O-CB 3.35Å; N465-D468 PolarHBondContact O-N 2.8Å; H466-D468 VanDerWaalsContact C-N 3.32Å; D468-N486 HydrophobicContact CB-CB 3.89Å; D468-N486 PolarHBondContact OD1-ND2 2.83Å
469R95.9Very high96.7Very high82 Ų8253.5 Ų53.531%0.30931%0.311SS..EExtended strand (participates in β ladder)trans-131.4142.9172.7175.3170.8169.2152.3-5.8109.6D447 D471 N486 L487 R488D447-R469 HydrophobicContact CB-CB 4.33Å; D447-R469 HydrophobicContact CB-CG 4.47Å; D447-R469 CarbonylContact O-C 3.56Å; D447-R469 VanDerWaalsContact O-CA 3.3Å; D447-R469 WeakPolarHBondContact O-CA 3.48Å; R469-D471 IonicContact CZ-OD1 3.29Å; R469-D471 VanDerWaalsContact CZ-OD1 3.29Å; R469-D471 IonicContact NE-OD1 2.78Å; R469-D471 PolarHBondContact NE-OD1 2.92Å; R469-D471 IonicContact NE-OD2 3.45Å; R469-D471 PolarHBondContact NE-OD2 3.3Å; R469-D471 IonicContact NH2-OD1 2.92Å; R469-D471 PolarHBondContact NH2-OD1 2.81Å; R469-D471 IonicContact NH2-OD2 3.81Å; R469-N486 PolarHBondContact N-OD1 2.65Å; R469-N486 CarbonylContact O-C 3.38Å; R469-N486 WeakPolarHBondContact O-CA 3.39Å; R469-N486 PolarHBondContact O-OD1 2.93Å; R469-L487 CarbonylContact O-C 3.51Å; R469-L487 PolarHBondContact O-N 2.87Å; R469-L487 VanDerWaalsContact O-O 3.08Å; R469-R488 HydrophobicContact CB-CG 4.44Å
470I98.1Very high96.7Very high4 Ų455.3 Ų55.32%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-124.1114.4173.8-63.3173.4000108.9D447 V448 T449 I462 I463 A464 I472 G485 L487D447-I470 PolarHBondContact O-N 2.62Å; V448-I470 CarbonylContact C-O 3.35Å; V448-I470 VanDerWaalsContact CA-O 3.27Å; V448-I470 WeakPolarHBondContact CA-O 3.34Å; V448-I470 HydrophobicContact CG2-CB 4.41Å; T449-I470 PolarHBondContact N-O 2.78Å; I462-I470 HydrophobicContact CG2-CD1 4.14Å; I462-I470 HydrophobicContact CG2-CG2 4.33Å; I463-I470 WeakPolarHBondContact O-CD1 3.39Å; A464-I470 HydrophobicContact CB-CB 4.49Å; A464-I470 HydrophobicContact CB-CD1 3.93Å; A464-I470 HydrophobicContact CB-CG1 3.93Å; I470-I472 HydrophobicContact CG2-CD1 3.61Å; I470-I472 HydrophobicContact CG2-CG1 4.29Å; I470-G485 WeakPolarHBondContact CD1-O 3.29Å; I470-G485 VanDerWaalsContact CG1-O 3.26Å; I470-G485 WeakPolarHBondContact CG1-O 3.26Å; I470-L487 CarbonylContact C-O 3.52Å; I470-L487 WeakPolarHBondContact CA-O 3.49Å
471D97.8Very high96.6Very high9 Ų961.2 Ų61.25%0.04834%0.344CS..EExtended strand (participates in β ladder)trans-95.7113.2168.1-59.9-41.5000109.5T449 R469 P473 L487 R488 I489T449-D471 WeakPolarHBondContact CG2-OD1 3.37Å; T449-D471 WeakPolarHBondContact OG1-CA 3.25Å; T449-D471 WeakPolarHBondContact OG1-CB 3.34Å; T449-D471 PolarHBondContact OG1-OD1 2.92Å; R469-D471 IonicContact CZ-OD1 3.29Å; R469-D471 VanDerWaalsContact CZ-OD1 3.29Å; R469-D471 IonicContact NE-OD1 2.78Å; R469-D471 PolarHBondContact NE-OD1 2.92Å; R469-D471 IonicContact NE-OD2 3.45Å; R469-D471 PolarHBondContact NE-OD2 3.3Å; R469-D471 IonicContact NH2-OD1 2.92Å; R469-D471 PolarHBondContact NH2-OD1 2.81Å; R469-D471 IonicContact NH2-OD2 3.81Å; D471-P473 WeakPolarHBondContact O-CD 3.5Å; D471-L487 PolarHBondContact N-O 2.99Å; D471-R488 VanDerWaalsContact OD2-CA 3.31Å; D471-R488 WeakPolarHBondContact OD2-CA 3.48Å; D471-I489 HydrophobicContact CB-CB 4.08Å; D471-I489 HydrophobicContact CB-CD1 4.1Å; D471-I489 HydrophobicContact CB-CG1 3.98Å; D471-I489 WeakPolarHBondContact O-CD1 3.44Å; D471-I489 PolarHBondContact OD2-N 3.16Å
472I97.9Very high96.6Very high11 Ų1165 Ų656%0.05636%0.363CS..EExtended strand (participates in β ladder)trans-80117.6176-57.7-61.2000108.6V448 T449 F450 G451 V454 I462 I470 L478 V483V448-I472 HydrophobicContact CG1-CG1 4.34Å; T449-I472 WeakPolarHBondContact O-CB 3.45Å; T449-I472 WeakPolarHBondContact O-CG1 3.41Å; T449-I472 PolarHBondContact O-N 2.66Å; F450-I472 HydrophobicContact CD1-CB 4.2Å; F450-I472 HydrophobicContact CD1-CG1 4.19Å; F450-I472 HydrophobicContact CD1-CG2 4.41Å; F450-I472 HydrophobicContact CE1-CG1 4.23Å; G451-I472 PolarHBondContact N-O 2.77Å; V454-I472 HydrophobicContact CG1-CG2 4.33Å; V454-I472 HydrophobicContact CG2-CG2 4.03Å; I462-I472 HydrophobicContact CD1-CD1 4.16Å; I462-I472 HydrophobicContact CD1-CG1 4.19Å; I462-I472 HydrophobicContact CG2-CD1 4.49Å; I470-I472 HydrophobicContact CG2-CD1 3.61Å; I470-I472 HydrophobicContact CG2-CG1 4.29Å; I472-L478 HydrophobicContact CD1-CD1 4.41Å; I472-L478 HydrophobicContact CG2-CD1 4.46Å; I472-V483 HydrophobicContact CD1-CG1 4.42Å
473P96.8Very high96.5Very high58 Ų5866.9 Ų66.938%0.37738%0.375SS..PPolyproline II helixtrans-64.6152.5-173.814-17.9000112.3D471 S476 I489D471-P473 WeakPolarHBondContact O-CD 3.5Å; P473-S476 WeakPolarHBondContact CD-OG 3.43Å; P473-S476 VanDerWaalsContact CG-OG 3.25Å; P473-S476 WeakPolarHBondContact CG-OG 3.41Å; P473-S476 VanDerWaalsContact O-CB 3.26Å; P473-S476 WeakPolarHBondContact O-CB 3.27Å; P473-S476 PolarHBondContact O-N 2.78Å; P473-S476 PolarHBondContact O-OG 3.45Å; P473-I489 HydrophobicContact CB-CD1 3.67Å; P473-I489 HydrophobicContact CG-CD1 4.08Å
474A96.8Very high96.4Very high69 Ų6968.1 Ų68.157%0.5739%0.389SS*.THydrogen-bonded Turntrans-57.5141.217500000111.6K452 S476K452-A474 HydrophobicContact CB-CB 4.41Å; K452-A474 CarbonylContact O-C 3.56Å; K452-A474 WeakPolarHBondContact O-CA 3.37Å; K452-A474 WeakPolarHBondContact O-CB 3.48Å; A474-S476 PolarHBondContact O-N 2.88Å
475G96Very high96.1Very high54 Ų5469.2 Ų69.256%0.55740%0.401SS*.THydrogen-bonded Turntrans75.43.3-178.300000114.9K452 N453 M477K452-G475 PolarHBondContact O-N 2.77Å; N453-G475 WeakPolarHBondContact O-CA 3.4Å; G475-M477 PolarHBondContact O-N 2.88Å
476S97.3Very high96.1Very high24 Ų2468.8 Ų68.817%0.16840%0.399CS..  trans-61.6135.8179-65.70000111.9V454 S455 P473 A474V454-S476 CarbonylContact C-O 3.5Å; V454-S476 VanDerWaalsContact CA-O 3.28Å; V454-S476 WeakPolarHBondContact CA-O 3.37Å; V454-S476 WeakPolarHBondContact CG1-O 3.27Å; S455-S476 PolarHBondContact N-O 3.01Å; P473-S476 WeakPolarHBondContact CD-OG 3.43Å; P473-S476 VanDerWaalsContact CG-OG 3.25Å; P473-S476 WeakPolarHBondContact CG-OG 3.41Å; P473-S476 VanDerWaalsContact O-CB 3.26Å; P473-S476 WeakPolarHBondContact O-CB 3.27Å; P473-S476 PolarHBondContact O-N 2.78Å; P473-S476 PolarHBondContact O-OG 3.45Å; A474-S476 PolarHBondContact O-N 2.88Å
477M97.9Very high96.2Very high125 Ų12563.5 Ų63.562%0.61638%0.377SS*.EExtended strand (participates in β ladder)trans-113.2115.7171.1178.8172.345.400109S455 G475S455-M477 WeakPolarHBondContact O-CA 3.43Å; G475-M477 PolarHBondContact O-N 2.88Å
478L97.9Very high96.3Very high22 Ų2268.4 Ų68.412%0.11538%0.376CS..EExtended strand (participates in β ladder)trans-110.9111.8178.9-58.5179.6000109.2S455 L456 K457 V460 I462 I472 V483S455-L478 PolarHBondContact O-N 2.98Å; L456-L478 WeakPolarHBondContact CA-O 3.26Å; L456-L478 HydrophobicContact CD2-CB 4.03Å; L456-L478 HydrophobicContact CD2-CD1 4Å; L456-L478 HydrophobicContact CD2-CG 4.34Å; K457-L478 PolarHBondContact N-O 2.91Å; V460-L478 HydrophobicContact CG1-CB 4.05Å; V460-L478 HydrophobicContact CG1-CD1 4Å; V460-L478 HydrophobicContact CG2-CB 4.05Å; V460-L478 VanDerWaalsContact CG2-O 3.31Å; V460-L478 WeakPolarHBondContact CG2-O 3.36Å; I462-L478 HydrophobicContact CD1-CD1 3.9Å; I472-L478 HydrophobicContact CD1-CD1 4.41Å; I472-L478 HydrophobicContact CG2-CD1 4.46Å; L478-V483 HydrophobicContact CD1-CG2 4.31Å; L478-V483 HydrophobicContact CD2-CG2 4.13Å
479E98.1Very high96.1Very high97 Ų9770.2 Ų70.245%0.45339%0.385SS..EExtended strand (participates in β ladder)trans-125.5117.2179.6-178.5176.4-175.300110.7K457 K481K457-E479 HydrophobicContact CB-CB 3.91Å; K457-E479 HydrophobicContact CB-CG 3.78Å; K457-E479 WeakPolarHBondContact O-CA 3.32Å; E479-K481 VanDerWaalsContact C-N 3.29Å; E479-K481 WeakPolarHBondContact O-CG 3.31Å; E479-K481 PolarHBondContact O-N 2.9Å
480N97.6Very high95.9Very high98 Ų9873.4 Ų73.452%0.52441%0.407SS..EExtended strand (participates in β ladder)trans53.144.7178.2-63.5-50.4000113K457 G458 T459K457-N480 PolarHBondContact O-N 3.02Å; K457-N480 VanDerWaalsContact O-N 3.16Å; G458-N480 WeakPolarHBondContact CA-OD1 3.47Å; T459-N480 PolarHBondContact N-OD1 2.89Å; T459-N480 CarbonylContact O-C 3.56Å; T459-N480 WeakPolarHBondContact O-CA 3.43Å
481K96.7Very high95.4Very high124 Ų12481.4 Ų81.454%0.53945%0.45SS..EExtended strand (participates in β ladder)trans-120.7146.9-176.4-63.2-53.3177.2-178.20113T459 V460 I461 E479 V483T459-K481 PolarHBondContact O-N 3.29Å; T459-K481 VanDerWaalsContact O-N 3.13Å; V460-K481 WeakPolarHBondContact CA-O 3.35Å; I461-K481 PolarHBondContact N-O 2.78Å; E479-K481 VanDerWaalsContact C-N 3.29Å; E479-K481 WeakPolarHBondContact O-CG 3.31Å; E479-K481 PolarHBondContact O-N 2.9Å; K481-V483 HydrophobicContact CB-CG2 4.49Å
482I96.8Very high94.3Very high119 Ų11993 Ų9361%0.6150%0.503SS*.EExtended strand (participates in β ladder)trans-106.3120.7162.6-53.5-178.2000107I461I461-I482 HydrophobicContact CB-CG1 4.18Å; I461-I482 HydrophobicContact CB-CG2 4.23Å; I461-I482 HydrophobicContact CD1-CD1 4.38Å; I461-I482 HydrophobicContact CD1-CG1 4.38Å; I461-I482 HydrophobicContact CG2-CG2 4.36Å; I461-I482 CarbonylContact O-C 3.59Å; I461-I482 VanDerWaalsContact O-CA 3.27Å; I461-I482 WeakPolarHBondContact O-CA 3.3Å
483V95.9Very high94.1Very high40 Ų4097.1 Ų97.124%0.24253%0.526CS..EExtended strand (participates in β ladder)trans-110.2122.3177.8-177.30000108.1I461 I462 I463 I472 L478 K481I461-V483 PolarHBondContact O-N 3.17Å; I462-V483 CarbonylContact C-O 3.57Å; I462-V483 VanDerWaalsContact CA-O 3.29Å; I462-V483 WeakPolarHBondContact CA-O 3.36Å; I462-V483 HydrophobicContact CG1-CB 4.35Å; I462-V483 HydrophobicContact CG2-CB 4.34Å; I463-V483 PolarHBondContact N-O 3.43Å; I472-V483 HydrophobicContact CD1-CG1 4.42Å; L478-V483 HydrophobicContact CD1-CG2 4.31Å; L478-V483 HydrophobicContact CD2-CG2 4.13Å; K481-V483 HydrophobicContact CB-CG2 4.49Å
484S95.3Very high94Very high87 Ų8799.2 Ų99.261%0.60853%0.534SS*.EExtended strand (participates in β ladder)trans-142.3154.1174.860.90000110.8I463I463-S484 VanDerWaalsContact O-CA 3.31Å; I463-S484 WeakPolarHBondContact O-CA 3.31Å
485G92.1Very high93.8Very high28 Ų28100.8 Ų100.829%0.28953%0.532SS..SBendtrans134.3-154178.900000112.7I470I470-G485 WeakPolarHBondContact CD1-O 3.29Å; I470-G485 VanDerWaalsContact CG1-O 3.26Å; I470-G485 WeakPolarHBondContact CG1-O 3.26Å
486N94.8Very high93.7Very high89 Ų89103.6 Ų103.648%0.47653%0.53SS..  trans-135.8115.7-178.9-169.3-12.6000108.8D468 R469D468-N486 HydrophobicContact CB-CB 3.89Å; D468-N486 PolarHBondContact OD1-ND2 2.83Å; R469-N486 PolarHBondContact N-OD1 2.65Å; R469-N486 CarbonylContact O-C 3.38Å; R469-N486 WeakPolarHBondContact O-CA 3.39Å; R469-N486 PolarHBondContact O-OD1 2.93Å
487L94.3Very high93.5Very high88 Ų88108.6 Ų108.646%0.46155%0.553SS.*BIsolated β-bridgetrans-141.6119.5-178.1179.766.5000108.8R469 I470 D471R469-L487 CarbonylContact O-C 3.51Å; R469-L487 PolarHBondContact O-N 2.87Å; R469-L487 VanDerWaalsContact O-O 3.08Å; I470-L487 CarbonylContact C-O 3.52Å; I470-L487 WeakPolarHBondContact CA-O 3.49Å; D471-L487 PolarHBondContact N-O 2.99Å
488R93.4Very high93.2Very high164 Ų164107.5 Ų107.562%0.61955%0.549SS*.  trans-112.7129.3172.8-67.2-171.3-178.3-173.80110.4R469 D471R469-R488 HydrophobicContact CB-CG 4.44Å; D471-R488 VanDerWaalsContact OD2-CA 3.31Å; D471-R488 WeakPolarHBondContact OD2-CA 3.48Å
489I91.9Very high92.9Very high82 Ų82113.6 Ų113.642%0.42158%0.58SS.*  trans-106.8124.7174.3-60.2174.3000107.2D471 P473D471-I489 HydrophobicContact CB-CB 4.08Å; D471-I489 HydrophobicContact CB-CD1 4.1Å; D471-I489 HydrophobicContact CB-CG1 3.98Å; D471-I489 WeakPolarHBondContact O-CD1 3.44Å; D471-I489 PolarHBondContact OD2-N 3.16Å; P473-I489 HydrophobicContact CB-CD1 3.67Å; P473-I489 HydrophobicContact CG-CD1 4.08Å
490L90.3Very high92.5Very high150 Ų150114.8 Ų114.879%0.78559%0.589SS**  trans-117.9144-178.1-60.1176.1000109.7
491D87.3Confident92Very high172 Ų172116.3 Ų116.392%0.9260%0.595SS**  trans-64.9134.6170.7-63.6-30.9000109.4
492H75.8Confident91.6Very high252 Ų252115.5 Ų115.5100%1.16760%0.6SS**  trans-96.80177.7178.8-59.7000111.3

Retrieved 492 of 492 residues in 832.1 ms (Link to these results)

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