A0A096MP46_PAPAN Loading...

Amino acid transporter

AlphaFold DB , UniProt , Accession A0A096MP46, Species PAPAN (Papio anubis, Olive baboon), Gene SLC1A7, Length 619 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
1M60.6Low69.1Low211 Ų211119.6 Ų119.6100%1.03961%0.613SS**  0-50.40-97.5-178.3-87.400113.5L3 H4 A5M1-L3 PolarHBondContact O-N 3.13Å; M1-H4 PolarHBondContact O-N 3.44Å; M1-A5 WeakPolarHBondContact O-CB 3.38Å; M1-A5 PolarHBondContact O-N 3.28Å
2V69.4Low68.9Low111 Ų111115.3 Ų115.367%0.67359%0.593SS**Hα-helixtrans-61.4-45-177.11790000113.5H4 A5 I6V2-H4 PolarHBondContact O-N 2.82Å; V2-A5 PolarHBondContact O-N 3.28Å; V2-I6 HydrophobicContact CG1-CD1 3.67Å; V2-I6 HydrophobicContact CG1-CG1 4.33Å; V2-I6 WeakPolarHBondContact O-CB 3.21Å; V2-I6 VanDerWaalsContact O-CG1 3.24Å; V2-I6 WeakPolarHBondContact O-CG1 2.87Å; V2-I6 PolarHBondContact O-N 3.48Å
3L69.1Low68.6Low126 Ų126112.2 Ų112.266%0.6658%0.581SS**Hα-helixtrans-63.7-40.2178-172.466.4000112.8M1 I6 L7M1-L3 PolarHBondContact O-N 3.13Å; L3-I6 PolarHBondContact O-N 3.21Å; L3-L7 HydrophobicContact CG-CD1 4.07Å; L3-L7 WeakPolarHBondContact O-CB 3.33Å; L3-L7 VanDerWaalsContact O-CG 3.29Å; L3-L7 WeakPolarHBondContact O-CG 3.5Å; L3-L7 PolarHBondContact O-N 3.36Å
4H72.5Confident68.2Low151 Ų151108.9 Ų108.970%0.69957%0.572SS**Hα-helixtrans-66.3-37.4174.9-102.9-82.2000112.2M1 V2 A8M1-H4 PolarHBondContact O-N 3.44Å; V2-H4 PolarHBondContact O-N 2.82Å; H4-A8 WeakPolarHBondContact O-CB 3.24Å; H4-A8 PolarHBondContact O-N 3.17Å
5A66.6Low68Low59 Ų59115.3 Ų115.349%0.48859%0.586SS.*Hα-helixtrans-68.3-39.3174.600000111.7M1 V2 A8 R9M1-A5 WeakPolarHBondContact O-CB 3.38Å; M1-A5 PolarHBondContact O-N 3.28Å; V2-A5 PolarHBondContact O-N 3.28Å; A5-A8 PolarHBondContact O-N 2.94Å; A5-R9 WeakPolarHBondContact O-CB 3.48Å; A5-R9 PolarHBondContact O-N 3.01Å
6I68.9Low67.2Low101 Ų101118.1 Ų118.152%0.51859%0.587SS.*Hα-helixtrans-66.5-45.4175.2-69168.3000110.8V2 L3 R9 G10V2-I6 HydrophobicContact CG1-CD1 3.67Å; V2-I6 HydrophobicContact CG1-CG1 4.33Å; V2-I6 WeakPolarHBondContact O-CB 3.21Å; V2-I6 VanDerWaalsContact O-CG1 3.24Å; V2-I6 WeakPolarHBondContact O-CG1 2.87Å; V2-I6 PolarHBondContact O-N 3.48Å; L3-I6 PolarHBondContact O-N 3.21Å; I6-R9 PolarHBondContact O-N 2.93Å; I6-G10 PolarHBondContact O-N 3.38Å
7L71.2Confident66.9Low104 Ų104113.1 Ų113.155%0.54556%0.563SS.*Hα-helixtrans-65.9-37.9176.2-74.2168.6000111.9L3 G10 R11L3-L7 HydrophobicContact CG-CD1 4.07Å; L3-L7 WeakPolarHBondContact O-CB 3.33Å; L3-L7 VanDerWaalsContact O-CG 3.29Å; L3-L7 WeakPolarHBondContact O-CG 3.5Å; L3-L7 PolarHBondContact O-N 3.36Å; L7-G10 PolarHBondContact O-N 2.81Å; L7-R11 VanDerWaalsContact O-CB 3.29Å; L7-R11 WeakPolarHBondContact O-CB 3.29Å; L7-R11 PolarHBondContact O-N 3.25Å
8A70.4Confident66.8Low33 Ų33107.8 Ų107.827%0.27354%0.542SS..Hα-helixtrans-65-45.5173.900000111.6H4 A5 G10 R11 D12H4-A8 WeakPolarHBondContact O-CB 3.24Å; H4-A8 PolarHBondContact O-N 3.17Å; A5-A8 PolarHBondContact O-N 2.94Å; A8-G10 VanDerWaalsContact C-N 3.34Å; A8-G10 PolarHBondContact O-N 2.91Å; A8-R11 PolarHBondContact O-N 2.97Å; A8-D12 PolarHBondContact O-N 3.43Å
9R68.8Low66.5Low200 Ų200103.4 Ų103.476%0.75552%0.52SS*.Hα-helixtrans-60.6-43.4172.8-118.7178.1178.1-174.3-0.1111.6A5 I6 D12 V13A5-R9 WeakPolarHBondContact O-CB 3.48Å; A5-R9 PolarHBondContact O-N 3.01Å; I6-R9 PolarHBondContact O-N 2.93Å; R9-D12 PolarHBondContact O-N 2.98Å; R9-V13 WeakPolarHBondContact O-CB 3.06Å; R9-V13 WeakPolarHBondContact O-CG2 3.46Å; R9-V13 PolarHBondContact O-N 3.48Å
10G68.8Low66.3Low41 Ų41100.5 Ų100.542%0.42351%0.505SS..Hα-helixtrans-61.4-45.7177.900000111.9I6 L7 A8 V13 C14I6-G10 PolarHBondContact O-N 3.38Å; L7-G10 PolarHBondContact O-N 2.81Å; A8-G10 VanDerWaalsContact C-N 3.34Å; A8-G10 PolarHBondContact O-N 2.91Å; G10-V13 PolarHBondContact O-N 3.46Å; G10-C14 VanDerWaalsContact O-CB 3.3Å; G10-C14 WeakPolarHBondContact O-CB 3.16Å; G10-C14 PolarHBondContact O-N 2.96Å
11R73.8Confident66.4Low179 Ų17998.2 Ų98.268%0.67549%0.494SS*.Hα-helixtrans-63.5-40.3175.2-178.7173.351.2176.2-5.4112.4L7 A8 C14 R15L7-R11 VanDerWaalsContact O-CB 3.29Å; L7-R11 WeakPolarHBondContact O-CB 3.29Å; L7-R11 PolarHBondContact O-N 3.25Å; A8-R11 PolarHBondContact O-N 2.97Å; R11-C14 PolarHBondContact O-N 3.07Å; R11-R15 VanDerWaalsContact O-CB 3.31Å; R11-R15 WeakPolarHBondContact O-CB 3.45Å; R11-R15 PolarHBondContact O-N 3.08Å
12D67Low67.2Low68 Ų6891.9 Ų91.936%0.36446%0.464SS..Hα-helixtrans-67.5-39.1175.6-84.1-23.1000112.6A8 R9 R15 R16A8-D12 PolarHBondContact O-N 3.43Å; R9-D12 PolarHBondContact O-N 2.98Å; D12-R15 PolarHBondContact O-N 3.47Å; D12-R16 WeakPolarHBondContact O-CB 3.35Å; D12-R16 VanDerWaalsContact O-CG 3.26Å; D12-R16 WeakPolarHBondContact O-CG 3.38Å; D12-R16 PolarHBondContact O-N 3.49Å; D12-R16 VanDerWaalsContact O-N 3.12Å
13V64.3Low67.2Low74 Ų7487.6 Ų87.645%0.44844%0.439SS..Hα-helixtrans-64.3-45.2173.4170.20000110.4R9 G10 R15 R16 N17R9-V13 WeakPolarHBondContact O-CB 3.06Å; R9-V13 WeakPolarHBondContact O-CG2 3.46Å; R9-V13 PolarHBondContact O-N 3.48Å; G10-V13 PolarHBondContact O-N 3.46Å; V13-R15 VanDerWaalsContact C-N 3.33Å; V13-R15 PolarHBondContact O-N 3.21Å; V13-R16 PolarHBondContact O-N 3.46Å; V13-N17 PolarHBondContact O-N 2.98Å; V13-N17 PolarHBondContact O-ND2 3.35Å
14C63.2Low67.5Low67 Ų6783.5 Ų83.545%0.45342%0.419SS..Hα-helixtrans-64.8-37.2178.8-153.60000111.8G10 R11 R16 G18G10-C14 VanDerWaalsContact O-CB 3.3Å; G10-C14 WeakPolarHBondContact O-CB 3.16Å; G10-C14 PolarHBondContact O-N 2.96Å; R11-C14 PolarHBondContact O-N 3.07Å; C14-R16 VanDerWaalsContact C-N 3.33Å; C14-R16 PolarHBondContact O-N 3.22Å; C14-G18 WeakPolarHBondContact O-CA 3.44Å; C14-G18 PolarHBondContact O-N 2.86Å
15R64.7Low68Low205 Ų20580.6 Ų80.677%0.77441%0.409SS*.Hα-helixtrans-69.7-29.3176.4-161.3177.9116.9-164.56112.9R11 D12 V13R11-R15 VanDerWaalsContact O-CB 3.31Å; R11-R15 WeakPolarHBondContact O-CB 3.45Å; R11-R15 PolarHBondContact O-N 3.08Å; D12-R15 PolarHBondContact O-N 3.47Å; V13-R15 VanDerWaalsContact C-N 3.33Å; V13-R15 PolarHBondContact O-N 3.21Å
16R55.3Low68.9Low160 Ų16078.5 Ų78.560%0.60439%0.39SS*.Hα-helixtrans-87.4-32.8-179.6-70174.4-171.8-173.33.9113.5D12 V13 C14D12-R16 WeakPolarHBondContact O-CB 3.35Å; D12-R16 VanDerWaalsContact O-CG 3.26Å; D12-R16 WeakPolarHBondContact O-CG 3.38Å; D12-R16 PolarHBondContact O-N 3.49Å; D12-R16 VanDerWaalsContact O-N 3.12Å; V13-R16 PolarHBondContact O-N 3.46Å; C14-R16 VanDerWaalsContact C-N 3.33Å; C14-R16 PolarHBondContact O-N 3.22Å
17N62Low69.5Low33 Ų3374.6 Ų74.618%0.17637%0.371CS..Hα-helixtrans-117.916.4-174.1-57.5-49.6000113.3V13 L19 L20 I21 S343V13-N17 PolarHBondContact O-N 2.98Å; V13-N17 PolarHBondContact O-ND2 3.35Å; N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 3.45Å; N17-L20 PolarHBondContact O-N 2.86Å; N17-L20 VanDerWaalsContact O-N 3.09Å; N17-I21 HydrophobicContact CB-CD1 3.91Å; N17-I21 HydrophobicContact CB-CG1 4.24Å; N17-I21 WeakPolarHBondContact O-CG1 3.49Å; N17-I21 PolarHBondContact O-N 3.5Å; N17-S343 PolarHBondContact OD1-O 3.03Å; N17-S343 PolarHBondContact OD1-OG 3.45Å
18G65.7Low70.2Confident18 Ų1873.8 Ų73.819%0.18637%0.367CS..Hα-helixtrans-52.3-45.5-168.800000114.1C14 L20 I21 L22C14-G18 WeakPolarHBondContact O-CA 3.44Å; C14-G18 PolarHBondContact O-N 2.86Å; G18-L20 PolarHBondContact O-N 2.84Å; G18-I21 PolarHBondContact O-N 3.24Å; G18-L22 VanDerWaalsContact O-CB 3.29Å; G18-L22 WeakPolarHBondContact O-CB 3.35Å; G18-L22 WeakPolarHBondContact O-CD1 3.43Å; G18-L22 WeakPolarHBondContact O-CG 3.16Å; G18-L22 PolarHBondContact O-N 2.81Å
19L61.9Low71.2Confident24 Ų2475.7 Ų75.713%0.12638%0.375CS..Hα-helixtrans-63.7-42.8-179.7-174.870.9000112.8N17 L22 S23 V265 W266 P269N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 3.45Å; L19-L22 PolarHBondContact O-N 3.42Å; L19-S23 PolarHBondContact O-N 3.31Å; L19-S23 PolarHBondContact O-OG 3.35Å; L19-S23 VanDerWaalsContact O-OG 3.06Å; L19-V265 HydrophobicContact CD1-CG1 4.38Å; L19-V265 WeakPolarHBondContact CD1-O 3.26Å; L19-V265 HydrophobicContact CD2-CG1 3.34Å; L19-V265 HydrophobicContact CG-CG1 4.46Å; L19-W266 HydrophobicContact CD1-CE3 4.47Å; L19-P269 HydrophobicContact CD1-CG 3.76Å
20L61.4Low72.2Confident44 Ų4466.2 Ų66.223%0.2334%0.339CS..Hα-helixtrans-68.4-42.1-179.9-176.9144.2000111N17 G18 L22 S23 V24N17-L20 PolarHBondContact O-N 2.86Å; N17-L20 VanDerWaalsContact O-N 3.09Å; G18-L20 PolarHBondContact O-N 2.84Å; L20-L22 VanDerWaalsContact C-N 3.32Å; L20-S23 PolarHBondContact O-N 2.98Å; L20-V24 HydrophobicContact CD2-CG2 4.26Å; L20-V24 WeakPolarHBondContact O-CG2 3.21Å; L20-V24 PolarHBondContact O-N 2.88Å
21I69.8Low73.1Confident53 Ų5366.1 Ų66.127%0.27233%0.331SS..Hα-helixtrans-60.9-45.6175.8-66167.8000109.7N17 G18 V24 L25N17-I21 HydrophobicContact CB-CD1 3.91Å; N17-I21 HydrophobicContact CB-CG1 4.24Å; N17-I21 WeakPolarHBondContact O-CG1 3.49Å; N17-I21 PolarHBondContact O-N 3.5Å; G18-I21 PolarHBondContact O-N 3.24Å; I21-V24 PolarHBondContact O-N 3.01Å; I21-L25 HydrophobicContact CG2-CD1 3.75Å; I21-L25 HydrophobicContact CG2-CG 4.31Å; I21-L25 WeakPolarHBondContact O-CB 3.43Å; I21-L25 VanDerWaalsContact O-CG 3.23Å; I21-L25 WeakPolarHBondContact O-CG 3.29Å; I21-L25 PolarHBondContact O-N 2.91Å
22L75.8Confident74Confident78 Ų7863.2 Ų63.241%0.40833%0.328SS..Hα-helixtrans-59-47.6175.4-75.4166000111.3G18 L19 L20 V24 L25 S26 W266 P269G18-L22 VanDerWaalsContact O-CB 3.29Å; G18-L22 WeakPolarHBondContact O-CB 3.35Å; G18-L22 WeakPolarHBondContact O-CD1 3.43Å; G18-L22 WeakPolarHBondContact O-CG 3.16Å; G18-L22 PolarHBondContact O-N 2.81Å; L19-L22 PolarHBondContact O-N 3.42Å; L20-L22 VanDerWaalsContact C-N 3.32Å; L22-V24 PolarHBondContact O-N 3.17Å; L22-L25 PolarHBondContact O-N 3.33Å; L22-S26 VanDerWaalsContact O-CB 3.3Å; L22-S26 WeakPolarHBondContact O-CB 3.49Å; L22-S26 PolarHBondContact O-N 2.93Å; L22-S26 PolarHBondContact O-OG 3.06Å; L22-W266 HydrophobicContact CD1-CZ3 4.44Å; L22-P269 HydrophobicContact CB-CB 4Å; L22-P269 HydrophobicContact CB-CG 4.01Å
23S70.3Confident75.2Confident21 Ų2162.5 Ų62.515%0.14732%0.324CS..Hα-helixtrans-62.2-42.3178.9-61.30000113L19 L20 S26 V27L19-S23 PolarHBondContact O-N 3.31Å; L19-S23 PolarHBondContact O-OG 3.35Å; L19-S23 VanDerWaalsContact O-OG 3.06Å; L20-S23 PolarHBondContact O-N 2.98Å; S23-S26 WeakPolarHBondContact O-CB 3.45Å; S23-S26 PolarHBondContact O-N 3.45Å; S23-V27 WeakPolarHBondContact O-CG2 3.49Å; S23-V27 PolarHBondContact O-N 3.28Å
24V75.8Confident76.4Confident40 Ų4059 Ų5924%0.24230%0.303CS..Hα-helixtrans-66.3-44177.2172.90000110.9L20 I21 L22 S26 V27 I28 W511L20-V24 HydrophobicContact CD2-CG2 4.26Å; L20-V24 WeakPolarHBondContact O-CG2 3.21Å; L20-V24 PolarHBondContact O-N 2.88Å; I21-V24 PolarHBondContact O-N 3.01Å; L22-V24 PolarHBondContact O-N 3.17Å; V24-S26 VanDerWaalsContact C-N 3.3Å; V24-S26 PolarHBondContact O-N 3.36Å; V24-V27 PolarHBondContact O-N 3.26Å; V24-I28 HydrophobicContact CG1-CD1 4.07Å; V24-I28 WeakPolarHBondContact O-CG1 3.46Å; V24-I28 PolarHBondContact O-N 2.94Å; V24-I28 VanDerWaalsContact O-N 3.1Å; V24-W511 HydrophobicContact CG2-CD2 4.47Å
25L83.3Confident77.7Confident91 Ų9160.9 Ų60.948%0.47630%0.304SS..Hα-helixtrans-60.6-41.3174.4-72.6172.1000111.2I21 L22 V27 I28 V29I21-L25 HydrophobicContact CG2-CD1 3.75Å; I21-L25 HydrophobicContact CG2-CG 4.31Å; I21-L25 WeakPolarHBondContact O-CB 3.43Å; I21-L25 VanDerWaalsContact O-CG 3.23Å; I21-L25 WeakPolarHBondContact O-CG 3.29Å; I21-L25 PolarHBondContact O-N 2.91Å; L22-L25 PolarHBondContact O-N 3.33Å; L25-V27 PolarHBondContact O-N 3.1Å; L25-I28 PolarHBondContact O-N 3.42Å; L25-V29 WeakPolarHBondContact O-CB 3.19Å; L25-V29 VanDerWaalsContact O-CG2 3.24Å; L25-V29 WeakPolarHBondContact O-CG2 3.36Å; L25-V29 PolarHBondContact O-N 3.3Å
26S84.7Confident79Confident14 Ų1456.6 Ų56.610%0.09829%0.291CS..Hα-helixtrans-61.7-39.5176.4-72.70000113.1L22 S23 V24 G30 P269 V273L22-S26 VanDerWaalsContact O-CB 3.3Å; L22-S26 WeakPolarHBondContact O-CB 3.49Å; L22-S26 PolarHBondContact O-N 2.93Å; L22-S26 PolarHBondContact O-OG 3.06Å; S23-S26 WeakPolarHBondContact O-CB 3.45Å; S23-S26 PolarHBondContact O-N 3.45Å; V24-S26 VanDerWaalsContact C-N 3.3Å; V24-S26 PolarHBondContact O-N 3.36Å; S26-G30 PolarHBondContact O-N 2.77Å; S26-P269 WeakPolarHBondContact CB-O 3.49Å; S26-P269 VanDerWaalsContact OG-C 3.26Å; S26-P269 WeakPolarHBondContact OG-CB 3.38Å; S26-P269 PolarHBondContact OG-O 2.94Å; S26-V273 WeakPolarHBondContact O-CG2 3.28Å
27V81.3Confident80.7Confident20 Ų2050.4 Ų50.412%0.12127%0.27CS..Hα-helixtrans-63.6-47.2173.9172.20000110.5S23 V24 L25 G30 C31 I272 I276 A508S23-V27 WeakPolarHBondContact O-CG2 3.49Å; S23-V27 PolarHBondContact O-N 3.28Å; V24-V27 PolarHBondContact O-N 3.26Å; L25-V27 PolarHBondContact O-N 3.1Å; V27-G30 PolarHBondContact O-N 3.15Å; V27-C31 WeakPolarHBondContact O-CB 3.39Å; V27-C31 PolarHBondContact O-N 3.49Å; V27-C31 PolarHBondContact O-SG 2.87Å; V27-I272 HydrophobicContact CG2-CG2 3.95Å; V27-I276 HydrophobicContact CB-CD1 4.14Å; V27-I276 HydrophobicContact CG1-CD1 3.97Å; V27-I276 HydrophobicContact CG2-CD1 3.81Å; V27-A508 HydrophobicContact CG1-CB 4.24Å
28I86.2Confident81.9Confident87 Ų8752.3 Ų52.345%0.44627%0.274SS..Hα-helixtrans-61.8-48.1179.4-64.5166.3000110.4V24 L25 C31 L32V24-I28 HydrophobicContact CG1-CD1 4.07Å; V24-I28 WeakPolarHBondContact O-CG1 3.46Å; V24-I28 PolarHBondContact O-N 2.94Å; V24-I28 VanDerWaalsContact O-N 3.1Å; L25-I28 PolarHBondContact O-N 3.42Å; I28-C31 PolarHBondContact O-N 2.92Å; I28-L32 HydrophobicContact CG2-CD1 3.97Å; I28-L32 HydrophobicContact CG2-CG 4.45Å; I28-L32 VanDerWaalsContact O-CG 3.3Å; I28-L32 WeakPolarHBondContact O-CG 3.29Å; I28-L32 PolarHBondContact O-N 3.32Å
29V91.9Very high83Confident73 Ų7355.9 Ų55.944%0.44229%0.293SS..Hα-helixtrans-63.9-42.6179170.50000111L25 L32 L33 V273L25-V29 WeakPolarHBondContact O-CB 3.19Å; L25-V29 VanDerWaalsContact O-CG2 3.24Å; L25-V29 WeakPolarHBondContact O-CG2 3.36Å; L25-V29 PolarHBondContact O-N 3.3Å; V29-L32 PolarHBondContact O-N 2.76Å; V29-L33 WeakPolarHBondContact O-CB 3.31Å; V29-L33 PolarHBondContact O-N 3.44Å; V29-V273 HydrophobicContact CG1-CG1 4.11Å; V29-V273 HydrophobicContact CG1-CG2 4.48Å
30G89.9Confident84.3Confident0 Ų063 Ų630%032%0.318CS..Hα-helixtrans-60.6-44.4175.100000112.4S26 V27 G34 A277S26-G30 PolarHBondContact O-N 2.77Å; V27-G30 PolarHBondContact O-N 3.15Å; G30-G34 PolarHBondContact O-N 3.27Å; G30-A277 WeakPolarHBondContact O-CA 3.45Å; G30-A277 WeakPolarHBondContact O-CB 3.17Å
31C87.1Confident85.4Confident39 Ų3969.2 Ų69.226%0.26435%0.345SS..Hα-helixtrans-61.4-50.6174.8-72.70000111.9V27 I28 L33 G34 F35 I280V27-C31 WeakPolarHBondContact O-CB 3.39Å; V27-C31 PolarHBondContact O-N 3.49Å; V27-C31 PolarHBondContact O-SG 2.87Å; I28-C31 PolarHBondContact O-N 2.92Å; C31-L33 PolarHBondContact O-N 3.41Å; C31-G34 PolarHBondContact O-N 3.36Å; C31-F35 WeakPolarHBondContact O-CD2 3.13Å; C31-F35 PolarHBondContact O-N 3.24Å; C31-I280 HydrophobicContact CB-CD1 4.37Å
32L91.8Very high86.3Confident118 Ų11869.2 Ų69.262%0.61835%0.346SS*.Hα-helixtrans-61.2-44.3179.8-69.5174.1000111.7I28 V29 F36I28-L32 HydrophobicContact CG2-CD1 3.97Å; I28-L32 HydrophobicContact CG2-CG 4.45Å; I28-L32 VanDerWaalsContact O-CG 3.3Å; I28-L32 WeakPolarHBondContact O-CG 3.29Å; I28-L32 PolarHBondContact O-N 3.32Å; V29-L32 PolarHBondContact O-N 2.76Å; L32-F36 VanDerWaalsContact O-CB 3.28Å; L32-F36 WeakPolarHBondContact O-CB 3.48Å; L32-F36 PolarHBondContact O-N 3.32Å
33L93.2Very high87Confident54 Ų5467.8 Ų67.828%0.28334%0.342SS..Hα-helixtrans-65.7-42.2178.3-176.460.4000111.6V29 C31 F36 L37 F50 V273 A277V29-L33 WeakPolarHBondContact O-CB 3.31Å; V29-L33 PolarHBondContact O-N 3.44Å; C31-L33 PolarHBondContact O-N 3.41Å; L33-F36 PolarHBondContact O-N 3.38Å; L33-L37 HydrophobicContact CD1-CD1 3.92Å; L33-L37 HydrophobicContact CD1-CG 4Å; L33-L37 HydrophobicContact CG-CD1 3.84Å; L33-L37 HydrophobicContact CG-CG 4.32Å; L33-L37 WeakPolarHBondContact O-CB 3.44Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.13Å; L33-L37 PolarHBondContact O-N 3.45Å; L33-F50 HydrophobicContact CD2-CE2 4.25Å; L33-F50 HydrophobicContact CD2-CZ 3.77Å; L33-F50 HydrophobicContact CG-CZ 4.16Å; L33-V273 HydrophobicContact CD2-CG1 4.1Å; L33-A277 HydrophobicContact CB-CB 4.38Å; L33-A277 HydrophobicContact CG-CB 4.4Å
34G89.8Confident87.8Confident0 Ų072.1 Ų72.10%037%0.37CS..Hα-helixtrans-60.8-49176.200000112.4G30 C31 F36 L37 R38G30-G34 PolarHBondContact O-N 3.27Å; C31-G34 PolarHBondContact O-N 3.36Å; G34-F36 VanDerWaalsContact C-N 3.33Å; G34-F36 PolarHBondContact O-N 2.86Å; G34-L37 PolarHBondContact O-N 3.43Å; G34-R38 WeakPolarHBondContact O-CB 3.39Å; G34-R38 PolarHBondContact O-N 3.47Å
35F90.3Very high88.5Confident106 Ų10676 Ų7647%0.46539%0.386SS..Hα-helixtrans-63.6-38.2176.1-78.2-64.3000112.5C31 I280 P286C31-F35 WeakPolarHBondContact O-CD2 3.13Å; C31-F35 PolarHBondContact O-N 3.24Å; F35-I280 HydrophobicContact CD1-CG2 4.33Å; F35-I280 HydrophobicContact CE1-CG2 4.41Å; F35-I280 HydrophobicContact CE2-CD1 4.41Å; F35-P286 HydrophobicContact CE1-CB 3.68Å; F35-P286 HydrophobicContact CE1-CG 4Å; F35-P286 HydrophobicContact CZ-CB 3.93Å
36F92.6Very high88.8Confident116 Ų11676.3 Ų76.351%0.50938%0.384SS..Hα-helixtrans-64.5-50.7175.9176.5-102.5000111.8L32 L33 G34 R38 T39L32-F36 VanDerWaalsContact O-CB 3.28Å; L32-F36 WeakPolarHBondContact O-CB 3.48Å; L32-F36 PolarHBondContact O-N 3.32Å; L33-F36 PolarHBondContact O-N 3.38Å; G34-F36 VanDerWaalsContact C-N 3.33Å; G34-F36 PolarHBondContact O-N 2.86Å; F36-R38 PolarHBondContact O-N 2.95Å; F36-T39 WeakPolarHBondContact O-CB 3.32Å; F36-T39 PolarHBondContact O-N 3.32Å; F36-T39 VanDerWaalsContact O-N 3.14Å; F36-T39 PolarHBondContact O-OG1 3.46Å
37L91Very high89Confident29 Ų2976.8 Ų76.815%0.15239%0.386CS..Hα-helixtrans-65-28.7-179.7-72.1174.9000112.5L33 G34 T39 R40 L42 F50 L281L33-L37 HydrophobicContact CD1-CD1 3.92Å; L33-L37 HydrophobicContact CD1-CG 4Å; L33-L37 HydrophobicContact CG-CD1 3.84Å; L33-L37 HydrophobicContact CG-CG 4.32Å; L33-L37 WeakPolarHBondContact O-CB 3.44Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.13Å; L33-L37 PolarHBondContact O-N 3.45Å; G34-L37 PolarHBondContact O-N 3.43Å; L37-T39 PolarHBondContact O-N 3.4Å; L37-R40 WeakPolarHBondContact O-CB 3.42Å; L37-R40 PolarHBondContact O-N 2.97Å; L37-L42 HydrophobicContact CB-CD1 3.91Å; L37-L42 HydrophobicContact CD2-CD1 4.3Å; L37-F50 HydrophobicContact CD1-CD1 4.34Å; L37-F50 HydrophobicContact CD1-CD2 4.11Å; L37-F50 HydrophobicContact CD1-CE1 3.75Å; L37-F50 HydrophobicContact CD1-CE2 3.48Å; L37-F50 VanDerWaalsContact CD1-CE2 3.48Å; L37-F50 HydrophobicContact CD1-CZ 3.27Å; L37-L281 HydrophobicContact CB-CD1 4.08Å; L37-L281 HydrophobicContact CB-CD2 3.8Å; L37-L281 HydrophobicContact CB-CG 4.44Å; L37-L281 HydrophobicContact CD1-CD1 4.31Å
38R86.3Confident89.2Confident73 Ų7378.8 Ų78.828%0.27540%0.4SS..Hα-helixtrans-59.2-34.2175-166.9-172.9-175.490.66.5112.1G34 F36 R40 H41 I280 L281 M283 D284G34-R38 WeakPolarHBondContact O-CB 3.39Å; G34-R38 PolarHBondContact O-N 3.47Å; F36-R38 PolarHBondContact O-N 2.95Å; R38-R40 PolarHBondContact O-N 3.39Å; R38-R40 VanDerWaalsContact O-N 3.15Å; R38-H41 PolarHBondContact O-N 3.39Å; R38-I280 PolarHBondContact NH1-O 2.79Å; R38-L281 VanDerWaalsContact CA-CD2 3.49Å; R38-L281 HydrophobicContact CB-CD2 3.94Å; R38-L281 VanDerWaalsContact N-CD2 3.26Å; R38-M283 PolarHBondContact NH1-O 2.91Å; R38-M283 PolarHBondContact NH2-O 2.91Å; R38-D284 VanDerWaalsContact NH2-C 3.3Å; R38-D284 PolarHBondContact NH2-O 3Å
39T88.9Confident89.6Confident94 Ų9482.1 Ų82.158%0.57741%0.408SS*.THydrogen-bonded Turntrans-66.3-13.317769.50000113.6F36 L37F36-T39 WeakPolarHBondContact O-CB 3.32Å; F36-T39 PolarHBondContact O-N 3.32Å; F36-T39 VanDerWaalsContact O-N 3.14Å; F36-T39 PolarHBondContact O-OG1 3.46Å; L37-T39 PolarHBondContact O-N 3.4Å
40R88.8Confident89.5Confident174 Ų17480.9 Ų80.966%0.65740%0.397SS*.THydrogen-bonded Turntrans-96.7-2.7-176.7-61.8-63.3-170.4143.6-1.1114.3L37 R38 L42L37-R40 WeakPolarHBondContact O-CB 3.42Å; L37-R40 PolarHBondContact O-N 2.97Å; R38-R40 PolarHBondContact O-N 3.39Å; R38-R40 VanDerWaalsContact O-N 3.15Å; R40-L42 PolarHBondContact O-N 3.31Å
41H85.1Confident89.3Confident173 Ų17382.3 Ų82.380%0.80140%0.404SS*.  trans45.760.4178.4-66.4-77.9000113.7R38R38-H41 PolarHBondContact O-N 3.39Å
42L87.4Confident89.5Confident54 Ų5486.1 Ų86.128%0.28342%0.416SS..  trans-65.1150178-70.3135.1000112L37 R40 E46 I47 L281L37-L42 HydrophobicContact CB-CD1 3.91Å; L37-L42 HydrophobicContact CD2-CD1 4.3Å; R40-L42 PolarHBondContact O-N 3.31Å; L42-E46 HydrophobicContact CB-CB 4.38Å; L42-E46 HydrophobicContact CD2-CB 3.91Å; L42-I47 HydrophobicContact CB-CG1 3.99Å; L42-L281 HydrophobicContact CD1-CD1 4.1Å; L42-L281 HydrophobicContact CD1-CD2 4.39Å
43S91.2Very high89.5Confident48 Ų4881.6 Ų81.634%0.33639%0.394SS..  trans-71.9157.8172.568.10000112Q45 E46 I47S43-Q45 PolarHBondContact O-N 3.13Å; S43-E46 WeakPolarHBondContact CB-OE2 3.23Å; S43-E46 PolarHBondContact N-OE2 2.96Å; S43-E46 PolarHBondContact O-N 3.45Å; S43-E46 VanDerWaalsContact O-N 3.15Å; S43-E46 WeakPolarHBondContact OG-CG 3.3Å; S43-E46 PolarHBondContact OG-N 3.42Å; S43-E46 PolarHBondContact OG-OE2 3.45Å; S43-I47 WeakPolarHBondContact O-CG1 3.3Å; S43-I47 PolarHBondContact O-N 3.4Å
44P87.6Confident88.9Confident112 Ų11279 Ų7973%0.72738%0.381SS*.Hα-helixtrans-57.7-34.9179-26.234.9000114I47 S48P44-I47 PolarHBondContact O-N 2.93Å; P44-S48 PolarHBondContact O-N 3.38Å; P44-S48 VanDerWaalsContact O-N 3.09Å
45Q89.9Confident88.4Confident122 Ų12282.4 Ų82.457%0.5740%0.396SS*.Hα-helixtrans-69-40.7178.4-172.9175.4-1.100111.7S43 I47 S48 Y49S43-Q45 PolarHBondContact O-N 3.13Å; Q45-I47 VanDerWaalsContact C-N 3.34Å; Q45-S48 PolarHBondContact O-N 3.37Å; Q45-Y49 HydrophobicContact CG-CD2 4.37Å; Q45-Y49 HydrophobicContact CG-CE2 3.75Å; Q45-Y49 PolarHBondContact NE2-OH 3.45Å; Q45-Y49 PolarHBondContact O-N 3.08Å
46E90.9Very high88.2Confident96 Ų9680.6 Ų80.645%0.44939%0.391SS..Hα-helixtrans-66.3-37.1175.7-69.1165.7137.200111.8L42 S43 S48 Y49 F50L42-E46 HydrophobicContact CB-CB 4.38Å; L42-E46 HydrophobicContact CD2-CB 3.91Å; S43-E46 WeakPolarHBondContact CB-OE2 3.23Å; S43-E46 PolarHBondContact N-OE2 2.96Å; S43-E46 PolarHBondContact O-N 3.45Å; S43-E46 VanDerWaalsContact O-N 3.15Å; S43-E46 WeakPolarHBondContact OG-CG 3.3Å; S43-E46 PolarHBondContact OG-N 3.42Å; S43-E46 PolarHBondContact OG-OE2 3.45Å; E46-S48 VanDerWaalsContact C-N 3.34Å; E46-Y49 PolarHBondContact O-N 3.41Å; E46-F50 VanDerWaalsContact O-CB 3.27Å; E46-F50 WeakPolarHBondContact O-CB 3.41Å; E46-F50 PolarHBondContact O-N 3.1Å
47I88.2Confident87.4Confident24 Ų2475.1 Ų75.112%0.12337%0.367CS..Hα-helixtrans-61.5-44.6174.2-65.7168.9000110.3L42 S43 P44 Q45 Y49 F50 Q51 L281 E282L42-I47 HydrophobicContact CB-CG1 3.99Å; S43-I47 WeakPolarHBondContact O-CG1 3.3Å; S43-I47 PolarHBondContact O-N 3.4Å; P44-I47 PolarHBondContact O-N 2.93Å; Q45-I47 VanDerWaalsContact C-N 3.34Å; I47-Y49 PolarHBondContact O-N 3.15Å; I47-F50 PolarHBondContact O-N 3.37Å; I47-Q51 HydrophobicContact CG2-CG 4.42Å; I47-Q51 WeakPolarHBondContact O-CB 3.24Å; I47-Q51 WeakPolarHBondContact O-CG 3.31Å; I47-Q51 PolarHBondContact O-N 3.23Å; I47-L281 HydrophobicContact CD1-CB 4.32Å; I47-L281 HydrophobicContact CG1-CB 4.38Å; I47-L281 HydrophobicContact CG1-CD1 4.45Å; I47-L281 HydrophobicContact CG2-CB 4.37Å; I47-E282 HydrophobicContact CG2-CG 4.24Å
48S86.1Confident86.4Confident62 Ų6274.2 Ų74.243%0.43436%0.362SS..Hα-helixtrans-60.9-45.2177-179.70000112.1P44 Q45 E46 F50 Q51 F52P44-S48 PolarHBondContact O-N 3.38Å; P44-S48 VanDerWaalsContact O-N 3.09Å; Q45-S48 PolarHBondContact O-N 3.37Å; E46-S48 VanDerWaalsContact C-N 3.34Å; S48-F50 VanDerWaalsContact C-N 3.35Å; S48-F50 PolarHBondContact O-N 2.91Å; S48-Q51 PolarHBondContact O-N 2.91Å; S48-F52 PolarHBondContact O-N 3.23Å
49Y92.7Very high86.2Confident157 Ų15778.1 Ų78.162%0.61638%0.377SS*.Hα-helixtrans-64.9-38.5176.1-65-23.1000112.9Q45 E46 I47 Q51 F52Q45-Y49 HydrophobicContact CG-CD2 4.37Å; Q45-Y49 HydrophobicContact CG-CE2 3.75Å; Q45-Y49 PolarHBondContact NE2-OH 3.45Å; Q45-Y49 PolarHBondContact O-N 3.08Å; E46-Y49 PolarHBondContact O-N 3.41Å; I47-Y49 PolarHBondContact O-N 3.15Å; Y49-Q51 VanDerWaalsContact C-N 3.34Å; Y49-F52 WeakPolarHBondContact O-CB 3.28Å; Y49-F52 PolarHBondContact O-N 3.44Å
50F91Very high85.6Confident47 Ų4776.1 Ų76.121%0.20636%0.362CS..Hα-helixtrans-65.8-36.6176.9178.5-99000112.4L33 L37 E46 I47 S48 F52 P53 F274 A277 L281L33-F50 HydrophobicContact CD2-CE2 4.25Å; L33-F50 HydrophobicContact CD2-CZ 3.77Å; L33-F50 HydrophobicContact CG-CZ 4.16Å; L37-F50 HydrophobicContact CD1-CD1 4.34Å; L37-F50 HydrophobicContact CD1-CD2 4.11Å; L37-F50 HydrophobicContact CD1-CE1 3.75Å; L37-F50 HydrophobicContact CD1-CE2 3.48Å; L37-F50 VanDerWaalsContact CD1-CE2 3.48Å; L37-F50 HydrophobicContact CD1-CZ 3.27Å; E46-F50 VanDerWaalsContact O-CB 3.27Å; E46-F50 WeakPolarHBondContact O-CB 3.41Å; E46-F50 PolarHBondContact O-N 3.1Å; I47-F50 PolarHBondContact O-N 3.37Å; S48-F50 VanDerWaalsContact C-N 3.35Å; S48-F50 PolarHBondContact O-N 2.91Å; F50-F52 VanDerWaalsContact C-N 3.33Å; F50-F52 PolarHBondContact O-N 3.14Å; F50-P53 WeakPolarHBondContact O-CD 3.48Å; F50-F274 HydrophobicContact CD2-CD1 4.33Å; F50-F274 HydrophobicContact CE1-CD1 4.32Å; F50-F274 AromaticContact CE2-CD1 3.89Å; F50-F274 HydrophobicContact CE2-CD1 3.89Å; F50-F274 AromaticContact CE2-CE1 3.97Å; F50-F274 HydrophobicContact CE2-CE1 3.97Å; F50-F274 AromaticContact CZ-CD1 3.87Å; F50-F274 HydrophobicContact CZ-CD1 3.87Å; F50-F274 HydrophobicContact CZ-CE1 4.3Å; F50-F274 WeakPolarHBondContact O-CD1 3.48Å; F50-A277 HydrophobicContact CE1-CB 3.64Å; F50-A277 HydrophobicContact CZ-CB 3.92Å; F50-L281 HydrophobicContact CD1-CD1 4.08Å; F50-L281 HydrophobicContact CE1-CD1 4.28Å
51Q86.3Confident84.6Confident31 Ų3168.7 Ų68.715%0.14534%0.335CS..Hα-helixtrans-75.6-16.5179.3-79.7178.79.300114.9I47 S48 Y49 P53 G54 E55 G278 E282I47-Q51 HydrophobicContact CG2-CG 4.42Å; I47-Q51 WeakPolarHBondContact O-CB 3.24Å; I47-Q51 WeakPolarHBondContact O-CG 3.31Å; I47-Q51 PolarHBondContact O-N 3.23Å; S48-Q51 PolarHBondContact O-N 2.91Å; Y49-Q51 VanDerWaalsContact C-N 3.34Å; Q51-P53 VanDerWaalsContact C-CD 3.45Å; Q51-G54 VanDerWaalsContact O-CA 3.32Å; Q51-G54 WeakPolarHBondContact O-CA 3.4Å; Q51-G54 PolarHBondContact O-N 2.88Å; Q51-E55 PolarHBondContact O-N 3.12Å; Q51-G278 PolarHBondContact NE2-O 2.97Å; Q51-E282 PolarHBondContact NE2-OE1 3.47Å; Q51-E282 PolarHBondContact OE1-OE1 2.95Å; Q51-E282 VanDerWaalsContact OE1-OE1 3.11Å
52F91.4Very high83.8Confident118 Ų11864.5 Ų64.552%0.51832%0.315SS..Hα-helixtrans-49.4-44.2-172.3177.7-101.4000115.2S48 Y49 F50 G54 E55 L56S48-F52 PolarHBondContact O-N 3.23Å; Y49-F52 WeakPolarHBondContact O-CB 3.28Å; Y49-F52 PolarHBondContact O-N 3.44Å; F50-F52 VanDerWaalsContact C-N 3.33Å; F50-F52 PolarHBondContact O-N 3.14Å; F52-G54 PolarHBondContact O-N 2.5Å; F52-E55 WeakPolarHBondContact O-CB 3.3Å; F52-E55 PolarHBondContact O-N 2.98Å; F52-E55 VanDerWaalsContact O-N 3.15Å; F52-L56 PolarHBondContact O-N 3.43Å
53P90.9Very high83.6Confident24 Ų2468 Ų6816%0.15633%0.331CS..Hα-helixtrans-60.2-32176.6-24.135.5000113.4F50 Q51 L57 Y267 F270 F274F50-P53 WeakPolarHBondContact O-CD 3.48Å; Q51-P53 VanDerWaalsContact C-CD 3.45Å; P53-L57 PolarHBondContact O-N 3.39Å; P53-Y267 WeakPolarHBondContact CA-OH 3.26Å; P53-Y267 WeakPolarHBondContact O-CE1 3.26Å; P53-Y267 PolarHBondContact O-OH 3.4Å; P53-F270 HydrophobicContact CB-CE1 3.82Å; P53-F270 HydrophobicContact CB-CZ 4.44Å; P53-F274 HydrophobicContact CB-CB 4.23Å; P53-F274 HydrophobicContact CB-CD2 3.7Å; P53-F274 HydrophobicContact CB-CE2 4.24Å; P53-F274 HydrophobicContact CB-CG 3.94Å; P53-F274 HydrophobicContact CG-CB 4.48Å; P53-F274 HydrophobicContact CG-CD1 4.18Å; P53-F274 HydrophobicContact CG-CD2 4.04Å; P53-F274 HydrophobicContact CG-CE1 4.46Å; P53-F274 HydrophobicContact CG-CE2 4.33Å; P53-F274 HydrophobicContact CG-CG 3.96Å
54G79.8Confident82.8Confident0 Ų066.1 Ų66.10%032%0.317CS..Hα-helixtrans-73-42.9174.500000113Q51 F52 L56 L57 M58 L275Q51-G54 VanDerWaalsContact O-CA 3.32Å; Q51-G54 WeakPolarHBondContact O-CA 3.4Å; Q51-G54 PolarHBondContact O-N 2.88Å; F52-G54 PolarHBondContact O-N 2.5Å; G54-L56 VanDerWaalsContact C-N 3.26Å; G54-L56 PolarHBondContact O-N 3.27Å; G54-L57 WeakPolarHBondContact O-CB 3.48Å; G54-L57 PolarHBondContact O-N 2.84Å; G54-L57 VanDerWaalsContact O-N 3.09Å; G54-M58 PolarHBondContact O-N 3.36Å; G54-L275 VanDerWaalsContact CA-CD2 3.46Å; G54-L275 WeakPolarHBondContact O-CD2 3.48Å
55E80.6Confident82.1Confident70 Ų7060.9 Ų60.933%0.32728%0.283SS..Hα-helixtrans-57.8-41.5173.6-166.8-163148.800111.3Q51 F52 L57 M58 R59Q51-E55 PolarHBondContact O-N 3.12Å; F52-E55 WeakPolarHBondContact O-CB 3.3Å; F52-E55 PolarHBondContact O-N 2.98Å; F52-E55 VanDerWaalsContact O-N 3.15Å; E55-L57 VanDerWaalsContact C-N 3.28Å; E55-L57 PolarHBondContact O-N 3.33Å; E55-M58 PolarHBondContact O-N 3.47Å; E55-M58 VanDerWaalsContact O-N 3.1Å; E55-R59 WeakPolarHBondContact O-CG 3.43Å; E55-R59 PolarHBondContact O-N 2.97Å; E55-R59 IonicContact OE1-CZ 3.16Å; E55-R59 IonicContact OE1-NE 2.81Å; E55-R59 PolarHBondContact OE1-NE 3.39Å; E55-R59 IonicContact OE1-NH2 2.68Å; E55-R59 PolarHBondContact OE1-NH2 3.03Å
56L85.1Confident81.8Confident69 Ų6957.8 Ų57.836%0.36127%0.27SS..Hα-helixtrans-58.3-40.7175.7-172.664.4000111.8F52 G54 M58 R59 M60F52-L56 PolarHBondContact O-N 3.43Å; G54-L56 VanDerWaalsContact C-N 3.26Å; G54-L56 PolarHBondContact O-N 3.27Å; L56-M58 VanDerWaalsContact C-N 3.35Å; L56-M58 PolarHBondContact O-N 3.04Å; L56-R59 PolarHBondContact O-N 3.15Å; L56-M60 HydrophobicContact CG-SD 4.41Å; L56-M60 VanDerWaalsContact O-CG 3.28Å; L56-M60 WeakPolarHBondContact O-CG 3.32Å; L56-M60 PolarHBondContact O-N 3.2Å
57L77.3Confident81.5Confident0 Ų055.2 Ų55.20%026%0.261CS..Hα-helixtrans-59.9-46.2175.3176.262.2000110.8P53 G54 E55 R59 M60 L61 Y267 F268 L275P53-L57 PolarHBondContact O-N 3.39Å; G54-L57 WeakPolarHBondContact O-CB 3.48Å; G54-L57 PolarHBondContact O-N 2.84Å; G54-L57 VanDerWaalsContact O-N 3.09Å; E55-L57 VanDerWaalsContact C-N 3.28Å; E55-L57 PolarHBondContact O-N 3.33Å; L57-R59 VanDerWaalsContact C-N 3.34Å; L57-R59 PolarHBondContact O-N 3.22Å; L57-M60 PolarHBondContact O-N 3.45Å; L57-L61 HydrophobicContact CD1-CG 4.37Å; L57-L61 HydrophobicContact CG-CD1 4.42Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 2.92Å; L57-Y267 HydrophobicContact CB-CD1 4.12Å; L57-Y267 HydrophobicContact CB-CE1 3.87Å; L57-Y267 HydrophobicContact CD1-CD1 3.98Å; L57-F268 HydrophobicContact CD1-CB 4.44Å; L57-F268 HydrophobicContact CD1-CD2 3.99Å; L57-F268 HydrophobicContact CD2-CD2 3.7Å; L57-F268 HydrophobicContact CD2-CE2 4.1Å; L57-F268 HydrophobicContact CD2-CG 4.44Å; L57-F268 HydrophobicContact CG-CD2 4.36Å; L57-L275 HydrophobicContact CB-CD1 4.49Å; L57-L275 HydrophobicContact CD2-CD1 3.84Å; L57-L275 HydrophobicContact CG-CD1 4.5Å
58M70Confident81Confident10 Ų1054.2 Ų54.25%0.04926%0.256CS..Hα-helixtrans-63.7-39.1179.1-64.6-58-70.500112.1G54 E55 L56 L61 K62 L275 I503G54-M58 PolarHBondContact O-N 3.36Å; E55-M58 PolarHBondContact O-N 3.47Å; E55-M58 VanDerWaalsContact O-N 3.1Å; L56-M58 VanDerWaalsContact C-N 3.35Å; L56-M58 PolarHBondContact O-N 3.04Å; M58-L61 PolarHBondContact O-N 3.29Å; M58-K62 WeakPolarHBondContact O-CB 3.2Å; M58-K62 WeakPolarHBondContact O-CG 3.39Å; M58-K62 PolarHBondContact O-N 2.87Å; M58-L275 HydrophobicContact CG-CD1 4.17Å; M58-L275 HydrophobicContact CG-CD2 4.14Å; M58-L275 HydrophobicContact SD-CD1 4.15Å; M58-I503 HydrophobicContact CE-CB 4.41Å; M58-I503 HydrophobicContact CE-CD1 4.25Å
59R80.8Confident80.5Confident155 Ų15551.6 Ų51.659%0.58524%0.238SC*.Hα-helixtrans-63.9-44.1174.5-70.8177.3177.5-124.54.2112E55 L56 L57 L61 K62 M63E55-R59 WeakPolarHBondContact O-CG 3.43Å; E55-R59 PolarHBondContact O-N 2.97Å; E55-R59 IonicContact OE1-CZ 3.16Å; E55-R59 IonicContact OE1-NE 2.81Å; E55-R59 PolarHBondContact OE1-NE 3.39Å; E55-R59 IonicContact OE1-NH2 2.68Å; E55-R59 PolarHBondContact OE1-NH2 3.03Å; L56-R59 PolarHBondContact O-N 3.15Å; L57-R59 VanDerWaalsContact C-N 3.34Å; L57-R59 PolarHBondContact O-N 3.22Å; R59-L61 VanDerWaalsContact C-N 3.35Å; R59-L61 PolarHBondContact O-N 3.06Å; R59-K62 PolarHBondContact O-N 3.23Å; R59-M63 WeakPolarHBondContact O-CB 3.44Å; R59-M63 PolarHBondContact O-N 3.09Å
60M76.4Confident80.2Confident53 Ų5346 Ų4626%0.26122%0.22SC..Hα-helixtrans-58.2-47.5175.1-71.5173.57200110.8L56 L57 M63 M64 A264 Y267L56-M60 HydrophobicContact CG-SD 4.41Å; L56-M60 VanDerWaalsContact O-CG 3.28Å; L56-M60 WeakPolarHBondContact O-CG 3.32Å; L56-M60 PolarHBondContact O-N 3.2Å; L57-M60 PolarHBondContact O-N 3.45Å; M60-M63 WeakPolarHBondContact O-CB 3.37Å; M60-M63 PolarHBondContact O-N 3.12Å; M60-M64 WeakPolarHBondContact O-CG 3.41Å; M60-M64 PolarHBondContact O-N 3.32Å; M60-A264 HydrophobicContact CE-CB 3.74Å; M60-Y267 HydrophobicContact SD-CD1 3.94Å; M60-Y267 HydrophobicContact SD-CE1 4.37Å; M60-Y267 HydrophobicContact SD-CG 4.44Å
61L66.9Low79.9Confident18 Ų1843.8 Ų43.89%0.09421%0.21CC..Hα-helixtrans-62.7-44.9178.7-64.8178.6000112.2L57 M58 R59 M63 M64 V487L57-L61 HydrophobicContact CD1-CG 4.37Å; L57-L61 HydrophobicContact CG-CD1 4.42Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 2.92Å; M58-L61 PolarHBondContact O-N 3.29Å; R59-L61 VanDerWaalsContact C-N 3.35Å; R59-L61 PolarHBondContact O-N 3.06Å; L61-M63 VanDerWaalsContact C-N 3.33Å; L61-M63 PolarHBondContact O-N 3.11Å; L61-M64 PolarHBondContact O-N 3.33Å; L61-V487 HydrophobicContact CD2-CG2 4.14Å
62K69.9Low79.5Confident85 Ų8542.7 Ų42.737%0.3721%0.206SC..Hα-helixtrans-59.3-40.8177.8-77.1174.8179.2178.80112.6M58 R59 M64 I65 V490 T500M58-K62 WeakPolarHBondContact O-CB 3.2Å; M58-K62 WeakPolarHBondContact O-CG 3.39Å; M58-K62 PolarHBondContact O-N 2.87Å; R59-K62 PolarHBondContact O-N 3.23Å; K62-M64 PolarHBondContact O-N 2.81Å; K62-I65 PolarHBondContact O-N 3.47Å; K62-V490 HydrophobicContact CG-CG1 4.14Å; K62-T500 WeakPolarHBondContact CE-OG1 3.3Å; K62-T500 PolarHBondContact NZ-OG1 2.81Å
63M82.1Confident78.9Confident126 Ų12637.3 Ų37.362%0.62118%0.183SC*.Hα-helixtrans-59.5-32.7178.2-177-1727300112.6R59 M60 L61 I65R59-M63 WeakPolarHBondContact O-CB 3.44Å; R59-M63 PolarHBondContact O-N 3.09Å; M60-M63 WeakPolarHBondContact O-CB 3.37Å; M60-M63 PolarHBondContact O-N 3.12Å; L61-M63 VanDerWaalsContact C-N 3.33Å; L61-M63 PolarHBondContact O-N 3.11Å; M63-I65 VanDerWaalsContact C-N 3.34Å
64M75.5Confident78.7Confident9 Ų936.9 Ų36.94%0.04418%0.179CC..Hα-helixtrans-78.4-18.9-176.1-48.9-150.967.100113.3M60 L61 K62 P67 L68 V257 I260 V261 A264M60-M64 WeakPolarHBondContact O-CG 3.41Å; M60-M64 PolarHBondContact O-N 3.32Å; L61-M64 PolarHBondContact O-N 3.33Å; K62-M64 PolarHBondContact O-N 2.81Å; M64-P67 WeakPolarHBondContact O-CD 3.2Å; M64-P67 WeakPolarHBondContact O-CG 3.44Å; M64-L68 WeakPolarHBondContact O-CB 3.32Å; M64-L68 PolarHBondContact O-N 3.2Å; M64-V257 HydrophobicContact CE-CG1 3.75Å; M64-V257 WeakPolarHBondContact CE-O 3.18Å; M64-I260 HydrophobicContact CE-CB 3.63Å; M64-I260 HydrophobicContact CE-CG2 3.52Å; M64-I260 HydrophobicContact SD-CG2 4.31Å; M64-V261 HydrophobicContact CE-CB 4.04Å; M64-V261 HydrophobicContact CE-CG2 3.24Å; M64-V261 VanDerWaalsContact CE-N 3.34Å; M64-V261 HydrophobicContact SD-CB 4.12Å; M64-V261 HydrophobicContact SD-CG2 3.56Å; M64-V261 VanDerWaalsContact SD-CG2 3.56Å; M64-A264 HydrophobicContact SD-CB 4.28Å
65I73.3Confident78.7Confident2 Ų237.4 Ų37.41%0.0118%0.182CC..Hα-helixtrans-61.7-54.1-170.2-63.5173.7000111.2K62 M63 L68 V69 M220 V487 V490 I491K62-I65 PolarHBondContact O-N 3.47Å; M63-I65 VanDerWaalsContact C-N 3.34Å; I65-L68 PolarHBondContact O-N 3.48Å; I65-V69 HydrophobicContact CG2-CG2 3.95Å; I65-V69 WeakPolarHBondContact O-CB 3.46Å; I65-V69 VanDerWaalsContact O-CG2 3.24Å; I65-V69 WeakPolarHBondContact O-CG2 3.43Å; I65-V69 PolarHBondContact O-N 3.42Å; I65-M220 HydrophobicContact CB-CE 3.9Å; I65-M220 HydrophobicContact CG2-CE 3.36Å; I65-V487 HydrophobicContact CG1-CG1 3.91Å; I65-V490 HydrophobicContact CD1-CB 3.69Å; I65-V490 HydrophobicContact CD1-CG1 3.36Å; I65-I491 HydrophobicContact CG2-CD1 3.92Å; I65-I491 HydrophobicContact CG2-CG1 3.54Å
66L83.3Confident78.5Confident57 Ų5735.1 Ų35.130%0.29818%0.178SC..Hα-helixtrans-56.7-57.8-175.2177.465.6000113.2L68 V70 T155 M220 I225L66-L68 PolarHBondContact O-N 2.98Å; L66-V70 HydrophobicContact CD1-CG2 4.21Å; L66-V70 WeakPolarHBondContact O-CG2 3.43Å; L66-V70 PolarHBondContact O-N 2.88Å; L66-T155 HydrophobicContact CD1-CG2 3.87Å; L66-T155 HydrophobicContact CD2-CG2 3.75Å; L66-T155 HydrophobicContact CG-CG2 4.48Å; L66-M220 HydrophobicContact CB-SD 4.01Å; L66-M220 HydrophobicContact CD1-SD 4.19Å; L66-I225 HydrophobicContact CD1-CD1 3.65Å; L66-I225 HydrophobicContact CD1-CG1 4.5Å; L66-I225 HydrophobicContact CD1-CG2 4.16Å
67P84.6Confident78.1Confident42 Ų4232.7 Ų32.727%0.27317%0.165SC..Hα-helixtrans-66.2-30.7-17727.5-36.4000112.2M64 S71 V257M64-P67 WeakPolarHBondContact O-CD 3.2Å; M64-P67 WeakPolarHBondContact O-CG 3.44Å; P67-S71 VanDerWaalsContact O-CB 3.23Å; P67-S71 WeakPolarHBondContact O-CB 3.29Å; P67-S71 PolarHBondContact O-N 3.42Å; P67-S71 VanDerWaalsContact O-N 3.14Å; P67-S71 PolarHBondContact O-OG 3.13Å; P67-V257 HydrophobicContact CB-CG2 3.91Å; P67-V257 HydrophobicContact CG-CG1 4.47Å; P67-V257 HydrophobicContact CG-CG2 4.22Å
68L77.2Confident78.2Confident3 Ų333.2 Ų33.22%0.01617%0.169CC..Hα-helixtrans-72.5-48.2179.8-17259.7000112M64 I65 L66 V70 S71 S72 N254 V257 M258 I481 V487M64-L68 WeakPolarHBondContact O-CB 3.32Å; M64-L68 PolarHBondContact O-N 3.2Å; I65-L68 PolarHBondContact O-N 3.48Å; L66-L68 PolarHBondContact O-N 2.98Å; L68-V70 PolarHBondContact O-N 2.76Å; L68-S71 PolarHBondContact O-OG 2.77Å; L68-S72 WeakPolarHBondContact O-CB 3.4Å; L68-S72 PolarHBondContact O-N 3.16Å; L68-S72 PolarHBondContact O-OG 2.96Å; L68-N254 WeakPolarHBondContact CD1-OD1 3.41Å; L68-V257 HydrophobicContact CB-CG1 4.1Å; L68-V257 HydrophobicContact CD1-CG1 4.1Å; L68-M258 HydrophobicContact CD1-SD 4.01Å; L68-I481 HydrophobicContact CD1-CD1 4.33Å; L68-I481 HydrophobicContact CD1-CG1 4.21Å; L68-I481 HydrophobicContact CD2-CD1 3.21Å; L68-I481 HydrophobicContact CD2-CG1 3.7Å; L68-I481 HydrophobicContact CG-CD1 3.84Å; L68-I481 HydrophobicContact CG-CG1 4.27Å; L68-V487 HydrophobicContact CD2-CG1 4.44Å
69V76.3Confident78.2Confident8 Ų836.3 Ų36.35%0.04819%0.192CC..Hα-helixtrans-60.4-48179.2169.50000110.8I65 S72 L73 I225 V226 I491I65-V69 HydrophobicContact CG2-CG2 3.95Å; I65-V69 WeakPolarHBondContact O-CB 3.46Å; I65-V69 VanDerWaalsContact O-CG2 3.24Å; I65-V69 WeakPolarHBondContact O-CG2 3.43Å; I65-V69 PolarHBondContact O-N 3.42Å; V69-S72 PolarHBondContact O-OG 2.69Å; V69-L73 HydrophobicContact CG1-CD1 3.75Å; V69-L73 VanDerWaalsContact O-CB 3.26Å; V69-L73 WeakPolarHBondContact O-CB 3.25Å; V69-L73 VanDerWaalsContact O-CG 3.31Å; V69-L73 WeakPolarHBondContact O-CG 3.48Å; V69-L73 PolarHBondContact O-N 3.45Å; V69-L73 VanDerWaalsContact O-N 3.08Å; V69-I225 HydrophobicContact CG1-CG2 4.26Å; V69-V226 HydrophobicContact CG1-CG2 3.56Å; V69-I491 HydrophobicContact CG2-CD1 3.43Å; V69-I491 VanDerWaalsContact CG2-CD1 3.43Å; V69-I491 HydrophobicContact CG2-CG1 4.43Å
70V85.9Confident77.6Confident40 Ų4030.7 Ų30.724%0.24217%0.173CC..Hα-helixtrans-63.2-52.4-178.8176.20000110.6L66 L68 M74 I225L66-V70 HydrophobicContact CD1-CG2 4.21Å; L66-V70 WeakPolarHBondContact O-CG2 3.43Å; L66-V70 PolarHBondContact O-N 2.88Å; L68-V70 PolarHBondContact O-N 2.76Å; V70-M74 HydrophobicContact CG1-SD 3.62Å; V70-M74 VanDerWaalsContact O-CB 3.23Å; V70-M74 WeakPolarHBondContact O-CB 3.06Å; V70-M74 WeakPolarHBondContact O-CG 3.34Å; V70-M74 PolarHBondContact O-N 3.03Å; V70-M74 VanDerWaalsContact O-N 3.08Å; V70-I225 HydrophobicContact CG2-CG2 3.54Å
71S84.7Confident76.7Confident0 Ų031.9 Ų31.90%018%0.181CC..Hα-helixtrans-69.6-40.7-175.662.70000113.5P67 L68 S75 C250 N254P67-S71 VanDerWaalsContact O-CB 3.23Å; P67-S71 WeakPolarHBondContact O-CB 3.29Å; P67-S71 PolarHBondContact O-N 3.42Å; P67-S71 VanDerWaalsContact O-N 3.14Å; P67-S71 PolarHBondContact O-OG 3.13Å; L68-S71 PolarHBondContact O-OG 2.77Å; S71-S75 VanDerWaalsContact O-CB 3.32Å; S71-S75 WeakPolarHBondContact O-CB 3.46Å; S71-S75 PolarHBondContact O-N 3.22Å; S71-S75 PolarHBondContact O-OG 3.39Å; S71-C250 WeakPolarHBondContact CB-O 3.22Å; S71-N254 WeakPolarHBondContact OG-CA 3.35Å
72S78.7Confident76.1Confident8 Ų833.3 Ų33.36%0.05620%0.195CC..Hα-helixtrans-70.2-43.7-179.665.10000112.5L68 V69 S75 G76L68-S72 WeakPolarHBondContact O-CB 3.4Å; L68-S72 PolarHBondContact O-N 3.16Å; L68-S72 PolarHBondContact O-OG 2.96Å; V69-S72 PolarHBondContact O-OG 2.69Å; S72-S75 PolarHBondContact O-OG 2.9Å; S72-G76 WeakPolarHBondContact O-CA 3.31Å; S72-G76 PolarHBondContact O-N 2.97Å
73L78.6Confident75.1Confident5 Ų536.8 Ų36.83%0.02621%0.21CC..Hα-helixtrans-70.1-43.1178.5-69.8177.2000111.6V69 L77 V226 I476V69-L73 HydrophobicContact CG1-CD1 3.75Å; V69-L73 VanDerWaalsContact O-CB 3.26Å; V69-L73 WeakPolarHBondContact O-CB 3.25Å; V69-L73 VanDerWaalsContact O-CG 3.31Å; V69-L73 WeakPolarHBondContact O-CG 3.48Å; V69-L73 PolarHBondContact O-N 3.45Å; V69-L73 VanDerWaalsContact O-N 3.08Å; L73-L77 WeakPolarHBondContact O-CB 3.46Å; L73-L77 WeakPolarHBondContact O-CG 3.46Å; L73-L77 PolarHBondContact O-N 3.37Å; L73-V226 HydrophobicContact CD1-CB 4.1Å; L73-V226 HydrophobicContact CD1-CG1 3.82Å; L73-V226 HydrophobicContact CD1-CG2 3.97Å; L73-I476 HydrophobicContact CD2-CB 4.02Å; L73-I476 HydrophobicContact CD2-CG2 3.84Å
74M86Confident73.4Confident15 Ų1535.9 Ų35.97%0.07421%0.212CC..Hα-helixtrans-62-50.4178.4-73.6178.46500111.3V70 A78 S229 M232 G233 L236 L246 C250V70-M74 HydrophobicContact CG1-SD 3.62Å; V70-M74 VanDerWaalsContact O-CB 3.23Å; V70-M74 WeakPolarHBondContact O-CB 3.06Å; V70-M74 WeakPolarHBondContact O-CG 3.34Å; V70-M74 PolarHBondContact O-N 3.03Å; V70-M74 VanDerWaalsContact O-N 3.08Å; M74-A78 WeakPolarHBondContact O-CB 3.36Å; M74-A78 PolarHBondContact O-N 3.18Å; M74-S229 WeakPolarHBondContact CG-O 3.37Å; M74-M232 HydrophobicContact CE-CB 4.35Å; M74-M232 HydrophobicContact CE-CG 3.62Å; M74-M232 HydrophobicContact SD-CG 4.46Å; M74-G233 WeakPolarHBondContact O-CA 3.3Å; M74-L236 HydrophobicContact CE-CD1 3.66Å; M74-L246 HydrophobicContact CE-CD2 4.36Å; M74-C250 HydrophobicContact CB-CB 4.43Å
75S80.6Confident72.2Confident10 Ų1037.1 Ų37.17%0.0722%0.221CC..Hα-helixtrans-70.6-39.6180600000112.9S71 S72 A78 S79S71-S75 VanDerWaalsContact O-CB 3.32Å; S71-S75 WeakPolarHBondContact O-CB 3.46Å; S71-S75 PolarHBondContact O-N 3.22Å; S71-S75 PolarHBondContact O-OG 3.39Å; S72-S75 PolarHBondContact O-OG 2.9Å; S75-A78 PolarHBondContact O-N 2.89Å; S75-S79 WeakPolarHBondContact O-CB 3.33Å; S75-S79 PolarHBondContact O-N 3.17Å
76G74.6Confident71.8Confident23 Ų2340.1 Ų40.124%0.23724%0.242CC..Hα-helixtrans-60.4-48.5178.700000111.9S72 S79S72-G76 WeakPolarHBondContact O-CA 3.31Å; S72-G76 PolarHBondContact O-N 2.97Å; G76-S79 PolarHBondContact O-OG 2.9Å
77L77.6Confident71.5Confident18 Ų1844.9 Ų44.99%0.09426%0.256CS..Hα-helixtrans-78.6-27.4-180-67.1167.5000113.4L73 L80 A230 I234L73-L77 WeakPolarHBondContact O-CB 3.46Å; L73-L77 WeakPolarHBondContact O-CG 3.46Å; L73-L77 PolarHBondContact O-N 3.37Å; L77-L80 HydrophobicContact CD2-CD1 3.83Å; L77-L80 WeakPolarHBondContact O-CB 3.4Å; L77-L80 PolarHBondContact O-N 3.19Å; L77-A230 VanDerWaalsContact CD1-CA 3.44Å; L77-A230 HydrophobicContact CD1-CB 3.53Å; L77-I234 HydrophobicContact CB-CG1 4.16Å; L77-I234 HydrophobicContact CD1-CG1 4.49Å
78A79.1Confident71.4Confident10 Ų1043.3 Ų43.38%0.08325%0.246CC..Hα-helixtrans-74.2-27.5175.100000113.4M74 S75 L80 G233 L236 G237 V247M74-A78 WeakPolarHBondContact O-CB 3.36Å; M74-A78 PolarHBondContact O-N 3.18Å; S75-A78 PolarHBondContact O-N 2.89Å; A78-L80 PolarHBondContact O-N 3.29Å; A78-G233 WeakPolarHBondContact CA-O 3.25Å; A78-G233 VanDerWaalsContact CB-O 3.26Å; A78-G233 WeakPolarHBondContact CB-O 3.48Å; A78-G233 PolarHBondContact N-O 3.11Å; A78-L236 HydrophobicContact CB-CB 4.07Å; A78-G237 WeakPolarHBondContact O-CA 3.38Å; A78-V247 HydrophobicContact CB-CB 4.37Å; A78-V247 HydrophobicContact CB-CG1 4.03Å; A78-V247 HydrophobicContact CB-CG2 3.39Å
79S70.3Confident71.5Confident75 Ų7543.3 Ų43.352%0.52425%0.246SC..THydrogen-bonded Turntrans-67-11.5173.874.60000113.5S75 G76 D81S75-S79 WeakPolarHBondContact O-CB 3.33Å; S75-S79 PolarHBondContact O-N 3.17Å; G76-S79 PolarHBondContact O-OG 2.9Å; S79-D81 VanDerWaalsContact C-N 3.31Å; S79-D81 PolarHBondContact O-N 2.94Å
80L67.3Low71.8Confident37 Ų3747.9 Ų47.919%0.19427%0.274CS..SBendtrans-75.287.8170.7-57.7173.2000108.5L77 A78 A82 V93 V431 I435L77-L80 HydrophobicContact CD2-CD1 3.83Å; L77-L80 WeakPolarHBondContact O-CB 3.4Å; L77-L80 PolarHBondContact O-N 3.19Å; A78-L80 PolarHBondContact O-N 3.29Å; L80-A82 PolarHBondContact O-N 3.17Å; L80-V93 HydrophobicContact CD1-CG1 4.5Å; L80-V93 HydrophobicContact CD1-CG2 3.87Å; L80-V93 HydrophobicContact CD2-CG2 3.87Å; L80-V431 HydrophobicContact CD2-CG1 4.11Å; L80-I435 HydrophobicContact CD1-CD1 4.11Å; L80-I435 HydrophobicContact CD2-CD1 4.06Å
81D58.7Low71.8Confident79 Ų7948.5 Ų48.542%0.42228%0.276SS..  trans-57.199.7-174-169-16.5000112.5S79 K83 T84 S85S79-D81 VanDerWaalsContact C-N 3.31Å; S79-D81 PolarHBondContact O-N 2.94Å; D81-K83 PolarHBondContact O-N 3.35Å; D81-K83 PolarHBondContact OD1-N 3.03Å; D81-K83 VanDerWaalsContact OD1-N 3.14Å; D81-T84 PolarHBondContact OD1-N 3.34Å; D81-T84 WeakPolarHBondContact OD2-CB 3.06Å; D81-T84 PolarHBondContact OD2-OG1 3.5Å; D81-T84 VanDerWaalsContact OD2-OG1 3.13Å; D81-S85 WeakPolarHBondContact O-CA 3.48Å; D81-S85 WeakPolarHBondContact O-CB 3.23Å; D81-S85 PolarHBondContact O-N 3.33Å
82A53.1Low71.9Confident47 Ų4748.5 Ų48.539%0.38828%0.276SS..THydrogen-bonded Turntrans-69.9-14.7-176.900000113.8L80 R238L80-A82 PolarHBondContact O-N 3.17Å; A82-R238 HydrophobicContact CB-CG 3.74Å
83K50.7Low72.2Confident158 Ų15849.4 Ų49.469%0.68728%0.281SS*.THydrogen-bonded Turntrans-99.2-24.7-176.5-76.2-178.2178.2178.80113D81D81-K83 PolarHBondContact O-N 3.35Å; D81-K83 PolarHBondContact OD1-N 3.03Å; D81-K83 VanDerWaalsContact OD1-N 3.14Å
84T44.7Very low72.6Confident108 Ų10851.8 Ų51.866%0.66330%0.301SS*.THydrogen-bonded Turntrans-118.3-5.2177.1-300000113.6D81 S86D81-T84 PolarHBondContact OD1-N 3.34Å; D81-T84 WeakPolarHBondContact OD2-CB 3.06Å; D81-T84 PolarHBondContact OD2-OG1 3.5Å; D81-T84 VanDerWaalsContact OD2-OG1 3.13Å; T84-S86 PolarHBondContact O-N 2.68Å
85S51.4Low73Confident34 Ų3451.9 Ų51.924%0.23830%0.301CS..  trans-69.685.1169.5-176.90000110.5D81 G89D81-S85 WeakPolarHBondContact O-CA 3.48Å; D81-S85 WeakPolarHBondContact O-CB 3.23Å; D81-S85 PolarHBondContact O-N 3.33Å; S85-G89 VanDerWaalsContact OG-CA 3.3Å; S85-G89 WeakPolarHBondContact OG-CA 3.22Å
86S64.9Low73.4Confident65 Ų6551.5 Ų51.546%0.45530%0.298SS..  trans-26.9147.514659.40000112.2T84 L88 G89T84-S86 PolarHBondContact O-N 2.68Å; S86-L88 CarbonylContact O-C 2.98Å; S86-L88 PolarHBondContact O-N 2.98Å; S86-L88 WeakPolarHBondContact OG-CB 3.28Å; S86-G89 PolarHBondContact O-N 2.77Å
87R77.6Confident74.1Confident158 Ų15854 Ų5460%0.59631%0.306SS*.Hα-helixtrans-33.5-31.4167.5-176.3-179.1175.7-167.25.5114.8L91 D539R87-L91 VanDerWaalsContact O-CB 3.25Å; R87-L91 WeakPolarHBondContact O-CB 3.43Å; R87-L91 PolarHBondContact O-N 3.37Å; R87-D539 IonicContact CZ-OD2 2.87Å; R87-D539 IonicContact NH1-OD1 2.62Å; R87-D539 PolarHBondContact NH1-OD1 3.2Å; R87-D539 IonicContact NH1-OD2 3.51Å; R87-D539 PolarHBondContact NH1-OD2 2.99Å
88L82.2Confident74.8Confident9 Ų959.9 Ų59.95%0.04733%0.326CS..Hα-helixtrans-53.2-47.4171.9179.968.1000113.7S86 T92 I424 F427 V428 M532 C536 F540S86-L88 CarbonylContact O-C 2.98Å; S86-L88 PolarHBondContact O-N 2.98Å; S86-L88 WeakPolarHBondContact OG-CB 3.28Å; L88-T92 WeakPolarHBondContact O-CB 3.47Å; L88-T92 PolarHBondContact O-N 3.31Å; L88-T92 PolarHBondContact O-OG1 3.02Å; L88-I424 HydrophobicContact CD1-CG2 4.4Å; L88-F427 HydrophobicContact CD2-CB 4.35Å; L88-F427 HydrophobicContact CD2-CD1 3.87Å; L88-F427 HydrophobicContact CD2-CG 4.18Å; L88-F427 HydrophobicContact CG-CD1 4.15Å; L88-F427 HydrophobicContact CG-CE1 4.43Å; L88-V428 HydrophobicContact CD1-CG2 4.48Å; L88-M532 HydrophobicContact CD1-CB 3.68Å; L88-M532 HydrophobicContact CD1-CG 4.12Å; L88-M532 HydrophobicContact CD1-SD 4.39Å; L88-C536 HydrophobicContact CD1-CB 4.36Å; L88-F540 HydrophobicContact CD2-CZ 4.16Å
89G79.6Confident75.6Confident3 Ų359.5 Ų59.53%0.03132%0.323CS..Hα-helixtrans-73.5-43.8-172.700000113.4S85 S86 L91 T92 V93S85-G89 VanDerWaalsContact OG-CA 3.3Å; S85-G89 WeakPolarHBondContact OG-CA 3.22Å; S86-G89 PolarHBondContact O-N 2.77Å; G89-L91 VanDerWaalsContact C-N 3.3Å; G89-L91 PolarHBondContact O-N 3.14Å; G89-T92 PolarHBondContact O-N 3.45Å; G89-V93 WeakPolarHBondContact O-CG2 3.35Å; G89-V93 PolarHBondContact O-N 2.99Å
90V80.6Confident76.7Confident103 Ų10356.1 Ų56.162%0.62430%0.299SS*.Hα-helixtrans-59.1-44.5173.7176.30000110.7T92 A94V90-T92 VanDerWaalsContact C-N 3.35Å; V90-T92 PolarHBondContact O-N 3.19Å; V90-A94 VanDerWaalsContact O-CB 3.27Å; V90-A94 WeakPolarHBondContact O-CB 3.13Å; V90-A94 PolarHBondContact O-N 2.89Å
91L86.8Confident77.9Confident54 Ų5458 Ų5828%0.28331%0.306SS..Hα-helixtrans-64.3-40178.1-174.168.2000112R87 G89 Y95 M532 I535R87-L91 VanDerWaalsContact O-CB 3.25Å; R87-L91 WeakPolarHBondContact O-CB 3.43Å; R87-L91 PolarHBondContact O-N 3.37Å; G89-L91 VanDerWaalsContact C-N 3.3Å; G89-L91 PolarHBondContact O-N 3.14Å; L91-Y95 VanDerWaalsContact O-CB 3.31Å; L91-Y95 WeakPolarHBondContact O-CB 3.47Å; L91-Y95 PolarHBondContact O-N 3.32Å; L91-M532 HydrophobicContact CB-SD 4.05Å; L91-M532 HydrophobicContact CD2-CE 4.39Å; L91-M532 HydrophobicContact CD2-SD 3.56Å; L91-M532 VanDerWaalsContact CD2-SD 3.56Å; L91-M532 HydrophobicContact CG-CE 3.93Å; L91-M532 HydrophobicContact CG-SD 3.61Å; L91-M532 WeakPolarHBondContact O-CE 3.21Å; L91-I535 HydrophobicContact CD2-CB 3.87Å; L91-I535 HydrophobicContact CD2-CD1 3.77Å; L91-I535 HydrophobicContact CD2-CG1 4.44Å; L91-I535 HydrophobicContact CD2-CG2 3.44Å; L91-I535 VanDerWaalsContact CD2-CG2 3.44Å; L91-I535 HydrophobicContact CG-CD1 4.47Å
92T87.2Confident79.7Confident0 Ų056.7 Ų56.70%030%0.298CS..Hα-helixtrans-63.1-49.3177.8-59.90000111.6L88 G89 V90 Y95 Y96 V428 M532L88-T92 WeakPolarHBondContact O-CB 3.47Å; L88-T92 PolarHBondContact O-N 3.31Å; L88-T92 PolarHBondContact O-OG1 3.02Å; G89-T92 PolarHBondContact O-N 3.45Å; V90-T92 VanDerWaalsContact C-N 3.35Å; V90-T92 PolarHBondContact O-N 3.19Å; T92-Y95 PolarHBondContact O-N 2.96Å; T92-Y96 HydrophobicContact CG2-CD2 3.87Å; T92-Y96 HydrophobicContact CG2-CE2 3.33Å; T92-Y96 WeakPolarHBondContact O-CD2 3.21Å; T92-Y96 PolarHBondContact O-N 3Å; T92-V428 HydrophobicContact CG2-CG1 4.06Å; T92-V428 HydrophobicContact CG2-CG2 4.27Å; T92-M532 PolarHBondContact OG1-SD 2.87Å
93V84.8Confident81.7Confident27 Ų2754.5 Ų54.516%0.16428%0.28CS..Hα-helixtrans-65.1-43.4178.9174.30000111.1L80 G89 Y95 Y96 L97 I435L80-V93 HydrophobicContact CD1-CG1 4.5Å; L80-V93 HydrophobicContact CD1-CG2 3.87Å; L80-V93 HydrophobicContact CD2-CG2 3.87Å; G89-V93 WeakPolarHBondContact O-CG2 3.35Å; G89-V93 PolarHBondContact O-N 2.99Å; V93-Y95 VanDerWaalsContact C-N 3.31Å; V93-Y95 PolarHBondContact O-N 3.09Å; V93-Y96 PolarHBondContact O-N 2.83Å; V93-L97 HydrophobicContact CG1-CD1 4.11Å; V93-L97 HydrophobicContact CG1-CG 4.39Å; V93-L97 WeakPolarHBondContact O-CG 3.48Å; V93-L97 PolarHBondContact O-N 3Å; V93-I435 HydrophobicContact CG2-CD1 4.43Å
94A87.9Confident83.9Confident54 Ų5447 Ų4745%0.44625%0.247SC..Hα-helixtrans-60.9-40.8176.500000112V90 W98V90-A94 VanDerWaalsContact O-CB 3.27Å; V90-A94 WeakPolarHBondContact O-CB 3.13Å; V90-A94 PolarHBondContact O-N 2.89Å; A94-W98 WeakPolarHBondContact O-CB 3.5Å; A94-W98 PolarHBondContact O-N 2.85Å; A94-W98 VanDerWaalsContact O-N 3.08Å
95Y92.5Very high86.3Confident18 Ų1845.2 Ų45.27%0.07123%0.233CC..Hα-helixtrans-61.1-48.3174.4174.4-89.3000111.5L91 T92 V93 W98 T99 L315 A528 I531 M532L91-Y95 VanDerWaalsContact O-CB 3.31Å; L91-Y95 WeakPolarHBondContact O-CB 3.47Å; L91-Y95 PolarHBondContact O-N 3.32Å; T92-Y95 PolarHBondContact O-N 2.96Å; V93-Y95 VanDerWaalsContact C-N 3.31Å; V93-Y95 PolarHBondContact O-N 3.09Å; Y95-W98 PolarHBondContact O-N 3.35Å; Y95-T99 HydrophobicContact CD1-CG2 4.17Å; Y95-T99 HydrophobicContact CD2-CG2 4.33Å; Y95-T99 HydrophobicContact CE1-CG2 3.64Å; Y95-T99 HydrophobicContact CE2-CG2 3.85Å; Y95-T99 HydrophobicContact CG-CG2 4.48Å; Y95-T99 VanDerWaalsContact CZ-CG2 3.48Å; Y95-T99 WeakPolarHBondContact O-CG2 3.36Å; Y95-T99 PolarHBondContact O-N 3.05Å; Y95-T99 PolarHBondContact O-OG1 3.09Å; Y95-L315 HydrophobicContact CD2-CD2 4.36Å; Y95-L315 HydrophobicContact CE2-CD2 3.49Å; Y95-L315 VanDerWaalsContact CE2-CD2 3.49Å; Y95-L315 HydrophobicContact CE2-CG 4.18Å; Y95-A528 HydrophobicContact CD1-CB 3.76Å; Y95-A528 HydrophobicContact CE1-CB 3.5Å; Y95-A528 VanDerWaalsContact CE1-CB 3.5Å; Y95-I531 HydrophobicContact CD2-CD1 4.39Å; Y95-I531 HydrophobicContact CE2-CD1 3.42Å; Y95-I531 VanDerWaalsContact CE2-CD1 3.42Å; Y95-I531 WeakPolarHBondContact OH-CD1 3.34Å; Y95-M532 HydrophobicContact CD1-CE 4.45Å; Y95-M532 HydrophobicContact CD2-CE 4.46Å; Y95-M532 HydrophobicContact CG-CE 3.91Å
96Y90.9Very high88.5Confident1 Ų144.5 Ų44.50%0.00423%0.227CC..Hα-helixtrans-62.5-46.2179.9-66.8-33.9000113T92 V93 W98 T99 T100 V428 V431 G432 I435 N436 A528T92-Y96 HydrophobicContact CG2-CD2 3.87Å; T92-Y96 HydrophobicContact CG2-CE2 3.33Å; T92-Y96 WeakPolarHBondContact O-CD2 3.21Å; T92-Y96 PolarHBondContact O-N 3Å; V93-Y96 PolarHBondContact O-N 2.83Å; Y96-W98 PolarHBondContact O-N 3.43Å; Y96-T99 PolarHBondContact O-N 3.31Å; Y96-T99 PolarHBondContact O-OG1 2.92Å; Y96-T99 VanDerWaalsContact O-OG1 3.11Å; Y96-T100 WeakPolarHBondContact O-CB 3.37Å; Y96-T100 PolarHBondContact O-N 3.28Å; Y96-T100 PolarHBondContact O-OG1 3.47Å; Y96-V428 WeakPolarHBondContact OH-CG1 3.29Å; Y96-V428 PolarHBondContact OH-O 3.01Å; Y96-V431 HydrophobicContact CE2-CG1 4.21Å; Y96-G432 VanDerWaalsContact CE2-CA 3.45Å; Y96-G432 VanDerWaalsContact CZ-CA 3.5Å; Y96-G432 WeakPolarHBondContact OH-CA 3.41Å; Y96-I435 HydrophobicContact CD2-CB 4.47Å; Y96-I435 HydrophobicContact CD2-CG2 4.48Å; Y96-N436 HydrophobicContact CD1-CB 3.4Å; Y96-N436 HydrophobicContact CD2-CB 4.01Å; Y96-N436 HydrophobicContact CE1-CB 3.62Å; Y96-N436 WeakPolarHBondContact CE1-ND2 3.23Å; Y96-N436 HydrophobicContact CE2-CB 4.21Å; Y96-N436 HydrophobicContact CG-CB 3.61Å; Y96-A528 HydrophobicContact CD1-CB 4.26Å; Y96-A528 HydrophobicContact CE1-CB 3.33Å
97L89.1Confident90Very high77 Ų7741.4 Ų41.440%0.40321%0.205SC..Hα-helixtrans-59.4-39.1176.1-68.5176.7000111.6V93 F101 I476V93-L97 HydrophobicContact CG1-CD1 4.11Å; V93-L97 HydrophobicContact CG1-CG 4.39Å; V93-L97 WeakPolarHBondContact O-CG 3.48Å; V93-L97 PolarHBondContact O-N 3Å; L97-F101 VanDerWaalsContact O-CB 3.29Å; L97-F101 WeakPolarHBondContact O-CB 3.23Å; L97-F101 PolarHBondContact O-N 3.37Å; L97-I476 HydrophobicContact CD2-CD1 3.75Å
98W92.6Very high90.8Very high141 Ų14134.9 Ų34.953%0.53418%0.182SC..Hα-helixtrans-67.8-46.4177.1-178.7-101.9000112.9A94 Y95 Y96 F101 M102A94-W98 WeakPolarHBondContact O-CB 3.5Å; A94-W98 PolarHBondContact O-N 2.85Å; A94-W98 VanDerWaalsContact O-N 3.08Å; Y95-W98 PolarHBondContact O-N 3.35Å; Y96-W98 PolarHBondContact O-N 3.43Å; W98-F101 PolarHBondContact O-N 3.23Å; W98-M102 HydrophobicContact CD2-CG 4.48Å; W98-M102 HydrophobicContact CH2-CE 4.11Å; W98-M102 HydrophobicContact CZ2-CE 4.11Å; W98-M102 HydrophobicContact CZ2-CG 4.28Å; W98-M102 HydrophobicContact CZ2-SD 4.06Å; W98-M102 VanDerWaalsContact O-CG 3.32Å; W98-M102 WeakPolarHBondContact O-CG 3.41Å; W98-M102 PolarHBondContact O-N 2.81Å
99T94.9Very high91.5Very high2 Ų240.8 Ų40.81%0.01221%0.207CC..Hα-helixtrans-66.5-38.8-179.853.30000112.2Y95 Y96 M102 A103 H307 L312 L315 N436 D438Y95-T99 HydrophobicContact CD1-CG2 4.17Å; Y95-T99 HydrophobicContact CD2-CG2 4.33Å; Y95-T99 HydrophobicContact CE1-CG2 3.64Å; Y95-T99 HydrophobicContact CE2-CG2 3.85Å; Y95-T99 HydrophobicContact CG-CG2 4.48Å; Y95-T99 VanDerWaalsContact CZ-CG2 3.48Å; Y95-T99 WeakPolarHBondContact O-CG2 3.36Å; Y95-T99 PolarHBondContact O-N 3.05Å; Y95-T99 PolarHBondContact O-OG1 3.09Å; Y96-T99 PolarHBondContact O-N 3.31Å; Y96-T99 PolarHBondContact O-OG1 2.92Å; Y96-T99 VanDerWaalsContact O-OG1 3.11Å; T99-M102 PolarHBondContact O-N 3.32Å; T99-A103 PolarHBondContact O-N 2.84Å; T99-H307 PolarHBondContact O-CE1 3.45Å; T99-L312 HydrophobicContact CG2-CD2 3.89Å; T99-L315 HydrophobicContact CG2-CD2 3.67Å; T99-N436 PolarHBondContact OG1-OD1 3.5Å; T99-D438 PolarHBondContact OG1-OD1 2.92Å
100T93.4Very high92.2Very high3 Ų342 Ų422%0.01821%0.213CC..Hα-helixtrans-67.2-43.3177.4-58.60000111.2Y96 M102 A103 V104 D438 A441 T472 S475Y96-T100 WeakPolarHBondContact O-CB 3.37Å; Y96-T100 PolarHBondContact O-N 3.28Å; Y96-T100 PolarHBondContact O-OG1 3.47Å; T100-M102 PolarHBondContact O-N 3.47Å; T100-A103 WeakPolarHBondContact O-CB 3.46Å; T100-A103 PolarHBondContact O-N 3.14Å; T100-V104 WeakPolarHBondContact O-CG2 3.48Å; T100-V104 PolarHBondContact O-N 3.2Å; T100-D438 WeakPolarHBondContact CA-OD1 3.24Å; T100-D438 WeakPolarHBondContact CB-OD1 3.38Å; T100-D438 PolarHBondContact N-OD1 3.31Å; T100-D438 PolarHBondContact OG1-OD1 3.01Å; T100-A441 HydrophobicContact CG2-CB 3.48Å; T100-A441 VanDerWaalsContact CG2-CB 3.48Å; T100-T472 HydrophobicContact CG2-CG2 4.02Å; T100-S475 WeakPolarHBondContact CG2-OG 3.46Å
101F93.4Very high92.9Very high76 Ų7637.1 Ų37.133%0.33318%0.183SC..Hα-helixtrans-60.5-43.6173.9-177.9-106.7000111.9L97 W98 A103 V104 I105L97-F101 VanDerWaalsContact O-CB 3.29Å; L97-F101 WeakPolarHBondContact O-CB 3.23Å; L97-F101 PolarHBondContact O-N 3.37Å; W98-F101 PolarHBondContact O-N 3.23Å; F101-A103 VanDerWaalsContact C-N 3.34Å; F101-A103 PolarHBondContact O-N 2.93Å; F101-V104 WeakPolarHBondContact O-CB 3.36Å; F101-V104 PolarHBondContact O-N 3.09Å; F101-I105 HydrophobicContact CD1-CG1 4.41Å; F101-I105 HydrophobicContact CE1-CD1 4.42Å; F101-I105 HydrophobicContact CE1-CG1 4.05Å; F101-I105 HydrophobicContact CE2-CD1 4.34Å; F101-I105 HydrophobicContact CZ-CD1 4Å; F101-I105 HydrophobicContact CZ-CG1 4.12Å; F101-I105 WeakPolarHBondContact O-CG1 3.24Å; F101-I105 PolarHBondContact O-N 2.9Å
102M95.1Very high93.1Very high53 Ų5336.9 Ų36.926%0.26119%0.186SC..Hα-helixtrans-60.7-40.5173.9-71.9-68.79900112.6W98 T99 T100 V104 I105 V106W98-M102 HydrophobicContact CD2-CG 4.48Å; W98-M102 HydrophobicContact CH2-CE 4.11Å; W98-M102 HydrophobicContact CZ2-CE 4.11Å; W98-M102 HydrophobicContact CZ2-CG 4.28Å; W98-M102 HydrophobicContact CZ2-SD 4.06Å; W98-M102 VanDerWaalsContact O-CG 3.32Å; W98-M102 WeakPolarHBondContact O-CG 3.41Å; W98-M102 PolarHBondContact O-N 2.81Å; T99-M102 PolarHBondContact O-N 3.32Å; T100-M102 PolarHBondContact O-N 3.47Å; M102-V104 VanDerWaalsContact C-N 3.32Å; M102-V104 PolarHBondContact O-N 2.95Å; M102-I105 HydrophobicContact CE-CG1 4.42Å; M102-I105 PolarHBondContact O-N 2.96Å; M102-V106 WeakPolarHBondContact O-CG2 3.44Å; M102-V106 PolarHBondContact O-N 3.39Å
103A96.3Very high93.3Very high0 Ų041.7 Ų41.70%021%0.211CC..Hα-helixtrans-60.5-41.8176.100000111.9T99 T100 F101 V106 G107 D438 L442T99-A103 PolarHBondContact O-N 2.84Å; T100-A103 WeakPolarHBondContact O-CB 3.46Å; T100-A103 PolarHBondContact O-N 3.14Å; F101-A103 VanDerWaalsContact C-N 3.34Å; F101-A103 PolarHBondContact O-N 2.93Å; A103-V106 WeakPolarHBondContact O-CB 3.34Å; A103-V106 PolarHBondContact O-N 2.85Å; A103-G107 PolarHBondContact O-N 3.37Å; A103-D438 HydrophobicContact CB-CB 4Å; A103-L442 HydrophobicContact CB-CB 4.22Å; A103-L442 WeakPolarHBondContact O-CD1 3.34Å; A103-L442 WeakPolarHBondContact O-CG 3.36Å
104V96.3Very high93.6Very high0 Ų042.9 Ų42.90%022%0.216CC..Hα-helixtrans-63.3-47.1176.7168.70000111.3T100 F101 M102 V106 G107 I108 A441 A445 S468 A471T100-V104 WeakPolarHBondContact O-CG2 3.48Å; T100-V104 PolarHBondContact O-N 3.2Å; F101-V104 WeakPolarHBondContact O-CB 3.36Å; F101-V104 PolarHBondContact O-N 3.09Å; M102-V104 VanDerWaalsContact C-N 3.32Å; M102-V104 PolarHBondContact O-N 2.95Å; V104-V106 VanDerWaalsContact C-N 3.28Å; V104-V106 PolarHBondContact O-N 2.89Å; V104-G107 WeakPolarHBondContact O-CA 3.49Å; V104-G107 PolarHBondContact O-N 2.97Å; V104-G107 VanDerWaalsContact O-N 3.08Å; V104-I108 HydrophobicContact CG1-CD1 3.89Å; V104-I108 HydrophobicContact CG1-CG1 4.45Å; V104-I108 WeakPolarHBondContact O-CG1 3.41Å; V104-I108 PolarHBondContact O-N 3.13Å; V104-A441 HydrophobicContact CG2-CB 3.48Å; V104-A441 VanDerWaalsContact CG2-CB 3.48Å; V104-A445 HydrophobicContact CG1-CB 4.01Å; V104-S468 WeakPolarHBondContact CG1-OG 3.33Å; V104-A471 HydrophobicContact CG2-CB 4.26Å
105I95.8Very high93.8Very high71 Ų7145 Ų4536%0.36422%0.216SC..Hα-helixtrans-59.4-41.2176.8-63.6-56.5000111.1F101 M102 G107 I108 F109F101-I105 HydrophobicContact CD1-CG1 4.41Å; F101-I105 HydrophobicContact CE1-CD1 4.42Å; F101-I105 HydrophobicContact CE1-CG1 4.05Å; F101-I105 HydrophobicContact CE2-CD1 4.34Å; F101-I105 HydrophobicContact CZ-CD1 4Å; F101-I105 HydrophobicContact CZ-CG1 4.12Å; F101-I105 WeakPolarHBondContact O-CG1 3.24Å; F101-I105 PolarHBondContact O-N 2.9Å; M102-I105 HydrophobicContact CE-CG1 4.42Å; M102-I105 PolarHBondContact O-N 2.96Å; I105-G107 VanDerWaalsContact C-N 3.34Å; I105-G107 PolarHBondContact O-N 3.33Å; I105-I108 PolarHBondContact O-N 2.86Å; I105-F109 WeakPolarHBondContact O-CB 3.3Å; I105-F109 PolarHBondContact O-N 3.37Å
106V96.7Very high93.6Very high20 Ų2044.1 Ų44.112%0.12121%0.212CC..Hα-helixtrans-62.2-42.6175.1172.10000111.3M102 A103 V104 F109 M110 L306 I311 L442M102-V106 WeakPolarHBondContact O-CG2 3.44Å; M102-V106 PolarHBondContact O-N 3.39Å; A103-V106 WeakPolarHBondContact O-CB 3.34Å; A103-V106 PolarHBondContact O-N 2.85Å; V104-V106 VanDerWaalsContact C-N 3.28Å; V104-V106 PolarHBondContact O-N 2.89Å; V106-F109 PolarHBondContact O-N 3.38Å; V106-M110 VanDerWaalsContact O-CB 3.3Å; V106-M110 WeakPolarHBondContact O-CB 3.39Å; V106-M110 PolarHBondContact O-N 3.23Å; V106-L306 HydrophobicContact CG1-CB 4.42Å; V106-L306 HydrophobicContact CG1-CD2 3.88Å; V106-L306 HydrophobicContact CG1-CG 4.27Å; V106-I311 HydrophobicContact CB-CD1 4.39Å; V106-I311 HydrophobicContact CG1-CD1 4.39Å; V106-I311 HydrophobicContact CG2-CD1 3.2Å; V106-L442 HydrophobicContact CB-CD1 4.47Å; V106-L442 HydrophobicContact CG1-CD1 4.23Å
107G96.6Very high93.1Very high0 Ų044 Ų440%021%0.212CC..Hα-helixtrans-58.7-49.9174.500000112.5A103 V104 I105 F109 M110 V111 V446A103-G107 PolarHBondContact O-N 3.37Å; V104-G107 WeakPolarHBondContact O-CA 3.49Å; V104-G107 PolarHBondContact O-N 2.97Å; V104-G107 VanDerWaalsContact O-N 3.08Å; I105-G107 VanDerWaalsContact C-N 3.34Å; I105-G107 PolarHBondContact O-N 3.33Å; G107-F109 VanDerWaalsContact C-N 3.35Å; G107-F109 PolarHBondContact O-N 3.46Å; G107-M110 PolarHBondContact O-N 3.47Å; G107-V111 WeakPolarHBondContact O-CG1 3.24Å; G107-V111 PolarHBondContact O-N 2.89Å; G107-V446 VanDerWaalsContact CA-CG2 3.48Å; G107-V446 VanDerWaalsContact O-CG2 3.3Å; G107-V446 WeakPolarHBondContact O-CG2 3.23Å
108I95.4Very high92.4Very high20 Ų2042 Ų4210%0.10321%0.21CC..Hα-helixtrans-59.7-45.1177.5-65.2170.2000110.5V104 I105 M110 V111 S112 A445 I449 I464V104-I108 HydrophobicContact CG1-CD1 3.89Å; V104-I108 HydrophobicContact CG1-CG1 4.45Å; V104-I108 WeakPolarHBondContact O-CG1 3.41Å; V104-I108 PolarHBondContact O-N 3.13Å; I105-I108 PolarHBondContact O-N 2.86Å; I108-M110 PolarHBondContact O-N 2.99Å; I108-V111 VanDerWaalsContact O-CG1 3.3Å; I108-V111 WeakPolarHBondContact O-CG1 3.35Å; I108-S112 VanDerWaalsContact O-CB 3.22Å; I108-S112 WeakPolarHBondContact O-CB 3.36Å; I108-S112 PolarHBondContact O-N 2.99Å; I108-S112 PolarHBondContact O-OG 3.07Å; I108-A445 HydrophobicContact CG1-CB 4.05Å; I108-I449 HydrophobicContact CB-CD1 4.2Å; I108-I449 HydrophobicContact CG1-CD1 3.85Å; I108-I449 HydrophobicContact CG2-CD1 4Å; I108-I464 HydrophobicContact CD1-CG2 4.14Å; I108-I464 HydrophobicContact CG2-CG2 3.99Å
109F95.3Very high90.7Very high133 Ų13337.2 Ų37.258%0.58320%0.201SC*.Hα-helixtrans-63.3-43.7177.8-168.7-109.5000111.8I105 V106 G107 S112 I113I105-F109 WeakPolarHBondContact O-CB 3.3Å; I105-F109 PolarHBondContact O-N 3.37Å; V106-F109 PolarHBondContact O-N 3.38Å; G107-F109 VanDerWaalsContact C-N 3.35Å; G107-F109 PolarHBondContact O-N 3.46Å; F109-S112 PolarHBondContact O-N 2.88Å; F109-I113 HydrophobicContact CD1-CD1 3.53Å; F109-I113 HydrophobicContact CD2-CD1 4.34Å; F109-I113 HydrophobicContact CE1-CD1 3.15Å; F109-I113 HydrophobicContact CE1-CG1 4.41Å; F109-I113 HydrophobicContact CE2-CD1 4.02Å; F109-I113 HydrophobicContact CG-CD1 4.13Å; F109-I113 HydrophobicContact CZ-CD1 3.43Å; F109-I113 VanDerWaalsContact CZ-CD1 3.43Å; F109-I113 HydrophobicContact CZ-CG1 4.47Å; F109-I113 WeakPolarHBondContact O-CG1 3.46Å; F109-I113 PolarHBondContact O-N 3.17Å
110M95.1Very high88.7Confident30 Ų3038.6 Ų38.615%0.14821%0.212CC..Hα-helixtrans-64.8-44.4-178.9-166.465.48000112V106 G107 I108 I113 I114 T299 C302 L306V106-M110 VanDerWaalsContact O-CB 3.3Å; V106-M110 WeakPolarHBondContact O-CB 3.39Å; V106-M110 PolarHBondContact O-N 3.23Å; G107-M110 PolarHBondContact O-N 3.47Å; I108-M110 PolarHBondContact O-N 2.99Å; M110-I113 PolarHBondContact O-N 3.37Å; M110-I114 HydrophobicContact CG-CD1 3.92Å; M110-I114 WeakPolarHBondContact O-CG1 3.36Å; M110-I114 PolarHBondContact O-N 3.24Å; M110-I114 HydrophobicContact SD-CD1 3.72Å; M110-I114 HydrophobicContact SD-CG1 4.43Å; M110-T299 HydrophobicContact CB-CG2 4.24Å; M110-T299 HydrophobicContact CG-CG2 3.77Å; M110-C302 HydrophobicContact CE-CB 3.99Å; M110-C302 HydrophobicContact SD-CB 4.19Å; M110-L306 HydrophobicContact CE-CB 4.24Å; M110-L306 HydrophobicContact CE-CD2 3.7Å
111V95.1Very high86.5Confident0 Ų043.3 Ų43.30%023%0.234CC..Hα-helixtrans-71.1-32.6179.2700000112.7G107 I108 I113 H115 P116 T299 V446 I449G107-V111 WeakPolarHBondContact O-CG1 3.24Å; G107-V111 PolarHBondContact O-N 2.89Å; I108-V111 VanDerWaalsContact O-CG1 3.3Å; I108-V111 WeakPolarHBondContact O-CG1 3.35Å; V111-I113 VanDerWaalsContact C-N 3.34Å; V111-H115 WeakPolarHBondContact O-CA 3.32Å; V111-H115 PolarHBondContact O-N 3.37Å; V111-P116 HydrophobicContact CG2-CG 3.84Å; V111-P116 WeakPolarHBondContact O-CD 3.3Å; V111-T299 HydrophobicContact CB-CG2 4.03Å; V111-T299 HydrophobicContact CG2-CG2 4.45Å; V111-V446 HydrophobicContact CB-CB 4.47Å; V111-V446 HydrophobicContact CB-CG1 4.08Å; V111-V446 HydrophobicContact CB-CG2 4.38Å; V111-V446 HydrophobicContact CG2-CG1 4.15Å; V111-I449 HydrophobicContact CB-CG2 4.46Å; V111-I449 HydrophobicContact CG1-CB 3.76Å; V111-I449 HydrophobicContact CG1-CD1 3.57Å; V111-I449 HydrophobicContact CG1-CG1 4.25Å; V111-I449 HydrophobicContact CG1-CG2 3.69Å; V111-I449 HydrophobicContact CG2-CB 4.13Å; V111-I449 HydrophobicContact CG2-CG2 3.9Å
112S91Very high84.1Confident49 Ų4949.3 Ų49.334%0.34326%0.26SS..Hα-helixtrans-78.4-13.2174.7-62.30000113.6I108 F109 H115I108-S112 VanDerWaalsContact O-CB 3.22Å; I108-S112 WeakPolarHBondContact O-CB 3.36Å; I108-S112 PolarHBondContact O-N 2.99Å; I108-S112 PolarHBondContact O-OG 3.07Å; F109-S112 PolarHBondContact O-N 2.88Å; S112-H115 PolarHBondContact O-CE1 3.47Å; S112-H115 PolarHBondContact O-ND1 3.44Å
113I91.6Very high81.7Confident101 Ų10154.8 Ų54.852%0.51829%0.285SS..Hα-helixtrans-89-51.2169.5-73.2171.7000109.8F109 M110 V111 H115F109-I113 HydrophobicContact CD1-CD1 3.53Å; F109-I113 HydrophobicContact CD2-CD1 4.34Å; F109-I113 HydrophobicContact CE1-CD1 3.15Å; F109-I113 HydrophobicContact CE1-CG1 4.41Å; F109-I113 HydrophobicContact CE2-CD1 4.02Å; F109-I113 HydrophobicContact CG-CD1 4.13Å; F109-I113 HydrophobicContact CZ-CD1 3.43Å; F109-I113 VanDerWaalsContact CZ-CD1 3.43Å; F109-I113 HydrophobicContact CZ-CG1 4.47Å; F109-I113 WeakPolarHBondContact O-CG1 3.46Å; F109-I113 PolarHBondContact O-N 3.17Å; M110-I113 PolarHBondContact O-N 3.37Å; V111-I113 VanDerWaalsContact C-N 3.34Å; I113-H115 VanDerWaalsContact C-N 3.35Å; I113-H115 PolarHBondContact O-N 3.48Å
114I91.5Very high79.1Confident52 Ų5261 Ų6127%0.26732%0.323SS..Hα-helixtrans-74.6-28.6-172.3-62.2175.6000111.5M110 F295 T299M110-I114 HydrophobicContact CG-CD1 3.92Å; M110-I114 WeakPolarHBondContact O-CG1 3.36Å; M110-I114 PolarHBondContact O-N 3.24Å; M110-I114 HydrophobicContact SD-CD1 3.72Å; M110-I114 HydrophobicContact SD-CG1 4.43Å; I114-F295 HydrophobicContact CG2-CD1 4.39Å; I114-T299 HydrophobicContact CD1-CG2 4.18Å; I114-T299 WeakPolarHBondContact CG2-OG1 3.09Å
115H90.4Very high76.3Confident97 Ų9767.2 Ų67.245%0.44936%0.361SS..  trans4757.4-177.3-77.193.8000113.5V111 S112 I113 G117 G118 A119 Q453V111-H115 WeakPolarHBondContact O-CA 3.32Å; V111-H115 PolarHBondContact O-N 3.37Å; S112-H115 PolarHBondContact O-CE1 3.47Å; S112-H115 PolarHBondContact O-ND1 3.44Å; I113-H115 VanDerWaalsContact C-N 3.35Å; I113-H115 PolarHBondContact O-N 3.48Å; H115-G117 VanDerWaalsContact C-N 3.26Å; H115-G117 PolarHBondContact O-N 3.39Å; H115-G118 PolarHBondContact O-N 2.88Å; H115-G118 VanDerWaalsContact O-N 3.1Å; H115-A119 PolarHBondContact O-N 3.4Å; H115-Q453 PolarHBondContact CD2-NE2 2.98Å
116P89Confident73.6Confident0 Ų072.5 Ų72.50%038%0.384CS..THydrogen-bonded Turntrans-61.1-29.2-172.723.8-33.4000114.3V111 F295 F450V111-P116 HydrophobicContact CG2-CG 3.84Å; V111-P116 WeakPolarHBondContact O-CD 3.3Å; P116-F295 HydrophobicContact CB-CB 3.77Å; P116-F450 HydrophobicContact CB-CD2 3.98Å; P116-F450 HydrophobicContact CB-CE2 4.26Å; P116-F450 HydrophobicContact CG-CD2 3.86Å
117G81.6Confident70.8Confident0 Ų080.2 Ų80.20%042%0.419CS..THydrogen-bonded Turntrans-76.6-26.417800000114H115 K292H115-G117 VanDerWaalsContact C-N 3.26Å; H115-G117 PolarHBondContact O-N 3.39Å; G117-K292 WeakPolarHBondContact O-CD 3.28Å; G117-K292 WeakPolarHBondContact O-CE 3.36Å; G117-K292 PolarHBondContact O-NZ 3.12Å; G117-K292 VanDerWaalsContact O-NZ 3.11Å
118G73Confident68.1Low35 Ų3584.4 Ų84.436%0.36145%0.448SS..THydrogen-bonded Turntrans-92.7-21.2177.800000114.2H115 A120 Q121H115-G118 PolarHBondContact O-N 2.88Å; H115-G118 VanDerWaalsContact O-N 3.1Å; G118-A120 PolarHBondContact O-N 2.93Å; G118-Q121 CarbonylContact O-C 3.54Å; G118-Q121 PolarHBondContact O-N 2.95Å
119A57.9Low65.5Low40 Ų4087.3 Ų87.333%0.33148%0.483SS..THydrogen-bonded Turntrans-61.2-7.7-176.500000115.8H115 F295H115-A119 PolarHBondContact O-N 3.4Å; A119-F295 HydrophobicContact CB-CD2 4.27Å; A119-F295 HydrophobicContact CB-CG 4.39Å
120A52.6Low63.2Low31 Ų3186.6 Ų86.626%0.25648%0.48SS..THydrogen-bonded Turntrans-106.6-4.9172.600000114.4G118 K292G118-A120 PolarHBondContact O-N 2.93Å; A120-K292 HydrophobicContact CB-CD 4.24Å; A120-K292 HydrophobicContact CB-CG 3.55Å
121Q47.3Very low61Low101 Ų10190 Ų9047%0.47250%0.504SS..  trans-111.986.4170.7-87.6-178.3-33.100109G118 N456G118-Q121 CarbonylContact O-C 3.54Å; G118-Q121 PolarHBondContact O-N 2.95Å; Q121-N456 PolarHBondContact OE1-OD1 3.07Å
122K43.3Very low58.9Low202 Ų20297.5 Ų97.588%0.87854%0.543SS*.  trans-92.5114.3147.8-136.2178.4-177-176.40104
123E44.9Very low57.2Low169 Ų16997.3 Ų97.379%0.7954%0.537SS*.SBendtrans116.2126171.3-58.6-166.3-175.200117
124T40.4Very low56.1Low131 Ų13195.5 Ų95.580%0.80453%0.533SS*.  trans65.885.8171.823.30000118
125T38.1Very low54.9Low129 Ų12995.8 Ų95.879%0.79154%0.54SS*.  trans-89.894.7157.8-51.40000108.6Q127T125-Q127 PolarHBondContact O-N 3.02Å
126E39.7Very low54Low182 Ų18293.7 Ų93.785%0.8554%0.54SS*.  trans-69120.8151-79.4-164.3155.200107.3S128E126-S128 PolarHBondContact O-N 3.38Å
127Q38Very low53.4Low182 Ų18295.1 Ų95.185%0.8555%0.547SS*.  trans-61.7105.4177-76.1175.5-29.400109.2T125 G129T125-Q127 PolarHBondContact O-N 3.02Å; Q127-G129 PolarHBondContact O-N 3.04Å
128S39.5Very low52.8Low88 Ų8895.6 Ų95.662%0.61555%0.551SS**  trans-65105.8167.8-169.40000107.6E126 K130E126-S128 PolarHBondContact O-N 3.38Å; S128-K130 PolarHBondContact O-N 2.83Å
129G40.3Very low52.7Low82 Ų8297.4 Ų97.485%0.84555%0.552SS**  trans-67.360.1178.300000113.3Q127Q127-G129 PolarHBondContact O-N 3.04Å
130K46.3Very low53.8Low118 Ų11899.1 Ų99.151%0.51356%0.555SS.*  trans-79.6133.1161.2-73.8175.6-177.9160.30107.3S128 I132 Y457S128-K130 PolarHBondContact O-N 2.83Å; K130-I132 PolarHBondContact O-N 2.83Å; K130-Y457 VanDerWaalsContact NZ-CE1 3.3Å
131P49.1Very low55.1Low100 Ų10098.1 Ų98.165%0.64955%0.546SS*.  trans-60.2125.7-174.623.4-31.9000109.7M133P131-M133 PolarHBondContact O-N 3.34Å
132I51.7Low56.6Low159 Ų15994 Ų9482%0.81553%0.527SS*.  trans-63.1102.7173.3-59.2166.8000106.3K130K130-I132 PolarHBondContact O-N 2.83Å
133M55.5Low58.5Low44 Ų4488.4 Ų88.422%0.21751%0.505CS..  trans-61.2137.3164-83.8-179.271.100107.5P131 S135 D137P131-M133 PolarHBondContact O-N 3.34Å; M133-S135 PolarHBondContact O-N 3.5Å; M133-D137 HydrophobicContact CE-CB 4.19Å
134S67Low60.5Low64 Ų6484.8 Ų84.845%0.44849%0.485SS..  trans-60.9135.5169178.20000109A136 D137 A138S134-A136 PolarHBondContact O-N 2.89Å; S134-A136 VanDerWaalsContact O-N 3.07Å; S134-D137 WeakPolarHBondContact O-CB 3.46Å; S134-D137 PolarHBondContact O-N 3.42Å; S134-A138 PolarHBondContact O-N 3.3Å
135S66.9Low62.6Low57 Ų5779.4 Ų79.440%0.39945%0.451SS..Hα-helixtrans-57.4-26.8178.2-46.70000112.9M133 L139 D460M133-S135 PolarHBondContact O-N 3.5Å; S135-L139 PolarHBondContact O-N 3.35Å; S135-L139 VanDerWaalsContact O-N 3.09Å; S135-D460 VanDerWaalsContact CA-OD2 3.24Å; S135-D460 WeakPolarHBondContact CA-OD2 3.38Å; S135-D460 WeakPolarHBondContact CB-OD1 3.36Å; S135-D460 PolarHBondContact OG-OD1 3.34Å
136A72Confident64.8Low54 Ų5475.6 Ų75.645%0.44643%0.425SS..Hα-helixtrans-66.3-43.117300000112.1S134 A138 L139 L140S134-A136 PolarHBondContact O-N 2.89Å; S134-A136 VanDerWaalsContact O-N 3.07Å; A136-A138 VanDerWaalsContact C-N 3.32Å; A136-A138 PolarHBondContact O-N 3.39Å; A136-L139 PolarHBondContact O-N 3.38Å; A136-L140 WeakPolarHBondContact O-CB 3.44Å; A136-L140 VanDerWaalsContact O-CG 3.26Å; A136-L140 WeakPolarHBondContact O-CG 3.17Å; A136-L140 PolarHBondContact O-N 2.91Å
137D75.4Confident67.2Low29 Ų2973 Ų7316%0.15541%0.411CS..Hα-helixtrans-65.9-37.9178.6-75.1-18.5000110.9M133 S134 L140 D141 T161 S212M133-D137 HydrophobicContact CE-CB 4.19Å; S134-D137 WeakPolarHBondContact O-CB 3.46Å; S134-D137 PolarHBondContact O-N 3.42Å; D137-L140 PolarHBondContact O-N 3.04Å; D137-D141 WeakPolarHBondContact O-CB 3.49Å; D137-D141 VanDerWaalsContact O-CG 3.24Å; D137-D141 PolarHBondContact O-N 2.82Å; D137-T161 HydrophobicContact CB-CG2 4.43Å; D137-S212 PolarHBondContact OD2-OG 2.97Å
138A70.1Confident69.6Low10 Ų1065.8 Ų65.88%0.08338%0.38CS..Hα-helixtrans-64.1-41.8174.500000112.6S134 A136 D141 L142 D460S134-A138 PolarHBondContact O-N 3.3Å; A136-A138 VanDerWaalsContact C-N 3.32Å; A136-A138 PolarHBondContact O-N 3.39Å; A138-D141 PolarHBondContact O-N 3.19Å; A138-L142 PolarHBondContact O-N 2.8Å; A138-D460 WeakPolarHBondContact CB-OD2 3.47Å
139L70.6Confident72.1Confident73 Ų7367 Ų6738%0.38240%0.395SS..Hα-helixtrans-65.9-40.9175.4-178.565.4000111.9S135 A136 L142 I143S135-L139 PolarHBondContact O-N 3.35Å; S135-L139 VanDerWaalsContact O-N 3.09Å; A136-L139 PolarHBondContact O-N 3.38Å; L139-L142 HydrophobicContact CD1-CD2 4.24Å; L139-L142 WeakPolarHBondContact O-CB 2.77Å; L139-L142 PolarHBondContact O-N 2.92Å; L139-I143 WeakPolarHBondContact O-CG1 3.36Å; L139-I143 PolarHBondContact O-N 2.76Å; L139-I143 VanDerWaalsContact O-N 3.13Å
140L81.2Confident74.6Confident77 Ų7766.9 Ų66.940%0.40338%0.375SS..Hα-helixtrans-66.2-39.8176.7-69.5175.4000111.4A136 D137 L142 I143 R144A136-L140 WeakPolarHBondContact O-CB 3.44Å; A136-L140 VanDerWaalsContact O-CG 3.26Å; A136-L140 WeakPolarHBondContact O-CG 3.17Å; A136-L140 PolarHBondContact O-N 2.91Å; D137-L140 PolarHBondContact O-N 3.04Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L140-I143 PolarHBondContact O-N 3.22Å; L140-R144 VanDerWaalsContact O-CG 3.25Å; L140-R144 WeakPolarHBondContact O-CG 3.29Å; L140-R144 PolarHBondContact O-N 2.85Å
141D80.8Confident76.7Confident10 Ų1064.6 Ų64.65%0.05337%0.368CS..Hα-helixtrans-63.7-38.5174.2-76-3.3000112.1D137 A138 R144 N145 Y159 T161D137-D141 WeakPolarHBondContact O-CB 3.49Å; D137-D141 VanDerWaalsContact O-CG 3.24Å; D137-D141 PolarHBondContact O-N 2.82Å; A138-D141 PolarHBondContact O-N 3.19Å; D141-R144 PolarHBondContact O-N 3.28Å; D141-R144 IonicContact OD1-NH1 2.85Å; D141-R144 PolarHBondContact OD1-NH1 2.97Å; D141-N145 WeakPolarHBondContact O-CB 3.43Å; D141-N145 PolarHBondContact O-N 3.47Å; D141-N145 PolarHBondContact O-ND2 3.32Å; D141-Y159 WeakPolarHBondContact OD1-CD1 3.4Å; D141-Y159 VanDerWaalsContact OD1-CE1 3.28Å; D141-Y159 WeakPolarHBondContact OD1-CE1 3.34Å; D141-T161 VanDerWaalsContact CG-OG1 3.3Å; D141-T161 PolarHBondContact OD1-OG1 2.85Å; D141-T161 WeakPolarHBondContact OD2-CB 3.35Å; D141-T161 PolarHBondContact OD2-N 2.88Å; D141-T161 PolarHBondContact OD2-OG1 2.68Å
142L78.4Confident78.8Confident15 Ų1564.7 Ų64.78%0.07937%0.367CS..Hα-helixtrans-57.1-49.9172.7168.465.8000111.3A138 L139 L140 N145 M146 L223 I465 T466 I469A138-L142 PolarHBondContact O-N 2.8Å; L139-L142 HydrophobicContact CD1-CD2 4.24Å; L139-L142 WeakPolarHBondContact O-CB 2.77Å; L139-L142 PolarHBondContact O-N 2.92Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L142-N145 PolarHBondContact O-N 3.12Å; L142-M146 PolarHBondContact O-N 3.41Å; L142-L223 HydrophobicContact CD1-CD2 3.27Å; L142-L223 HydrophobicContact CG-CD2 4.48Å; L142-I465 HydrophobicContact CD2-CB 4.3Å; L142-I465 HydrophobicContact CD2-CG2 3.67Å; L142-T466 HydrophobicContact CD1-CG2 3.95Å; L142-T466 WeakPolarHBondContact CD1-OG1 3.39Å; L142-I469 HydrophobicContact CD2-CD1 4.49Å
143I83.4Confident80.7Confident83 Ų8360.5 Ų60.543%0.42634%0.344SS..Hα-helixtrans-64.8-42.9-179.5-64.8168.6000110.9L139 L140 N145 M146 F147L139-I143 WeakPolarHBondContact O-CG1 3.36Å; L139-I143 PolarHBondContact O-N 2.76Å; L139-I143 VanDerWaalsContact O-N 3.13Å; L140-I143 PolarHBondContact O-N 3.22Å; I143-N145 VanDerWaalsContact C-N 3.28Å; I143-N145 PolarHBondContact O-N 2.9Å; I143-M146 WeakPolarHBondContact O-CB 3.44Å; I143-M146 PolarHBondContact O-N 2.95Å; I143-M146 VanDerWaalsContact O-N 3.16Å; I143-F147 PolarHBondContact O-N 3.4Å
144R86.9Confident82.3Confident93 Ų9358.6 Ų58.635%0.35134%0.335SS..Hα-helixtrans-61.2-38176.2-70.4170.5-170.3134.6-1.5111.8L140 D141 M146 F147 Y159 T161L140-R144 VanDerWaalsContact O-CG 3.25Å; L140-R144 WeakPolarHBondContact O-CG 3.29Å; L140-R144 PolarHBondContact O-N 2.85Å; D141-R144 PolarHBondContact O-N 3.28Å; D141-R144 IonicContact OD1-NH1 2.85Å; D141-R144 PolarHBondContact OD1-NH1 2.97Å; R144-M146 VanDerWaalsContact C-N 3.35Å; R144-F147 CarbonylContact O-C 3.11Å; R144-F147 VanDerWaalsContact O-C 3.23Å; R144-F147 PolarHBondContact O-N 2.93Å; R144-F147 VanDerWaalsContact O-O 3.06Å; R144-Y159 HydrophobicContact CB-CD1 4.19Å; R144-Y159 HydrophobicContact CB-CG 4.26Å; R144-T161 PolarHBondContact NH1-OG1 3.06Å
145N83.7Confident83.2Confident18 Ų1857.7 Ų57.710%0.09633%0.327CS..Hα-helixtrans-73.6-25.2176.9-76.9-46.8000113D141 L142 I143 F147 Y159 N221 L223 G224D141-N145 WeakPolarHBondContact O-CB 3.43Å; D141-N145 PolarHBondContact O-N 3.47Å; D141-N145 PolarHBondContact O-ND2 3.32Å; L142-N145 PolarHBondContact O-N 3.12Å; I143-N145 VanDerWaalsContact C-N 3.28Å; I143-N145 PolarHBondContact O-N 2.9Å; N145-F147 VanDerWaalsContact C-N 3.27Å; N145-F147 PolarHBondContact O-N 3.35Å; N145-Y159 PolarHBondContact ND2-O 3.44Å; N145-Y159 VanDerWaalsContact OD1-CB 3.31Å; N145-Y159 WeakPolarHBondContact OD1-CB 3.44Å; N145-Y159 PolarHBondContact OD1-N 3.11Å; N145-N221 PolarHBondContact O-ND2 3.23Å; N145-N221 PolarHBondContact O-OD1 2.92Å; N145-L223 HydrophobicContact CB-CD2 4.34Å; N145-G224 WeakPolarHBondContact O-CA 3.31Å; N145-G224 PolarHBondContact O-N 3.44Å
146M85.1Confident84.1Confident49 Ų4960.2 Ų60.224%0.24133%0.331CS..Hα-helixtrans-66.5-30.3172.5-164.8169.674.100112.4L142 I143 R144 P148 L223 F227L142-M146 PolarHBondContact O-N 3.41Å; I143-M146 WeakPolarHBondContact O-CB 3.44Å; I143-M146 PolarHBondContact O-N 2.95Å; I143-M146 VanDerWaalsContact O-N 3.16Å; R144-M146 VanDerWaalsContact C-N 3.35Å; M146-P148 WeakPolarHBondContact O-CD 3.5Å; M146-L223 HydrophobicContact CB-CD2 4.38Å; M146-F227 HydrophobicContact CE-CE2 4.13Å; M146-F227 HydrophobicContact CE-CZ 4.29Å; M146-F227 HydrophobicContact CG-CB 3.97Å; M146-F227 HydrophobicContact CG-CD1 4.03Å; M146-F227 HydrophobicContact CG-CD2 3.51Å; M146-F227 HydrophobicContact CG-CE1 4.45Å; M146-F227 HydrophobicContact CG-CE2 3.97Å; M146-F227 HydrophobicContact CG-CG 3.54Å; M146-F227 HydrophobicContact CG-CZ 4.42Å; M146-F227 HydrophobicContact SD-CD2 3.68Å; M146-F227 HydrophobicContact SD-CE2 3.7Å; M146-F227 HydrophobicContact SD-CG 4.34Å; M146-F227 HydrophobicContact SD-CZ 4.38Å
147F89.4Confident84.8Confident127 Ų12760.7 Ų60.756%0.55732%0.323SS*.SBendtrans-121.376.6176.8-61-79.9000111.1I143 R144 N145 F227I143-F147 PolarHBondContact O-N 3.4Å; R144-F147 CarbonylContact O-C 3.11Å; R144-F147 VanDerWaalsContact O-C 3.23Å; R144-F147 PolarHBondContact O-N 2.93Å; R144-F147 VanDerWaalsContact O-O 3.06Å; N145-F147 VanDerWaalsContact C-N 3.27Å; N145-F147 PolarHBondContact O-N 3.35Å; F147-F227 HydrophobicContact CD1-CE1 4.16Å; F147-F227 HydrophobicContact CE1-CD1 4.17Å; F147-F227 AromaticContact CE1-CE1 3.41Å; F147-F227 HydrophobicContact CE1-CE1 3.41Å; F147-F227 VanDerWaalsContact CE1-CE1 3.41Å; F147-F227 HydrophobicContact CE1-CZ 4.04Å; F147-F227 AromaticContact CZ-CE1 3.75Å; F147-F227 HydrophobicContact CZ-CE1 3.75Å; F147-F227 AromaticContact CZ-CZ 3.9Å; F147-F227 HydrophobicContact CZ-CZ 3.9Å
148P89.2Confident85.1Confident32 Ų3260.3 Ų60.321%0.20832%0.32CS..  trans-63.4140.3-179.227-33.9000111.2M146 N150 L151 A154M146-P148 WeakPolarHBondContact O-CD 3.5Å; P148-N150 PolarHBondContact O-N 2.8Å; P148-L151 HydrophobicContact CG-CD2 4.07Å; P148-A154 HydrophobicContact CB-CB 3.76Å; P148-A154 HydrophobicContact CG-CB 4.01Å
149A90.3Very high85.7Confident112 Ų11263.2 Ų63.293%0.92633%0.329SS*.SBendtrans-62.4-28176.900000112.6
150N93.3Very high86.2Confident80 Ų8065 Ų6543%0.42833%0.331SS..  trans-144.5127.8177.1-175.9-57.8000110.4P148 V152 E153 A154P148-N150 PolarHBondContact O-N 2.8Å; N150-V152 WeakPolarHBondContact OD1-CA 3.46Å; N150-V152 WeakPolarHBondContact OD1-CB 3.3Å; N150-V152 PolarHBondContact OD1-N 2.98Å; N150-E153 HydrophobicContact CB-CB 3.87Å; N150-E153 PolarHBondContact OD1-N 2.86Å; N150-A154 WeakPolarHBondContact O-CB 3.07Å; N150-A154 PolarHBondContact O-N 3.13Å
151L91Very high86.3Confident71 Ų7161.7 Ų61.737%0.37231%0.314SS..THydrogen-bonded Turntrans-70.5-33.5-178.5-70.6170.4000113.4P148 A154 T155 F228P148-L151 HydrophobicContact CG-CD2 4.07Å; L151-A154 WeakPolarHBondContact O-CB 3.18Å; L151-A154 PolarHBondContact O-N 3.14Å; L151-T155 WeakPolarHBondContact O-CG2 3.09Å; L151-F228 HydrophobicContact CD1-CD1 3.92Å; L151-F228 HydrophobicContact CD1-CD2 3.76Å; L151-F228 HydrophobicContact CD1-CE1 3.67Å; L151-F228 HydrophobicContact CD1-CE2 3.5Å; L151-F228 HydrophobicContact CD1-CG 3.96Å; L151-F228 HydrophobicContact CD1-CZ 3.45Å; L151-F228 VanDerWaalsContact CD1-CZ 3.45Å; L151-F228 HydrophobicContact CD2-CB 3.83Å; L151-F228 HydrophobicContact CD2-CD1 3.91Å; L151-F228 HydrophobicContact CD2-CD2 3.94Å; L151-F228 HydrophobicContact CD2-CG 3.59Å; L151-F228 HydrophobicContact CG-CD2 4.46Å; L151-F228 HydrophobicContact CG-CG 4.45Å
152V93.4Very high86.2Confident102 Ų10268 Ų6862%0.61834%0.341SS*.THydrogen-bonded Turntrans-70.5-45.2177-177.20000109.4N150 A154 T155 F156N150-V152 WeakPolarHBondContact OD1-CA 3.46Å; N150-V152 WeakPolarHBondContact OD1-CB 3.3Å; N150-V152 PolarHBondContact OD1-N 2.98Å; V152-A154 VanDerWaalsContact C-N 3.28Å; V152-A154 PolarHBondContact O-N 3.18Å; V152-T155 WeakPolarHBondContact O-CB 3.43Å; V152-T155 PolarHBondContact O-N 3.21Å; V152-T155 PolarHBondContact O-OG1 2.79Å; V152-F156 WeakPolarHBondContact O-CD1 3.33Å; V152-F156 VanDerWaalsContact O-CE1 3.31Å; V152-F156 WeakPolarHBondContact O-CE1 3.35Å
153E91.3Very high86Confident71 Ų7169 Ų6933%0.33235%0.347SS..G310 helixtrans-60.1-39.6174.3-174.6171.3-163.200111.7N150 T155 F156 K157N150-E153 HydrophobicContact CB-CB 3.87Å; N150-E153 PolarHBondContact OD1-N 2.86Å; E153-T155 PolarHBondContact O-N 3.31Å; E153-F156 HydrophobicContact CB-CZ 4.45Å; E153-F156 HydrophobicContact CG-CZ 4.35Å; E153-F156 PolarHBondContact O-N 3.22Å; E153-K157 HydrophobicContact CG-CB 3.95Å; E153-K157 HydrophobicContact CG-CD 4.08Å; E153-K157 PolarHBondContact O-N 3.32Å; E153-K157 WeakPolarHBondContact OE1-CD 3.39Å
154A88.4Confident85.5Confident3 Ų366.4 Ų66.43%0.02534%0.336CS..G310 helixtrans-57.9-20.5175.900000113.6P148 N150 L151 V152 F156 K157 N221 I225P148-A154 HydrophobicContact CB-CB 3.76Å; P148-A154 HydrophobicContact CG-CB 4.01Å; N150-A154 WeakPolarHBondContact O-CB 3.07Å; N150-A154 PolarHBondContact O-N 3.13Å; L151-A154 WeakPolarHBondContact O-CB 3.18Å; L151-A154 PolarHBondContact O-N 3.14Å; V152-A154 VanDerWaalsContact C-N 3.28Å; V152-A154 PolarHBondContact O-N 3.18Å; A154-F156 VanDerWaalsContact C-N 3.27Å; A154-F156 PolarHBondContact O-N 2.91Å; A154-K157 WeakPolarHBondContact CA-O 3.27Å; A154-N221 HydrophobicContact CB-CB 4.14Å; A154-N221 PolarHBondContact O-N 3Å; A154-I225 HydrophobicContact CB-CG1 4.48Å
155T87.2Confident85Confident46 Ų4665.8 Ų65.828%0.28234%0.344SS..G310 helixtrans-71.8-19.3176.769.30000113.7L66 L151 V152 E153 M220 I225L66-T155 HydrophobicContact CD1-CG2 3.87Å; L66-T155 HydrophobicContact CD2-CG2 3.75Å; L66-T155 HydrophobicContact CG-CG2 4.48Å; L151-T155 WeakPolarHBondContact O-CG2 3.09Å; V152-T155 WeakPolarHBondContact O-CB 3.43Å; V152-T155 PolarHBondContact O-N 3.21Å; V152-T155 PolarHBondContact O-OG1 2.79Å; E153-T155 PolarHBondContact O-N 3.31Å; T155-M220 WeakPolarHBondContact O-CB 3.14Å; T155-M220 WeakPolarHBondContact O-CG 3.42Å; T155-I225 HydrophobicContact CG2-CD1 4.41Å
156F86Confident84.4Confident110 Ų11068 Ų6848%0.48236%0.358SS..THydrogen-bonded Turntrans-137.1-8.8-177.661.5-90.4000115V152 E153 A154 G219V152-F156 WeakPolarHBondContact O-CD1 3.33Å; V152-F156 VanDerWaalsContact O-CE1 3.31Å; V152-F156 WeakPolarHBondContact O-CE1 3.35Å; E153-F156 HydrophobicContact CB-CZ 4.45Å; E153-F156 HydrophobicContact CG-CZ 4.35Å; E153-F156 PolarHBondContact O-N 3.22Å; A154-F156 VanDerWaalsContact C-N 3.27Å; A154-F156 PolarHBondContact O-N 2.91Å; F156-G219 CarbonylContact C-O 3.57Å; F156-G219 CarbonylContact O-C 3.23Å; F156-G219 PolarHBondContact O-N 3.45Å
157K86.7Confident83.7Confident64 Ų6469.7 Ų69.728%0.27837%0.371SS..EExtended strand (participates in β ladder)trans-131.9153174.7-74.3177.3-180-176.70112.3E153 A154 G219 N221E153-K157 HydrophobicContact CG-CB 3.95Å; E153-K157 HydrophobicContact CG-CD 4.08Å; E153-K157 PolarHBondContact O-N 3.32Å; E153-K157 WeakPolarHBondContact OE1-CD 3.39Å; A154-K157 WeakPolarHBondContact CA-O 3.27Å; K157-G219 CarbonylContact C-O 3.58Å; K157-G219 WeakPolarHBondContact CA-O 3.38Å; K157-G219 PolarHBondContact N-O 3.28Å; K157-G219 VanDerWaalsContact N-O 3.12Å; K157-N221 WeakPolarHBondContact O-CB 3.45Å
158Q80.4Confident82.5Confident21 Ų2168.9 Ų68.910%0.09837%0.367CS..EExtended strand (participates in β ladder)trans-131.9151.1171.768.4-174.6-0.400111.4T216 S217 G219 N221 T494Q158-T216 CarbonylContact O-C 3.57Å; Q158-T216 WeakPolarHBondContact O-CA 3.44Å; Q158-S217 WeakPolarHBondContact CG-OG 3.49Å; Q158-S217 PolarHBondContact N-O 3.06Å; Q158-S217 PolarHBondContact NE2-OG 3.38Å; Q158-S217 VanDerWaalsContact NE2-OG 3.14Å; Q158-S217 PolarHBondContact O-N 3.16Å; Q158-G219 PolarHBondContact N-O 3.25Å; Q158-N221 HydrophobicContact CB-CB 3.81Å; Q158-T494 PolarHBondContact OE1-O 2.75Å
159Y83.8Confident80.9Confident70 Ų7072 Ų7228%0.27539%0.39SS..EExtended strand (participates in β ladder)trans-73.6131.7178.6-167.4-82.7000110.3D141 R144 N145 P214D141-Y159 WeakPolarHBondContact OD1-CD1 3.4Å; D141-Y159 VanDerWaalsContact OD1-CE1 3.28Å; D141-Y159 WeakPolarHBondContact OD1-CE1 3.34Å; R144-Y159 HydrophobicContact CB-CD1 4.19Å; R144-Y159 HydrophobicContact CB-CG 4.26Å; N145-Y159 PolarHBondContact ND2-O 3.44Å; N145-Y159 VanDerWaalsContact OD1-CB 3.31Å; N145-Y159 WeakPolarHBondContact OD1-CB 3.44Å; N145-Y159 PolarHBondContact OD1-N 3.11Å; Y159-P214 HydrophobicContact CE2-CB 4.23Å; Y159-P214 VanDerWaalsContact OH-CB 3.29Å; Y159-P214 WeakPolarHBondContact OH-CB 3.48Å
160R81Confident79.2Confident111 Ų11171.9 Ų71.942%0.41938%0.379SS..  trans-146.6121.1175.8-169.1171.9-174.7160.23110.3K162 G215R160-K162 PolarHBondContact O-N 3.48Å; R160-G215 CarbonylContact C-O 3.59Å; R160-G215 PolarHBondContact N-O 2.99Å; R160-G215 CarbonylContact O-C 3.57Å; R160-G215 WeakPolarHBondContact O-CA 3.45Å; R160-G215 PolarHBondContact O-N 3.35Å
161T82.4Confident77.1Confident8 Ų878 Ų785%0.04940%0.402CS..  trans-65.3123.8175.4-65.70000109.2D137 D141 R144D137-T161 HydrophobicContact CB-CG2 4.43Å; D141-T161 VanDerWaalsContact CG-OG1 3.3Å; D141-T161 PolarHBondContact OD1-OG1 2.85Å; D141-T161 WeakPolarHBondContact OD2-CB 3.35Å; D141-T161 PolarHBondContact OD2-N 2.88Å; D141-T161 PolarHBondContact OD2-OG1 2.68Å; R144-T161 PolarHBondContact NH1-OG1 3.06Å
162K79.1Confident75.1Confident141 Ų14178 Ų7861%0.61341%0.405SS*.EExtended strand (participates in β ladder)trans-98.9119.6175.4-172.3179179.5-1780108.4R160 T164 E213R160-K162 PolarHBondContact O-N 3.48Å; K162-T164 HydrophobicContact CD-CG2 4.33Å; K162-T164 HydrophobicContact CG-CG2 4.26Å; K162-T164 PolarHBondContact O-N 2.87Å; K162-E213 PolarHBondContact N-O 2.88Å; K162-E213 PolarHBondContact O-N 3.3Å
163T73.3Confident73.2Confident36 Ų3676.5 Ų76.522%0.22140%0.403CS..EExtended strand (participates in β ladder)trans-85.5113.1174.4-44.40000109Y210T163-Y210 HydrophobicContact CG2-CD1 3.72Å; T163-Y210 HydrophobicContact CG2-CG 4.09Å
164T74.8Confident71.4Confident30 Ų3079.4 Ų79.418%0.18443%0.428CS..EExtended strand (participates in β ladder)trans-103.5128.2175.451.50000109.7K162 V166 K211 E213K162-T164 HydrophobicContact CD-CG2 4.33Å; K162-T164 HydrophobicContact CG-CG2 4.26Å; K162-T164 PolarHBondContact O-N 2.87Å; T164-V166 PolarHBondContact O-N 3.47Å; T164-K211 PolarHBondContact N-O 3.38Å; T164-K211 PolarHBondContact O-N 2.87Å; T164-K211 PolarHBondContact OG1-O 3.21Å; T164-E213 PolarHBondContact OG1-OE2 2.7Å
165P74.4Confident69.6Low80 Ų8088.2 Ų88.252%0.51947%0.469SS..EExtended strand (participates in β ladder)trans-73.111317428.2-31.3000108.8V208 Y210P165-V208 HydrophobicContact CB-CG1 3.49Å; P165-V208 VanDerWaalsContact CB-CG1 3.49Å; P165-Y210 HydrophobicContact CB-CD1 4.38Å; P165-Y210 HydrophobicContact CB-CE1 4.21Å
166V71.1Confident67.9Low65 Ų6594 Ų9439%0.39449%0.493SS..EExtended strand (participates in β ladder)trans-94.2106.3172.5-176.90000107.4T164 K168 I209 K211T164-V166 PolarHBondContact O-N 3.47Å; V166-K168 PolarHBondContact O-N 2.83Å; V166-I209 PolarHBondContact N-O 2.8Å; V166-I209 PolarHBondContact O-N 3.27Å; V166-K211 HydrophobicContact CG2-CB 3.77Å; V166-K211 HydrophobicContact CG2-CD 4.29Å
167V71.5Confident66.2Low83 Ų8391.7 Ų91.750%0.50349%0.494SS..EExtended strand (participates in β ladder)trans-68.6113.5173-174.60000107.6S169 P206V167-S169 PolarHBondContact O-N 3.4Å; V167-P206 HydrophobicContact CG1-CB 3.54Å; V167-P206 HydrophobicContact CG1-CG 3.83Å
168K62.9Low64.7Low111 Ų11192.9 Ų92.948%0.48351%0.508SS..  trans-70.8112.7169-85.8-176171.7165.20108V166 E207 I209V166-K168 PolarHBondContact O-N 2.83Å; K168-E207 PolarHBondContact N-O 3.38Å; K168-I209 HydrophobicContact CD-CD1 3.51Å; K168-I209 HydrophobicContact CG-CD1 4.1Å
169S56.9Low63.5Low98 Ų9897.5 Ų97.569%0.68554%0.54SS*.  trans-59.9131163-50.70000108.2V167 K171V167-S169 PolarHBondContact O-N 3.4Å; S169-K171 PolarHBondContact O-N 3.26Å
170P53.5Low62.2Low109 Ų109103.3 Ų103.371%0.70856%0.561SS**  trans-62.6103.6177.222.5-30000109.1V172P170-V172 HydrophobicContact CB-CG2 4.2Å; P170-V172 PolarHBondContact O-N 3.14Å
171K50.8Low61Low209 Ų209107.5 Ų107.591%0.90958%0.577SS**  trans-78.969.9162.6-76.1-175.5177.5-179.20107.5S169S169-K171 PolarHBondContact O-N 3.26Å
172V48.9Very low59.9Low69 Ų69112.1 Ų112.142%0.41860%0.6SS.*  trans-108.7116.1169.9-1730000105.7P170 E176 A177P170-V172 HydrophobicContact CB-CG2 4.2Å; P170-V172 PolarHBondContact O-N 3.14Å; V172-E176 HydrophobicContact CG1-CB 3.86Å; V172-A177 HydrophobicContact CG1-CB 4.33Å
173A51.8Low58.9Low71 Ų71110 Ų11059%0.58760%0.596SS**  trans-56.3148.7165.200000108E175 E176A173-E175 PolarHBondContact O-N 2.96Å; A173-E176 PolarHBondContact O-N 2.9Å
174P53.9Low58.4Low133 Ų133113.9 Ų113.986%0.86461%0.613SS**THydrogen-bonded Turntrans-53.4-12.9-169.1-26.233.4000116.6
175E51.2Low57.7Low187 Ų187117.7 Ų117.787%0.87463%0.625SS**THydrogen-bonded Turntrans-89.7-13.8-173.3-67.8-173.8147.800115.6A173A173-E175 PolarHBondContact O-N 2.96Å
176E50.8Low57Low169 Ų169116 Ų11679%0.7962%0.623SS**SBendtrans-120.215.1-176.3-75.4-174164.300114.9V172 A173V172-E176 HydrophobicContact CG1-CB 3.86Å; A173-E176 PolarHBondContact O-N 2.9Å
177A50.9Low56.6Low61 Ų61116.3 Ų116.350%0.50463%0.625SS.*PPolyproline II helixtrans-70.9136.317700000111V172V172-A177 HydrophobicContact CG1-CB 4.33Å
178P55.5Low56.1Low88 Ų88118.2 Ų118.257%0.57163%0.628SS**PPolyproline II helixtrans-58148.9172.925.2-32.7000109.8R180P178-R180 PolarHBondContact O-N 3.16Å
179P54.1Low56Low119 Ų119119.8 Ų119.877%0.77364%0.637SS**PPolyproline II helixtrans-59.2118.5-175.524-32.6000109.1R181P179-R181 PolarHBondContact O-N 3.07Å
180R57.8Low56.1Low191 Ų191124.6 Ų124.672%0.72165%0.649SS**  trans-53.6111.8172.4-70.2-176.2-178.4179.13.8108P178 I182 D201P178-R180 PolarHBondContact O-N 3.16Å; R180-I182 PolarHBondContact O-N 3.19Å; R180-I182 VanDerWaalsContact O-N 3.1Å; R180-D201 IonicContact NH1-OD2 3.54Å
181R55.8Low56.5Low199 Ų199127.7 Ų127.775%0.75166%0.659SS**  trans-78.497.1177.9-88.6-174.9174.3-178-0.8108.3P179 L183P179-R181 PolarHBondContact O-N 3.07Å; R181-L183 PolarHBondContact O-N 3.28Å
182I58.8Low57Low105 Ų105119.2 Ų119.254%0.53863%0.631SS.*EExtended strand (participates in β ladder)trans-78.6109171.4-57.6172.1000107.5R180 I184 A199R180-I182 PolarHBondContact O-N 3.19Å; R180-I182 VanDerWaalsContact O-N 3.1Å; I182-I184 HydrophobicContact CG2-CG1 3.99Å; I182-A199 HydrophobicContact CG2-CB 3.72Å
183L59.1Low57.5Low98 Ų98121.7 Ų121.751%0.51365%0.651SS.*EExtended strand (participates in β ladder)trans-86.8119.8165.9-91.5103.3000108.7R181 L200 L202R181-L183 PolarHBondContact O-N 3.28Å; L183-L200 PolarHBondContact N-O 3.1Å; L183-L200 PolarHBondContact O-N 3.36Å; L183-L200 VanDerWaalsContact O-N 3.08Å; L183-L202 HydrophobicContact CD1-CD1 3.65Å
184I61Low57.7Low116 Ų116128 Ų12860%0.59566%0.66SS**EExtended strand (participates in β ladder)trans-99.7114172.6-54.4176.9000107.3I182 N197 F198I182-I184 HydrophobicContact CG2-CG1 3.99Å; I184-N197 HydrophobicContact CG2-CB 3.76Å; I184-F198 WeakPolarHBondContact CA-O 3.39Å
185Y60.5Low58Low110 Ų110125.1 Ų125.143%0.43164%0.64SS.*EExtended strand (participates in β ladder)trans-111.2127.3169.355.7-87.8000109V187 F198 L200Y185-V187 HydrophobicContact CD2-CG2 3.87Å; Y185-V187 HydrophobicContact CE2-CG2 4.03Å; Y185-F198 HydrophobicContact CD2-CB 4.43Å; Y185-F198 HydrophobicContact CE1-CB 4.24Å; Y185-F198 HydrophobicContact CE2-CB 3.81Å; Y185-F198 HydrophobicContact CE2-CD2 4.15Å; Y185-F198 HydrophobicContact CE2-CG 4.28Å; Y185-F198 PolarHBondContact N-O 3.25Å; Y185-F198 PolarHBondContact O-N 3.06Å; Y185-L200 HydrophobicContact CE1-CB 4.28Å; Y185-L200 HydrophobicContact CE1-CD1 4.1Å
186G59.8Low58.6Low45 Ų45122 Ų12246%0.46463%0.625SS.*EExtended strand (participates in β ladder)trans-84.9116.1174.700000109.2
187V63Low59.2Low72 Ų72119.1 Ų119.144%0.43662%0.615SS.*EExtended strand (participates in β ladder)trans-89.9118.4168.4-175.90000106.9Y185 Q196 F198Y185-V187 HydrophobicContact CD2-CG2 3.87Å; Y185-V187 HydrophobicContact CE2-CG2 4.03Å; V187-Q196 PolarHBondContact N-O 3.23Å; V187-Q196 PolarHBondContact O-N 3.43Å; V187-F198 HydrophobicContact CB-CE2 4.34Å; V187-F198 HydrophobicContact CG2-CD2 4.04Å; V187-F198 HydrophobicContact CG2-CE2 4.14Å
188Q61.6Low59.8Low123 Ų123120.4 Ų120.458%0.57561%0.61SS**EExtended strand (participates in β ladder)trans-101.9119.1176.2-171.3153.37.900108.6V195Q188-V195 HydrophobicContact CB-CG2 4.45Å; Q188-V195 HydrophobicContact CG-CG2 4.37Å
189E59.7Low59.9Low143 Ų143119.8 Ų119.867%0.66861%0.612SS**PPolyproline II helixtrans-67.9140.1176.1-76.8-178.6160.800110.4N191 G192E189-N191 PolarHBondContact O-N 3.24Å; E189-G192 PolarHBondContact O-N 2.83Å
190E60.2Low60Low200 Ų200118 Ų11894%0.93560%0.596SS**THydrogen-bonded Turntrans-57.9-8.1-169.1-108.2-178.5163.900115.8
191N62.1Low60Low173 Ų173112.6 Ų112.693%0.92558%0.581SS**THydrogen-bonded Turntrans-143.927.6176.5-88.6-35.5000114.7E189E189-N191 PolarHBondContact O-N 3.24Å
192G59.8Low60Low31 Ų31107.6 Ų107.632%0.3257%0.569SS.*  trans-137.3144.1179.700000114.5E189 R194E189-G192 PolarHBondContact O-N 2.83Å; G192-R194 PolarHBondContact O-N 3.1Å
193S59.8Low60Low121 Ų121108.3 Ų108.385%0.84658%0.578SS**SBendtrans-75.57.3174560000114.3
194R56.5Low60.1Low205 Ų205107.7 Ų107.777%0.77458%0.58SS**  trans-97.3112.2179.6-77.9176.778.6169.62.7110.3G192G192-R194 PolarHBondContact O-N 3.1Å
195V61.2Low60Low71 Ų71107.9 Ų107.943%0.4359%0.588SS.*EExtended strand (participates in β ladder)trans-87.6121.8168.8-178.10000108.2Q188Q188-V195 HydrophobicContact CB-CG2 4.45Å; Q188-V195 HydrophobicContact CG-CG2 4.37Å
196Q63.5Low60Low121 Ų121106.1 Ų106.157%0.56559%0.591SS**EExtended strand (participates in β ladder)trans-96.9116.1173.9-137.6170.73300108.8V187 F198V187-Q196 PolarHBondContact N-O 3.23Å; V187-Q196 PolarHBondContact O-N 3.43Å; Q196-F198 HydrophobicContact CB-CE2 3.95Å; Q196-F198 HydrophobicContact CB-CZ 4.38Å; Q196-F198 HydrophobicContact CG-CE2 4.36Å; Q196-F198 HydrophobicContact CG-CZ 4.33Å
197N62.9Low59.9Low110 Ų110110 Ų11059%0.58860%0.597SS**EExtended strand (participates in β ladder)trans-89.8118.4-177.8-70.3-28.2000109.5I184I184-N197 HydrophobicContact CG2-CB 3.76Å
198F62.4Low60.1Low87 Ų87109.5 Ų109.538%0.38259%0.594SS.*EExtended strand (participates in β ladder)trans-103.2129.7172.8-64.7-86.8000109.4I184 Y185 V187 Q196I184-F198 WeakPolarHBondContact CA-O 3.39Å; Y185-F198 HydrophobicContact CD2-CB 4.43Å; Y185-F198 HydrophobicContact CE1-CB 4.24Å; Y185-F198 HydrophobicContact CE2-CB 3.81Å; Y185-F198 HydrophobicContact CE2-CD2 4.15Å; Y185-F198 HydrophobicContact CE2-CG 4.28Å; Y185-F198 PolarHBondContact N-O 3.25Å; Y185-F198 PolarHBondContact O-N 3.06Å; V187-F198 HydrophobicContact CB-CE2 4.34Å; V187-F198 HydrophobicContact CG2-CD2 4.04Å; V187-F198 HydrophobicContact CG2-CE2 4.14Å; Q196-F198 HydrophobicContact CB-CE2 3.95Å; Q196-F198 HydrophobicContact CB-CZ 4.38Å; Q196-F198 HydrophobicContact CG-CE2 4.36Å; Q196-F198 HydrophobicContact CG-CZ 4.33Å
199A58.7Low60.5Low75 Ų75106.8 Ų106.862%0.6258%0.583SS**EExtended strand (participates in β ladder)trans-99.2112.2176.300000109.1I182I182-A199 HydrophobicContact CG2-CB 3.72Å
200L56.2Low61Low83 Ų83107.5 Ų107.544%0.43558%0.58SS.*EExtended strand (participates in β ladder)trans-93.7118.6173.7-138.889000109.3L183 Y185 L202L183-L200 PolarHBondContact N-O 3.1Å; L183-L200 PolarHBondContact O-N 3.36Å; L183-L200 VanDerWaalsContact O-N 3.08Å; Y185-L200 HydrophobicContact CE1-CB 4.28Å; Y185-L200 HydrophobicContact CE1-CD1 4.1Å; L200-L202 HydrophobicContact CD2-CD2 4.03Å; L200-L202 PolarHBondContact O-N 3.13Å
201D56.9Low61.7Low77 Ų77103.3 Ų103.341%0.41256%0.559SS.*EExtended strand (participates in β ladder)trans-88.899.7173.7-161.5-0.8000109R180 T203R180-D201 IonicContact NH1-OD2 3.54Å; D201-T203 PolarHBondContact O-N 3.17Å; D201-T203 VanDerWaalsContact O-N 3.15Å
202L56.5Low62.5Low94 Ų9497.8 Ų97.849%0.49253%0.534SS..  trans-77.797.8178-71171000109.4L183 L200L183-L202 HydrophobicContact CD1-CD1 3.65Å; L200-L202 HydrophobicContact CD2-CD2 4.03Å; L200-L202 PolarHBondContact O-N 3.13Å
203T58.2Low63.4Low120 Ų12099.9 Ų99.974%0.73654%0.535SS*.PPolyproline II helixtrans-66127169.7-560000108.7D201D201-T203 PolarHBondContact O-N 3.17Å; D201-T203 VanDerWaalsContact O-N 3.15Å
204P61.3Low64.4Low85 Ų8599 Ų9955%0.55253%0.527SS*.PPolyproline II helixtrans-59.5141.7176.423.3-31.5000109.7
205P58.7Low65.6Low119 Ų11990.1 Ų90.177%0.77350%0.498SS*.PPolyproline II helixtrans-58.4134179.524.3-32.5000109.4
206P60.3Low66.7Low74 Ų7490.6 Ų90.648%0.48150%0.502SS..PPolyproline II helixtrans-65.8141.6-176.528.6-35.1000110.2V167 V208V167-P206 HydrophobicContact CG1-CB 3.54Å; V167-P206 HydrophobicContact CG1-CG 3.83Å; P206-V208 PolarHBondContact O-N 2.83Å; P206-V208 VanDerWaalsContact O-N 3.11Å
207E59.4Low67.5Low126 Ų12686 Ų8659%0.58948%0.483SS*.  trans-67.5109.5175.4-164.6-172.7-174.800109K168K168-E207 PolarHBondContact N-O 3.38Å
208V66.8Low68.3Low61 Ų6187.5 Ų87.537%0.3749%0.491SS..EExtended strand (participates in β ladder)trans-90.9116.3177.6-1770000108.4P165 P206P165-V208 HydrophobicContact CB-CG1 3.49Å; P165-V208 VanDerWaalsContact CB-CG1 3.49Å; P206-V208 PolarHBondContact O-N 2.83Å; P206-V208 VanDerWaalsContact O-N 3.11Å
209I68.4Low68.8Low67 Ų6784.7 Ų84.734%0.34449%0.487SS..EExtended strand (participates in β ladder)trans-104.4126.9170.5-71.1162.5000108.4V166 K168V166-I209 PolarHBondContact N-O 2.8Å; V166-I209 PolarHBondContact O-N 3.27Å; K168-I209 HydrophobicContact CD-CD1 3.51Å; K168-I209 HydrophobicContact CG-CD1 4.1Å
210Y70.9Confident69.7Low158 Ų15882.6 Ų82.662%0.6246%0.464SS*.EExtended strand (participates in β ladder)trans-77.5123.8175.3-66.3-81.5000109.5T163 P165T163-Y210 HydrophobicContact CG2-CD1 3.72Å; T163-Y210 HydrophobicContact CG2-CG 4.09Å; P165-Y210 HydrophobicContact CB-CD1 4.38Å; P165-Y210 HydrophobicContact CB-CE1 4.21Å
211K76.1Confident71Confident112 Ų11278.9 Ų78.949%0.48745%0.445SS..EExtended strand (participates in β ladder)trans-108.7127.3173-169.5-177.1174.9-159.40108.8T164 V166 E213T164-K211 PolarHBondContact N-O 3.38Å; T164-K211 PolarHBondContact O-N 2.87Å; T164-K211 PolarHBondContact OG1-O 3.21Å; V166-K211 HydrophobicContact CG2-CB 3.77Å; V166-K211 HydrophobicContact CG2-CD 4.29Å; K211-E213 HydrophobicContact CD-CG 4.49Å; K211-E213 HydrophobicContact CG-CG 4.46Å; K211-E213 IonicContact NZ-OE1 3.59Å
212S77.4Confident71.9Confident57 Ų5775.2 Ų75.240%0.39943%0.425SS..EExtended strand (participates in β ladder)trans-83.4119.2174.1-64.10000109.3D137D137-S212 PolarHBondContact OD2-OG 2.97Å
213E78.7Confident72.8Confident75 Ų7571.3 Ų71.335%0.3541%0.405SS..EExtended strand (participates in β ladder)trans-113.5144178.7-67.2-171.1151.400111.1K162 T164 K211 G215K162-E213 PolarHBondContact N-O 2.88Å; K162-E213 PolarHBondContact O-N 3.3Å; T164-E213 PolarHBondContact OG1-OE2 2.7Å; K211-E213 HydrophobicContact CD-CG 4.49Å; K211-E213 HydrophobicContact CG-CG 4.46Å; K211-E213 IonicContact NZ-OE1 3.59Å; E213-G215 PolarHBondContact O-N 3.06Å
214P81.4Confident74.1Confident103 Ų10365.6 Ų65.667%0.66937%0.37SS*.  trans-62.8126.7175.127.2-33.9000109.5Y159Y159-P214 HydrophobicContact CE2-CB 4.23Å; Y159-P214 VanDerWaalsContact OH-CB 3.29Å; Y159-P214 WeakPolarHBondContact OH-CB 3.48Å
215G82.3Confident75.2Confident17 Ų1761.9 Ų61.918%0.17535%0.345CS..  trans-134.7164178.300000111.8R160 E213R160-G215 CarbonylContact C-O 3.59Å; R160-G215 PolarHBondContact N-O 2.99Å; R160-G215 CarbonylContact O-C 3.57Å; R160-G215 WeakPolarHBondContact O-CA 3.45Å; R160-G215 PolarHBondContact O-N 3.35Å; E213-G215 PolarHBondContact O-N 3.06Å
216T84.4Confident76.3Confident82 Ų8256.8 Ų56.850%0.50331%0.312SS..EExtended strand (participates in β ladder)trans-120.5149.1168.854.10000108.8Q158Q158-T216 CarbonylContact O-C 3.57Å; Q158-T216 WeakPolarHBondContact O-CA 3.44Å
217S80.1Confident77.5Confident24 Ų2456.7 Ų56.717%0.16830%0.304CS..EExtended strand (participates in β ladder)trans-120.3144.6169.759.20000109.6Q158 G219Q158-S217 WeakPolarHBondContact CG-OG 3.49Å; Q158-S217 PolarHBondContact N-O 3.06Å; Q158-S217 PolarHBondContact NE2-OG 3.38Å; Q158-S217 VanDerWaalsContact NE2-OG 3.14Å; Q158-S217 PolarHBondContact O-N 3.16Å; S217-G219 PolarHBondContact O-N 3.11Å
218D79.4Confident79Confident142 Ų14254.9 Ų54.976%0.75929%0.294SS*.EExtended strand (participates in β ladder)trans-70.4127.3178.1-64.3-34.5000109.6
219G73.3Confident80Confident28 Ų2852 Ų5229%0.28928%0.277SS..SBendtrans145.9143.8-172.800000111.4F156 K157 Q158 S217 N221F156-G219 CarbonylContact C-O 3.57Å; F156-G219 CarbonylContact O-C 3.23Å; F156-G219 PolarHBondContact O-N 3.45Å; K157-G219 CarbonylContact C-O 3.58Å; K157-G219 WeakPolarHBondContact CA-O 3.38Å; K157-G219 PolarHBondContact N-O 3.28Å; K157-G219 VanDerWaalsContact N-O 3.12Å; Q158-G219 PolarHBondContact N-O 3.25Å; S217-G219 PolarHBondContact O-N 3.11Å; G219-N221 PolarHBondContact O-N 2.89Å
220M78.1Confident80.7Confident31 Ų3149.8 Ų49.815%0.15327%0.269CS..  trans-67.1124.5178.8-178169.463.500110.6I65 L66 T155 V222 I225I65-M220 HydrophobicContact CB-CE 3.9Å; I65-M220 HydrophobicContact CG2-CE 3.36Å; L66-M220 HydrophobicContact CB-SD 4.01Å; L66-M220 HydrophobicContact CD1-SD 4.19Å; T155-M220 WeakPolarHBondContact O-CB 3.14Å; T155-M220 WeakPolarHBondContact O-CG 3.42Å; M220-V222 VanDerWaalsContact C-N 3.26Å; M220-V222 HydrophobicContact CB-CG2 4.29Å; M220-V222 HydrophobicContact CE-CG1 4.46Å; M220-V222 HydrophobicContact CE-CG2 3.53Å; M220-V222 HydrophobicContact CG-CG2 4Å; M220-V222 WeakPolarHBondContact O-CG2 3.43Å; M220-V222 PolarHBondContact O-N 3.42Å; M220-V222 HydrophobicContact SD-CG2 4.48Å; M220-I225 HydrophobicContact CG-CD1 3.58Å; M220-I225 HydrophobicContact SD-CD1 3.87Å
221N83.3Confident81.4Confident4 Ų445.3 Ų45.32%0.02126%0.258CS..  trans-75.479.5169.2178.19.7000110.1N145 A154 K157 Q158 G219 L223 G224 I225N145-N221 PolarHBondContact O-ND2 3.23Å; N145-N221 PolarHBondContact O-OD1 2.92Å; A154-N221 HydrophobicContact CB-CB 4.14Å; A154-N221 PolarHBondContact O-N 3Å; K157-N221 WeakPolarHBondContact O-CB 3.45Å; Q158-N221 HydrophobicContact CB-CB 3.81Å; G219-N221 PolarHBondContact O-N 2.89Å; N221-L223 VanDerWaalsContact C-N 3.28Å; N221-L223 PolarHBondContact O-N 2.8Å; N221-G224 PolarHBondContact O-N 3.34Å; N221-G224 PolarHBondContact OD1-N 2.78Å; N221-G224 VanDerWaalsContact OD1-N 3.08Å; N221-I225 WeakPolarHBondContact O-CG1 3.24Å; N221-I225 PolarHBondContact O-N 3.33Å
222V75.5Confident82.1Confident1 Ų142.9 Ų42.91%0.00625%0.249CC..Hα-helixtrans-65.8-33.8-176.8-160.50000112.1M220 G224 I225 V226 I491 T494M220-V222 VanDerWaalsContact C-N 3.26Å; M220-V222 HydrophobicContact CB-CG2 4.29Å; M220-V222 HydrophobicContact CE-CG1 4.46Å; M220-V222 HydrophobicContact CE-CG2 3.53Å; M220-V222 HydrophobicContact CG-CG2 4Å; M220-V222 WeakPolarHBondContact O-CG2 3.43Å; M220-V222 PolarHBondContact O-N 3.42Å; M220-V222 HydrophobicContact SD-CG2 4.48Å; V222-G224 PolarHBondContact O-N 3.32Å; V222-I225 PolarHBondContact O-N 3.45Å; V222-V226 HydrophobicContact CG1-CG2 4.07Å; V222-V226 WeakPolarHBondContact O-CB 3.34Å; V222-V226 WeakPolarHBondContact O-CG2 3.08Å; V222-V226 PolarHBondContact O-N 2.62Å; V222-I491 HydrophobicContact CB-CG2 3.87Å; V222-I491 HydrophobicContact CG1-CB 4.09Å; V222-I491 HydrophobicContact CG1-CD1 4.48Å; V222-I491 HydrophobicContact CG1-CG1 4.03Å; V222-I491 HydrophobicContact CG1-CG2 3.31Å; V222-I491 HydrophobicContact CG2-CG2 4.4Å; V222-T494 WeakPolarHBondContact CG2-OG1 3.45Å
223L75.2Confident82.5Confident11 Ų1140.1 Ų40.16%0.05823%0.23CC..Hα-helixtrans-58.6-48.8178.5175.468.2000111.6L142 N145 M146 N221 I225 V226 F227 I469 T470L142-L223 HydrophobicContact CD1-CD2 3.27Å; L142-L223 HydrophobicContact CG-CD2 4.48Å; N145-L223 HydrophobicContact CB-CD2 4.34Å; M146-L223 HydrophobicContact CB-CD2 4.38Å; N221-L223 VanDerWaalsContact C-N 3.28Å; N221-L223 PolarHBondContact O-N 2.8Å; L223-I225 VanDerWaalsContact C-N 3.34Å; L223-I225 PolarHBondContact O-N 3.47Å; L223-V226 PolarHBondContact O-N 3.28Å; L223-F227 WeakPolarHBondContact O-CB 3.1Å; L223-F227 PolarHBondContact O-N 3.01Å; L223-I469 HydrophobicContact CD1-CG2 4.09Å; L223-T470 HydrophobicContact CB-CG2 4.11Å; L223-T470 HydrophobicContact CD1-CG2 3.7Å; L223-T470 HydrophobicContact CG-CG2 4.4Å
224G84.3Confident82.7Confident0 Ų039.9 Ų39.90%023%0.23CC..Hα-helixtrans-62.7-40.817800000112.5N145 N221 V222 F227 F228N145-G224 WeakPolarHBondContact O-CA 3.31Å; N145-G224 PolarHBondContact O-N 3.44Å; N221-G224 PolarHBondContact O-N 3.34Å; N221-G224 PolarHBondContact OD1-N 2.78Å; N221-G224 VanDerWaalsContact OD1-N 3.08Å; V222-G224 PolarHBondContact O-N 3.32Å; G224-F227 PolarHBondContact O-N 3.44Å; G224-F228 VanDerWaalsContact O-CB 3.3Å; G224-F228 WeakPolarHBondContact O-CB 3.25Å; G224-F228 PolarHBondContact O-N 3.17Å
225I86Confident83Confident8 Ų839.2 Ų39.24%0.04122%0.219CC..Hα-helixtrans-63.2-44.2177.4-65.1166.5000111L66 V69 V70 A154 T155 M220 N221 V222 L223 S229L66-I225 HydrophobicContact CD1-CD1 3.65Å; L66-I225 HydrophobicContact CD1-CG1 4.5Å; L66-I225 HydrophobicContact CD1-CG2 4.16Å; V69-I225 HydrophobicContact CG1-CG2 4.26Å; V70-I225 HydrophobicContact CG2-CG2 3.54Å; A154-I225 HydrophobicContact CB-CG1 4.48Å; T155-I225 HydrophobicContact CG2-CD1 4.41Å; M220-I225 HydrophobicContact CG-CD1 3.58Å; M220-I225 HydrophobicContact SD-CD1 3.87Å; N221-I225 WeakPolarHBondContact O-CG1 3.24Å; N221-I225 PolarHBondContact O-N 3.33Å; V222-I225 PolarHBondContact O-N 3.45Å; L223-I225 VanDerWaalsContact C-N 3.34Å; L223-I225 PolarHBondContact O-N 3.47Å; I225-S229 WeakPolarHBondContact O-CB 3.41Å; I225-S229 PolarHBondContact O-N 3.22Å; I225-S229 PolarHBondContact O-OG 2.99Å
226V81.7Confident83.3Confident12 Ų1238.6 Ų38.67%0.07321%0.212CC..Hα-helixtrans-63.3-48.7177.7165.90000110.9V69 L73 V222 L223 F228 S229 A230 A473V69-V226 HydrophobicContact CG1-CG2 3.56Å; L73-V226 HydrophobicContact CD1-CB 4.1Å; L73-V226 HydrophobicContact CD1-CG1 3.82Å; L73-V226 HydrophobicContact CD1-CG2 3.97Å; V222-V226 HydrophobicContact CG1-CG2 4.07Å; V222-V226 WeakPolarHBondContact O-CB 3.34Å; V222-V226 WeakPolarHBondContact O-CG2 3.08Å; V222-V226 PolarHBondContact O-N 2.62Å; L223-V226 PolarHBondContact O-N 3.28Å; V226-F228 PolarHBondContact O-N 2.8Å; V226-S229 PolarHBondContact O-N 3.49Å; V226-A230 VanDerWaalsContact O-CB 3.25Å; V226-A230 WeakPolarHBondContact O-CB 3.29Å; V226-A230 PolarHBondContact O-N 2.63Å; V226-A473 HydrophobicContact CG1-CB 3.42Å; V226-A473 VanDerWaalsContact CG1-CB 3.42Å
227F84.6Confident83.2Confident71 Ų7135.2 Ų35.231%0.31119%0.194SC..Hα-helixtrans-62.6-44.7-179.3-172-91000111.9M146 F147 L223 G224 T231M146-F227 HydrophobicContact CE-CE2 4.13Å; M146-F227 HydrophobicContact CE-CZ 4.29Å; M146-F227 HydrophobicContact CG-CB 3.97Å; M146-F227 HydrophobicContact CG-CD1 4.03Å; M146-F227 HydrophobicContact CG-CD2 3.51Å; M146-F227 HydrophobicContact CG-CE1 4.45Å; M146-F227 HydrophobicContact CG-CE2 3.97Å; M146-F227 HydrophobicContact CG-CG 3.54Å; M146-F227 HydrophobicContact CG-CZ 4.42Å; M146-F227 HydrophobicContact SD-CD2 3.68Å; M146-F227 HydrophobicContact SD-CE2 3.7Å; M146-F227 HydrophobicContact SD-CG 4.34Å; M146-F227 HydrophobicContact SD-CZ 4.38Å; F147-F227 HydrophobicContact CD1-CE1 4.16Å; F147-F227 HydrophobicContact CE1-CD1 4.17Å; F147-F227 AromaticContact CE1-CE1 3.41Å; F147-F227 HydrophobicContact CE1-CE1 3.41Å; F147-F227 VanDerWaalsContact CE1-CE1 3.41Å; F147-F227 HydrophobicContact CE1-CZ 4.04Å; F147-F227 AromaticContact CZ-CE1 3.75Å; F147-F227 HydrophobicContact CZ-CE1 3.75Å; F147-F227 AromaticContact CZ-CZ 3.9Å; F147-F227 HydrophobicContact CZ-CZ 3.9Å; L223-F227 WeakPolarHBondContact O-CB 3.1Å; L223-F227 PolarHBondContact O-N 3.01Å; G224-F227 PolarHBondContact O-N 3.44Å; F227-T231 WeakPolarHBondContact O-CB 3.45Å; F227-T231 PolarHBondContact O-N 3.37Å; F227-T231 PolarHBondContact O-OG1 2.88Å
228F90.9Very high83.4Confident88 Ų8841.7 Ų41.739%0.38621%0.214SC..Hα-helixtrans-61.3-51174.7173.6-100.1000112L151 G224 V226 A230 T231 M232L151-F228 HydrophobicContact CD1-CD1 3.92Å; L151-F228 HydrophobicContact CD1-CD2 3.76Å; L151-F228 HydrophobicContact CD1-CE1 3.67Å; L151-F228 HydrophobicContact CD1-CE2 3.5Å; L151-F228 HydrophobicContact CD1-CG 3.96Å; L151-F228 HydrophobicContact CD1-CZ 3.45Å; L151-F228 VanDerWaalsContact CD1-CZ 3.45Å; L151-F228 HydrophobicContact CD2-CB 3.83Å; L151-F228 HydrophobicContact CD2-CD1 3.91Å; L151-F228 HydrophobicContact CD2-CD2 3.94Å; L151-F228 HydrophobicContact CD2-CG 3.59Å; L151-F228 HydrophobicContact CG-CD2 4.46Å; L151-F228 HydrophobicContact CG-CG 4.45Å; G224-F228 VanDerWaalsContact O-CB 3.3Å; G224-F228 WeakPolarHBondContact O-CB 3.25Å; G224-F228 PolarHBondContact O-N 3.17Å; V226-F228 PolarHBondContact O-N 2.8Å; F228-A230 VanDerWaalsContact C-N 3.28Å; F228-A230 PolarHBondContact O-N 3.27Å; F228-T231 PolarHBondContact O-N 2.95Å; F228-M232 WeakPolarHBondContact O-CB 3.3Å; F228-M232 PolarHBondContact O-N 2.97Å
229S87.8Confident83.7Confident0 Ų039.6 Ų39.60%020%0.201CC..Hα-helixtrans-62-37.8-178.7-57.90000111.7M74 I225 V226 G233M74-S229 WeakPolarHBondContact CG-O 3.37Å; I225-S229 WeakPolarHBondContact O-CB 3.41Å; I225-S229 PolarHBondContact O-N 3.22Å; I225-S229 PolarHBondContact O-OG 2.99Å; V226-S229 PolarHBondContact O-N 3.49Å; S229-G233 PolarHBondContact O-N 3.42Å
230A82.6Confident84.2Confident22 Ų2239.4 Ų39.418%0.18220%0.199CC..Hα-helixtrans-67.3-47.1176.900000112.3L77 V226 F228 M232 G233 I234L77-A230 VanDerWaalsContact CD1-CA 3.44Å; L77-A230 HydrophobicContact CD1-CB 3.53Å; V226-A230 VanDerWaalsContact O-CB 3.25Å; V226-A230 WeakPolarHBondContact O-CB 3.29Å; V226-A230 PolarHBondContact O-N 2.63Å; F228-A230 VanDerWaalsContact C-N 3.28Å; F228-A230 PolarHBondContact O-N 3.27Å; A230-M232 VanDerWaalsContact C-N 3.33Å; A230-M232 PolarHBondContact O-N 3.04Å; A230-G233 PolarHBondContact O-N 3.23Å; A230-I234 WeakPolarHBondContact O-CG1 3.46Å; A230-I234 PolarHBondContact O-N 3.45Å
231T86.7Confident84.6Confident63 Ų6346.5 Ų46.539%0.38723%0.232SC..Hα-helixtrans-60-45.8176.4-56.80000110.7F227 F228 I234 M235F227-T231 WeakPolarHBondContact O-CB 3.45Å; F227-T231 PolarHBondContact O-N 3.37Å; F227-T231 PolarHBondContact O-OG1 2.88Å; F228-T231 PolarHBondContact O-N 2.95Å; T231-I234 PolarHBondContact O-N 3.46Å; T231-M235 WeakPolarHBondContact O-CG 3.34Å; T231-M235 PolarHBondContact O-N 3.03Å
232M89.9Confident85Confident61 Ų6151 Ų5130%0.326%0.264SS..Hα-helixtrans-63.5-43.5178-169.863.5179.100112M74 F228 A230 I234 M235 L236 L246M74-M232 HydrophobicContact CE-CB 4.35Å; M74-M232 HydrophobicContact CE-CG 3.62Å; M74-M232 HydrophobicContact SD-CG 4.46Å; F228-M232 WeakPolarHBondContact O-CB 3.3Å; F228-M232 PolarHBondContact O-N 2.97Å; A230-M232 VanDerWaalsContact C-N 3.33Å; A230-M232 PolarHBondContact O-N 3.04Å; M232-I234 PolarHBondContact O-N 3.46Å; M232-M235 PolarHBondContact O-N 3.06Å; M232-L236 HydrophobicContact CE-CD1 4.28Å; M232-L236 HydrophobicContact CE-CD2 4.07Å; M232-L236 HydrophobicContact CE-CG 4.16Å; M232-L236 HydrophobicContact CG-CD1 4.12Å; M232-L236 HydrophobicContact CG-CG 4.41Å; M232-L236 WeakPolarHBondContact O-CB 3.42Å; M232-L236 VanDerWaalsContact O-CG 3.29Å; M232-L236 WeakPolarHBondContact O-CG 3.37Å; M232-L236 PolarHBondContact O-N 3.07Å; M232-L246 HydrophobicContact CE-CD2 3.84Å
233G86.2Confident85.6Confident0 Ų051 Ų510%026%0.264CS..Hα-helixtrans-57.5-46.6175.700000112.6M74 A78 S229 A230 M235 L236 G237M74-G233 WeakPolarHBondContact O-CA 3.3Å; A78-G233 WeakPolarHBondContact CA-O 3.25Å; A78-G233 VanDerWaalsContact CB-O 3.26Å; A78-G233 WeakPolarHBondContact CB-O 3.48Å; A78-G233 PolarHBondContact N-O 3.11Å; S229-G233 PolarHBondContact O-N 3.42Å; A230-G233 PolarHBondContact O-N 3.23Å; G233-M235 PolarHBondContact O-N 3.44Å; G233-L236 PolarHBondContact O-N 3.46Å; G233-G237 PolarHBondContact O-N 3.02Å
234I83.2Confident86.3Confident69 Ų6952.6 Ų52.635%0.35428%0.279SS..Hα-helixtrans-64.1-41.3177.3-63166.7000111.2L77 A230 T231 M232 G237 R238L77-I234 HydrophobicContact CB-CG1 4.16Å; L77-I234 HydrophobicContact CD1-CG1 4.49Å; A230-I234 WeakPolarHBondContact O-CG1 3.46Å; A230-I234 PolarHBondContact O-N 3.45Å; T231-I234 PolarHBondContact O-N 3.46Å; M232-I234 PolarHBondContact O-N 3.46Å; I234-G237 PolarHBondContact O-N 2.81Å; I234-R238 PolarHBondContact O-N 3.27Å; I234-R238 VanDerWaalsContact O-N 3.14Å
235M88.1Confident86.8Confident89 Ų8957 Ų5744%0.43831%0.308SS..Hα-helixtrans-64-42.4177-69.8-55.7105.100111.6T231 M232 G233 G237 R238 M239T231-M235 WeakPolarHBondContact O-CG 3.34Å; T231-M235 PolarHBondContact O-N 3.03Å; M232-M235 PolarHBondContact O-N 3.06Å; G233-M235 PolarHBondContact O-N 3.44Å; M235-G237 PolarHBondContact O-N 3.46Å; M235-R238 WeakPolarHBondContact O-CA 3.21Å; M235-R238 WeakPolarHBondContact O-CB 3.33Å; M235-R238 PolarHBondContact O-N 3.31Å; M235-M239 WeakPolarHBondContact O-CG 3.41Å; M235-M239 PolarHBondContact O-N 2.83Å
236L88.3Confident87.1Confident5 Ų559.9 Ų59.93%0.02632%0.323CS..Hα-helixtrans-63-40.5177-71.4171.8000112.6M74 A78 M232 G233 R238 M239 L246 V247M74-L236 HydrophobicContact CE-CD1 3.66Å; A78-L236 HydrophobicContact CB-CB 4.07Å; M232-L236 HydrophobicContact CE-CD1 4.28Å; M232-L236 HydrophobicContact CE-CD2 4.07Å; M232-L236 HydrophobicContact CE-CG 4.16Å; M232-L236 HydrophobicContact CG-CD1 4.12Å; M232-L236 HydrophobicContact CG-CG 4.41Å; M232-L236 WeakPolarHBondContact O-CB 3.42Å; M232-L236 VanDerWaalsContact O-CG 3.29Å; M232-L236 WeakPolarHBondContact O-CG 3.37Å; M232-L236 PolarHBondContact O-N 3.07Å; G233-L236 PolarHBondContact O-N 3.46Å; L236-R238 VanDerWaalsContact C-N 3.25Å; L236-R238 PolarHBondContact O-N 3.06Å; L236-M239 HydrophobicContact CD2-SD 4.05Å; L236-M239 PolarHBondContact O-N 3.3Å; L236-L246 HydrophobicContact CD1-CB 4.36Å; L236-L246 HydrophobicContact CD1-CD2 3.78Å; L236-L246 HydrophobicContact CD1-CG 3.99Å; L236-L246 HydrophobicContact CD2-CB 4.18Å; L236-L246 HydrophobicContact CD2-CD2 3.82Å; L236-L246 HydrophobicContact CD2-CG 4.4Å; L236-L246 HydrophobicContact CG-CD2 4.4Å; L236-V247 HydrophobicContact CB-CG2 3.9Å; L236-V247 HydrophobicContact CD1-CG2 4.41Å
237G82.8Confident87.4Confident11 Ų1160.2 Ų60.211%0.11332%0.324CS..Hα-helixtrans-61.1-34172.500000112.8A78 G233 I234 M235A78-G237 WeakPolarHBondContact O-CA 3.38Å; G233-G237 PolarHBondContact O-N 3.02Å; I234-G237 PolarHBondContact O-N 2.81Å; M235-G237 PolarHBondContact O-N 3.46Å
238R83.7Confident87.6Confident160 Ų16059.5 Ų59.560%0.60433%0.329SS*.Hα-helixtrans-74.4-29.4176-76.5-165.2144.594.94.4114.2A82 I234 M235 L236 G240A82-R238 HydrophobicContact CB-CG 3.74Å; I234-R238 PolarHBondContact O-N 3.27Å; I234-R238 VanDerWaalsContact O-N 3.14Å; M235-R238 WeakPolarHBondContact O-CA 3.21Å; M235-R238 WeakPolarHBondContact O-CB 3.33Å; M235-R238 PolarHBondContact O-N 3.31Å; L236-R238 VanDerWaalsContact C-N 3.25Å; L236-R238 PolarHBondContact O-N 3.06Å; R238-G240 PolarHBondContact O-N 3.27Å
239M86.6Confident87.8Confident97 Ų9761.2 Ų61.248%0.47834%0.336SS..Hα-helixtrans-68.3-17.8177.3-69.5171.27100112.6M235 L236 E241M235-M239 WeakPolarHBondContact O-CG 3.41Å; M235-M239 PolarHBondContact O-N 2.83Å; L236-M239 HydrophobicContact CD2-SD 4.05Å; L236-M239 PolarHBondContact O-N 3.3Å; M239-E241 PolarHBondContact O-N 3.12Å
240G83.2Confident87.8Confident25 Ų2561.5 Ų61.526%0.25834%0.338SS..G310 helixtrans62.3-127.9-179.700000111.3R238 S242 G243 A244R238-G240 PolarHBondContact O-N 3.27Å; G240-S242 VanDerWaalsContact C-N 3.28Å; G240-S242 PolarHBondContact O-N 2.76Å; G240-G243 PolarHBondContact O-N 3Å; G240-A244 PolarHBondContact O-N 3.02Å
241E86.6Confident87.9Confident179 Ų17964.2 Ų64.284%0.83635%0.347SS*.G310 helixtrans-58.3-36-176.9-63.1-171.3163.600113.5M239 G243 A244 P245M239-E241 PolarHBondContact O-N 3.12Å; E241-G243 PolarHBondContact O-N 2.83Å; E241-A244 WeakPolarHBondContact O-CB 3.38Å; E241-A244 PolarHBondContact O-N 3.46Å; E241-P245 WeakPolarHBondContact O-CD 3.35Å
242S90.8Very high88Confident99 Ų9964.9 Ų64.969%0.69235%0.353SS*.G310 helixtrans-65.8-26.9177.2-52.80000113G240G240-S242 VanDerWaalsContact C-N 3.28Å; G240-S242 PolarHBondContact O-N 2.76Å
243G89.4Confident87.9Confident1 Ų164.9 Ų64.91%0.0135%0.354CS..THydrogen-bonded Turntrans-87-19.2176.300000113.7G240 E241 P245 L246 V247G240-G243 PolarHBondContact O-N 3Å; E241-G243 PolarHBondContact O-N 2.83Å; G243-P245 VanDerWaalsContact C-CD 3.47Å; G243-L246 PolarHBondContact O-N 2.95Å; G243-L246 VanDerWaalsContact O-N 3.14Å; G243-V247 WeakPolarHBondContact O-CG2 3.47Å; G243-V247 PolarHBondContact O-N 3.21Å; G243-V247 VanDerWaalsContact O-N 3.12Å
244A88.6Confident87.6Confident44 Ų4465.8 Ų65.836%0.36436%0.359SS..Hα-helixtrans-56.4-39.2-172.400000114.9G240 E241 L246 V247 S248G240-A244 PolarHBondContact O-N 3.02Å; E241-A244 WeakPolarHBondContact O-CB 3.38Å; E241-A244 PolarHBondContact O-N 3.46Å; A244-L246 VanDerWaalsContact C-N 3.35Å; A244-L246 PolarHBondContact O-N 3.4Å; A244-V247 PolarHBondContact O-N 3.43Å; A244-S248 WeakPolarHBondContact O-CB 3.42Å; A244-S248 PolarHBondContact O-N 3Å; A244-S248 PolarHBondContact O-OG 3.11Å
245P94.8Very high87.3Confident93 Ų9366.6 Ų66.660%0.60436%0.361SS*.Hα-helixtrans-60.8-41.9177.1-25.135.2000112.8E241 G243 S248 F249E241-P245 WeakPolarHBondContact O-CD 3.35Å; G243-P245 VanDerWaalsContact C-CD 3.47Å; P245-S248 PolarHBondContact O-N 3.04Å; P245-F249 PolarHBondContact O-N 3.35Å
246L92.9Very high87Confident69 Ų6965.4 Ų65.436%0.36136%0.362SS..Hα-helixtrans-74.3-35.2-178.8-171.358.9000111.9M74 M232 L236 G243 A244 F249 C250M74-L246 HydrophobicContact CE-CD2 4.36Å; M232-L246 HydrophobicContact CE-CD2 3.84Å; L236-L246 HydrophobicContact CD1-CB 4.36Å; L236-L246 HydrophobicContact CD1-CD2 3.78Å; L236-L246 HydrophobicContact CD1-CG 3.99Å; L236-L246 HydrophobicContact CD2-CB 4.18Å; L236-L246 HydrophobicContact CD2-CD2 3.82Å; L236-L246 HydrophobicContact CD2-CG 4.4Å; L236-L246 HydrophobicContact CG-CD2 4.4Å; G243-L246 PolarHBondContact O-N 2.95Å; G243-L246 VanDerWaalsContact O-N 3.14Å; A244-L246 VanDerWaalsContact C-N 3.35Å; A244-L246 PolarHBondContact O-N 3.4Å; L246-F249 HydrophobicContact CD1-CD1 4.18Å; L246-F249 PolarHBondContact O-N 3.35Å; L246-C250 PolarHBondContact O-N 3.05Å; L246-C250 PolarHBondContact O-SG 3Å
247V88.6Confident86.5Confident18 Ų1865.6 Ų65.611%0.10936%0.363CS..Hα-helixtrans-62.3-45.5172.3177.40000110.6A78 L236 G243 A244 F249 C250 Q251A78-V247 HydrophobicContact CB-CB 4.37Å; A78-V247 HydrophobicContact CB-CG1 4.03Å; A78-V247 HydrophobicContact CB-CG2 3.39Å; L236-V247 HydrophobicContact CB-CG2 3.9Å; L236-V247 HydrophobicContact CD1-CG2 4.41Å; G243-V247 WeakPolarHBondContact O-CG2 3.47Å; G243-V247 PolarHBondContact O-N 3.21Å; G243-V247 VanDerWaalsContact O-N 3.12Å; A244-V247 PolarHBondContact O-N 3.43Å; V247-F249 VanDerWaalsContact C-N 3.35Å; V247-F249 PolarHBondContact O-N 3.3Å; V247-C250 PolarHBondContact O-N 3.33Å; V247-Q251 WeakPolarHBondContact O-CG 3.49Å; V247-Q251 PolarHBondContact O-N 3.31Å
248S88.9Confident85.8Confident57 Ų5766 Ų6640%0.39936%0.362SS..Hα-helixtrans-62.3-42.2177.8-55.90000111.4A244 P245 C250 Q251 C252A244-S248 WeakPolarHBondContact O-CB 3.42Å; A244-S248 PolarHBondContact O-N 3Å; A244-S248 PolarHBondContact O-OG 3.11Å; P245-S248 PolarHBondContact O-N 3.04Å; S248-C250 PolarHBondContact O-N 2.87Å; S248-Q251 PolarHBondContact O-N 3.17Å; S248-C252 PolarHBondContact O-N 3.44Å; S248-C252 PolarHBondContact O-SG 2.88Å
249F94.1Very high85.4Confident124 Ų12465.5 Ų65.554%0.54436%0.364SS..Hα-helixtrans-57.9-47.6172.2172-95.5000112P245 L246 V247 Q251 C252 L253P245-F249 PolarHBondContact O-N 3.35Å; L246-F249 HydrophobicContact CD1-CD1 4.18Å; L246-F249 PolarHBondContact O-N 3.35Å; V247-F249 VanDerWaalsContact C-N 3.35Å; V247-F249 PolarHBondContact O-N 3.3Å; F249-Q251 VanDerWaalsContact C-N 3.3Å; F249-Q251 PolarHBondContact O-N 3.15Å; F249-C252 PolarHBondContact O-N 3.4Å; F249-L253 HydrophobicContact CE1-CD2 4.29Å; F249-L253 WeakPolarHBondContact O-CB 3.4Å; F249-L253 PolarHBondContact O-N 3.47Å
250C88.4Confident84.9Confident5 Ų565.3 Ų65.33%0.03436%0.364CS..Hα-helixtrans-62.3-38.2178.4-67.20000111.9S71 M74 L246 V247 S248 L253 N254S71-C250 WeakPolarHBondContact CB-O 3.22Å; M74-C250 HydrophobicContact CB-CB 4.43Å; L246-C250 PolarHBondContact O-N 3.05Å; L246-C250 PolarHBondContact O-SG 3Å; V247-C250 PolarHBondContact O-N 3.33Å; S248-C250 PolarHBondContact O-N 2.87Å; C250-L253 PolarHBondContact O-N 3.27Å; C250-N254 WeakPolarHBondContact O-CB 2.83Å; C250-N254 PolarHBondContact O-N 3.32Å
251Q85Confident84.2Confident80 Ų8064.4 Ų64.437%0.37435%0.354SS..Hα-helixtrans-63.2-48.4174.6-71.5171.6-14.800111.5V247 S248 F249 L253 N254 E255V247-Q251 WeakPolarHBondContact O-CG 3.49Å; V247-Q251 PolarHBondContact O-N 3.31Å; S248-Q251 PolarHBondContact O-N 3.17Å; F249-Q251 VanDerWaalsContact C-N 3.3Å; F249-Q251 PolarHBondContact O-N 3.15Å; Q251-L253 VanDerWaalsContact C-N 3.32Å; Q251-L253 PolarHBondContact O-N 2.91Å; Q251-N254 WeakPolarHBondContact O-CB 3.43Å; Q251-N254 PolarHBondContact O-N 3.27Å; Q251-E255 WeakPolarHBondContact O-CG 3.36Å; Q251-E255 PolarHBondContact O-N 3.45Å
252C88.7Confident83.3Confident77 Ų7758.1 Ų58.152%0.5233%0.333SS..Hα-helixtrans-59.6-41.2176.5-69.90000112.3S248 F249 S256S248-C252 PolarHBondContact O-N 3.44Å; S248-C252 PolarHBondContact O-SG 2.88Å; F249-C252 PolarHBondContact O-N 3.4Å; C252-S256 WeakPolarHBondContact O-CB 3.33Å; C252-S256 PolarHBondContact O-N 3.31Å; C252-S256 PolarHBondContact O-OG 2.76Å
253L87.2Confident82.6Confident60 Ų6058.4 Ų58.431%0.31433%0.33SS..Hα-helixtrans-64.1-47.217618059.7000110.9F249 C250 Q251 E255 S256 V257F249-L253 HydrophobicContact CE1-CD2 4.29Å; F249-L253 WeakPolarHBondContact O-CB 3.4Å; F249-L253 PolarHBondContact O-N 3.47Å; C250-L253 PolarHBondContact O-N 3.27Å; Q251-L253 VanDerWaalsContact C-N 3.32Å; Q251-L253 PolarHBondContact O-N 2.91Å; L253-E255 PolarHBondContact O-N 2.67Å; L253-S256 PolarHBondContact O-N 2.9Å; L253-V257 HydrophobicContact CD1-CG2 4.14Å; L253-V257 HydrophobicContact CG-CG2 4.43Å; L253-V257 VanDerWaalsContact O-CG2 3.25Å; L253-V257 WeakPolarHBondContact O-CG2 3.18Å; L253-V257 PolarHBondContact O-N 3.2Å
254N79.3Confident81.8Confident19 Ų1958.5 Ų58.510%0.10233%0.33CS..Hα-helixtrans-57.4-50.1177.1-17435.8000110.9L68 S71 C250 Q251 S256 V257 M258L68-N254 WeakPolarHBondContact CD1-OD1 3.41Å; S71-N254 WeakPolarHBondContact OG-CA 3.35Å; C250-N254 WeakPolarHBondContact O-CB 2.83Å; C250-N254 PolarHBondContact O-N 3.32Å; Q251-N254 WeakPolarHBondContact O-CB 3.43Å; Q251-N254 PolarHBondContact O-N 3.27Å; N254-S256 VanDerWaalsContact C-N 3.29Å; N254-S256 PolarHBondContact O-N 3.22Å; N254-V257 PolarHBondContact O-N 2.91Å; N254-M258 WeakPolarHBondContact O-CB 3.47Å; N254-M258 WeakPolarHBondContact O-CG 3.35Å; N254-M258 PolarHBondContact O-N 2.99Å
255E77.3Confident80.8Confident87 Ų8757 Ų5741%0.40732%0.317SS..Hα-helixtrans-59.9-37.8177.2-73.8-173.4-168.800113.3Q251 L253 M258 K259Q251-E255 WeakPolarHBondContact O-CG 3.36Å; Q251-E255 PolarHBondContact O-N 3.45Å; L253-E255 PolarHBondContact O-N 2.67Å; E255-M258 WeakPolarHBondContact O-CB 3.35Å; E255-M258 PolarHBondContact O-N 3.39Å; E255-K259 PolarHBondContact O-N 3.27Å
256S82.4Confident80Confident64 Ų6460.3 Ų60.345%0.44832%0.317SS..Hα-helixtrans-67.4-46.4177.6-60.70000111.5C252 L253 N254 M258 K259 I260C252-S256 WeakPolarHBondContact O-CB 3.33Å; C252-S256 PolarHBondContact O-N 3.31Å; C252-S256 PolarHBondContact O-OG 2.76Å; L253-S256 PolarHBondContact O-N 2.9Å; N254-S256 VanDerWaalsContact C-N 3.29Å; N254-S256 PolarHBondContact O-N 3.22Å; S256-M258 VanDerWaalsContact C-N 3.27Å; S256-M258 PolarHBondContact O-N 2.9Å; S256-K259 WeakPolarHBondContact O-CB 3.34Å; S256-K259 PolarHBondContact O-N 2.95Å; S256-K259 VanDerWaalsContact O-N 3.15Å; S256-I260 PolarHBondContact O-N 3.28Å
257V77.8Confident79.4Confident9 Ų959.7 Ų59.76%0.05531%0.31CS..Hα-helixtrans-60.7-40.6175.4175.40000110.2M64 P67 L68 L253 N254 K259 I260 V261M64-V257 HydrophobicContact CE-CG1 3.75Å; M64-V257 WeakPolarHBondContact CE-O 3.18Å; P67-V257 HydrophobicContact CB-CG2 3.91Å; P67-V257 HydrophobicContact CG-CG1 4.47Å; P67-V257 HydrophobicContact CG-CG2 4.22Å; L68-V257 HydrophobicContact CB-CG1 4.1Å; L68-V257 HydrophobicContact CD1-CG1 4.1Å; L253-V257 HydrophobicContact CD1-CG2 4.14Å; L253-V257 HydrophobicContact CG-CG2 4.43Å; L253-V257 VanDerWaalsContact O-CG2 3.25Å; L253-V257 WeakPolarHBondContact O-CG2 3.18Å; L253-V257 PolarHBondContact O-N 3.2Å; N254-V257 PolarHBondContact O-N 2.91Å; V257-K259 VanDerWaalsContact C-N 3.29Å; V257-K259 PolarHBondContact O-N 3.4Å; V257-I260 CarbonylContact O-C 3.21Å; V257-I260 WeakPolarHBondContact O-CA 3.5Å; V257-I260 WeakPolarHBondContact O-CB 3.42Å; V257-I260 PolarHBondContact O-N 2.91Å; V257-V261 HydrophobicContact CG1-CG2 4.48Å; V257-V261 WeakPolarHBondContact O-CG2 3.47Å; V257-V261 PolarHBondContact O-N 3.48Å
258M67.3Low78.8Confident20 Ų2059.2 Ų59.210%0.09931%0.307CS..Hα-helixtrans-60-34.5176.4-77.1-54.5-45.900113.7L68 N254 E255 S256 V261 A262 P399 G480 I481L68-M258 HydrophobicContact CD1-SD 4.01Å; N254-M258 WeakPolarHBondContact O-CB 3.47Å; N254-M258 WeakPolarHBondContact O-CG 3.35Å; N254-M258 PolarHBondContact O-N 2.99Å; E255-M258 WeakPolarHBondContact O-CB 3.35Å; E255-M258 PolarHBondContact O-N 3.39Å; S256-M258 VanDerWaalsContact C-N 3.27Å; S256-M258 PolarHBondContact O-N 2.9Å; M258-V261 WeakPolarHBondContact O-CB 3.33Å; M258-V261 PolarHBondContact O-N 2.96Å; M258-V261 HydrophobicContact SD-CG2 4.35Å; M258-A262 PolarHBondContact O-N 3.42Å; M258-P399 HydrophobicContact CG-CB 4.41Å; M258-G480 VanDerWaalsContact CE-C 3.48Å; M258-G480 WeakPolarHBondContact CE-O 3.27Å; M258-I481 HydrophobicContact SD-CG1 4.08Å
259K75.1Confident78.3Confident149 Ų14956.9 Ų56.965%0.64829%0.29SS*.Hα-helixtrans-67.2-38.5171.8-69.6174-176170.60111.8E255 S256 V257 V261 A262 V263E255-K259 PolarHBondContact O-N 3.27Å; S256-K259 WeakPolarHBondContact O-CB 3.34Å; S256-K259 PolarHBondContact O-N 2.95Å; S256-K259 VanDerWaalsContact O-N 3.15Å; V257-K259 VanDerWaalsContact C-N 3.29Å; V257-K259 PolarHBondContact O-N 3.4Å; K259-V261 VanDerWaalsContact C-N 3.32Å; K259-A262 WeakPolarHBondContact O-CB 3.35Å; K259-A262 PolarHBondContact O-N 2.96Å; K259-V263 PolarHBondContact O-N 2.92Å
260I77.6Confident78Confident92 Ų9256 Ų5647%0.47229%0.287SS..Hα-helixtrans-63.9-40.4173.4-58.2170.6000109.9M64 S256 V257 A262 V263 A264M64-I260 HydrophobicContact CE-CB 3.63Å; M64-I260 HydrophobicContact CE-CG2 3.52Å; M64-I260 HydrophobicContact SD-CG2 4.31Å; S256-I260 PolarHBondContact O-N 3.28Å; V257-I260 CarbonylContact O-C 3.21Å; V257-I260 WeakPolarHBondContact O-CA 3.5Å; V257-I260 WeakPolarHBondContact O-CB 3.42Å; V257-I260 PolarHBondContact O-N 2.91Å; I260-A262 VanDerWaalsContact C-N 3.26Å; I260-A262 PolarHBondContact O-N 3.44Å; I260-V263 PolarHBondContact O-N 3.39Å; I260-V263 VanDerWaalsContact O-N 3.11Å; I260-A264 PolarHBondContact O-N 3.12Å
261V67.1Low77.8Confident6 Ų655.8 Ų55.84%0.03629%0.285CS..Hα-helixtrans-60.2-43.1177.91760000109M64 V257 M258 K259 V263 A264 V265 I481M64-V261 HydrophobicContact CE-CB 4.04Å; M64-V261 HydrophobicContact CE-CG2 3.24Å; M64-V261 VanDerWaalsContact CE-N 3.34Å; M64-V261 HydrophobicContact SD-CB 4.12Å; M64-V261 HydrophobicContact SD-CG2 3.56Å; M64-V261 VanDerWaalsContact SD-CG2 3.56Å; V257-V261 HydrophobicContact CG1-CG2 4.48Å; V257-V261 WeakPolarHBondContact O-CG2 3.47Å; V257-V261 PolarHBondContact O-N 3.48Å; M258-V261 WeakPolarHBondContact O-CB 3.33Å; M258-V261 PolarHBondContact O-N 2.96Å; M258-V261 HydrophobicContact SD-CG2 4.35Å; K259-V261 VanDerWaalsContact C-N 3.32Å; V261-V263 VanDerWaalsContact C-N 3.25Å; V261-V263 PolarHBondContact O-N 3.17Å; V261-A264 PolarHBondContact O-N 3.47Å; V261-A264 VanDerWaalsContact O-N 3.12Å; V261-V265 HydrophobicContact CG1-CG2 3.92Å; V261-V265 WeakPolarHBondContact O-CB 3.32Å; V261-V265 WeakPolarHBondContact O-CG2 3.44Å; V261-V265 PolarHBondContact O-N 3.42Å; V261-I481 HydrophobicContact CG1-CG2 4.21Å
262A68.2Low77.6Confident48 Ų4852 Ų5240%0.39727%0.268SS..Hα-helixtrans-58.8-36.8179.400000112.7M258 K259 I260 W266M258-A262 PolarHBondContact O-N 3.42Å; K259-A262 WeakPolarHBondContact O-CB 3.35Å; K259-A262 PolarHBondContact O-N 2.96Å; I260-A262 VanDerWaalsContact C-N 3.26Å; I260-A262 PolarHBondContact O-N 3.44Å; A262-W266 VanDerWaalsContact O-CD1 3.23Å; A262-W266 PolarHBondContact O-N 3.21Å
263V77Confident77.6Confident104 Ų10449.2 Ų49.263%0.6325%0.248SC*.Hα-helixtrans-68.8-46.8174179.10000110.8K259 I260 V261 V265 W266 Y267K259-V263 PolarHBondContact O-N 2.92Å; I260-V263 PolarHBondContact O-N 3.39Å; I260-V263 VanDerWaalsContact O-N 3.11Å; V261-V263 VanDerWaalsContact C-N 3.25Å; V261-V263 PolarHBondContact O-N 3.17Å; V263-V265 VanDerWaalsContact C-N 3.25Å; V263-V265 PolarHBondContact O-N 3.14Å; V263-W266 WeakPolarHBondContact O-CB 3.42Å; V263-W266 PolarHBondContact O-N 3.18Å; V263-Y267 PolarHBondContact O-N 3.3Å
264A71.5Confident77.7Confident3 Ų348.3 Ų48.33%0.02524%0.242CC..Hα-helixtrans-58.9-37.5176.800000112.5M60 M64 I260 V261 W266 Y267 F268M60-A264 HydrophobicContact CE-CB 3.74Å; M64-A264 HydrophobicContact SD-CB 4.28Å; I260-A264 PolarHBondContact O-N 3.12Å; V261-A264 PolarHBondContact O-N 3.47Å; V261-A264 VanDerWaalsContact O-N 3.12Å; A264-W266 PolarHBondContact O-N 3Å; A264-Y267 WeakPolarHBondContact O-CB 3.43Å; A264-Y267 PolarHBondContact O-N 3.25Å; A264-F268 PolarHBondContact O-N 3.29Å; A264-F268 VanDerWaalsContact O-N 3.07Å
265V68.6Low77.8Confident12 Ų1248 Ų487%0.07324%0.24CC..Hα-helixtrans-64.7-25.6176.5167.90000112.4L19 V261 V263 F268 P482L19-V265 HydrophobicContact CD1-CG1 4.38Å; L19-V265 WeakPolarHBondContact CD1-O 3.26Å; L19-V265 HydrophobicContact CD2-CG1 3.34Å; L19-V265 HydrophobicContact CG-CG1 4.46Å; V261-V265 HydrophobicContact CG1-CG2 3.92Å; V261-V265 WeakPolarHBondContact O-CB 3.32Å; V261-V265 WeakPolarHBondContact O-CG2 3.44Å; V261-V265 PolarHBondContact O-N 3.42Å; V263-V265 VanDerWaalsContact C-N 3.25Å; V263-V265 PolarHBondContact O-N 3.14Å; V265-F268 WeakPolarHBondContact O-CB 3.08Å; V265-F268 PolarHBondContact O-N 2.82Å; V265-P482 HydrophobicContact CG2-CB 4.28Å
266W76.8Confident78.1Confident164 Ų16444.4 Ų44.462%0.62122%0.223SC*.Hα-helixtrans-75.8-28.3171.8-82.6105.5000113.2L19 L22 A262 V263 A264 F268 P269L19-W266 HydrophobicContact CD1-CE3 4.47Å; L22-W266 HydrophobicContact CD1-CZ3 4.44Å; A262-W266 VanDerWaalsContact O-CD1 3.23Å; A262-W266 PolarHBondContact O-N 3.21Å; V263-W266 WeakPolarHBondContact O-CB 3.42Å; V263-W266 PolarHBondContact O-N 3.18Å; A264-W266 PolarHBondContact O-N 3Å; W266-F268 VanDerWaalsContact C-N 3.29Å; W266-P269 WeakPolarHBondContact O-CD 3.35Å
267Y81.1Confident78.4Confident55 Ų5541.4 Ų41.422%0.21620%0.202CC..Hα-helixtrans-74.3-23.4171.1-175.8-103.1000112.1P53 L57 M60 V263 A264 F270 G271P53-Y267 WeakPolarHBondContact CA-OH 3.26Å; P53-Y267 WeakPolarHBondContact O-CE1 3.26Å; P53-Y267 PolarHBondContact O-OH 3.4Å; L57-Y267 HydrophobicContact CB-CD1 4.12Å; L57-Y267 HydrophobicContact CB-CE1 3.87Å; L57-Y267 HydrophobicContact CD1-CD1 3.98Å; M60-Y267 HydrophobicContact SD-CD1 3.94Å; M60-Y267 HydrophobicContact SD-CE1 4.37Å; M60-Y267 HydrophobicContact SD-CG 4.44Å; V263-Y267 PolarHBondContact O-N 3.3Å; A264-Y267 WeakPolarHBondContact O-CB 3.43Å; A264-Y267 PolarHBondContact O-N 3.25Å; Y267-F270 HydrophobicContact CD2-CD1 4.07Å; Y267-F270 AromaticContact CE2-CD1 3.39Å; Y267-F270 HydrophobicContact CE2-CD1 3.39Å; Y267-F270 AromaticContact CE2-CE1 3.83Å; Y267-F270 HydrophobicContact CE2-CE1 3.83Å; Y267-F270 HydrophobicContact CE2-CG 4.48Å; Y267-F270 AromaticContact CZ-CD1 3.71Å; Y267-F270 WeakPolarHBondContact O-CB 3.47Å; Y267-F270 PolarHBondContact O-N 3.38Å; Y267-G271 PolarHBondContact O-N 3.07Å
268F74.8Confident78.6Confident8 Ų841 Ų414%0.03520%0.2CC..Hα-helixtrans-51.1-50-175.4-172.4-101.4000114.9L57 A264 V265 W266 F270 G271 I272 Q483 L486 I507L57-F268 HydrophobicContact CD1-CB 4.44Å; L57-F268 HydrophobicContact CD1-CD2 3.99Å; L57-F268 HydrophobicContact CD2-CD2 3.7Å; L57-F268 HydrophobicContact CD2-CE2 4.1Å; L57-F268 HydrophobicContact CD2-CG 4.44Å; L57-F268 HydrophobicContact CG-CD2 4.36Å; A264-F268 PolarHBondContact O-N 3.29Å; A264-F268 VanDerWaalsContact O-N 3.07Å; V265-F268 WeakPolarHBondContact O-CB 3.08Å; V265-F268 PolarHBondContact O-N 2.82Å; W266-F268 VanDerWaalsContact C-N 3.29Å; F268-F270 VanDerWaalsContact C-N 3.26Å; F268-F270 PolarHBondContact O-N 3.39Å; F268-G271 PolarHBondContact O-N 3.27Å; F268-I272 HydrophobicContact CD1-CD1 3.36Å; F268-I272 HydrophobicContact CD1-CG1 4.13Å; F268-I272 HydrophobicContact CE1-CD1 2.97Å; F268-I272 HydrophobicContact CE1-CG1 3.83Å; F268-I272 HydrophobicContact CE2-CD1 4.24Å; F268-I272 HydrophobicContact CE2-CG1 4.21Å; F268-I272 HydrophobicContact CG-CD1 4.13Å; F268-I272 HydrophobicContact CG-CG1 4.44Å; F268-I272 HydrophobicContact CZ-CD1 3.44Å; F268-I272 VanDerWaalsContact CZ-CD1 3.44Å; F268-I272 HydrophobicContact CZ-CG1 3.82Å; F268-I272 VanDerWaalsContact O-CG1 3.27Å; F268-I272 WeakPolarHBondContact O-CG1 3.48Å; F268-I272 PolarHBondContact O-N 3.05Å; F268-Q483 VanDerWaalsContact CE1-NE2 3.31Å; F268-Q483 VanDerWaalsContact CZ-CD 3.45Å; F268-L486 HydrophobicContact CE2-CD1 3.9Å; F268-L486 HydrophobicContact CZ-CD1 3.72Å; F268-I507 HydrophobicContact CZ-CG2 4Å
269P79.9Confident79.2Confident8 Ų841.4 Ų41.45%0.05220%0.201CC..Hα-helixtrans-60.9-35.2178.7-20.633.2000112.7L19 L22 S26 W266L19-P269 HydrophobicContact CD1-CG 3.76Å; L22-P269 HydrophobicContact CB-CB 4Å; L22-P269 HydrophobicContact CB-CG 4.01Å; S26-P269 WeakPolarHBondContact CB-O 3.49Å; S26-P269 VanDerWaalsContact OG-C 3.26Å; S26-P269 WeakPolarHBondContact OG-CB 3.38Å; S26-P269 PolarHBondContact OG-O 2.94Å; W266-P269 WeakPolarHBondContact O-CD 3.35Å
270F87.4Confident79.7Confident106 Ų10635 Ų3547%0.46517%0.174SC..Hα-helixtrans-69.7-48.6177.3176.8-101000111P53 Y267 F268 I272 V273 F274P53-F270 HydrophobicContact CB-CE1 3.82Å; P53-F270 HydrophobicContact CB-CZ 4.44Å; Y267-F270 HydrophobicContact CD2-CD1 4.07Å; Y267-F270 AromaticContact CE2-CD1 3.39Å; Y267-F270 HydrophobicContact CE2-CD1 3.39Å; Y267-F270 AromaticContact CE2-CE1 3.83Å; Y267-F270 HydrophobicContact CE2-CE1 3.83Å; Y267-F270 HydrophobicContact CE2-CG 4.48Å; Y267-F270 AromaticContact CZ-CD1 3.71Å; Y267-F270 WeakPolarHBondContact O-CB 3.47Å; Y267-F270 PolarHBondContact O-N 3.38Å; F268-F270 VanDerWaalsContact C-N 3.26Å; F268-F270 PolarHBondContact O-N 3.39Å; F270-I272 PolarHBondContact O-N 3.24Å; F270-V273 PolarHBondContact O-N 2.89Å; F270-F274 HydrophobicContact CD1-CE2 4.45Å; F270-F274 AromaticContact CD2-CE2 4Å; F270-F274 HydrophobicContact CD2-CE2 4Å; F270-F274 HydrophobicContact CE1-CD2 4.47Å; F270-F274 HydrophobicContact CE1-CE2 4.05Å; F270-F274 AromaticContact CE2-CE2 3.53Å; F270-F274 HydrophobicContact CE2-CE2 3.53Å; F270-F274 HydrophobicContact CE2-CZ 4.15Å; F270-F274 HydrophobicContact CG-CE2 4.45Å; F270-F274 HydrophobicContact CZ-CD2 4.39Å; F270-F274 AromaticContact CZ-CE2 3.56Å; F270-F274 HydrophobicContact CZ-CE2 3.56Å; F270-F274 HydrophobicContact CZ-CZ 4.17Å; F270-F274 WeakPolarHBondContact O-CD2 3.27Å
271G84.7Confident80Confident0 Ų031.8 Ų31.80%016%0.157CC..Hα-helixtrans-61.4-37.2178.800000114Y267 F268 V273 F274 L275Y267-G271 PolarHBondContact O-N 3.07Å; F268-G271 PolarHBondContact O-N 3.27Å; G271-V273 VanDerWaalsContact C-N 3.31Å; G271-V273 PolarHBondContact O-N 2.99Å; G271-F274 PolarHBondContact O-N 2.9Å; G271-L275 WeakPolarHBondContact O-CG 3.31Å; G271-L275 PolarHBondContact O-N 2.94Å
272I81.2Confident80.7Confident2 Ų235.7 Ų35.71%0.0118%0.175CC..Hα-helixtrans-58.7-40.3178.1-70.8166.4000112.4V27 F268 F270 F274 L275 I276 I507V27-I272 HydrophobicContact CG2-CG2 3.95Å; F268-I272 HydrophobicContact CD1-CD1 3.36Å; F268-I272 HydrophobicContact CD1-CG1 4.13Å; F268-I272 HydrophobicContact CE1-CD1 2.97Å; F268-I272 HydrophobicContact CE1-CG1 3.83Å; F268-I272 HydrophobicContact CE2-CD1 4.24Å; F268-I272 HydrophobicContact CE2-CG1 4.21Å; F268-I272 HydrophobicContact CG-CD1 4.13Å; F268-I272 HydrophobicContact CG-CG1 4.44Å; F268-I272 HydrophobicContact CZ-CD1 3.44Å; F268-I272 VanDerWaalsContact CZ-CD1 3.44Å; F268-I272 HydrophobicContact CZ-CG1 3.82Å; F268-I272 VanDerWaalsContact O-CG1 3.27Å; F268-I272 WeakPolarHBondContact O-CG1 3.48Å; F268-I272 PolarHBondContact O-N 3.05Å; F270-I272 PolarHBondContact O-N 3.24Å; I272-F274 VanDerWaalsContact C-N 3.28Å; I272-F274 PolarHBondContact O-N 3.23Å; I272-L275 PolarHBondContact O-N 2.91Å; I272-I276 HydrophobicContact CG2-CD1 3.34Å; I272-I276 HydrophobicContact CG2-CG1 3.85Å; I272-I276 WeakPolarHBondContact O-CB 3.39Å; I272-I276 WeakPolarHBondContact O-CG1 3.38Å; I272-I276 PolarHBondContact O-N 3.46Å; I272-I507 HydrophobicContact CD1-CG2 4.16Å; I272-I507 HydrophobicContact CG1-CG2 4.1Å
273V86.9Confident81.1Confident17 Ų1735 Ų3510%0.10316%0.164CC..Hα-helixtrans-55.5-49.3-177.5174.10000109.7S26 V29 L33 F270 G271 A277S26-V273 WeakPolarHBondContact O-CG2 3.28Å; V29-V273 HydrophobicContact CG1-CG1 4.11Å; V29-V273 HydrophobicContact CG1-CG2 4.48Å; L33-V273 HydrophobicContact CD2-CG1 4.1Å; F270-V273 PolarHBondContact O-N 2.89Å; G271-V273 VanDerWaalsContact C-N 3.31Å; G271-V273 PolarHBondContact O-N 2.99Å; V273-A277 WeakPolarHBondContact O-CB 3.26Å; V273-A277 PolarHBondContact O-N 2.9Å
274F89.4Confident81.1Confident42 Ų4237.5 Ų37.518%0.18417%0.174CC..Hα-helixtrans-74.9-35.1-178.8-61.5-83.6000112.7F50 P53 F270 G271 I272 G278F50-F274 HydrophobicContact CD2-CD1 4.33Å; F50-F274 HydrophobicContact CE1-CD1 4.32Å; F50-F274 AromaticContact CE2-CD1 3.89Å; F50-F274 HydrophobicContact CE2-CD1 3.89Å; F50-F274 AromaticContact CE2-CE1 3.97Å; F50-F274 HydrophobicContact CE2-CE1 3.97Å; F50-F274 AromaticContact CZ-CD1 3.87Å; F50-F274 HydrophobicContact CZ-CD1 3.87Å; F50-F274 HydrophobicContact CZ-CE1 4.3Å; F50-F274 WeakPolarHBondContact O-CD1 3.48Å; P53-F274 HydrophobicContact CB-CB 4.23Å; P53-F274 HydrophobicContact CB-CD2 3.7Å; P53-F274 HydrophobicContact CB-CE2 4.24Å; P53-F274 HydrophobicContact CB-CG 3.94Å; P53-F274 HydrophobicContact CG-CB 4.48Å; P53-F274 HydrophobicContact CG-CD1 4.18Å; P53-F274 HydrophobicContact CG-CD2 4.04Å; P53-F274 HydrophobicContact CG-CE1 4.46Å; P53-F274 HydrophobicContact CG-CE2 4.33Å; P53-F274 HydrophobicContact CG-CG 3.96Å; F270-F274 HydrophobicContact CD1-CE2 4.45Å; F270-F274 AromaticContact CD2-CE2 4Å; F270-F274 HydrophobicContact CD2-CE2 4Å; F270-F274 HydrophobicContact CE1-CD2 4.47Å; F270-F274 HydrophobicContact CE1-CE2 4.05Å; F270-F274 AromaticContact CE2-CE2 3.53Å; F270-F274 HydrophobicContact CE2-CE2 3.53Å; F270-F274 HydrophobicContact CE2-CZ 4.15Å; F270-F274 HydrophobicContact CG-CE2 4.45Å; F270-F274 HydrophobicContact CZ-CD2 4.39Å; F270-F274 AromaticContact CZ-CE2 3.56Å; F270-F274 HydrophobicContact CZ-CE2 3.56Å; F270-F274 HydrophobicContact CZ-CZ 4.17Å; F270-F274 WeakPolarHBondContact O-CD2 3.27Å; G271-F274 PolarHBondContact O-N 2.9Å; I272-F274 VanDerWaalsContact C-N 3.28Å; I272-F274 PolarHBondContact O-N 3.23Å; F274-G278 WeakPolarHBondContact O-CA 3.36Å; F274-G278 PolarHBondContact O-N 3.35Å
275L82.1Confident81.6Confident13 Ų1341.1 Ų41.17%0.06819%0.193CC..Hα-helixtrans-61.5-51.4173.9-76.8175.1000111.8G54 L57 M58 G271 I272 K279 T504G54-L275 VanDerWaalsContact CA-CD2 3.46Å; G54-L275 WeakPolarHBondContact O-CD2 3.48Å; L57-L275 HydrophobicContact CB-CD1 4.49Å; L57-L275 HydrophobicContact CD2-CD1 3.84Å; L57-L275 HydrophobicContact CG-CD1 4.5Å; M58-L275 HydrophobicContact CG-CD1 4.17Å; M58-L275 HydrophobicContact CG-CD2 4.14Å; M58-L275 HydrophobicContact SD-CD1 4.15Å; G271-L275 WeakPolarHBondContact O-CG 3.31Å; G271-L275 PolarHBondContact O-N 2.94Å; I272-L275 PolarHBondContact O-N 2.91Å; L275-K279 WeakPolarHBondContact O-CB 3.31Å; L275-K279 WeakPolarHBondContact O-CG 3.49Å; L275-K279 PolarHBondContact O-N 3.4Å; L275-T504 HydrophobicContact CB-CG2 4.04Å; L275-T504 HydrophobicContact CD1-CG2 4.1Å; L275-T504 HydrophobicContact CD2-CG2 3.8Å; L275-T504 HydrophobicContact CG-CG2 4.18Å
276I83.9Confident82.1Confident11 Ų1141.7 Ų41.76%0.05620%0.197CC..Hα-helixtrans-68.3-48-178-68.8-179.3000110.3V27 I272 G278 K279 I280 A508V27-I276 HydrophobicContact CB-CD1 4.14Å; V27-I276 HydrophobicContact CG1-CD1 3.97Å; V27-I276 HydrophobicContact CG2-CD1 3.81Å; I272-I276 HydrophobicContact CG2-CD1 3.34Å; I272-I276 HydrophobicContact CG2-CG1 3.85Å; I272-I276 WeakPolarHBondContact O-CB 3.39Å; I272-I276 WeakPolarHBondContact O-CG1 3.38Å; I272-I276 PolarHBondContact O-N 3.46Å; I276-G278 VanDerWaalsContact C-N 3.32Å; I276-G278 PolarHBondContact O-N 3.44Å; I276-K279 PolarHBondContact O-N 3.18Å; I276-I280 HydrophobicContact CG2-CD1 3.83Å; I276-I280 VanDerWaalsContact O-CG1 3.3Å; I276-I280 WeakPolarHBondContact O-CG1 3.38Å; I276-I280 PolarHBondContact O-N 3.35Å; I276-A508 HydrophobicContact CD1-CB 4.16Å
277A87.5Confident82.4Confident0 Ų044.2 Ų44.20%021%0.206CC..Hα-helixtrans-59.9-46.1179.100000111G30 L33 F50 V273 I280 L281G30-A277 WeakPolarHBondContact O-CA 3.45Å; G30-A277 WeakPolarHBondContact O-CB 3.17Å; L33-A277 HydrophobicContact CB-CB 4.38Å; L33-A277 HydrophobicContact CG-CB 4.4Å; F50-A277 HydrophobicContact CE1-CB 3.64Å; F50-A277 HydrophobicContact CZ-CB 3.92Å; V273-A277 WeakPolarHBondContact O-CB 3.26Å; V273-A277 PolarHBondContact O-N 2.9Å; A277-I280 PolarHBondContact O-N 3.31Å; A277-L281 WeakPolarHBondContact O-CG 3.3Å; A277-L281 PolarHBondContact O-N 2.9Å; A277-L281 VanDerWaalsContact O-N 3.15Å
278G83.7Confident82.5Confident0 Ų043 Ų430%021%0.207CC..Hα-helixtrans-62.4-41.7178.100000113.8Q51 F274 I276 L281 E282Q51-G278 PolarHBondContact NE2-O 2.97Å; F274-G278 WeakPolarHBondContact O-CA 3.36Å; F274-G278 PolarHBondContact O-N 3.35Å; I276-G278 VanDerWaalsContact C-N 3.32Å; I276-G278 PolarHBondContact O-N 3.44Å; G278-L281 WeakPolarHBondContact O-CB 3.32Å; G278-L281 PolarHBondContact O-N 3.38Å; G278-L281 VanDerWaalsContact O-N 3.12Å; G278-E282 PolarHBondContact O-N 3.44Å; G278-E282 VanDerWaalsContact O-N 3.13Å
279K79.6Confident82.8Confident29 Ų2944 Ų4413%0.12621%0.214CC..Hα-helixtrans-65.9-40.6176.3-74-81.3166.2-157.30111.9L275 I276 L281 E282 M283 D501 T504L275-K279 WeakPolarHBondContact O-CB 3.31Å; L275-K279 WeakPolarHBondContact O-CG 3.49Å; L275-K279 PolarHBondContact O-N 3.4Å; I276-K279 PolarHBondContact O-N 3.18Å; K279-L281 PolarHBondContact O-N 2.96Å; K279-E282 WeakPolarHBondContact CE-OE2 3.41Å; K279-E282 IonicContact NZ-OE2 2.75Å; K279-E282 PolarHBondContact NZ-OE2 3.26Å; K279-E282 PolarHBondContact O-N 2.95Å; K279-E282 VanDerWaalsContact O-N 3.1Å; K279-M283 WeakPolarHBondContact O-CG 3.28Å; K279-M283 PolarHBondContact O-N 3.39Å; K279-M283 VanDerWaalsContact O-N 3.11Å; K279-D501 WeakPolarHBondContact CE-O 3.39Å; K279-T504 WeakPolarHBondContact CD-OG1 3.28Å; K279-T504 HydrophobicContact CG-CG2 4.4Å; K279-T504 VanDerWaalsContact CG-OG1 3.29Å; K279-T504 WeakPolarHBondContact CG-OG1 3.34Å
280I84.7Confident83Confident16 Ų1645.7 Ų45.78%0.08223%0.233CC..Hα-helixtrans-59.1-30.4173-69167.6000111.7C31 F35 R38 I276 A277C31-I280 HydrophobicContact CB-CD1 4.37Å; F35-I280 HydrophobicContact CD1-CG2 4.33Å; F35-I280 HydrophobicContact CE1-CG2 4.41Å; F35-I280 HydrophobicContact CE2-CD1 4.41Å; R38-I280 PolarHBondContact NH1-O 2.79Å; I276-I280 HydrophobicContact CG2-CD1 3.83Å; I276-I280 VanDerWaalsContact O-CG1 3.3Å; I276-I280 WeakPolarHBondContact O-CG1 3.38Å; I276-I280 PolarHBondContact O-N 3.35Å; A277-I280 PolarHBondContact O-N 3.31Å
281L85.1Confident83Confident23 Ų2346.1 Ų46.112%0.1223%0.234CC..Hα-helixtrans-74.6-35.5175.8-66.2172.4000113L37 R38 L42 I47 F50 A277 G278 K279L37-L281 HydrophobicContact CB-CD1 4.08Å; L37-L281 HydrophobicContact CB-CD2 3.8Å; L37-L281 HydrophobicContact CB-CG 4.44Å; L37-L281 HydrophobicContact CD1-CD1 4.31Å; R38-L281 VanDerWaalsContact CA-CD2 3.49Å; R38-L281 HydrophobicContact CB-CD2 3.94Å; R38-L281 VanDerWaalsContact N-CD2 3.26Å; L42-L281 HydrophobicContact CD1-CD1 4.1Å; L42-L281 HydrophobicContact CD1-CD2 4.39Å; I47-L281 HydrophobicContact CD1-CB 4.32Å; I47-L281 HydrophobicContact CG1-CB 4.38Å; I47-L281 HydrophobicContact CG1-CD1 4.45Å; I47-L281 HydrophobicContact CG2-CB 4.37Å; F50-L281 HydrophobicContact CD1-CD1 4.08Å; F50-L281 HydrophobicContact CE1-CD1 4.28Å; A277-L281 WeakPolarHBondContact O-CG 3.3Å; A277-L281 PolarHBondContact O-N 2.9Å; A277-L281 VanDerWaalsContact O-N 3.15Å; G278-L281 WeakPolarHBondContact O-CB 3.32Å; G278-L281 PolarHBondContact O-N 3.38Å; G278-L281 VanDerWaalsContact O-N 3.12Å; K279-L281 PolarHBondContact O-N 2.96Å
282E80.8Confident83.1Confident89 Ų8947 Ų4742%0.41624%0.238SC..Hα-helixtrans-72.6-27177.4-73178.1173.800113.6I47 Q51 G278 K279I47-E282 HydrophobicContact CG2-CG 4.24Å; Q51-E282 PolarHBondContact NE2-OE1 3.47Å; Q51-E282 PolarHBondContact OE1-OE1 2.95Å; Q51-E282 VanDerWaalsContact OE1-OE1 3.11Å; G278-E282 PolarHBondContact O-N 3.44Å; G278-E282 VanDerWaalsContact O-N 3.13Å; K279-E282 WeakPolarHBondContact CE-OE2 3.41Å; K279-E282 IonicContact NZ-OE2 2.75Å; K279-E282 PolarHBondContact NZ-OE2 3.26Å; K279-E282 PolarHBondContact O-N 2.95Å; K279-E282 VanDerWaalsContact O-N 3.1Å
283M77.3Confident83.5Confident33 Ų3348.1 Ų48.116%0.16324%0.244CC..  trans-78.1132.3-172.8-66.3155.871.500111.8R38 K279 V289 L505R38-M283 PolarHBondContact NH1-O 2.91Å; R38-M283 PolarHBondContact NH2-O 2.91Å; K279-M283 WeakPolarHBondContact O-CG 3.28Å; K279-M283 PolarHBondContact O-N 3.39Å; K279-M283 VanDerWaalsContact O-N 3.11Å; M283-V289 HydrophobicContact CE-CB 3.14Å; M283-V289 HydrophobicContact CE-CG1 3.25Å; M283-V289 HydrophobicContact CE-CG2 3.45Å; M283-V289 VanDerWaalsContact CE-CG2 3.45Å; M283-L505 HydrophobicContact CE-CD2 4.17Å; M283-L505 HydrophobicContact SD-CD2 3.86Å
284D76.1Confident83.6Confident156 Ų15649 Ų4983%0.83426%0.257SS*.SBendtrans-71.6-36.9177.6-63.1-51.1000113.7R38R38-D284 VanDerWaalsContact NH2-C 3.3Å; R38-D284 PolarHBondContact NH2-O 3Å
285D81.3Confident83.6Confident80 Ų8051 Ų5143%0.42827%0.265SS..  trans-132.1100.1175.4-176.69000112.9R287 A288 V289D285-R287 VanDerWaalsContact C-N 3.27Å; D285-R287 PolarHBondContact O-N 2.82Å; D285-R287 WeakPolarHBondContact OD1-CB 3.16Å; D285-R287 PolarHBondContact OD1-N 3.28Å; D285-A288 HydrophobicContact CB-CB 4.14Å; D285-A288 PolarHBondContact OD1-N 3.49Å; D285-A288 WeakPolarHBondContact OD2-CB 3.46Å; D285-A288 PolarHBondContact OD2-N 2.98Å; D285-V289 PolarHBondContact O-N 3.1Å
286P80.5Confident84.2Confident23 Ų2350.3 Ų50.315%0.14926%0.262CS..Hα-helixtrans-62.7-27.7176.4-24.334.7000114.4F35 G290F35-P286 HydrophobicContact CE1-CB 3.68Å; F35-P286 HydrophobicContact CE1-CG 4Å; F35-P286 HydrophobicContact CZ-CB 3.93Å; P286-G290 PolarHBondContact O-N 3.39Å
287R83.3Confident84.6Confident218 Ų21850.9 Ų50.982%0.82327%0.267SS*.Hα-helixtrans-73.5-45.5-177.9-66.9-178.2178.1-173.51110.8D285 V289 G290 K291D285-R287 VanDerWaalsContact C-N 3.27Å; D285-R287 PolarHBondContact O-N 2.82Å; D285-R287 WeakPolarHBondContact OD1-CB 3.16Å; D285-R287 PolarHBondContact OD1-N 3.28Å; R287-V289 VanDerWaalsContact C-N 3.32Å; R287-V289 PolarHBondContact O-N 3.29Å; R287-G290 PolarHBondContact O-N 3.47Å; R287-K291 PolarHBondContact O-N 3.41Å
288A82.6Confident84.9Confident29 Ų2954.8 Ų54.824%0.2429%0.29CS..Hα-helixtrans-58.7-44.5175.500000111.6D285 K291 K292D285-A288 HydrophobicContact CB-CB 4.14Å; D285-A288 PolarHBondContact OD1-N 3.49Å; D285-A288 WeakPolarHBondContact OD2-CB 3.46Å; D285-A288 PolarHBondContact OD2-N 2.98Å; A288-K291 WeakPolarHBondContact O-CB 3.41Å; A288-K291 PolarHBondContact O-N 2.94Å; A288-K292 WeakPolarHBondContact O-CG 2.89Å; A288-K292 PolarHBondContact O-N 3.39Å
289V81.8Confident85.4Confident29 Ų2954.8 Ų54.818%0.17629%0.29CS..Hα-helixtrans-71-36.4179.21800000112.2M283 D285 R287 K291 K292 L293 L505M283-V289 HydrophobicContact CE-CB 3.14Å; M283-V289 HydrophobicContact CE-CG1 3.25Å; M283-V289 HydrophobicContact CE-CG2 3.45Å; M283-V289 VanDerWaalsContact CE-CG2 3.45Å; D285-V289 PolarHBondContact O-N 3.1Å; R287-V289 VanDerWaalsContact C-N 3.32Å; R287-V289 PolarHBondContact O-N 3.29Å; V289-K291 PolarHBondContact O-N 3.02Å; V289-K292 PolarHBondContact O-N 2.95Å; V289-K292 VanDerWaalsContact O-N 3.16Å; V289-L293 WeakPolarHBondContact O-CB 3.46Å; V289-L293 PolarHBondContact O-N 3.3Å; V289-L505 HydrophobicContact CG1-CD1 4.46Å; V289-L505 HydrophobicContact CG1-CD2 4.29Å
290G83.9Confident86.2Confident43 Ų4353.4 Ų53.444%0.44328%0.284SS..Hα-helixtrans-56.6-39.9170.400000112.4P286 R287 L293 G294P286-G290 PolarHBondContact O-N 3.39Å; R287-G290 PolarHBondContact O-N 3.47Å; G290-L293 PolarHBondContact O-N 2.98Å; G290-G294 PolarHBondContact O-N 2.94Å
291K86.6Confident86.6Confident115 Ų11554.6 Ų54.650%0.529%0.292SS..Hα-helixtrans-64.1-48.4173.5-173.1-178.2177.4-171.80111.6R287 A288 V289 L293 G294 F295R287-K291 PolarHBondContact O-N 3.41Å; A288-K291 WeakPolarHBondContact O-CB 3.41Å; A288-K291 PolarHBondContact O-N 2.94Å; V289-K291 PolarHBondContact O-N 3.02Å; K291-L293 VanDerWaalsContact C-N 3.29Å; K291-L293 PolarHBondContact O-N 3.07Å; K291-G294 PolarHBondContact O-N 3.08Å; K291-F295 HydrophobicContact CD-CE2 4.42Å; K291-F295 HydrophobicContact CG-CD2 4.03Å; K291-F295 HydrophobicContact CG-CE2 3.87Å; K291-F295 WeakPolarHBondContact O-CD2 3.39Å; K291-F295 PolarHBondContact O-N 2.79Å
292K88Confident87.2Confident19 Ų1956 Ų568%0.08330%0.304CS..Hα-helixtrans-55.5-44.5175.7-67.1-174-177.7-164.60111.4G117 A120 A288 V289 F295 Y296 F450 V454G117-K292 WeakPolarHBondContact O-CD 3.28Å; G117-K292 WeakPolarHBondContact O-CE 3.36Å; G117-K292 PolarHBondContact O-NZ 3.12Å; G117-K292 VanDerWaalsContact O-NZ 3.11Å; A120-K292 HydrophobicContact CB-CD 4.24Å; A120-K292 HydrophobicContact CB-CG 3.55Å; A288-K292 WeakPolarHBondContact O-CG 2.89Å; A288-K292 PolarHBondContact O-N 3.39Å; V289-K292 PolarHBondContact O-N 2.95Å; V289-K292 VanDerWaalsContact O-N 3.16Å; K292-F295 PolarHBondContact O-N 2.87Å; K292-Y296 WeakPolarHBondContact O-CB 3.32Å; K292-Y296 PolarHBondContact O-N 3.29Å; K292-F450 HydrophobicContact CB-CE2 4.1Å; K292-F450 HydrophobicContact CB-CZ 4.26Å; K292-V454 HydrophobicContact CD-CG2 4.16Å
293L87.8Confident87.9Confident25 Ų2551.8 Ų51.813%0.13128%0.284CS..Hα-helixtrans-67.4-35179-169.765.3000113.1V289 G290 K291 Y296 S297 F450 L505 V509V289-L293 WeakPolarHBondContact O-CB 3.46Å; V289-L293 PolarHBondContact O-N 3.3Å; G290-L293 PolarHBondContact O-N 2.98Å; K291-L293 VanDerWaalsContact C-N 3.29Å; K291-L293 PolarHBondContact O-N 3.07Å; L293-Y296 HydrophobicContact CD1-CD1 3.96Å; L293-Y296 WeakPolarHBondContact O-CB 3.35Å; L293-Y296 PolarHBondContact O-N 3.28Å; L293-S297 PolarHBondContact O-N 3.34Å; L293-S297 PolarHBondContact O-OG 2.88Å; L293-F450 HydrophobicContact CD1-CE1 4.36Å; L293-L505 WeakPolarHBondContact CD1-O 3.46Å; L293-L505 WeakPolarHBondContact CD2-O 3.43Å; L293-V509 HydrophobicContact CD1-CG1 4.47Å; L293-V509 HydrophobicContact CD1-CG2 3.81Å; L293-V509 HydrophobicContact CD2-CG1 3.76Å; L293-V509 HydrophobicContact CD2-CG2 4.47Å; L293-V509 HydrophobicContact CG-CG1 3.87Å; L293-V509 HydrophobicContact CG-CG2 4.13Å
294G89.1Confident88.8Confident36 Ų3650.3 Ų50.337%0.37128%0.277SS..Hα-helixtrans-62.1-49.717200000112G290 K291 Y296 S297 V298G290-G294 PolarHBondContact O-N 2.94Å; K291-G294 PolarHBondContact O-N 3.08Å; G294-Y296 VanDerWaalsContact C-N 3.33Å; G294-Y296 PolarHBondContact O-N 2.96Å; G294-S297 WeakPolarHBondContact O-CB 3.27Å; G294-S297 PolarHBondContact O-N 2.83Å; G294-V298 WeakPolarHBondContact O-CG2 3.15Å; G294-V298 PolarHBondContact O-N 2.48Å; G294-V298 VanDerWaalsContact O-N 3.07Å
295F91.1Very high89.7Confident83 Ų8345.6 Ų45.636%0.36425%0.254SS..Hα-helixtrans-60.9-41.5175.1-83.6-77.6000112I114 P116 A119 K291 K292 S297 V298 T299I114-F295 HydrophobicContact CG2-CD1 4.39Å; P116-F295 HydrophobicContact CB-CB 3.77Å; A119-F295 HydrophobicContact CB-CD2 4.27Å; A119-F295 HydrophobicContact CB-CG 4.39Å; K291-F295 HydrophobicContact CD-CE2 4.42Å; K291-F295 HydrophobicContact CG-CD2 4.03Å; K291-F295 HydrophobicContact CG-CE2 3.87Å; K291-F295 WeakPolarHBondContact O-CD2 3.39Å; K291-F295 PolarHBondContact O-N 2.79Å; K292-F295 PolarHBondContact O-N 2.87Å; F295-S297 VanDerWaalsContact C-N 3.33Å; F295-S297 PolarHBondContact O-N 3.04Å; F295-V298 PolarHBondContact O-N 3.19Å; F295-T299 PolarHBondContact O-N 3.32Å; F295-T299 PolarHBondContact O-OG1 3.38Å
296Y93.3Very high90.4Very high0 Ų044.8 Ų44.80%025%0.249CC..Hα-helixtrans-55.1-47.4173162.7-99000112.2K292 L293 G294 V298 T299 V300 Y443 V446 A447 F450 I506 V509 L513K292-Y296 WeakPolarHBondContact O-CB 3.32Å; K292-Y296 PolarHBondContact O-N 3.29Å; L293-Y296 HydrophobicContact CD1-CD1 3.96Å; L293-Y296 WeakPolarHBondContact O-CB 3.35Å; L293-Y296 PolarHBondContact O-N 3.28Å; G294-Y296 VanDerWaalsContact C-N 3.33Å; G294-Y296 PolarHBondContact O-N 2.96Å; Y296-V298 VanDerWaalsContact C-N 3.31Å; Y296-V298 PolarHBondContact O-N 3.01Å; Y296-T299 WeakPolarHBondContact O-CB 3.29Å; Y296-T299 PolarHBondContact O-N 2.69Å; Y296-V300 HydrophobicContact CD2-CG2 4.19Å; Y296-V300 HydrophobicContact CE1-CG2 4.25Å; Y296-V300 HydrophobicContact CE2-CG2 3.62Å; Y296-V300 WeakPolarHBondContact O-CG2 3.35Å; Y296-V300 PolarHBondContact O-N 3.3Å; Y296-Y443 VanDerWaalsContact OH-CD2 3.32Å; Y296-Y443 WeakPolarHBondContact OH-CD2 3.49Å; Y296-Y443 WeakPolarHBondContact OH-CE2 3.4Å; Y296-V446 HydrophobicContact CD2-CG1 4.11Å; Y296-V446 HydrophobicContact CE2-CG1 3.92Å; Y296-A447 HydrophobicContact CE2-CB 4.01Å; Y296-F450 HydrophobicContact CD2-CB 3.7Å; Y296-F450 AromaticContact CD2-CD1 3.57Å; Y296-F450 HydrophobicContact CD2-CD1 3.57Å; Y296-F450 HydrophobicContact CD2-CD2 4.19Å; Y296-F450 HydrophobicContact CD2-CE1 4.21Å; Y296-F450 AromaticContact CD2-CG 3.54Å; Y296-F450 HydrophobicContact CD2-CG 3.54Å; Y296-F450 HydrophobicContact CE2-CB 4.22Å; Y296-F450 HydrophobicContact CE2-CD1 4.13Å; Y296-F450 HydrophobicContact CE2-CG 4.33Å; Y296-F450 AromaticContact CG-CD1 3.81Å; Y296-F450 HydrophobicContact CG-CD1 3.81Å; Y296-F450 HydrophobicContact CG-CD2 4.35Å; Y296-F450 AromaticContact CG-CE1 3.97Å; Y296-F450 HydrophobicContact CG-CE1 3.97Å; Y296-F450 HydrophobicContact CG-CE2 4.47Å; Y296-F450 HydrophobicContact CG-CG 4Å; Y296-F450 HydrophobicContact CG-CZ 4.28Å; Y296-I506 HydrophobicContact CE1-CG1 4.37Å; Y296-I506 HydrophobicContact CE1-CG2 3.76Å; Y296-I506 HydrophobicContact CE2-CD1 4.48Å; Y296-I506 WeakPolarHBondContact OH-CG2 3.49Å; Y296-V509 HydrophobicContact CD1-CG2 4.2Å; Y296-V509 HydrophobicContact CE1-CG2 4Å; Y296-L513 HydrophobicContact CD1-CD1 4.48Å; Y296-L513 HydrophobicContact CE1-CD1 3.67Å
297S92.3Very high91.1Very high23 Ų2343.7 Ų43.716%0.16124%0.242CC..Hα-helixtrans-61.9-40.5179.7-58.70000111.7L293 G294 F295 V301L293-S297 PolarHBondContact O-N 3.34Å; L293-S297 PolarHBondContact O-OG 2.88Å; G294-S297 WeakPolarHBondContact O-CB 3.27Å; G294-S297 PolarHBondContact O-N 2.83Å; F295-S297 VanDerWaalsContact C-N 3.33Å; F295-S297 PolarHBondContact O-N 3.04Å; S297-V301 WeakPolarHBondContact O-CG2 3.49Å; S297-V301 PolarHBondContact O-N 3.01Å
298V93.8Very high91.7Very high81 Ų8133.3 Ų33.349%0.49120%0.202SC..Hα-helixtrans-62.9-47.6174.5173.30000110.8G294 F295 Y296 V300 V301 C302G294-V298 WeakPolarHBondContact O-CG2 3.15Å; G294-V298 PolarHBondContact O-N 2.48Å; G294-V298 VanDerWaalsContact O-N 3.07Å; F295-V298 PolarHBondContact O-N 3.19Å; Y296-V298 VanDerWaalsContact C-N 3.31Å; Y296-V298 PolarHBondContact O-N 3.01Å; V298-V300 VanDerWaalsContact C-N 3.34Å; V298-V300 PolarHBondContact O-N 3.03Å; V298-V301 PolarHBondContact O-N 3.43Å; V298-C302 VanDerWaalsContact O-CB 3.27Å; V298-C302 WeakPolarHBondContact O-CB 3.45Å; V298-C302 PolarHBondContact O-N 3.26Å; V298-C302 PolarHBondContact O-SG 2.88Å
299T95.3Very high92.1Very high0 Ų036.3 Ų36.30%021%0.214CC..Hα-helixtrans-55.4-47.3177.6-58.80000111.9M110 V111 I114 F295 Y296 G303 V446M110-T299 HydrophobicContact CB-CG2 4.24Å; M110-T299 HydrophobicContact CG-CG2 3.77Å; V111-T299 HydrophobicContact CB-CG2 4.03Å; V111-T299 HydrophobicContact CG2-CG2 4.45Å; I114-T299 HydrophobicContact CD1-CG2 4.18Å; I114-T299 WeakPolarHBondContact CG2-OG1 3.09Å; F295-T299 PolarHBondContact O-N 3.32Å; F295-T299 PolarHBondContact O-OG1 3.38Å; Y296-T299 WeakPolarHBondContact O-CB 3.29Å; Y296-T299 PolarHBondContact O-N 2.69Å; T299-G303 PolarHBondContact O-N 3.12Å; T299-V446 HydrophobicContact CG2-CG1 3.78Å
300V95.2Very high92.8Very high0 Ų040.5 Ų40.50%023%0.23CC..Hα-helixtrans-62.7-50.1178.3173.90000110.9Y296 V298 C302 G303 L304 Y443 V446 L513Y296-V300 HydrophobicContact CD2-CG2 4.19Å; Y296-V300 HydrophobicContact CE1-CG2 4.25Å; Y296-V300 HydrophobicContact CE2-CG2 3.62Å; Y296-V300 WeakPolarHBondContact O-CG2 3.35Å; Y296-V300 PolarHBondContact O-N 3.3Å; V298-V300 VanDerWaalsContact C-N 3.34Å; V298-V300 PolarHBondContact O-N 3.03Å; V300-C302 PolarHBondContact O-N 2.92Å; V300-G303 PolarHBondContact O-N 3.33Å; V300-L304 HydrophobicContact CG1-CD1 3.9Å; V300-L304 HydrophobicContact CG1-CG 4.31Å; V300-L304 VanDerWaalsContact O-CG 3.31Å; V300-L304 WeakPolarHBondContact O-CG 3.49Å; V300-L304 PolarHBondContact O-N 3.34Å; V300-Y443 HydrophobicContact CG1-CD2 4.12Å; V300-Y443 HydrophobicContact CG2-CD2 4.34Å; V300-V446 HydrophobicContact CG2-CB 4.15Å; V300-V446 HydrophobicContact CG2-CG1 3.6Å; V300-L513 HydrophobicContact CB-CD1 4.34Å; V300-L513 HydrophobicContact CB-CD2 4.21Å; V300-L513 HydrophobicContact CG1-CD1 4.28Å; V300-L513 HydrophobicContact CG1-CD2 4.1Å; V300-L513 HydrophobicContact CG2-CD1 4.38Å
301V94.8Very high93.4Very high41 Ų4140.8 Ų40.825%0.24822%0.221CC..Hα-helixtrans-62.7-43.5-179172.90000111S297 V298 G303 L304 V305 L513 F516S297-V301 WeakPolarHBondContact O-CG2 3.49Å; S297-V301 PolarHBondContact O-N 3.01Å; V298-V301 PolarHBondContact O-N 3.43Å; V301-G303 VanDerWaalsContact C-N 3.35Å; V301-G303 PolarHBondContact O-N 3.38Å; V301-L304 PolarHBondContact O-N 2.97Å; V301-V305 HydrophobicContact CG1-CG2 4.33Å; V301-V305 WeakPolarHBondContact O-CB 3.02Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.25Å; V301-V305 PolarHBondContact O-N 3.26Å; V301-L513 HydrophobicContact CG2-CD2 3.67Å; V301-F516 HydrophobicContact CG2-CD2 4.2Å; V301-F516 HydrophobicContact CG2-CE2 4.35Å
302C95.9Very high93.8Very high53 Ų5335.3 Ų35.336%0.35820%0.197SC..Hα-helixtrans-60.2-43.8175.1-73.90000111.7M110 V298 V300 V305 L306M110-C302 HydrophobicContact CE-CB 3.99Å; M110-C302 HydrophobicContact SD-CB 4.19Å; V298-C302 VanDerWaalsContact O-CB 3.27Å; V298-C302 WeakPolarHBondContact O-CB 3.45Å; V298-C302 PolarHBondContact O-N 3.26Å; V298-C302 PolarHBondContact O-SG 2.88Å; V300-C302 PolarHBondContact O-N 2.92Å; C302-V305 PolarHBondContact O-N 3Å; C302-L306 VanDerWaalsContact O-CB 3.31Å; C302-L306 WeakPolarHBondContact O-CB 3.3Å; C302-L306 PolarHBondContact O-N 2.87Å
303G96.8Very high94.2Very high0 Ų034.8 Ų34.80%020%0.196CC..Hα-helixtrans-62.1-45.8176.100000112.5T299 V300 V301 V305 L306 H307 L442T299-G303 PolarHBondContact O-N 3.12Å; V300-G303 PolarHBondContact O-N 3.33Å; V301-G303 VanDerWaalsContact C-N 3.35Å; V301-G303 PolarHBondContact O-N 3.38Å; G303-V305 PolarHBondContact O-N 3.39Å; G303-L306 PolarHBondContact O-N 2.6Å; G303-H307 WeakPolarHBondContact O-CB 3.39Å; G303-H307 PolarHBondContact O-N 3.08Å; G303-L442 WeakPolarHBondContact O-CD1 3.27Å
304L94.8Very high94.5Very high2 Ų237.8 Ų37.81%0.0121%0.212CC..Hα-helixtrans-63.2-40176.7-69.5174.6000112.4V300 V301 G308 G439 L442 F516 R517 I520V300-L304 HydrophobicContact CG1-CD1 3.9Å; V300-L304 HydrophobicContact CG1-CG 4.31Å; V300-L304 VanDerWaalsContact O-CG 3.31Å; V300-L304 WeakPolarHBondContact O-CG 3.49Å; V300-L304 PolarHBondContact O-N 3.34Å; V301-L304 PolarHBondContact O-N 2.97Å; L304-G308 WeakPolarHBondContact O-CA 3.22Å; L304-G308 PolarHBondContact O-N 3.1Å; L304-G439 VanDerWaalsContact CD2-CA 3.47Å; L304-L442 HydrophobicContact CD2-CD1 4.48Å; L304-L442 HydrophobicContact CD2-CD2 4.1Å; L304-L442 HydrophobicContact CG-CD2 4.18Å; L304-F516 HydrophobicContact CD1-CB 3.62Å; L304-R517 HydrophobicContact CD1-CG 3.93Å; L304-R517 HydrophobicContact CD2-CG 4.46Å; L304-I520 HydrophobicContact CB-CG1 4.08Å; L304-I520 HydrophobicContact CD2-CB 4.49Å; L304-I520 HydrophobicContact CD2-CG1 4.14Å
305V95.1Very high94.8Very high58 Ų5838 Ų3835%0.35220%0.204SC..Hα-helixtrans-65.7-45175.3165.70000110.7V301 C302 G303 L309 F310V301-V305 HydrophobicContact CG1-CG2 4.33Å; V301-V305 WeakPolarHBondContact O-CB 3.02Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.25Å; V301-V305 PolarHBondContact O-N 3.26Å; C302-V305 PolarHBondContact O-N 3Å; G303-V305 PolarHBondContact O-N 3.39Å; V305-L309 HydrophobicContact CG1-CD1 4.16Å; V305-L309 WeakPolarHBondContact O-CB 3.33Å; V305-L309 PolarHBondContact O-N 3.48Å; V305-F310 HydrophobicContact CG1-CE2 4.25Å
306L96.5Very high95Very high62 Ų6234.7 Ų34.733%0.32519%0.189SC..Hα-helixtrans-61.2-49178.4-176.761.8000111.1V106 M110 C302 G303 F310 I311V106-L306 HydrophobicContact CG1-CB 4.42Å; V106-L306 HydrophobicContact CG1-CD2 3.88Å; V106-L306 HydrophobicContact CG1-CG 4.27Å; M110-L306 HydrophobicContact CE-CB 4.24Å; M110-L306 HydrophobicContact CE-CD2 3.7Å; C302-L306 VanDerWaalsContact O-CB 3.31Å; C302-L306 WeakPolarHBondContact O-CB 3.3Å; C302-L306 PolarHBondContact O-N 2.87Å; G303-L306 PolarHBondContact O-N 2.6Å; L306-F310 HydrophobicContact CD1-CB 4.31Å; L306-F310 HydrophobicContact CD1-CD2 4.2Å; L306-F310 HydrophobicContact CD1-CG 4.35Å; L306-F310 VanDerWaalsContact O-CB 3.3Å; L306-F310 WeakPolarHBondContact O-CB 3.45Å; L306-F310 PolarHBondContact O-N 3.08Å; L306-I311 HydrophobicContact CG-CD1 4.48Å; L306-I311 PolarHBondContact O-N 3.38Å; L306-I311 VanDerWaalsContact O-N 3.14Å
307H96.4Very high95.2Very high0 Ų039 Ų390%021%0.208CC..Iπ-helixtrans-64.3-51.1177.6-174.565.4000112T99 G303 I311 L312 D438 L442T99-H307 PolarHBondContact O-CE1 3.45Å; G303-H307 WeakPolarHBondContact O-CB 3.39Å; G303-H307 PolarHBondContact O-N 3.08Å; H307-I311 PolarHBondContact O-N 3.05Å; H307-L312 PolarHBondContact O-N 3.44Å; H307-D438 IonicContact CD2-OD2 2.8Å; H307-D438 IonicContact CE1-OD2 3.44Å; H307-D438 IonicContact NE2-OD2 3.03Å; H307-D438 PolarHBondContact NE2-OD2 3.45Å; H307-L442 HydrophobicContact CB-CD1 4.07Å
308G93.9Very high95.4Very high0 Ų043.9 Ų43.90%023%0.226CC..Iπ-helixtrans-71-43.1-172.900000115.4L304 P313 L523L304-G308 WeakPolarHBondContact O-CA 3.22Å; L304-G308 PolarHBondContact O-N 3.1Å; G308-P313 VanDerWaalsContact O-CD 3.23Å; G308-P313 WeakPolarHBondContact O-CD 3.42Å; G308-L523 VanDerWaalsContact O-CD2 3.23Å; G308-L523 WeakPolarHBondContact O-CD2 3.41Å
309L92.8Very high95.4Very high93 Ų9342.8 Ų42.849%0.48722%0.217SC..Iπ-helixtrans-98.7-14.8-173.5-59.7-172.4000113.8V305 P313V305-L309 HydrophobicContact CG1-CD1 4.16Å; V305-L309 WeakPolarHBondContact O-CB 3.33Å; V305-L309 PolarHBondContact O-N 3.48Å; L309-P313 WeakPolarHBondContact O-CG 3.27Å
310F95.4Very high95.3Very high116 Ų11643 Ų4351%0.50922%0.218SC..Iπ-helixtrans-117.4-58.5179.5-57.4-96.5000111.6V305 L306 P313 L314V305-F310 HydrophobicContact CG1-CE2 4.25Å; L306-F310 HydrophobicContact CD1-CB 4.31Å; L306-F310 HydrophobicContact CD1-CD2 4.2Å; L306-F310 HydrophobicContact CD1-CG 4.35Å; L306-F310 VanDerWaalsContact O-CB 3.3Å; L306-F310 WeakPolarHBondContact O-CB 3.45Å; L306-F310 PolarHBondContact O-N 3.08Å; F310-P313 WeakPolarHBondContact O-CD 3.44Å; F310-L314 WeakPolarHBondContact O-CB 3.42Å; F310-L314 WeakPolarHBondContact O-CD1 3.02Å; F310-L314 WeakPolarHBondContact O-CG 3.1Å; F310-L314 PolarHBondContact O-N 3.31Å
311I96.3Very high95.3Very high49 Ų4949.9 Ų49.925%0.25125%0.249SC..Iπ-helixtrans-68.3-51.2-171.4-62.1174.2000112.1V106 L306 H307 L314 L315V106-I311 HydrophobicContact CB-CD1 4.39Å; V106-I311 HydrophobicContact CG1-CD1 4.39Å; V106-I311 HydrophobicContact CG2-CD1 3.2Å; L306-I311 HydrophobicContact CG-CD1 4.48Å; L306-I311 PolarHBondContact O-N 3.38Å; L306-I311 VanDerWaalsContact O-N 3.14Å; H307-I311 PolarHBondContact O-N 3.05Å; I311-L314 PolarHBondContact O-N 3.25Å; I311-L315 WeakPolarHBondContact O-CB 3.31Å; I311-L315 PolarHBondContact O-N 3.02Å
312L95.4Very high95.1Very high1 Ų153.5 Ų53.51%0.00526%0.261CS..Hα-helixtrans-62.4-44.4179.1-63.4176.8000112.5T99 H307 L315 Y316 L527T99-L312 HydrophobicContact CG2-CD2 3.89Å; H307-L312 PolarHBondContact O-N 3.44Å; L312-L315 PolarHBondContact O-N 3.45Å; L312-Y316 PolarHBondContact O-N 3.14Å; L312-L527 HydrophobicContact CB-CD1 3.64Å
313P95.6Very high95Very high7 Ų755.4 Ų55.45%0.04527%0.267CS..Hα-helixtrans-64.6-38.3174.8-28.741.1000113.6G308 L309 F310 Y316 F317 P324 I328G308-P313 VanDerWaalsContact O-CD 3.23Å; G308-P313 WeakPolarHBondContact O-CD 3.42Å; L309-P313 WeakPolarHBondContact O-CG 3.27Å; F310-P313 WeakPolarHBondContact O-CD 3.44Å; P313-Y316 WeakPolarHBondContact O-CB 3.47Å; P313-Y316 PolarHBondContact O-N 3.44Å; P313-F317 WeakPolarHBondContact O-CB 3.35Å; P313-F317 PolarHBondContact O-N 2.62Å; P313-P324 HydrophobicContact CB-CB 3.79Å; P313-P324 HydrophobicContact CB-CG 3.8Å; P313-P324 WeakPolarHBondContact O-CG 3.44Å; P313-I328 HydrophobicContact CB-CD1 4.39Å; P313-I328 HydrophobicContact CG-CD1 3.85Å
314L95.6Very high94.9Very high89 Ų8956 Ų5647%0.46627%0.271SS..Hα-helixtrans-62.5-45.5174.5-77.1168.8000110.8F310 I311 Y316 F317 F318F310-L314 WeakPolarHBondContact O-CB 3.42Å; F310-L314 WeakPolarHBondContact O-CD1 3.02Å; F310-L314 WeakPolarHBondContact O-CG 3.1Å; F310-L314 PolarHBondContact O-N 3.31Å; I311-L314 PolarHBondContact O-N 3.25Å; L314-Y316 VanDerWaalsContact C-N 3.33Å; L314-Y316 PolarHBondContact O-N 3.14Å; L314-F317 PolarHBondContact O-N 3.06Å; L314-F317 VanDerWaalsContact O-N 3.16Å; L314-F318 HydrophobicContact CB-CD2 4.4Å; L314-F318 HydrophobicContact CB-CE2 4.33Å; L314-F318 HydrophobicContact CD2-CE2 4.26Å; L314-F318 WeakPolarHBondContact O-CD2 3.25Å; L314-F318 PolarHBondContact O-N 2.87Å
315L94.8Very high94.8Very high40 Ų4061.1 Ų61.121%0.20930%0.297CS..Hα-helixtrans-59.3-45.2176.5-173.962.8000111.2Y95 T99 I311 L312 F317 F318 I319Y95-L315 HydrophobicContact CD2-CD2 4.36Å; Y95-L315 HydrophobicContact CE2-CD2 3.49Å; Y95-L315 VanDerWaalsContact CE2-CD2 3.49Å; Y95-L315 HydrophobicContact CE2-CG 4.18Å; T99-L315 HydrophobicContact CG2-CD2 3.67Å; I311-L315 WeakPolarHBondContact O-CB 3.31Å; I311-L315 PolarHBondContact O-N 3.02Å; L312-L315 PolarHBondContact O-N 3.45Å; L315-F317 PolarHBondContact O-N 3.24Å; L315-F318 PolarHBondContact O-N 3.47Å; L315-I319 HydrophobicContact CD1-CD1 3.82Å; L315-I319 HydrophobicContact CD1-CG1 4.43Å; L315-I319 HydrophobicContact CG-CD1 3.94Å; L315-I319 WeakPolarHBondContact O-CG1 3.26Å; L315-I319 PolarHBondContact O-N 3.24Å; L315-I319 VanDerWaalsContact O-N 3.13Å
316Y95.9Very high94.6Very high13 Ų1363.1 Ų63.15%0.05131%0.31CS..Hα-helixtrans-57.5-46.9173.5-178.7-83000111.9L312 P313 L314 T320 K322 P324 F327 L527 I531L312-Y316 PolarHBondContact O-N 3.14Å; P313-Y316 WeakPolarHBondContact O-CB 3.47Å; P313-Y316 PolarHBondContact O-N 3.44Å; L314-Y316 VanDerWaalsContact C-N 3.33Å; L314-Y316 PolarHBondContact O-N 3.14Å; Y316-T320 HydrophobicContact CD1-CG2 4.42Å; Y316-T320 WeakPolarHBondContact CD1-OG1 3.23Å; Y316-T320 HydrophobicContact CD2-CG2 4.17Å; Y316-T320 HydrophobicContact CE1-CG2 4.23Å; Y316-T320 WeakPolarHBondContact CE1-OG1 3.38Å; Y316-T320 HydrophobicContact CE2-CG2 3.95Å; Y316-T320 HydrophobicContact CG-CG2 4.38Å; Y316-T320 WeakPolarHBondContact O-CB 3.23Å; Y316-T320 WeakPolarHBondContact O-CG2 3.15Å; Y316-T320 PolarHBondContact O-N 3.46Å; Y316-T320 PolarHBondContact O-OG1 3Å; Y316-K322 HydrophobicContact CE1-CB 4.14Å; Y316-P324 HydrophobicContact CD1-CB 3.69Å; Y316-P324 HydrophobicContact CE1-CB 4.41Å; Y316-P324 HydrophobicContact CG-CB 4.25Å; Y316-F327 HydrophobicContact CE1-CB 4.46Å; Y316-F327 HydrophobicContact CE2-CD1 4.48Å; Y316-F327 HydrophobicContact CE2-CD2 4.23Å; Y316-F327 HydrophobicContact CE2-CE2 4.47Å; Y316-F327 HydrophobicContact CE2-CG 4.22Å; Y316-F327 WeakPolarHBondContact OH-CD2 3.34Å; Y316-L527 HydrophobicContact CD2-CB 4.47Å; Y316-L527 HydrophobicContact CD2-CD2 3.7Å; Y316-L527 HydrophobicContact CE2-CD2 4.32Å; Y316-L527 HydrophobicContact CG-CD2 4.03Å; Y316-I531 HydrophobicContact CD2-CD1 4.19Å; Y316-I531 HydrophobicContact CD2-CG1 3.68Å; Y316-I531 HydrophobicContact CE2-CG1 4.3Å; Y316-I531 HydrophobicContact CG-CG1 4.41Å
317F96.6Very high94.5Very high92 Ų9260.8 Ų60.840%0.40430%0.297SS..Hα-helixtrans-62.7-45.8178.9176.1-102000111.9P313 L314 L315 I319 K321 K322 P324P313-F317 WeakPolarHBondContact O-CB 3.35Å; P313-F317 PolarHBondContact O-N 2.62Å; L314-F317 PolarHBondContact O-N 3.06Å; L314-F317 VanDerWaalsContact O-N 3.16Å; L315-F317 PolarHBondContact O-N 3.24Å; F317-I319 VanDerWaalsContact C-N 3.32Å; F317-I319 PolarHBondContact O-N 3.37Å; F317-K321 WeakPolarHBondContact O-CA 3.16Å; F317-K321 PolarHBondContact O-N 3.33Å; F317-K322 WeakPolarHBondContact CD2-O 3.48Å; F317-P324 HydrophobicContact CB-CG 4.41Å
318F95.9Very high94.2Very high124 Ų12461.9 Ų61.954%0.54430%0.302SS..Hα-helixtrans-64.6-37.2-177.6-80.2-63.3000112.8L314 L315 K321L314-F318 HydrophobicContact CB-CD2 4.4Å; L314-F318 HydrophobicContact CB-CE2 4.33Å; L314-F318 HydrophobicContact CD2-CE2 4.26Å; L314-F318 WeakPolarHBondContact O-CD2 3.25Å; L314-F318 PolarHBondContact O-N 2.87Å; L315-F318 PolarHBondContact O-N 3.47Å; F318-K321 WeakPolarHBondContact O-CE 3.29Å; F318-K321 PolarHBondContact O-NZ 3.07Å
319I94.8Very high94.1Very high58 Ų5871.8 Ų71.830%0.29734%0.34SS..Hα-helixtrans-81-50.1-179.1-63170.9000111.6L315 F317 I531 I535L315-I319 HydrophobicContact CD1-CD1 3.82Å; L315-I319 HydrophobicContact CD1-CG1 4.43Å; L315-I319 HydrophobicContact CG-CD1 3.94Å; L315-I319 WeakPolarHBondContact O-CG1 3.26Å; L315-I319 PolarHBondContact O-N 3.24Å; L315-I319 VanDerWaalsContact O-N 3.13Å; F317-I319 VanDerWaalsContact C-N 3.32Å; F317-I319 PolarHBondContact O-N 3.37Å; I319-I531 HydrophobicContact CD1-CD1 4.35Å; I319-I531 HydrophobicContact CD1-CG2 4.17Å; I319-I531 HydrophobicContact CG2-CG2 3.88Å; I319-I535 HydrophobicContact CG2-CD1 3.89Å; I319-I535 HydrophobicContact CG2-CG1 4.06Å
320T93.8Very high93.7Very high4 Ų467.8 Ų67.83%0.02532%0.321CS..Hα-helixtrans-87.4-16.6-172.969.10000113.7Y316 K322 I531 H534Y316-T320 HydrophobicContact CD1-CG2 4.42Å; Y316-T320 WeakPolarHBondContact CD1-OG1 3.23Å; Y316-T320 HydrophobicContact CD2-CG2 4.17Å; Y316-T320 HydrophobicContact CE1-CG2 4.23Å; Y316-T320 WeakPolarHBondContact CE1-OG1 3.38Å; Y316-T320 HydrophobicContact CE2-CG2 3.95Å; Y316-T320 HydrophobicContact CG-CG2 4.38Å; Y316-T320 WeakPolarHBondContact O-CB 3.23Å; Y316-T320 WeakPolarHBondContact O-CG2 3.15Å; Y316-T320 PolarHBondContact O-N 3.46Å; Y316-T320 PolarHBondContact O-OG1 3Å; T320-K322 PolarHBondContact O-N 3.18Å; T320-K322 VanDerWaalsContact O-N 3.13Å; T320-K322 PolarHBondContact OG1-N 3.24Å; T320-I531 HydrophobicContact CG2-CG1 4.05Å; T320-H534 HydrophobicContact CG2-CB 3.84Å; T320-H534 PolarHBondContact O-CE1 2.91Å
321K94.1Very high93.3Very high146 Ų14662.3 Ų62.364%0.63530%0.297SS*.  trans53.723.4-169.4-53.8-59.3-174.2-166.90113.4F317 F318F317-K321 WeakPolarHBondContact O-CA 3.16Å; F317-K321 PolarHBondContact O-N 3.33Å; F318-K321 WeakPolarHBondContact O-CE 3.29Å; F318-K321 PolarHBondContact O-NZ 3.07Å
322K91.7Very high92.7Very high117 Ų11764 Ų6451%0.50931%0.306SS..SBendtrans-111.8154.1177.7-67-178.7-178.8-174.80110.8Y316 F317 T320 P324Y316-K322 HydrophobicContact CE1-CB 4.14Å; F317-K322 WeakPolarHBondContact CD2-O 3.48Å; T320-K322 PolarHBondContact O-N 3.18Å; T320-K322 VanDerWaalsContact O-N 3.13Å; T320-K322 PolarHBondContact OG1-N 3.24Å; K322-P324 VanDerWaalsContact O-CD 3.3Å; K322-P324 WeakPolarHBondContact O-CD 3.5Å
323N93.4Very high91.7Very high92 Ų9269.5 Ų69.549%0.49233%0.332SS..  trans-67.7115.8178.5-173.2-20.5000111I325 V326N323-I325 VanDerWaalsContact C-N 3.31Å; N323-I325 PolarHBondContact O-N 3.01Å; N323-I325 WeakPolarHBondContact OD1-CB 3.34Å; N323-I325 PolarHBondContact OD1-N 3.33Å; N323-V326 HydrophobicContact CB-CG2 4.21Å
324P93.9Very high90.7Very high12 Ų1269.2 Ų69.28%0.07833%0.33CS..Hα-helixtrans-69.4-26.9-178.228.5-35.9000113P313 Y316 F317 K322 V326 F327 I328P313-P324 HydrophobicContact CB-CB 3.79Å; P313-P324 HydrophobicContact CB-CG 3.8Å; P313-P324 WeakPolarHBondContact O-CG 3.44Å; Y316-P324 HydrophobicContact CD1-CB 3.69Å; Y316-P324 HydrophobicContact CE1-CB 4.41Å; Y316-P324 HydrophobicContact CG-CB 4.25Å; F317-P324 HydrophobicContact CB-CG 4.41Å; K322-P324 VanDerWaalsContact O-CD 3.3Å; K322-P324 WeakPolarHBondContact O-CD 3.5Å; P324-V326 VanDerWaalsContact C-N 3.3Å; P324-V326 PolarHBondContact O-N 3.36Å; P324-F327 WeakPolarHBondContact O-CB 3.34Å; P324-F327 PolarHBondContact O-N 3.05Å; P324-F327 VanDerWaalsContact O-N 3.15Å; P324-I328 WeakPolarHBondContact O-CG1 3.47Å; P324-I328 PolarHBondContact O-N 2.94Å
325I92.4Very high90Very high110 Ų11065.6 Ų65.656%0.56431%0.311SS*.Hα-helixtrans-66-36.6-176.6-55.4-58000111.1N323 F327 I328 R329N323-I325 VanDerWaalsContact C-N 3.31Å; N323-I325 PolarHBondContact O-N 3.01Å; N323-I325 WeakPolarHBondContact OD1-CB 3.34Å; N323-I325 PolarHBondContact OD1-N 3.33Å; I325-F327 VanDerWaalsContact C-N 3.32Å; I325-I328 PolarHBondContact O-N 3.46Å; I325-R329 WeakPolarHBondContact O-CB 3.35Å; I325-R329 PolarHBondContact O-N 2.96Å
326V91.6Very high89Confident100 Ų10068.6 Ų68.661%0.60633%0.327SS*.Hα-helixtrans-63.6-42.3175.3-179.30000110.3N323 P324 R329 G330N323-V326 HydrophobicContact CB-CG2 4.21Å; P324-V326 VanDerWaalsContact C-N 3.3Å; P324-V326 PolarHBondContact O-N 3.36Å; V326-R329 WeakPolarHBondContact O-CB 3.43Å; V326-R329 PolarHBondContact O-N 3.2Å; V326-G330 PolarHBondContact O-N 3.47Å
327F93.2Very high87.8Confident13 Ų1369.5 Ų69.56%0.05733%0.332CS..Hα-helixtrans-64.9-44.6177.1-172.7-86.8000112.1Y316 P324 I325 R329 G330 I331 L414 N418 I420 A526 L527Y316-F327 HydrophobicContact CE1-CB 4.46Å; Y316-F327 HydrophobicContact CE2-CD1 4.48Å; Y316-F327 HydrophobicContact CE2-CD2 4.23Å; Y316-F327 HydrophobicContact CE2-CE2 4.47Å; Y316-F327 HydrophobicContact CE2-CG 4.22Å; Y316-F327 WeakPolarHBondContact OH-CD2 3.34Å; P324-F327 WeakPolarHBondContact O-CB 3.34Å; P324-F327 PolarHBondContact O-N 3.05Å; P324-F327 VanDerWaalsContact O-N 3.15Å; I325-F327 VanDerWaalsContact C-N 3.32Å; F327-R329 VanDerWaalsContact C-N 3.3Å; F327-R329 PolarHBondContact O-N 2.9Å; F327-G330 PolarHBondContact O-N 3.26Å; F327-G330 VanDerWaalsContact O-N 3.13Å; F327-I331 HydrophobicContact CD1-CD1 4.4Å; F327-I331 HydrophobicContact CE1-CD1 4.23Å; F327-I331 PolarHBondContact O-N 3.18Å; F327-L414 HydrophobicContact CE1-CD2 4.09Å; F327-L414 HydrophobicContact CE2-CD2 4.23Å; F327-L414 HydrophobicContact CZ-CD2 3.45Å; F327-L414 VanDerWaalsContact CZ-CD2 3.45Å; F327-N418 HydrophobicContact CD2-CB 4.06Å; F327-N418 VanDerWaalsContact CD2-ND2 3.31Å; F327-N418 WeakPolarHBondContact CD2-ND2 3.1Å; F327-N418 HydrophobicContact CE2-CB 3.79Å; F327-N418 VanDerWaalsContact CE2-ND2 3.29Å; F327-N418 WeakPolarHBondContact CE2-ND2 3.36Å; F327-N418 WeakPolarHBondContact CG-ND2 3.44Å; F327-N418 HydrophobicContact CZ-CB 4.47Å; F327-N418 WeakPolarHBondContact CZ-ND2 3.44Å; F327-N418 PolarHBondContact O-ND2 3.45Å; F327-N418 PolarHBondContact O-OD1 3.18Å; F327-I420 HydrophobicContact CE2-CD1 4.12Å; F327-I420 HydrophobicContact CE2-CG1 4.24Å; F327-A526 HydrophobicContact CE1-CB 4.46Å; F327-A526 WeakPolarHBondContact CE1-O 3.04Å; F327-A526 WeakPolarHBondContact CZ-O 3.31Å; F327-L527 HydrophobicContact CD1-CD2 3.67Å; F327-L527 HydrophobicContact CE1-CD2 3.99Å
328I92.2Very high86.6Confident23 Ų2365.1 Ų65.112%0.11831%0.313CS..Hα-helixtrans-63.2-37.6178.5-67.6168.9000111P313 P324 I325 G330 I331 L332 L335 L523 L527P313-I328 HydrophobicContact CB-CD1 4.39Å; P313-I328 HydrophobicContact CG-CD1 3.85Å; P324-I328 WeakPolarHBondContact O-CG1 3.47Å; P324-I328 PolarHBondContact O-N 2.94Å; I325-I328 PolarHBondContact O-N 3.46Å; I328-G330 PolarHBondContact O-N 2.88Å; I328-I331 CarbonylContact O-C 3.38Å; I328-I331 VanDerWaalsContact O-CG1 3.28Å; I328-I331 WeakPolarHBondContact O-CG1 3.49Å; I328-I331 PolarHBondContact O-N 3.37Å; I328-I331 VanDerWaalsContact O-N 3.1Å; I328-L332 PolarHBondContact O-N 2.97Å; I328-L335 HydrophobicContact CG2-CD1 4.07Å; I328-L523 HydrophobicContact CD1-CD1 4.41Å; I328-L523 HydrophobicContact CG1-CD1 4.06Å; I328-L527 HydrophobicContact CG1-CD2 4.39Å
329R90.2Very high85.6Confident208 Ų20861.7 Ų61.779%0.78530%0.3SS*.Hα-helixtrans-58.3-37.5174.7-173.1178176.2170.7-0.9112I325 V326 F327 I331 L332I325-R329 WeakPolarHBondContact O-CB 3.35Å; I325-R329 PolarHBondContact O-N 2.96Å; V326-R329 WeakPolarHBondContact O-CB 3.43Å; V326-R329 PolarHBondContact O-N 3.2Å; F327-R329 VanDerWaalsContact C-N 3.3Å; F327-R329 PolarHBondContact O-N 2.9Å; R329-I331 VanDerWaalsContact C-N 3.32Å; R329-I331 PolarHBondContact O-N 3.41Å; R329-L332 WeakPolarHBondContact O-CB 3.3Å; R329-L332 PolarHBondContact O-N 2.99Å
330G84Confident83.9Confident9 Ų961.7 Ų61.79%0.09331%0.309CS..Hα-helixtrans-67.4-26.817700000114.4V326 F327 I328 N417V326-G330 PolarHBondContact O-N 3.47Å; F327-G330 PolarHBondContact O-N 3.26Å; F327-G330 VanDerWaalsContact O-N 3.13Å; I328-G330 PolarHBondContact O-N 2.88Å; G330-N417 WeakPolarHBondContact O-CB 3.3Å; G330-N417 PolarHBondContact O-ND2 2.99Å
331I89.1Confident82Confident1 Ų162 Ų621%0.00531%0.311CS..Hα-helixtrans-104.43.3178.159170.5000113.7F327 I328 R329 Q333 A334 L335 C413 L414 L523 A526F327-I331 HydrophobicContact CD1-CD1 4.4Å; F327-I331 HydrophobicContact CE1-CD1 4.23Å; F327-I331 PolarHBondContact O-N 3.18Å; I328-I331 CarbonylContact O-C 3.38Å; I328-I331 VanDerWaalsContact O-CG1 3.28Å; I328-I331 WeakPolarHBondContact O-CG1 3.49Å; I328-I331 PolarHBondContact O-N 3.37Å; I328-I331 VanDerWaalsContact O-N 3.1Å; R329-I331 VanDerWaalsContact C-N 3.32Å; R329-I331 PolarHBondContact O-N 3.41Å; I331-Q333 PolarHBondContact O-N 3.4Å; I331-Q333 VanDerWaalsContact O-N 3.14Å; I331-A334 WeakPolarHBondContact O-CA 3.3Å; I331-A334 WeakPolarHBondContact O-CB 3.36Å; I331-A334 PolarHBondContact O-N 3.36Å; I331-L335 HydrophobicContact CD1-CD1 4.37Å; I331-L335 HydrophobicContact CG1-CD1 4.29Å; I331-L335 PolarHBondContact O-N 3.49Å; I331-L335 VanDerWaalsContact O-N 3.12Å; I331-C413 HydrophobicContact CG2-CB 4.1Å; I331-L414 HydrophobicContact CG2-CD2 3.77Å; I331-L414 HydrophobicContact CG2-CG 4.13Å; I331-L523 HydrophobicContact CD1-CD1 3.81Å; I331-A526 HydrophobicContact CD1-CB 3.44Å; I331-A526 VanDerWaalsContact CD1-CB 3.44Å; I331-A526 HydrophobicContact CG2-CB 4.25Å
332L83.4Confident79.8Confident85 Ų8555.8 Ų55.845%0.44529%0.286SS..Hα-helixtrans-55.3-37.1-175.5-177.862.8000112.6I328 R329 A334 L335 L336I328-L332 PolarHBondContact O-N 2.97Å; R329-L332 WeakPolarHBondContact O-CB 3.3Å; R329-L332 PolarHBondContact O-N 2.99Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.36Å; L332-L335 PolarHBondContact O-N 3.47Å; L332-L336 HydrophobicContact CD1-CG 4.34Å; L332-L336 HydrophobicContact CG-CD1 4.21Å; L332-L336 HydrophobicContact CG-CG 4.39Å; L332-L336 WeakPolarHBondContact O-CG 3.38Å; L332-L336 PolarHBondContact O-N 2.98Å
333Q74.3Confident77.3Confident117 Ų11751.6 Ų51.655%0.54727%0.271SS..Hα-helixtrans-59.1-43.7175.1-179.3177.8-11.100112I331 I337I331-Q333 PolarHBondContact O-N 3.4Å; I331-Q333 VanDerWaalsContact O-N 3.14Å; Q333-I337 HydrophobicContact CG-CD1 4.01Å; Q333-I337 WeakPolarHBondContact O-CB 3.5Å; Q333-I337 WeakPolarHBondContact O-CD1 3.15Å; Q333-I337 WeakPolarHBondContact O-CG1 3.39Å; Q333-I337 PolarHBondContact O-N 3.49Å; Q333-I337 VanDerWaalsContact O-N 3.08Å
334A73.4Confident74.6Confident1 Ų151.2 Ų51.21%0.00826%0.263CS..Hα-helixtrans-66.6-38177.200000111.6I331 L332 I337 A338 I409I331-A334 WeakPolarHBondContact O-CA 3.3Å; I331-A334 WeakPolarHBondContact O-CB 3.36Å; I331-A334 PolarHBondContact O-N 3.36Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.36Å; A334-I337 CarbonylContact O-C 3.46Å; A334-I337 PolarHBondContact O-N 2.86Å; A334-A338 WeakPolarHBondContact O-CB 3.41Å; A334-A338 PolarHBondContact O-N 3.08Å; A334-I409 HydrophobicContact CB-CG2 4.23Å
335L80.8Confident71.9Confident12 Ų1256.4 Ų56.46%0.06328%0.284CS..Hα-helixtrans-67.3-45.4177.7-61.3176.7000112.7I328 I331 L332 I337 A338 L339 M519 V522 L523I328-L335 HydrophobicContact CG2-CD1 4.07Å; I331-L335 HydrophobicContact CD1-CD1 4.37Å; I331-L335 HydrophobicContact CG1-CD1 4.29Å; I331-L335 PolarHBondContact O-N 3.49Å; I331-L335 VanDerWaalsContact O-N 3.12Å; L332-L335 PolarHBondContact O-N 3.47Å; L335-I337 PolarHBondContact O-N 3.43Å; L335-A338 PolarHBondContact O-N 3Å; L335-A338 VanDerWaalsContact O-N 3.17Å; L335-L339 WeakPolarHBondContact O-CB 3.23Å; L335-L339 PolarHBondContact O-N 2.88Å; L335-M519 HydrophobicContact CB-CG 4.23Å; L335-M519 HydrophobicContact CD2-CG 4.23Å; L335-V522 HydrophobicContact CD2-CG1 4.25Å; L335-L523 HydrophobicContact CD1-CD1 4.09Å; L335-L523 HydrophobicContact CD2-CB 3.76Å; L335-L523 HydrophobicContact CD2-CD1 4.33Å
336L75.3Confident69Low103 Ų10356.2 Ų56.254%0.53928%0.284SS..Hα-helixtrans-61.1-38174.9-71.7174.7000111.2L332 A340L332-L336 HydrophobicContact CD1-CG 4.34Å; L332-L336 HydrophobicContact CG-CD1 4.21Å; L332-L336 HydrophobicContact CG-CG 4.39Å; L332-L336 WeakPolarHBondContact O-CG 3.38Å; L332-L336 PolarHBondContact O-N 2.98Å; L336-A340 VanDerWaalsContact O-CB 3.29Å; L336-A340 WeakPolarHBondContact O-CB 3.33Å; L336-A340 PolarHBondContact O-N 3.36Å
337I69.7Low66.1Low32 Ų3255.2 Ų55.216%0.16427%0.273CS..Hα-helixtrans-67.8-47.6174-71.1172.9000109.5Q333 A334 L335 L339 A340 T341 T406 I409Q333-I337 HydrophobicContact CG-CD1 4.01Å; Q333-I337 WeakPolarHBondContact O-CB 3.5Å; Q333-I337 WeakPolarHBondContact O-CD1 3.15Å; Q333-I337 WeakPolarHBondContact O-CG1 3.39Å; Q333-I337 PolarHBondContact O-N 3.49Å; Q333-I337 VanDerWaalsContact O-N 3.08Å; A334-I337 CarbonylContact O-C 3.46Å; A334-I337 PolarHBondContact O-N 2.86Å; L335-I337 PolarHBondContact O-N 3.43Å; I337-L339 VanDerWaalsContact C-N 3.29Å; I337-L339 PolarHBondContact O-N 3.44Å; I337-A340 CarbonylContact O-C 3.58Å; I337-A340 WeakPolarHBondContact O-CA 3.46Å; I337-A340 PolarHBondContact O-N 2.89Å; I337-T341 VanDerWaalsContact C-OG1 3.3Å; I337-T341 WeakPolarHBondContact CG2-OG1 3.36Å; I337-T341 WeakPolarHBondContact O-CA 3.4Å; I337-T341 WeakPolarHBondContact O-CB 3.47Å; I337-T341 PolarHBondContact O-N 2.93Å; I337-T341 PolarHBondContact O-OG1 3.06Å; I337-T406 HydrophobicContact CG2-CG2 4.07Å; I337-I409 HydrophobicContact CD1-CD1 3.76Å; I337-I409 HydrophobicContact CD1-CG2 4.08Å; I337-I409 HydrophobicContact CG2-CD1 4.05Å
338A70.6Confident63.4Low0 Ų057.5 Ų57.50%029%0.288CS..Hα-helixtrans-55-44.7176.400000112.4A334 L335 A340 T341 T406 T518 V522A334-A338 WeakPolarHBondContact O-CB 3.41Å; A334-A338 PolarHBondContact O-N 3.08Å; L335-A338 PolarHBondContact O-N 3Å; L335-A338 VanDerWaalsContact O-N 3.17Å; A338-A340 VanDerWaalsContact C-N 3.3Å; A338-A340 PolarHBondContact O-N 3.08Å; A338-T341 PolarHBondContact O-N 3.33Å; A338-T406 HydrophobicContact CB-CG2 4.02Å; A338-T518 HydrophobicContact CB-CG2 4.35Å; A338-V522 HydrophobicContact CB-CB 4.23Å; A338-V522 HydrophobicContact CB-CG1 4.49Å; A338-V522 HydrophobicContact CB-CG2 3.93Å
339L74.9Confident60.4Low53 Ų5367 Ų6728%0.27732%0.322SS..Hα-helixtrans-59.6-38.6174.2-171.371.2000112.3L335 I337 R515 F516 M519L335-L339 WeakPolarHBondContact O-CB 3.23Å; L335-L339 PolarHBondContact O-N 2.88Å; I337-L339 VanDerWaalsContact C-N 3.29Å; I337-L339 PolarHBondContact O-N 3.44Å; L339-R515 HydrophobicContact CD1-CB 4.03Å; L339-F516 HydrophobicContact CD1-CD1 4.11Å; L339-F516 HydrophobicContact CD1-CE1 4.15Å; L339-M519 HydrophobicContact CB-SD 4.26Å; L339-M519 HydrophobicContact CD1-SD 4.1Å
340A59.4Low57.5Low57 Ų5761 Ų6147%0.47132%0.317SS..Hα-helixtrans-85.6-22.9179.500000114.7L336 I337 A338L336-A340 VanDerWaalsContact O-CB 3.29Å; L336-A340 WeakPolarHBondContact O-CB 3.33Å; L336-A340 PolarHBondContact O-N 3.36Å; I337-A340 CarbonylContact O-C 3.58Å; I337-A340 WeakPolarHBondContact O-CA 3.46Å; I337-A340 PolarHBondContact O-N 2.89Å; A338-A340 VanDerWaalsContact C-N 3.3Å; A338-A340 PolarHBondContact O-N 3.08Å
341T53.4Low55Low12 Ų1266.5 Ų66.57%0.07434%0.343CS..Hα-helixtrans-93.2-0.2-164.8-53.90000112.7I337 A338 S343 R344 T406I337-T341 VanDerWaalsContact C-OG1 3.3Å; I337-T341 WeakPolarHBondContact CG2-OG1 3.36Å; I337-T341 WeakPolarHBondContact O-CA 3.4Å; I337-T341 WeakPolarHBondContact O-CB 3.47Å; I337-T341 PolarHBondContact O-N 2.93Å; I337-T341 PolarHBondContact O-OG1 3.06Å; A338-T341 PolarHBondContact O-N 3.33Å; T341-S343 PolarHBondContact O-N 3.25Å; T341-R344 HydrophobicContact CG2-CB 3.94Å; T341-R344 PolarHBondContact O-N 3.14Å; T341-R344 PolarHBondContact OG1-NE 3.44Å; T341-R344 PolarHBondContact OG1-NH2 3.31Å; T341-T406 HydrophobicContact CG2-CG2 4.38Å
342S49.9Very low52.2Low15 Ų1572.3 Ų72.311%0.10537%0.371CS..THydrogen-bonded Turntrans-55.4-11.8163.798.70000113R515S342-R515 WeakPolarHBondContact OG-CG 3.39Å
343S37.2Very low49.3Very low28 Ų2872.9 Ų72.920%0.19638%0.38CS..THydrogen-bonded Turntrans-98.2-13.8176.2-1690000116.5N17 T341N17-S343 PolarHBondContact OD1-O 3.03Å; N17-S343 PolarHBondContact OD1-OG 3.45Å; T341-S343 PolarHBondContact O-N 3.25Å
344R36.7Very low47.1Very low85 Ų8572.8 Ų72.832%0.32139%0.39SS..  trans-108.991.2-161.8-63.3-168.4-81.9-155.1-3.2113.5T341 N346T341-R344 HydrophobicContact CG2-CB 3.94Å; T341-R344 PolarHBondContact O-N 3.14Å; T341-R344 PolarHBondContact OG1-NE 3.44Å; T341-R344 PolarHBondContact OG1-NH2 3.31Å; R344-N346 PolarHBondContact O-N 2.62Å
345K37.8Very low45.1Very low120 Ų12084.7 Ų84.752%0.52244%0.435SS..THydrogen-bonded Turntrans-67.6-5.4172.3-85.5-170.6173.4-172.30115.5
346N32.7Very low42.6Very low106 Ų10688.1 Ų88.157%0.56746%0.46SS*.THydrogen-bonded Turntrans-142.413.1-164.2-91.7-27.6000117.4R344R344-N346 PolarHBondContact O-N 2.62Å
347Q30Very low40.1Very low79 Ų7993 Ų9337%0.36948%0.477SS..SBendtrans-80.8-15-175.7-157.5163.71.600114.8R349 A350 L351Q347-R349 PolarHBondContact O-N 3.44Å; Q347-A350 PolarHBondContact O-N 3.01Å; Q347-L351 HydrophobicContact CG-CD1 4.38Å
348V36.5Very low38.2Very low62 Ų6296.8 Ų96.838%0.37650%0.504SS..G310 helixtrans-72.7-28-175.4-173.50000112.7A350 Q352V348-A350 VanDerWaalsContact C-N 3.31Å; V348-A350 PolarHBondContact O-N 2.98Å; V348-Q352 PolarHBondContact O-OE1 3.33Å
349R29.8Very low36.2Very low222 Ų222103.3 Ų103.384%0.83855%0.546SS*.G310 helixtrans-70.1-20.4177.9-84.5-173.2-179.6-176.91.2115Q347Q347-R349 PolarHBondContact O-N 3.44Å
350A28.5Very low33.9Very low81 Ų81106.6 Ų106.667%0.66957%0.573SS**G310 helixtrans-93.7-13.4-173.200000114.2Q347 V348Q347-A350 PolarHBondContact O-N 3.01Å; V348-A350 VanDerWaalsContact C-N 3.31Å; V348-A350 PolarHBondContact O-N 2.98Å
351L31.9Very low32.5Very low125 Ų125108.3 Ų108.365%0.65459%0.587SS**THydrogen-bonded Turntrans-104-4.4-176.3-78.9154.9000113.5Q347Q347-L351 HydrophobicContact CG-CD1 4.38Å
352Q30.4Very low31.2Very low124 Ų124112.6 Ų112.658%0.57962%0.624SS**SBendtrans-96.16.5179.9-85.3168.1-31.800114.5V348V348-Q352 PolarHBondContact O-OE1 3.33Å
353C22.6Very low30Very low96 Ų96116.5 Ų116.565%0.64966%0.657SS**  trans-119.1106.3172-70.90000109.9R355C353-R355 PolarHBondContact O-N 3.43Å
354P27.9Very low29.6Very low115 Ų115121.2 Ų121.275%0.74769%0.687SS**  trans-63.8109.1156.63.411.2000106.4S356P354-S356 VanDerWaalsContact C-N 3.27Å; P354-S356 PolarHBondContact O-N 3.35Å
355R31.5Very low29.2Very low252 Ų252126.4 Ų126.495%0.95172%0.715SS**  trans-68.593.5162.5-81.1-175.4176.6178.2-2.1107.1C353C353-R355 PolarHBondContact O-N 3.43Å
356S27.1Very low28.7Very low84 Ų84129.7 Ų129.759%0.58773%0.732SS**  trans-13772.6169.656.80000110P354P354-S356 VanDerWaalsContact C-N 3.27Å; P354-S356 PolarHBondContact O-N 3.35Å
357F24.8Very low28.3Very low205 Ų205133 Ų13390%0.89974%0.744SS**  trans-148.4123.7152.2-84.9-74.8000108.2
358P28.3Very low28Very low112 Ų112139.1 Ų139.173%0.72777%0.769SS**  trans-75154.7164.832.3-30000109.4S360P358-S360 PolarHBondContact O-N 3.47Å
359P28.5Very low27.5Very low136 Ų136144.4 Ų144.488%0.88379%0.79SS**  trans-75.5114.8-178.930-29.5000109.8
360S26.9Very low27.2Very low122 Ų122138.2 Ų138.285%0.85378%0.78SS**  trans-90140.3160.8174.70000109.1P358P358-S360 PolarHBondContact O-N 3.47Å
361A29.3Very low26.9Very low93 Ų93146.4 Ų146.477%0.76979%0.794SS**  trans-75.1165.6-166.300000115.4
362A28Very low26.4Very low102 Ų102151.2 Ų151.284%0.84380%0.804SS**  trans83.8108.5155.100000119.3
363A24.4Very low26.1Very low97 Ų97149.3 Ų149.380%0.80282%0.817SS**  162.8161.7120.500000109.9
364P28.5Very low26.1Very low128 Ų128148.6 Ų148.683%0.83183%0.826SS**  -103.9168.8-111.77.616.3000114.8
365Q28.3Very low25.9Very low193 Ų193148.9 Ų148.990%0.90283%0.83SS**  trans-58.5126.8174-75.3175.2-41.500112.5
366E25.8Very low25.6Very low189 Ų189145.4 Ų145.488%0.88383%0.829SS**  trans-137.1155.9151.2-83.3-161.7152.300112
367H25.6Very low25.5Very low175 Ų175145.1 Ų145.181%0.8184%0.839SS**  trans-55.1130.6-154.2-83.3-110.5000117.1H369H367-H369 PolarHBondContact O-N 3.4Å
368K24Very low25.5Very low208 Ų208148.2 Ų148.290%0.90485%0.845SS**  trans-77.3111.7161.1-80.5177.6176.1172.60109.9
369H25.2Very low25.3Very low173 Ų173146.2 Ų146.280%0.80185%0.845SS**  trans-99.8126.6151.6-91.4-79000110.7H367H367-H369 PolarHBondContact O-N 3.4Å
370S23.1Very low25.1Very low92 Ų92149 Ų14964%0.64385%0.846SS**  trans-58.6130.5175.1156.40000112.4
371W22.6Very low25.2Very low253 Ų253151.3 Ų151.396%0.95885%0.848SS**  trans-138.6118.5146-85.896000111.5
372R22.6Very low25.4Very low227 Ų227152.4 Ų152.486%0.85785%0.847SS**  trans-83.5143.5162.5-70.6179.1-169.1-1142.2108.5
373G22.7Very low25.3Very low84 Ų84155.4 Ų155.487%0.86685%0.849SS**  trans80.5140.5143.100000117.1
374G23.2Very low25.2Very low81 Ų81155 Ų15584%0.83585%0.854SS**  trans144.5101.9163.700000113.9
375C24.1Very low25Very low121 Ų121152.3 Ų152.382%0.81885%0.85SS**  trans-68.9162.4165.4-75.10000112.2
376L25.5Very low25.2Very low179 Ų179149.9 Ų149.994%0.93785%0.85SS**  trans77.7125.8155.9-65.5151.7000117.9
377G23.1Very low25.1Very low77 Ų77144.5 Ų144.579%0.79485%0.846SS**  trans171.191.516700000111.8
378W25.8Very low25.1Very low271 Ų271145.1 Ų145.1100%1.02785%0.848SS**  trans-70.5138.5156.6-85.473.8000108.4
379G23.3Very low25.4Very low70 Ų70141.5 Ų141.572%0.72285%0.847SS**  trans145.5133.8162.300000114.8
380E25.9Very low25.3Very low194 Ų194136.3 Ų136.391%0.90784%0.84SS**  trans92.294.2156.9-54.1-166.5146.500118.9
381L27.4Very low25.4Very low171 Ų171143.4 Ų143.490%0.89585%0.852SS**  trans-74150.6141.4-85.6154.4000109.3
382P34Very low25.4Very low116 Ų116134.8 Ų134.875%0.75384%0.842SS**  -137.7139.4117.729.5-13.1000115.1
383N25.6Very low25.4Very low165 Ų165129.9 Ų129.988%0.88284%0.841SS**  trans22130.5146.1-72.1-17.5000122.5
384G23.6Very low25.6Very low88 Ų88137 Ų13791%0.90784%0.842SS**  126.6112.3120.100000117.9
385G23.9Very low25.7Very low72 Ų72137 Ų13774%0.74284%0.835SS**  trans147.1124.6157.700000115.1
386P31.1Very low26Very low141 Ų141137.8 Ų137.892%0.91683%0.83SS**  trans-86.1122.8-178.833.6-28.5000110.5
387G25.7Very low26.1Very low76 Ų76134.8 Ų134.878%0.78482%0.82SS**  trans-134.7126.5179.300000111.6
388H25Very low26.5Very low188 Ų188133.5 Ų133.587%0.8781%0.806SS**  trans-40.8154.3178-86-84.4000116.6G390H388-G390 PolarHBondContact O-N 3.1Å
389P30.2Very low26.8Very low133 Ų133123 Ų12386%0.86477%0.773SS**  trans-77.187.6-177.933.2-32.2000110.3
390G23.1Very low27.4Very low64 Ų64124.6 Ų124.666%0.6677%0.773SS**  trans-96.6109.2177.100000112.3H388H388-G390 PolarHBondContact O-N 3.1Å
391R24.5Very low28.2Very low241 Ų241116 Ų11691%0.90973%0.733SS**  trans46.795.7154.1-74.6179.8-92.4-110.4-0.3116.4C393R391-C393 PolarHBondContact O-N 3.43Å
392G22.8Very low29.3Very low71 Ų71110.8 Ų110.873%0.73270%0.702SS**  trans-5998.5164.700000111.8W394G392-W394 VanDerWaalsContact C-N 3.35Å; G392-W394 PolarHBondContact O-N 2.91Å; G392-W394 VanDerWaalsContact O-N 3.16Å
393C22.7Very low30.1Very low125 Ų125105.7 Ų105.785%0.84567%0.669SS**  trans-63.1105.2145.1-87.30000105.9R391 A395R391-C393 PolarHBondContact O-N 3.43Å; C393-A395 PolarHBondContact O-N 3.09Å
394W27Very low31.7Very low232 Ų23299.7 Ų99.788%0.87964%0.64SS**  trans-57.393.3164.5-72.882.3000107.2G392 D396G392-W394 VanDerWaalsContact C-N 3.35Å; G392-W394 PolarHBondContact O-N 2.91Å; G392-W394 VanDerWaalsContact O-N 3.16Å; W394-D396 VanDerWaalsContact C-N 3.28Å; W394-D396 PolarHBondContact O-N 3.42Å
395A25.3Very low33.3Very low83 Ų8396.9 Ų96.969%0.68661%0.608SS**  trans-66.99816500000105.5C393 T397C393-A395 PolarHBondContact O-N 3.09Å; A395-T397 PolarHBondContact O-N 3.19Å
396D29.9Very low35.2Very low136 Ų13693.4 Ų93.473%0.72757%0.573SS**  trans-63.278.3173-78.9-33.5000109.8W394 G398W394-D396 VanDerWaalsContact C-N 3.28Å; W394-D396 PolarHBondContact O-N 3.42Å; D396-G398 VanDerWaalsContact C-N 3.34Å
397T27.8Very low37.2Very low116 Ų11688.6 Ų88.671%0.71254%0.539SS*.  trans-103.741.1160.548.20000110.1A395A395-T397 PolarHBondContact O-N 3.19Å
398G31.5Very low39.2Very low50 Ų5088.3 Ų88.352%0.51552%0.523SS..  trans-66.4148.4173.300000112D396 S400D396-G398 VanDerWaalsContact C-N 3.34Å; G398-S400 PolarHBondContact O-N 2.9Å
399P33Very low41.4Very low51 Ų5181 Ų8133%0.33149%0.49SS..  trans-59.8127.9177.523.2-31000110.8M258 N401M258-P399 HydrophobicContact CG-CB 4.41Å; P399-N401 PolarHBondContact O-N 2.94Å; P399-N401 VanDerWaalsContact O-N 3.11Å
400S35.2Very low43.6Very low103 Ų10375 Ų7572%0.7245%0.451SS*.  trans-84.389.6-170.92.40000111.2G398G398-S400 PolarHBondContact O-N 2.9Å
401N43.6Very low46.1Very low13 Ų1373.8 Ų73.87%0.0743%0.428CS..  trans-81.1155167.4-117.314.2000112.4P399 S403 S404 A405 M437 A478 A479 G480 I481P399-N401 PolarHBondContact O-N 2.94Å; P399-N401 VanDerWaalsContact O-N 3.11Å; N401-S403 VanDerWaalsContact C-N 3.34Å; N401-S403 PolarHBondContact O-N 3.43Å; N401-S404 WeakPolarHBondContact CA-OG 3.41Å; N401-S404 PolarHBondContact N-OG 3.5Å; N401-S404 PolarHBondContact O-N 2.95Å; N401-S404 VanDerWaalsContact O-N 3.09Å; N401-S404 PolarHBondContact O-OG 3.45Å; N401-A405 PolarHBondContact O-N 3.22Å; N401-M437 WeakPolarHBondContact ND2-CE 3.28Å; N401-A478 PolarHBondContact ND2-O 2.91Å; N401-A479 VanDerWaalsContact ND2-CA 3.35Å; N401-A479 WeakPolarHBondContact ND2-CA 3.47Å; N401-G480 VanDerWaalsContact CG-CA 3.43Å; N401-G480 PolarHBondContact ND2-N 3.4Å; N401-G480 WeakPolarHBondContact OD1-CA 3.5Å; N401-G480 PolarHBondContact OD1-N 3.34Å; N401-G480 PolarHBondContact OD1-O 3.07Å; N401-I481 PolarHBondContact OD1-N 2.79Å; N401-I481 PolarHBondContact OD1-O 2.84Å; N401-I481 VanDerWaalsContact OD1-O 3.12Å
402R50.8Low48.3Very low63 Ų6367.8 Ų67.824%0.23841%0.408CS..THydrogen-bonded Turntrans-61.5-37.9-176.3-75.5-177.1-92.2-150.3-0.6113.3D514 T518R402-D514 WeakPolarHBondContact CD-OD2 3.46Å; R402-D514 IonicContact CZ-OD1 3.05Å; R402-D514 IonicContact CZ-OD2 2.88Å; R402-D514 IonicContact NE-OD1 4Å; R402-D514 IonicContact NE-OD2 3.09Å; R402-D514 PolarHBondContact NE-OD2 2.86Å; R402-D514 IonicContact NH1-OD1 3.19Å; R402-D514 PolarHBondContact NH1-OD1 2.99Å; R402-D514 IonicContact NH1-OD2 2.82Å; R402-D514 PolarHBondContact NH1-OD2 3.06Å; R402-D514 VanDerWaalsContact NH2-CG 3.34Å; R402-D514 IonicContact NH2-OD1 3.52Å; R402-D514 PolarHBondContact NH2-OD1 3.34Å; R402-D514 IonicContact NH2-OD2 3.8Å; R402-T518 HydrophobicContact CB-CG2 4.02Å
403S50.5Low50.9Low8 Ų864.6 Ų64.66%0.05637%0.374CS..THydrogen-bonded Turntrans-73.4-32.2173.3-53.20000112.9N401 A405 T406 L407N401-S403 VanDerWaalsContact C-N 3.34Å; N401-S403 PolarHBondContact O-N 3.43Å; S403-A405 VanDerWaalsContact C-N 3.33Å; S403-T406 PolarHBondContact O-N 3.21Å; S403-T406 PolarHBondContact O-OG1 2.77Å; S403-L407 PolarHBondContact O-N 3.45Å
404S58.8Low53.9Low39 Ų3958.6 Ų58.627%0.27333%0.334SS..G310 helixtrans-72.8-27.2176.569.20000112.4N401 T406 L407N401-S404 WeakPolarHBondContact CA-OG 3.41Å; N401-S404 PolarHBondContact N-OG 3.5Å; N401-S404 PolarHBondContact O-N 2.95Å; N401-S404 VanDerWaalsContact O-N 3.09Å; N401-S404 PolarHBondContact O-OG 3.45Å; S404-T406 PolarHBondContact O-N 3.44Å; S404-L407 VanDerWaalsContact O-CB 3.25Å; S404-L407 WeakPolarHBondContact O-CB 3.3Å; S404-L407 PolarHBondContact O-N 3.41Å
405A56.2Low56.5Low29 Ų2949.8 Ų49.824%0.2430%0.304CS..G310 helixtrans-64.5-26.4172.800000113.5N401 S403N401-A405 PolarHBondContact O-N 3.22Å; S403-A405 VanDerWaalsContact C-N 3.33Å
406T65.3Low59.3Low0 Ų051 Ų510%030%0.295CS..G310 helixtrans-91-11.9176.747.70000114.3I337 A338 T341 S403 S404 I409 T410 V522I337-T406 HydrophobicContact CG2-CG2 4.07Å; A338-T406 HydrophobicContact CB-CG2 4.02Å; T341-T406 HydrophobicContact CG2-CG2 4.38Å; S403-T406 PolarHBondContact O-N 3.21Å; S403-T406 PolarHBondContact O-OG1 2.77Å; S404-T406 PolarHBondContact O-N 3.44Å; T406-I409 PolarHBondContact O-N 2.98Å; T406-T410 PolarHBondContact O-N 3.34Å; T406-T410 PolarHBondContact O-OG1 3.5Å; T406-V522 VanDerWaalsContact OG1-CG2 3.25Å; T406-V522 WeakPolarHBondContact OG1-CG2 3.38Å
407L71.7Confident61.9Low40 Ų4048.3 Ų48.321%0.20928%0.281CS..Hα-helixtrans-53.3-43.8-172.9-172148.6000114.1S403 S404 I409 T410 F411 L429 P430 A433S403-L407 PolarHBondContact O-N 3.45Å; S404-L407 VanDerWaalsContact O-CB 3.25Å; S404-L407 WeakPolarHBondContact O-CB 3.3Å; S404-L407 PolarHBondContact O-N 3.41Å; L407-I409 VanDerWaalsContact C-N 3.28Å; L407-I409 PolarHBondContact O-N 3.37Å; L407-T410 PolarHBondContact O-N 3.36Å; L407-F411 VanDerWaalsContact O-CB 3.23Å; L407-F411 WeakPolarHBondContact O-CB 3.45Å; L407-F411 PolarHBondContact O-N 2.74Å; L407-L429 HydrophobicContact CD1-CB 4.29Å; L407-L429 HydrophobicContact CG-CB 4.31Å; L407-P430 HydrophobicContact CD1-CB 4.3Å; L407-P430 HydrophobicContact CD1-CG 4.14Å; L407-A433 HydrophobicContact CD1-CB 4.07Å
408P68.2Low64.8Low70 Ų7044.2 Ų44.246%0.45526%0.255SS..Hα-helixtrans-62.8-33179.1-23.934.8000113.8K412P408-K412 PolarHBondContact O-N 3.09Å; P408-K412 VanDerWaalsContact O-N 3.1Å
409I72.3Confident67.6Low34 Ų3449.1 Ų49.117%0.17426%0.264CS..Hα-helixtrans-80.5-42-178.6-60.9174.8000110A334 I337 T406 L407 F411 K412 C413A334-I409 HydrophobicContact CB-CG2 4.23Å; I337-I409 HydrophobicContact CD1-CD1 3.76Å; I337-I409 HydrophobicContact CD1-CG2 4.08Å; I337-I409 HydrophobicContact CG2-CD1 4.05Å; T406-I409 PolarHBondContact O-N 2.98Å; L407-I409 VanDerWaalsContact C-N 3.28Å; L407-I409 PolarHBondContact O-N 3.37Å; I409-F411 VanDerWaalsContact C-N 3.26Å; I409-F411 PolarHBondContact O-N 2.99Å; I409-K412 PolarHBondContact O-N 3.41Å; I409-C413 PolarHBondContact O-N 3.19Å; I409-C413 PolarHBondContact O-SG 2.97Å
410T75.8Confident70.2Confident6 Ų647.7 Ų47.74%0.03725%0.253CS..Hα-helixtrans-57.4-44.3171.9-52.90000110.4T406 L407 C413 L414 L429 V522 A526T406-T410 PolarHBondContact O-N 3.34Å; T406-T410 PolarHBondContact O-OG1 3.5Å; L407-T410 PolarHBondContact O-N 3.36Å; T410-C413 PolarHBondContact O-N 3.22Å; T410-L414 HydrophobicContact CG2-CD1 4.06Å; T410-L414 VanDerWaalsContact O-CG 3.32Å; T410-L414 WeakPolarHBondContact O-CG 3.4Å; T410-L414 PolarHBondContact O-N 3.32Å; T410-L429 HydrophobicContact CG2-CD1 4.27Å; T410-L429 HydrophobicContact CG2-CD2 4.14Å; T410-V522 HydrophobicContact CG2-CG1 4.28Å; T410-V522 WeakPolarHBondContact OG1-CG1 3.48Å; T410-A526 HydrophobicContact CG2-CB 4.13Å
411F76.1Confident72.5Confident40 Ų4045.5 Ų45.518%0.17523%0.234CC..Hα-helixtrans-57.4-50.6175.4-172.1-94.9000111.9L407 I409 C413 L414 L415 R422 A425 R426 L429L407-F411 VanDerWaalsContact O-CB 3.23Å; L407-F411 WeakPolarHBondContact O-CB 3.45Å; L407-F411 PolarHBondContact O-N 2.74Å; I409-F411 VanDerWaalsContact C-N 3.26Å; I409-F411 PolarHBondContact O-N 2.99Å; F411-C413 PolarHBondContact O-N 2.84Å; F411-L414 PolarHBondContact O-N 3.41Å; F411-L415 HydrophobicContact CD1-CD1 3.84Å; F411-L415 HydrophobicContact CD1-CG 4.42Å; F411-L415 HydrophobicContact CE1-CD1 3.31Å; F411-L415 HydrophobicContact CE1-CG 4.18Å; F411-L415 HydrophobicContact CZ-CD1 3.83Å; F411-L415 HydrophobicContact CZ-CG 4.47Å; F411-L415 WeakPolarHBondContact O-CG 3.4Å; F411-L415 PolarHBondContact O-N 3.1Å; F411-L415 VanDerWaalsContact O-N 3.15Å; F411-R422 HydrophobicContact CZ-CG 3.78Å; F411-A425 HydrophobicContact CD2-CB 3.86Å; F411-A425 HydrophobicContact CE2-CB 3.66Å; F411-R426 HydrophobicContact CE2-CB 4.23Å; F411-R426 HydrophobicContact CE2-CG 3.42Å; F411-R426 VanDerWaalsContact CE2-CG 3.42Å; F411-R426 HydrophobicContact CZ-CG 3.54Å; F411-L429 HydrophobicContact CB-CD1 4.01Å; F411-L429 HydrophobicContact CD2-CD1 3.97Å; F411-L429 HydrophobicContact CG-CD1 4.5Å
412K70.3Confident74.2Confident114 Ų11450.4 Ų50.450%0.49625%0.251SS..Hα-helixtrans-57.9-47.7176.7-174.5179.3177.71780112.3P408 I409 L414 L415 E416P408-K412 PolarHBondContact O-N 3.09Å; P408-K412 VanDerWaalsContact O-N 3.1Å; I409-K412 PolarHBondContact O-N 3.41Å; K412-L414 VanDerWaalsContact C-N 3.29Å; K412-L414 PolarHBondContact O-N 3.35Å; K412-L415 PolarHBondContact O-N 3.37Å; K412-E416 WeakPolarHBondContact CE-OE1 3.36Å; K412-E416 WeakPolarHBondContact CE-OE2 3.11Å; K412-E416 HydrophobicContact CG-CG 4.32Å; K412-E416 IonicContact NZ-OE2 3.85Å; K412-E416 WeakPolarHBondContact O-CB 3.45Å; K412-E416 PolarHBondContact O-N 2.96Å
413C76.8Confident75.4Confident4 Ų452.6 Ų52.63%0.02726%0.259CS..Hα-helixtrans-61-38.5179.9-65.40000112I331 I409 T410 F411 N417 N418I331-C413 HydrophobicContact CG2-CB 4.1Å; I409-C413 PolarHBondContact O-N 3.19Å; I409-C413 PolarHBondContact O-SG 2.97Å; T410-C413 PolarHBondContact O-N 3.22Å; F411-C413 PolarHBondContact O-N 2.84Å; C413-N417 WeakPolarHBondContact O-CA 3.34Å; C413-N417 VanDerWaalsContact O-CB 3.26Å; C413-N417 WeakPolarHBondContact O-CB 3.36Å; C413-N417 PolarHBondContact O-N 3.28Å; C413-N418 PolarHBondContact O-N 3.31Å
414L85.4Confident77Confident0 Ų052.3 Ų52.30%026%0.257CS..Hα-helixtrans-68.8-37.1179.2-73.6170.4000113.1F327 I331 T410 F411 K412 N418 H419 I420 L429 A526 A529F327-L414 HydrophobicContact CE1-CD2 4.09Å; F327-L414 HydrophobicContact CE2-CD2 4.23Å; F327-L414 HydrophobicContact CZ-CD2 3.45Å; F327-L414 VanDerWaalsContact CZ-CD2 3.45Å; I331-L414 HydrophobicContact CG2-CD2 3.77Å; I331-L414 HydrophobicContact CG2-CG 4.13Å; T410-L414 HydrophobicContact CG2-CD1 4.06Å; T410-L414 VanDerWaalsContact O-CG 3.32Å; T410-L414 WeakPolarHBondContact O-CG 3.4Å; T410-L414 PolarHBondContact O-N 3.32Å; F411-L414 PolarHBondContact O-N 3.41Å; K412-L414 VanDerWaalsContact C-N 3.29Å; K412-L414 PolarHBondContact O-N 3.35Å; L414-N418 HydrophobicContact CD2-CB 4.43Å; L414-N418 CarbonylContact O-C 3.59Å; L414-H419 PolarHBondContact O-N 3.36Å; L414-I420 HydrophobicContact CB-CB 4.37Å; L414-I420 HydrophobicContact CB-CG1 4.44Å; L414-I420 HydrophobicContact CD2-CG1 4.22Å; L414-I420 PolarHBondContact O-N 3.48Å; L414-L429 HydrophobicContact CD1-CD1 3.62Å; L414-L429 HydrophobicContact CD1-CD2 3.69Å; L414-L429 HydrophobicContact CD1-CG 4.07Å; L414-A526 HydrophobicContact CD1-CB 4.39Å; L414-A526 HydrophobicContact CD2-CB 4.27Å; L414-A529 HydrophobicContact CD1-CB 4.07Å
415L81.1Confident77.9Confident46 Ų4650.5 Ų50.524%0.24124%0.244CC..Hα-helixtrans-74.1-50177.3-63.9-176000112.4F411 K412 H419 I420 R422 A425F411-L415 HydrophobicContact CD1-CD1 3.84Å; F411-L415 HydrophobicContact CD1-CG 4.42Å; F411-L415 HydrophobicContact CE1-CD1 3.31Å; F411-L415 HydrophobicContact CE1-CG 4.18Å; F411-L415 HydrophobicContact CZ-CD1 3.83Å; F411-L415 HydrophobicContact CZ-CG 4.47Å; F411-L415 WeakPolarHBondContact O-CG 3.4Å; F411-L415 PolarHBondContact O-N 3.1Å; F411-L415 VanDerWaalsContact O-N 3.15Å; K412-L415 PolarHBondContact O-N 3.37Å; L415-H419 WeakPolarHBondContact O-CA 3.42Å; L415-H419 PolarHBondContact O-N 3.4Å; L415-I420 WeakPolarHBondContact CD2-O 3.19Å; L415-R422 HydrophobicContact CD1-CG 4.31Å; L415-R422 HydrophobicContact CD2-CB 4Å; L415-R422 HydrophobicContact CD2-CG 4.31Å; L415-A425 HydrophobicContact CD2-CB 4.41Å
416E84.3Confident78.7Confident109 Ų10955.8 Ų55.851%0.50926%0.258SS..Hα-helixtrans-83-41.4-169.9-67.2179-173.200112.4K412 H419K412-E416 WeakPolarHBondContact CE-OE1 3.36Å; K412-E416 WeakPolarHBondContact CE-OE2 3.11Å; K412-E416 HydrophobicContact CG-CG 4.32Å; K412-E416 IonicContact NZ-OE2 3.85Å; K412-E416 WeakPolarHBondContact O-CB 3.45Å; K412-E416 PolarHBondContact O-N 2.96Å; E416-H419 PolarHBondContact O-CE1 3.17Å; E416-H419 PolarHBondContact O-ND1 3.45Å
417N85.8Confident79.3Confident80 Ų8059.2 Ų59.243%0.42827%0.273SS..THydrogen-bonded Turntrans-96.6-35.5-173.1-56.1-20.7000112.6G330 C413G330-N417 WeakPolarHBondContact O-CB 3.3Å; G330-N417 PolarHBondContact O-ND2 2.99Å; C413-N417 WeakPolarHBondContact O-CA 3.34Å; C413-N417 VanDerWaalsContact O-CB 3.26Å; C413-N417 WeakPolarHBondContact O-CB 3.36Å; C413-N417 PolarHBondContact O-N 3.28Å
418N87.9Confident79.9Confident29 Ų2957.3 Ų57.316%0.15526%0.263CS..SBendtrans-106.8-2.4-177.2-72-13.5000113.8F327 C413 L414 I420F327-N418 HydrophobicContact CD2-CB 4.06Å; F327-N418 VanDerWaalsContact CD2-ND2 3.31Å; F327-N418 WeakPolarHBondContact CD2-ND2 3.1Å; F327-N418 HydrophobicContact CE2-CB 3.79Å; F327-N418 VanDerWaalsContact CE2-ND2 3.29Å; F327-N418 WeakPolarHBondContact CE2-ND2 3.36Å; F327-N418 WeakPolarHBondContact CG-ND2 3.44Å; F327-N418 HydrophobicContact CZ-CB 4.47Å; F327-N418 WeakPolarHBondContact CZ-ND2 3.44Å; F327-N418 PolarHBondContact O-ND2 3.45Å; F327-N418 PolarHBondContact O-OD1 3.18Å; C413-N418 PolarHBondContact O-N 3.31Å; L414-N418 HydrophobicContact CD2-CB 4.43Å; L414-N418 CarbonylContact O-C 3.59Å; N418-I420 VanDerWaalsContact C-N 3.27Å; N418-I420 HydrophobicContact CB-CG1 4.2Å; N418-I420 PolarHBondContact O-N 2.91Å
419H89.6Confident80.4Confident154 Ų15454.1 Ų54.171%0.71324%0.242SC*.  trans51.541176.5-52.1-54.8000114.3L414 L415 E416L414-H419 PolarHBondContact O-N 3.36Å; L415-H419 WeakPolarHBondContact O-CA 3.42Å; L415-H419 PolarHBondContact O-N 3.4Å; E416-H419 PolarHBondContact O-CE1 3.17Å; E416-H419 PolarHBondContact O-ND1 3.45Å
420I88.4Confident80.4Confident20 Ų2055.2 Ų55.210%0.10325%0.252CS..  trans-78142175-61.3-58.4000110.1F327 L414 L415 N418 R422 I424 A425 A533F327-I420 HydrophobicContact CE2-CD1 4.12Å; F327-I420 HydrophobicContact CE2-CG1 4.24Å; L414-I420 HydrophobicContact CB-CB 4.37Å; L414-I420 HydrophobicContact CB-CG1 4.44Å; L414-I420 HydrophobicContact CD2-CG1 4.22Å; L414-I420 PolarHBondContact O-N 3.48Å; L415-I420 WeakPolarHBondContact CD2-O 3.19Å; N418-I420 VanDerWaalsContact C-N 3.27Å; N418-I420 HydrophobicContact CB-CG1 4.2Å; N418-I420 PolarHBondContact O-N 2.91Å; I420-R422 PolarHBondContact O-N 3.47Å; I420-I424 HydrophobicContact CG2-CB 4.44Å; I420-A425 HydrophobicContact CG2-CB 4.38Å; I420-A533 HydrophobicContact CD1-CB 3.75Å; I420-A533 HydrophobicContact CG2-CB 4.18Å
421D84.6Confident80.5Confident58 Ų5856 Ų5631%0.3126%0.257SS..  trans-60.8132.5176.9-171.6-56.7000110.9R423 I424 A425D421-R423 PolarHBondContact O-N 3.27Å; D421-R423 VanDerWaalsContact OD1-CB 3.24Å; D421-R423 WeakPolarHBondContact OD1-CB 3.43Å; D421-R423 WeakPolarHBondContact OD1-CG 3.2Å; D421-R423 IonicContact OD1-CZ 3.48Å; D421-R423 PolarHBondContact OD1-N 2.87Å; D421-R423 IonicContact OD1-NE 3.32Å; D421-R423 PolarHBondContact OD1-NE 3.35Å; D421-R423 VanDerWaalsContact OD1-NE 3.09Å; D421-R423 IonicContact OD1-NH2 3.99Å; D421-R423 IonicContact OD2-CZ 3.96Å; D421-R423 IonicContact OD2-NE 3.86Å; D421-R423 PolarHBondContact OD2-NE 3.26Å; D421-R423 IonicContact OD2-NH2 2.76Å; D421-R423 PolarHBondContact OD2-NH2 2.87Å; D421-I424 HydrophobicContact CB-CD1 4.19Å; D421-I424 HydrophobicContact CB-CG1 4.21Å; D421-I424 PolarHBondContact O-N 2.88Å; D421-I424 VanDerWaalsContact O-N 3.11Å; D421-A425 PolarHBondContact O-N 2.89Å
422R77.3Confident80.5Confident115 Ų11554.1 Ų54.143%0.43425%0.248SC..Hα-helixtrans-58-34-177.7-165.8-179.6-173.6178.34.3113.2F411 L415 I420 I424 R426F411-R422 HydrophobicContact CZ-CG 3.78Å; L415-R422 HydrophobicContact CD1-CG 4.31Å; L415-R422 HydrophobicContact CD2-CB 4Å; L415-R422 HydrophobicContact CD2-CG 4.31Å; I420-R422 PolarHBondContact O-N 3.47Å; R422-I424 VanDerWaalsContact C-N 3.34Å; R422-R426 HydrophobicContact CG-CG 4.36Å; R422-R426 VanDerWaalsContact CZ-NH2 3.26Å; R422-R426 VanDerWaalsContact O-CB 3.3Å; R422-R426 WeakPolarHBondContact O-CB 3.2Å; R422-R426 VanDerWaalsContact O-CG 3.28Å; R422-R426 WeakPolarHBondContact O-CG 3.34Å; R422-R426 PolarHBondContact O-N 3.28Å
423R77.1Confident80.6Confident109 Ų10949 Ų4941%0.41123%0.228SC..Hα-helixtrans-64.1-41.9178.8-62.8172.8-72.1-177.5-3.4110.8D421 F427D421-R423 PolarHBondContact O-N 3.27Å; D421-R423 VanDerWaalsContact OD1-CB 3.24Å; D421-R423 WeakPolarHBondContact OD1-CB 3.43Å; D421-R423 WeakPolarHBondContact OD1-CG 3.2Å; D421-R423 IonicContact OD1-CZ 3.48Å; D421-R423 PolarHBondContact OD1-N 2.87Å; D421-R423 IonicContact OD1-NE 3.32Å; D421-R423 PolarHBondContact OD1-NE 3.35Å; D421-R423 VanDerWaalsContact OD1-NE 3.09Å; D421-R423 IonicContact OD1-NH2 3.99Å; D421-R423 IonicContact OD2-CZ 3.96Å; D421-R423 IonicContact OD2-NE 3.86Å; D421-R423 PolarHBondContact OD2-NE 3.26Å; D421-R423 IonicContact OD2-NH2 2.76Å; D421-R423 PolarHBondContact OD2-NH2 2.87Å; R423-F427 PolarHBondContact O-N 3.34Å
424I83.4Confident80.4Confident3 Ų351.5 Ų51.52%0.01524%0.243CC..Hα-helixtrans-70.4-49.3178.7-56.7-179.3000110.1L88 I420 D421 R422 R426 F427 V428 M532 A533 F540L88-I424 HydrophobicContact CD1-CG2 4.4Å; I420-I424 HydrophobicContact CG2-CB 4.44Å; D421-I424 HydrophobicContact CB-CD1 4.19Å; D421-I424 HydrophobicContact CB-CG1 4.21Å; D421-I424 PolarHBondContact O-N 2.88Å; D421-I424 VanDerWaalsContact O-N 3.11Å; R422-I424 VanDerWaalsContact C-N 3.34Å; I424-R426 VanDerWaalsContact C-N 3.29Å; I424-R426 PolarHBondContact O-N 3.49Å; I424-F427 PolarHBondContact O-N 3.38Å; I424-F427 VanDerWaalsContact O-N 3.14Å; I424-V428 HydrophobicContact CG2-CG2 3.76Å; I424-V428 WeakPolarHBondContact O-CB 3.47Å; I424-V428 WeakPolarHBondContact O-CG2 3.06Å; I424-V428 PolarHBondContact O-N 3.01Å; I424-M532 HydrophobicContact CG2-CB 3.98Å; I424-A533 VanDerWaalsContact CD1-CA 3.44Å; I424-A533 HydrophobicContact CD1-CB 3.81Å; I424-F540 HydrophobicContact CD1-CD2 3.81Å; I424-F540 HydrophobicContact CD1-CE2 3.4Å; I424-F540 VanDerWaalsContact CD1-CE2 3.4Å; I424-F540 HydrophobicContact CD1-CZ 4.18Å; I424-F540 HydrophobicContact CG1-CD2 4.27Å; I424-F540 HydrophobicContact CG1-CE2 3.53Å; I424-F540 HydrophobicContact CG1-CZ 3.78Å
425A78.4Confident80.1Confident0 Ų051.9 Ų51.90%025%0.245CC..Hα-helixtrans-61.6-36.3-179.300000112.7F411 L415 I420 D421 F427 L429F411-A425 HydrophobicContact CD2-CB 3.86Å; F411-A425 HydrophobicContact CE2-CB 3.66Å; L415-A425 HydrophobicContact CD2-CB 4.41Å; I420-A425 HydrophobicContact CG2-CB 4.38Å; D421-A425 PolarHBondContact O-N 2.89Å; A425-F427 VanDerWaalsContact C-N 3.29Å; A425-F427 PolarHBondContact O-N 2.87Å; A425-L429 HydrophobicContact CB-CD1 4.48Å; A425-L429 WeakPolarHBondContact O-CB 3.36Å; A425-L429 WeakPolarHBondContact O-CG 3.44Å; A425-L429 PolarHBondContact O-N 3.33Å
426R73.3Confident80.3Confident140 Ų14049.7 Ų49.753%0.52823%0.233SC..Hα-helixtrans-70-26.6178.1-81.2-177.3163.5165.2-14.8113.1F411 R422 I424 P430F411-R426 HydrophobicContact CE2-CB 4.23Å; F411-R426 HydrophobicContact CE2-CG 3.42Å; F411-R426 VanDerWaalsContact CE2-CG 3.42Å; F411-R426 HydrophobicContact CZ-CG 3.54Å; R422-R426 HydrophobicContact CG-CG 4.36Å; R422-R426 VanDerWaalsContact CZ-NH2 3.26Å; R422-R426 VanDerWaalsContact O-CB 3.3Å; R422-R426 WeakPolarHBondContact O-CB 3.2Å; R422-R426 VanDerWaalsContact O-CG 3.28Å; R422-R426 WeakPolarHBondContact O-CG 3.34Å; R422-R426 PolarHBondContact O-N 3.28Å; I424-R426 VanDerWaalsContact C-N 3.29Å; I424-R426 PolarHBondContact O-N 3.49Å; R426-P430 VanDerWaalsContact O-CD 3.23Å; R426-P430 WeakPolarHBondContact O-CD 3.21Å; R426-P430 VanDerWaalsContact O-CG 3.28Å; R426-P430 WeakPolarHBondContact O-CG 3.48Å
427F77.4Confident80.4Confident72 Ų7244.9 Ų44.932%0.31621%0.211SC..Hα-helixtrans-88.8-51.9178.7-178.5-89.9000111.4L88 R423 I424 A425 V431L88-F427 HydrophobicContact CD2-CB 4.35Å; L88-F427 HydrophobicContact CD2-CD1 3.87Å; L88-F427 HydrophobicContact CD2-CG 4.18Å; L88-F427 HydrophobicContact CG-CD1 4.15Å; L88-F427 HydrophobicContact CG-CE1 4.43Å; R423-F427 PolarHBondContact O-N 3.34Å; I424-F427 PolarHBondContact O-N 3.38Å; I424-F427 VanDerWaalsContact O-N 3.14Å; A425-F427 VanDerWaalsContact C-N 3.29Å; A425-F427 PolarHBondContact O-N 2.87Å; F427-V431 VanDerWaalsContact O-CG2 3.22Å; F427-V431 WeakPolarHBondContact O-CG2 3.33Å
428V84Confident80.8Confident0 Ų041 Ų410%019%0.19CC..Hα-helixtrans-71-40.1-168.8176.70000112.6L88 T92 Y96 I424 G432 A528 A529 M532L88-V428 HydrophobicContact CD1-CG2 4.48Å; T92-V428 HydrophobicContact CG2-CG1 4.06Å; T92-V428 HydrophobicContact CG2-CG2 4.27Å; Y96-V428 WeakPolarHBondContact OH-CG1 3.29Å; Y96-V428 PolarHBondContact OH-O 3.01Å; I424-V428 HydrophobicContact CG2-CG2 3.76Å; I424-V428 WeakPolarHBondContact O-CB 3.47Å; I424-V428 WeakPolarHBondContact O-CG2 3.06Å; I424-V428 PolarHBondContact O-N 3.01Å; V428-G432 PolarHBondContact O-N 3.49Å; V428-A528 HydrophobicContact CG1-CB 4.07Å; V428-A529 HydrophobicContact CB-CB 4.27Å; V428-A529 HydrophobicContact CG1-CB 4.01Å; V428-M532 HydrophobicContact CG2-CB 4.22Å; V428-M532 HydrophobicContact CG2-CG 4.08Å
429L79.4Confident80.9Confident3 Ų339.7 Ų39.72%0.01618%0.183CC..Hα-helixtrans-71.7-45.2-174.7-59.1175.8000113.9L407 T410 F411 L414 A425 V431 G432 A433 D525 A529L407-L429 HydrophobicContact CD1-CB 4.29Å; L407-L429 HydrophobicContact CG-CB 4.31Å; T410-L429 HydrophobicContact CG2-CD1 4.27Å; T410-L429 HydrophobicContact CG2-CD2 4.14Å; F411-L429 HydrophobicContact CB-CD1 4.01Å; F411-L429 HydrophobicContact CD2-CD1 3.97Å; F411-L429 HydrophobicContact CG-CD1 4.5Å; L414-L429 HydrophobicContact CD1-CD1 3.62Å; L414-L429 HydrophobicContact CD1-CD2 3.69Å; L414-L429 HydrophobicContact CD1-CG 4.07Å; A425-L429 HydrophobicContact CB-CD1 4.48Å; A425-L429 WeakPolarHBondContact O-CB 3.36Å; A425-L429 WeakPolarHBondContact O-CG 3.44Å; A425-L429 PolarHBondContact O-N 3.33Å; L429-V431 VanDerWaalsContact C-N 3.31Å; L429-V431 PolarHBondContact O-N 3.46Å; L429-G432 PolarHBondContact O-N 3.39Å; L429-A433 WeakPolarHBondContact O-CB 3.36Å; L429-A433 PolarHBondContact O-N 3.03Å; L429-D525 HydrophobicContact CD2-CB 3.96Å; L429-A529 HydrophobicContact CD2-CB 4.36Å
430P71.4Confident80.9Confident58 Ų5832.7 Ų32.738%0.37715%0.151SC..Hα-helixtrans-63.9-37.9176.4-24.437.1000112.7L407 R426L407-P430 HydrophobicContact CD1-CB 4.3Å; L407-P430 HydrophobicContact CD1-CG 4.14Å; R426-P430 VanDerWaalsContact O-CD 3.23Å; R426-P430 WeakPolarHBondContact O-CD 3.21Å; R426-P430 VanDerWaalsContact O-CG 3.28Å; R426-P430 WeakPolarHBondContact O-CG 3.48Å
431V78.1Confident81.1Confident22 Ų2231.7 Ų31.713%0.13315%0.146CC..Hα-helixtrans-67.6-38.6174.9177.20000111.2L80 Y96 F427 L429 T434 I435L80-V431 HydrophobicContact CD2-CG1 4.11Å; Y96-V431 HydrophobicContact CE2-CG1 4.21Å; F427-V431 VanDerWaalsContact O-CG2 3.22Å; F427-V431 WeakPolarHBondContact O-CG2 3.33Å; L429-V431 VanDerWaalsContact C-N 3.31Å; L429-V431 PolarHBondContact O-N 3.46Å; V431-T434 PolarHBondContact O-N 2.98Å; V431-T434 PolarHBondContact O-OG1 3.49Å; V431-I435 HydrophobicContact CG1-CD1 3.76Å; V431-I435 HydrophobicContact CG1-CG1 4.38Å; V431-I435 WeakPolarHBondContact O-CB 3.32Å; V431-I435 PolarHBondContact O-N 3.22Å
432G77.3Confident81.7Confident0 Ų029 Ų290%013%0.131CC..Hα-helixtrans-65-44.617600000112.6Y96 V428 L429 T434 I435 N436 D525Y96-G432 VanDerWaalsContact CE2-CA 3.45Å; Y96-G432 VanDerWaalsContact CZ-CA 3.5Å; Y96-G432 WeakPolarHBondContact OH-CA 3.41Å; V428-G432 PolarHBondContact O-N 3.49Å; L429-G432 PolarHBondContact O-N 3.39Å; G432-T434 PolarHBondContact O-N 2.91Å; G432-I435 PolarHBondContact O-N 3.03Å; G432-N436 WeakPolarHBondContact O-CA 3.38Å; G432-N436 WeakPolarHBondContact O-CB 3.33Å; G432-N436 PolarHBondContact O-N 3.34Å; G432-D525 VanDerWaalsContact C-OD1 3.31Å; G432-D525 VanDerWaalsContact CA-OD1 3.24Å; G432-D525 WeakPolarHBondContact CA-OD1 3.46Å
433A72.6Confident82.4Confident8 Ų823.5 Ų23.57%0.06611%0.111CC..Hα-helixtrans-60.7-17.6179.700000114.1L407 L429 D525L407-A433 HydrophobicContact CD1-CB 4.07Å; L429-A433 WeakPolarHBondContact O-CB 3.36Å; L429-A433 PolarHBondContact O-N 3.03Å; A433-D525 PolarHBondContact N-OD2 2.94Å
434T72.1Confident83.2Confident56 Ų5618.3 Ų18.334%0.3449%0.091SC..Hα-helixtrans-100-47.9173.955.90000112.6V431 G432 A479V431-T434 PolarHBondContact O-N 2.98Å; V431-T434 PolarHBondContact O-OG1 3.49Å; G432-T434 PolarHBondContact O-N 2.91Å; T434-A479 HydrophobicContact CG2-CB 4.02Å
435I79.1Confident83.7Confident7 Ų718.2 Ų18.24%0.0369%0.091CC..Hα-helixtrans-91.3-40-170.9-58.9-177.9000112.6L80 V93 Y96 V431 G432 M437 I476L80-I435 HydrophobicContact CD1-CD1 4.11Å; L80-I435 HydrophobicContact CD2-CD1 4.06Å; V93-I435 HydrophobicContact CG2-CD1 4.43Å; Y96-I435 HydrophobicContact CD2-CB 4.47Å; Y96-I435 HydrophobicContact CD2-CG2 4.48Å; V431-I435 HydrophobicContact CG1-CD1 3.76Å; V431-I435 HydrophobicContact CG1-CG1 4.38Å; V431-I435 WeakPolarHBondContact O-CB 3.32Å; V431-I435 PolarHBondContact O-N 3.22Å; G432-I435 PolarHBondContact O-N 3.03Å; I435-M437 PolarHBondContact O-N 3.36Å; I435-I476 HydrophobicContact CG1-CG2 4.38Å; I435-I476 HydrophobicContact CG2-CG1 4.27Å; I435-I476 HydrophobicContact CG2-CG2 4.39Å
436N85.2Confident84.5Confident1 Ų118.2 Ų18.21%0.0059%0.091CC..  trans-90.584.4-167.5-174.639.5000111.9Y96 T99 G432 D438 D525Y96-N436 HydrophobicContact CD1-CB 3.4Å; Y96-N436 HydrophobicContact CD2-CB 4.01Å; Y96-N436 HydrophobicContact CE1-CB 3.62Å; Y96-N436 WeakPolarHBondContact CE1-ND2 3.23Å; Y96-N436 HydrophobicContact CE2-CB 4.21Å; Y96-N436 HydrophobicContact CG-CB 3.61Å; T99-N436 PolarHBondContact OG1-OD1 3.5Å; G432-N436 WeakPolarHBondContact O-CA 3.38Å; G432-N436 WeakPolarHBondContact O-CB 3.33Å; G432-N436 PolarHBondContact O-N 3.34Å; N436-D438 PolarHBondContact OD1-OD1 3.32Å; N436-D438 VanDerWaalsContact OD1-OD1 3.06Å; N436-D525 VanDerWaalsContact CB-OD1 3.3Å; N436-D525 WeakPolarHBondContact CB-OD1 3.4Å; N436-D525 PolarHBondContact ND2-N 3.4Å; N436-D525 PolarHBondContact ND2-OD1 3.4Å
437M87.2Confident85.5Confident7 Ų711.5 Ų11.53%0.0347%0.065CC..  trans-115.247.5-175.5-70.5-126.4-16900112.9N401 I435 G439 T440 A441 S475 A478 A479N401-M437 WeakPolarHBondContact ND2-CE 3.28Å; I435-M437 PolarHBondContact O-N 3.36Å; M437-G439 VanDerWaalsContact C-N 3.32Å; M437-G439 PolarHBondContact O-N 3.16Å; M437-T440 WeakPolarHBondContact O-CA 3.21Å; M437-T440 WeakPolarHBondContact O-CB 3.48Å; M437-T440 PolarHBondContact O-N 3.18Å; M437-A441 PolarHBondContact O-N 3.02Å; M437-S475 WeakPolarHBondContact CB-O 3.35Å; M437-S475 VanDerWaalsContact CG-O 3.29Å; M437-S475 WeakPolarHBondContact CG-O 3.36Å; M437-A478 HydrophobicContact CE-CB 3.97Å; M437-A478 HydrophobicContact SD-CB 3.6Å; M437-A478 VanDerWaalsContact SD-CB 3.6Å; M437-A479 HydrophobicContact CE-CB 4.48Å
438D92.6Very high86.1Confident0 Ų08.1 Ų8.10%05%0.05CC..Hα-helixtrans-45.5-49.8-179.2-71.5-1.5000114.2T99 T100 A103 H307 N436 T440 A441 L442 I520 N521T99-D438 PolarHBondContact OG1-OD1 2.92Å; T100-D438 WeakPolarHBondContact CA-OD1 3.24Å; T100-D438 WeakPolarHBondContact CB-OD1 3.38Å; T100-D438 PolarHBondContact N-OD1 3.31Å; T100-D438 PolarHBondContact OG1-OD1 3.01Å; A103-D438 HydrophobicContact CB-CB 4Å; H307-D438 IonicContact CD2-OD2 2.8Å; H307-D438 IonicContact CE1-OD2 3.44Å; H307-D438 IonicContact NE2-OD2 3.03Å; H307-D438 PolarHBondContact NE2-OD2 3.45Å; N436-D438 PolarHBondContact OD1-OD1 3.32Å; N436-D438 VanDerWaalsContact OD1-OD1 3.06Å; D438-T440 VanDerWaalsContact C-N 3.29Å; D438-T440 PolarHBondContact O-N 3.1Å; D438-A441 PolarHBondContact O-N 2.96Å; D438-L442 WeakPolarHBondContact O-CB 3.37Å; D438-L442 PolarHBondContact O-N 2.95Å; D438-I520 HydrophobicContact CB-CG2 4.34Å; D438-N521 PolarHBondContact N-OD1 3.34Å
439G90.9Very high86.6Confident0 Ų08.5 Ų8.50%05%0.052CC..Hα-helixtrans-68.9-28.7-178.300000113.1L304 M437 Y443 R517 N521L304-G439 VanDerWaalsContact CD2-CA 3.47Å; M437-G439 VanDerWaalsContact C-N 3.32Å; M437-G439 PolarHBondContact O-N 3.16Å; G439-Y443 VanDerWaalsContact O-CB 3.28Å; G439-Y443 WeakPolarHBondContact O-CB 3.48Å; G439-Y443 PolarHBondContact O-N 3.21Å; G439-R517 WeakPolarHBondContact O-CD 3.09Å; G439-R517 WeakPolarHBondContact O-CG 3.48Å; G439-N521 WeakPolarHBondContact CA-OD1 3.39Å; G439-N521 PolarHBondContact N-OD1 3.44Å
440T89.8Confident87.2Confident7 Ų78.5 Ų8.54%0.0435%0.052CC..Hα-helixtrans-72.2-48174.4-55.50000110.3M437 D438 L442 Y443 E444 A478M437-T440 WeakPolarHBondContact O-CA 3.21Å; M437-T440 WeakPolarHBondContact O-CB 3.48Å; M437-T440 PolarHBondContact O-N 3.18Å; D438-T440 VanDerWaalsContact C-N 3.29Å; D438-T440 PolarHBondContact O-N 3.1Å; T440-L442 PolarHBondContact O-N 3.35Å; T440-Y443 PolarHBondContact O-N 3.47Å; T440-E444 WeakPolarHBondContact CG2-OE1 3.35Å; T440-E444 WeakPolarHBondContact O-CG 3.25Å; T440-E444 PolarHBondContact O-N 3.43Å; T440-A478 HydrophobicContact CG2-CB 4.39Å
441A92.9Very high88.1Confident0 Ų05.9 Ų5.90%04%0.035CC..Hα-helixtrans-63.1-43.5-179.300000112.2T100 V104 M437 D438 Y443 E444 A445T100-A441 HydrophobicContact CG2-CB 3.48Å; T100-A441 VanDerWaalsContact CG2-CB 3.48Å; V104-A441 HydrophobicContact CG2-CB 3.48Å; V104-A441 VanDerWaalsContact CG2-CB 3.48Å; M437-A441 PolarHBondContact O-N 3.02Å; D438-A441 PolarHBondContact O-N 2.96Å; A441-Y443 PolarHBondContact O-N 2.89Å; A441-E444 PolarHBondContact O-N 3.3Å; A441-A445 PolarHBondContact O-N 3.49Å
442L95.7Very high88.6Confident0 Ų04.9 Ų4.90%03%0.029CC..Hα-helixtrans-59.4-47175.4-176.4155.5000111.4A103 V106 G303 L304 H307 D438 T440 A445 V446A103-L442 HydrophobicContact CB-CB 4.22Å; A103-L442 WeakPolarHBondContact O-CD1 3.34Å; A103-L442 WeakPolarHBondContact O-CG 3.36Å; V106-L442 HydrophobicContact CB-CD1 4.47Å; V106-L442 HydrophobicContact CG1-CD1 4.23Å; G303-L442 WeakPolarHBondContact O-CD1 3.27Å; L304-L442 HydrophobicContact CD2-CD1 4.48Å; L304-L442 HydrophobicContact CD2-CD2 4.1Å; L304-L442 HydrophobicContact CG-CD2 4.18Å; H307-L442 HydrophobicContact CB-CD1 4.07Å; D438-L442 WeakPolarHBondContact O-CB 3.37Å; D438-L442 PolarHBondContact O-N 2.95Å; T440-L442 PolarHBondContact O-N 3.35Å; L442-A445 PolarHBondContact O-N 2.87Å; L442-V446 HydrophobicContact CD2-CG2 4.1Å; L442-V446 VanDerWaalsContact O-CG2 3.23Å; L442-V446 WeakPolarHBondContact O-CG2 3.4Å; L442-V446 PolarHBondContact O-N 3.26Å; L442-V446 VanDerWaalsContact O-N 3.08Å
443Y93.6Very high89.1Confident1 Ų16.3 Ų6.30%0.0044%0.036CC..Hα-helixtrans-62.1-42.1178.7160.4-95000112.3Y296 V300 G439 T440 A441 V446 A447 M489 I506 D510 L513 R517Y296-Y443 VanDerWaalsContact OH-CD2 3.32Å; Y296-Y443 WeakPolarHBondContact OH-CD2 3.49Å; Y296-Y443 WeakPolarHBondContact OH-CE2 3.4Å; V300-Y443 HydrophobicContact CG1-CD2 4.12Å; V300-Y443 HydrophobicContact CG2-CD2 4.34Å; G439-Y443 VanDerWaalsContact O-CB 3.28Å; G439-Y443 WeakPolarHBondContact O-CB 3.48Å; G439-Y443 PolarHBondContact O-N 3.21Å; T440-Y443 PolarHBondContact O-N 3.47Å; A441-Y443 PolarHBondContact O-N 2.89Å; Y443-V446 PolarHBondContact O-N 3.39Å; Y443-A447 WeakPolarHBondContact O-CB 3.47Å; Y443-A447 PolarHBondContact O-N 2.64Å; Y443-M489 HydrophobicContact CD1-CE 3.6Å; Y443-M489 HydrophobicContact CE1-CE 3.12Å; Y443-M489 HydrophobicContact CG-CE 4.49Å; Y443-I506 HydrophobicContact CE2-CG2 4.1Å; Y443-I506 WeakPolarHBondContact OH-CG2 3.5Å; Y443-D510 PolarHBondContact OH-OD1 3.28Å; Y443-L513 HydrophobicContact CD2-CD1 4.46Å; Y443-L513 HydrophobicContact CE2-CD1 4.15Å; Y443-R517 VanDerWaalsContact CB-CD 3.45Å
444E92.6Very high89.7Confident0 Ų07 Ų70%04%0.039CC..Hα-helixtrans-60.5-47.1176.9-78.3169.9-168.300112.4T440 A441 A447 A448 A471 T488 M489 V492T440-E444 WeakPolarHBondContact CG2-OE1 3.35Å; T440-E444 WeakPolarHBondContact O-CG 3.25Å; T440-E444 PolarHBondContact O-N 3.43Å; A441-E444 PolarHBondContact O-N 3.3Å; E444-A447 PolarHBondContact O-N 2.73Å; E444-A448 WeakPolarHBondContact O-CB 3.37Å; E444-A448 PolarHBondContact O-N 3.19Å; E444-A471 HydrophobicContact CB-CB 3.97Å; E444-T488 WeakPolarHBondContact OE1-CB 3.44Å; E444-T488 PolarHBondContact OE1-OG1 2.89Å; E444-M489 HydrophobicContact CB-CE 4.32Å; E444-M489 HydrophobicContact CB-SD 4.47Å; E444-M489 HydrophobicContact CG-CE 3.93Å; E444-M489 HydrophobicContact CG-SD 4.36Å; E444-V492 HydrophobicContact CB-CG2 4.16Å; E444-V492 HydrophobicContact CG-CG2 4.44Å
445A94.6Very high90.1Very high0 Ų06.9 Ų6.90%04%0.036CC..Hα-helixtrans-62.7-45.4177.800000112.1V104 I108 A441 L442 A448 I449 I467 A471V104-A445 HydrophobicContact CG1-CB 4.01Å; I108-A445 HydrophobicContact CG1-CB 4.05Å; A441-A445 PolarHBondContact O-N 3.49Å; L442-A445 PolarHBondContact O-N 2.87Å; A445-A448 PolarHBondContact O-N 3.15Å; A445-I449 WeakPolarHBondContact O-CG1 3.22Å; A445-I449 PolarHBondContact O-N 2.97Å; A445-I467 HydrophobicContact CB-CG2 4.18Å; A445-A471 HydrophobicContact CB-CB 4.5Å
446V95.6Very high90.2Very high0 Ų011.3 Ų11.30%06%0.06CC..Hα-helixtrans-64.4-42.4179.3172.90000111.2G107 V111 Y296 T299 V300 L442 Y443 F450G107-V446 VanDerWaalsContact CA-CG2 3.48Å; G107-V446 VanDerWaalsContact O-CG2 3.3Å; G107-V446 WeakPolarHBondContact O-CG2 3.23Å; V111-V446 HydrophobicContact CB-CB 4.47Å; V111-V446 HydrophobicContact CB-CG1 4.08Å; V111-V446 HydrophobicContact CB-CG2 4.38Å; V111-V446 HydrophobicContact CG2-CG1 4.15Å; Y296-V446 HydrophobicContact CD2-CG1 4.11Å; Y296-V446 HydrophobicContact CE2-CG1 3.92Å; T299-V446 HydrophobicContact CG2-CG1 3.78Å; V300-V446 HydrophobicContact CG2-CB 4.15Å; V300-V446 HydrophobicContact CG2-CG1 3.6Å; L442-V446 HydrophobicContact CD2-CG2 4.1Å; L442-V446 VanDerWaalsContact O-CG2 3.23Å; L442-V446 WeakPolarHBondContact O-CG2 3.4Å; L442-V446 PolarHBondContact O-N 3.26Å; L442-V446 VanDerWaalsContact O-N 3.08Å; Y443-V446 PolarHBondContact O-N 3.39Å; V446-F450 WeakPolarHBondContact O-CB 3.3Å; V446-F450 PolarHBondContact O-N 3.21Å
447A92.6Very high90Very high0 Ų015.4 Ų15.40%08%0.076CC..Hα-helixtrans-67.2-42.317900000113Y296 Y443 E444 I449 F450 I451 M489 I506Y296-A447 HydrophobicContact CE2-CB 4.01Å; Y443-A447 WeakPolarHBondContact O-CB 3.47Å; Y443-A447 PolarHBondContact O-N 2.64Å; E444-A447 PolarHBondContact O-N 2.73Å; A447-I449 PolarHBondContact O-N 3.33Å; A447-F450 PolarHBondContact O-N 3.18Å; A447-I451 WeakPolarHBondContact O-CG1 3.31Å; A447-I451 PolarHBondContact O-N 3.05Å; A447-M489 HydrophobicContact CB-CE 3.18Å; A447-M489 HydrophobicContact CB-SD 3.45Å; A447-M489 WeakPolarHBondContact CB-SD 3.49Å; A447-I506 HydrophobicContact CB-CD1 3.7Å
448A92Very high89.6Confident0 Ų023.3 Ų23.30%011%0.113CC..Hα-helixtrans-60.7-46.5178.100000111.3E444 A445 I451 A452 I467 V492 L493E444-A448 WeakPolarHBondContact O-CB 3.37Å; E444-A448 PolarHBondContact O-N 3.19Å; A445-A448 PolarHBondContact O-N 3.15Å; A448-I451 PolarHBondContact O-N 3.43Å; A448-A452 PolarHBondContact O-N 2.98Å; A448-I467 HydrophobicContact CB-CD1 4.12Å; A448-I467 HydrophobicContact CB-CG1 4.28Å; A448-I467 HydrophobicContact CB-CG2 4.04Å; A448-V492 HydrophobicContact CB-CG1 3.85Å; A448-L493 HydrophobicContact CB-CD2 4.1Å
449I93Very high88.9Confident8 Ų825 Ų254%0.04112%0.122CC..Hα-helixtrans-68.6-39177.4-63.5168.6000110.9I108 V111 A445 A447 I451 A452 Q453 L459 I467I108-I449 HydrophobicContact CB-CD1 4.2Å; I108-I449 HydrophobicContact CG1-CD1 3.85Å; I108-I449 HydrophobicContact CG2-CD1 4Å; V111-I449 HydrophobicContact CB-CG2 4.46Å; V111-I449 HydrophobicContact CG1-CB 3.76Å; V111-I449 HydrophobicContact CG1-CD1 3.57Å; V111-I449 HydrophobicContact CG1-CG1 4.25Å; V111-I449 HydrophobicContact CG1-CG2 3.69Å; V111-I449 HydrophobicContact CG2-CB 4.13Å; V111-I449 HydrophobicContact CG2-CG2 3.9Å; A445-I449 WeakPolarHBondContact O-CG1 3.22Å; A445-I449 PolarHBondContact O-N 2.97Å; A447-I449 PolarHBondContact O-N 3.33Å; I449-I451 PolarHBondContact O-N 3.11Å; I449-A452 WeakPolarHBondContact O-CB 3.36Å; I449-A452 PolarHBondContact O-N 3.1Å; I449-Q453 HydrophobicContact CG2-CG 4.33Å; I449-Q453 VanDerWaalsContact O-CG 3.28Å; I449-Q453 WeakPolarHBondContact O-CG 3.19Å; I449-Q453 PolarHBondContact O-N 3.32Å; I449-L459 HydrophobicContact CB-CD1 4.33Å; I449-L459 HydrophobicContact CG1-CD1 3.89Å; I449-L459 HydrophobicContact CG2-CD1 4.34Å; I449-I467 HydrophobicContact CG1-CD1 4.19Å
450F92.9Very high88.4Confident4 Ų426.5 Ų26.52%0.01813%0.13CC..Hα-helixtrans-59.9-45.2174.9169.2-112.1000112.3P116 K292 L293 Y296 V446 A447 A452 Q453 V454 I506P116-F450 HydrophobicContact CB-CD2 3.98Å; P116-F450 HydrophobicContact CB-CE2 4.26Å; P116-F450 HydrophobicContact CG-CD2 3.86Å; K292-F450 HydrophobicContact CB-CE2 4.1Å; K292-F450 HydrophobicContact CB-CZ 4.26Å; L293-F450 HydrophobicContact CD1-CE1 4.36Å; Y296-F450 HydrophobicContact CD2-CB 3.7Å; Y296-F450 AromaticContact CD2-CD1 3.57Å; Y296-F450 HydrophobicContact CD2-CD1 3.57Å; Y296-F450 HydrophobicContact CD2-CD2 4.19Å; Y296-F450 HydrophobicContact CD2-CE1 4.21Å; Y296-F450 AromaticContact CD2-CG 3.54Å; Y296-F450 HydrophobicContact CD2-CG 3.54Å; Y296-F450 HydrophobicContact CE2-CB 4.22Å; Y296-F450 HydrophobicContact CE2-CD1 4.13Å; Y296-F450 HydrophobicContact CE2-CG 4.33Å; Y296-F450 AromaticContact CG-CD1 3.81Å; Y296-F450 HydrophobicContact CG-CD1 3.81Å; Y296-F450 HydrophobicContact CG-CD2 4.35Å; Y296-F450 AromaticContact CG-CE1 3.97Å; Y296-F450 HydrophobicContact CG-CE1 3.97Å; Y296-F450 HydrophobicContact CG-CE2 4.47Å; Y296-F450 HydrophobicContact CG-CG 4Å; Y296-F450 HydrophobicContact CG-CZ 4.28Å; V446-F450 WeakPolarHBondContact O-CB 3.3Å; V446-F450 PolarHBondContact O-N 3.21Å; A447-F450 PolarHBondContact O-N 3.18Å; F450-A452 VanDerWaalsContact C-N 3.32Å; F450-A452 PolarHBondContact O-N 2.87Å; F450-Q453 PolarHBondContact O-N 3.42Å; F450-V454 HydrophobicContact CD1-CG2 4.45Å; F450-V454 HydrophobicContact CD2-CG2 3.9Å; F450-V454 HydrophobicContact CE1-CG2 4.04Å; F450-V454 HydrophobicContact CE2-CG2 3.45Å; F450-V454 VanDerWaalsContact CE2-CG2 3.45Å; F450-V454 HydrophobicContact CG-CG2 4.4Å; F450-V454 HydrophobicContact CZ-CG2 3.53Å; F450-V454 VanDerWaalsContact O-CG2 3.31Å; F450-V454 WeakPolarHBondContact O-CG2 3.44Å; F450-V454 PolarHBondContact O-N 3.49Å; F450-I506 HydrophobicContact CD1-CD1 4.21Å; F450-I506 HydrophobicContact CD1-CG1 4.44Å; F450-I506 HydrophobicContact CE1-CG1 4.4Å
451I89.3Confident88Confident2 Ų232.6 Ų32.61%0.0116%0.156CC..Hα-helixtrans-62.6-41.4176.7-73168.1000110.6A447 A448 I449 Q453 V454 N455 L493 D502 I503 I506A447-I451 WeakPolarHBondContact O-CG1 3.31Å; A447-I451 PolarHBondContact O-N 3.05Å; A448-I451 PolarHBondContact O-N 3.43Å; I449-I451 PolarHBondContact O-N 3.11Å; I451-Q453 VanDerWaalsContact C-N 3.35Å; I451-Q453 PolarHBondContact O-N 3.15Å; I451-V454 PolarHBondContact O-N 3.3Å; I451-N455 PolarHBondContact O-N 3.15Å; I451-N455 VanDerWaalsContact O-N 3.17Å; I451-N455 PolarHBondContact O-ND2 2.85Å; I451-L493 HydrophobicContact CB-CD2 4.24Å; I451-L493 HydrophobicContact CD1-CD1 3.65Å; I451-L493 HydrophobicContact CD1-CD2 3.93Å; I451-L493 HydrophobicContact CD1-CG 4.41Å; I451-L493 HydrophobicContact CG2-CD2 4.19Å; I451-D502 HydrophobicContact CD1-CB 4.48Å; I451-D502 HydrophobicContact CG1-CB 4.26Å; I451-D502 HydrophobicContact CG2-CB 4Å; I451-I503 HydrophobicContact CD1-CG1 4.43Å; I451-I506 HydrophobicContact CD1-CD1 3.68Å; I451-I506 HydrophobicContact CG1-CD1 3.97Å
452A88.3Confident87.2Confident1 Ų132.7 Ų32.71%0.00816%0.157CC..Hα-helixtrans-59.1-46.7173.900000111.6A448 I449 F450 V454 N455 N456 Y457 L459 L498A448-A452 PolarHBondContact O-N 2.98Å; I449-A452 WeakPolarHBondContact O-CB 3.36Å; I449-A452 PolarHBondContact O-N 3.1Å; F450-A452 VanDerWaalsContact C-N 3.32Å; F450-A452 PolarHBondContact O-N 2.87Å; A452-V454 PolarHBondContact O-N 3.12Å; A452-N455 CarbonylContact O-C 3.43Å; A452-N455 PolarHBondContact O-N 3.13Å; A452-N456 PolarHBondContact O-N 2.89Å; A452-N456 VanDerWaalsContact O-N 3.13Å; A452-Y457 PolarHBondContact O-N 2.98Å; A452-L459 HydrophobicContact CB-CD1 3.6Å; A452-L459 HydrophobicContact CB-CD2 3.88Å; A452-L459 HydrophobicContact CB-CG 3.66Å; A452-L498 HydrophobicContact CB-CD1 4Å; A452-L498 HydrophobicContact CB-CD2 4.12Å
453Q89.5Confident86.5Confident31 Ų3134.7 Ų34.715%0.14517%0.166CC..Hα-helixtrans-63.1-40.7177.9-70.5174.2-3.700112.7H115 I449 F450 I451 N455 N456H115-Q453 PolarHBondContact CD2-NE2 2.98Å; I449-Q453 HydrophobicContact CG2-CG 4.33Å; I449-Q453 VanDerWaalsContact O-CG 3.28Å; I449-Q453 WeakPolarHBondContact O-CG 3.19Å; I449-Q453 PolarHBondContact O-N 3.32Å; F450-Q453 PolarHBondContact O-N 3.42Å; I451-Q453 VanDerWaalsContact C-N 3.35Å; I451-Q453 PolarHBondContact O-N 3.15Å; Q453-N455 VanDerWaalsContact C-N 3.26Å; Q453-N455 PolarHBondContact O-N 2.98Å; Q453-N456 PolarHBondContact O-N 3.1Å
454V83.8Confident86.3Confident22 Ų2237 Ų3713%0.13318%0.178CC..Hα-helixtrans-64.4-34.6179.7169.60000111.7K292 F450 I451 A452K292-V454 HydrophobicContact CD-CG2 4.16Å; F450-V454 HydrophobicContact CD1-CG2 4.45Å; F450-V454 HydrophobicContact CD2-CG2 3.9Å; F450-V454 HydrophobicContact CE1-CG2 4.04Å; F450-V454 HydrophobicContact CE2-CG2 3.45Å; F450-V454 VanDerWaalsContact CE2-CG2 3.45Å; F450-V454 HydrophobicContact CG-CG2 4.4Å; F450-V454 HydrophobicContact CZ-CG2 3.53Å; F450-V454 VanDerWaalsContact O-CG2 3.31Å; F450-V454 WeakPolarHBondContact O-CG2 3.44Å; F450-V454 PolarHBondContact O-N 3.49Å; I451-V454 PolarHBondContact O-N 3.3Å; A452-V454 PolarHBondContact O-N 3.12Å
455N81.6Confident86Confident53 Ų5339.3 Ų39.328%0.28319%0.19SC..THydrogen-bonded Turntrans-92.66.5179.5-72.9-70.7000114.2I451 A452 Q453 Y457 D502I451-N455 PolarHBondContact O-N 3.15Å; I451-N455 VanDerWaalsContact O-N 3.17Å; I451-N455 PolarHBondContact O-ND2 2.85Å; A452-N455 CarbonylContact O-C 3.43Å; A452-N455 PolarHBondContact O-N 3.13Å; Q453-N455 VanDerWaalsContact C-N 3.26Å; Q453-N455 PolarHBondContact O-N 2.98Å; N455-Y457 HydrophobicContact CB-CD2 3.39Å; N455-Y457 HydrophobicContact CB-CE2 3.44Å; N455-Y457 VanDerWaalsContact CB-CE2 3.44Å; N455-Y457 HydrophobicContact CB-CG 4.48Å; N455-Y457 PolarHBondContact O-N 3.26Å; N455-D502 PolarHBondContact ND2-OD2 2.62Å; N455-D502 PolarHBondContact OD1-OD2 3.44Å
456N81.4Confident85.4Confident100 Ų10040 Ų4054%0.53519%0.194SC..THydrogen-bonded Turntrans54.536.6-176.5-53.7-55.5000113.2Q121 A452 Q453Q121-N456 PolarHBondContact OE1-OD1 3.07Å; A452-N456 PolarHBondContact O-N 2.89Å; A452-N456 VanDerWaalsContact O-N 3.13Å; Q453-N456 PolarHBondContact O-N 3.1Å
457Y80.1Confident85.1Confident87 Ų8740 Ų4034%0.34119%0.194SC..PPolyproline II helixtrans-82.9121.5166.2-70.2-71.5000109.2K130 A452 N455 L459 L498 P499K130-Y457 VanDerWaalsContact NZ-CE1 3.3Å; A452-Y457 PolarHBondContact O-N 2.98Å; N455-Y457 HydrophobicContact CB-CD2 3.39Å; N455-Y457 HydrophobicContact CB-CE2 3.44Å; N455-Y457 VanDerWaalsContact CB-CE2 3.44Å; N455-Y457 HydrophobicContact CB-CG 4.48Å; N455-Y457 PolarHBondContact O-N 3.26Å; Y457-L459 PolarHBondContact O-N 3.35Å; Y457-L498 HydrophobicContact CD2-CD2 3.57Å; Y457-L498 HydrophobicContact CE2-CD2 4.11Å; Y457-L498 HydrophobicContact CG-CD2 3.92Å; Y457-P499 HydrophobicContact CE2-CG 4.05Å
458E78.2Confident85.1Confident173 Ų17340.3 Ų40.381%0.80820%0.196SC*.PPolyproline II helixtrans-75118.9165.7-64.6-171.9166.500108.4
459L79.4Confident84.8Confident36 Ų3643.6 Ų43.619%0.18821%0.213CC..PPolyproline II helixtrans-87.6122.9175.9-67.9175.5000109.2I449 A452 Y457 Q463 I464 I467 L498I449-L459 HydrophobicContact CB-CD1 4.33Å; I449-L459 HydrophobicContact CG1-CD1 3.89Å; I449-L459 HydrophobicContact CG2-CD1 4.34Å; A452-L459 HydrophobicContact CB-CD1 3.6Å; A452-L459 HydrophobicContact CB-CD2 3.88Å; A452-L459 HydrophobicContact CB-CG 3.66Å; Y457-L459 PolarHBondContact O-N 3.35Å; L459-Q463 HydrophobicContact CD2-CB 4.23Å; L459-I464 HydrophobicContact CB-CG1 4.2Å; L459-I467 HydrophobicContact CD1-CD1 3.91Å; L459-I467 HydrophobicContact CD2-CD1 4.5Å; L459-L498 HydrophobicContact CD2-CD1 4.49Å
460D79.6Confident84.4Confident32 Ų3243.5 Ų43.517%0.17121%0.213CC..PPolyproline II helixtrans-72.4158.9171.2178.256.7000111.4S135 A138 G462 Q463 I464S135-D460 VanDerWaalsContact CA-OD2 3.24Å; S135-D460 WeakPolarHBondContact CA-OD2 3.38Å; S135-D460 WeakPolarHBondContact CB-OD1 3.36Å; S135-D460 PolarHBondContact OG-OD1 3.34Å; A138-D460 WeakPolarHBondContact CB-OD2 3.47Å; D460-G462 PolarHBondContact O-N 2.94Å; D460-G462 PolarHBondContact OD2-N 2.63Å; D460-Q463 WeakPolarHBondContact O-CB 3.07Å; D460-Q463 PolarHBondContact O-N 3.47Å; D460-I464 PolarHBondContact O-N 3.17Å
461F82.1Confident84.2Confident135 Ų13543.3 Ų43.359%0.59221%0.212SC*.Hα-helixtrans-53-40.3176-177.2-106.6000112.6Q463 I464 I465F461-Q463 VanDerWaalsContact C-N 3.33Å; F461-Q463 PolarHBondContact O-N 3.11Å; F461-I464 PolarHBondContact O-N 2.87Å; F461-I465 HydrophobicContact CD1-CD1 3.83Å; F461-I465 HydrophobicContact CE1-CD1 3.3Å; F461-I465 HydrophobicContact CE1-CG1 4.26Å; F461-I465 HydrophobicContact CE2-CD1 4.47Å; F461-I465 HydrophobicContact CZ-CD1 3.68Å; F461-I465 HydrophobicContact CZ-CG1 4.31Å; F461-I465 PolarHBondContact O-N 2.89Å; F461-I465 VanDerWaalsContact O-N 3.1Å
462G76.1Confident84.2Confident1 Ų144 Ų441%0.0122%0.217CC..Hα-helixtrans-60.6-42.1175.700000112.2D460 I464 I465 T466D460-G462 PolarHBondContact O-N 2.94Å; D460-G462 PolarHBondContact OD2-N 2.63Å; G462-I464 PolarHBondContact O-N 3.38Å; G462-I465 PolarHBondContact O-N 2.93Å; G462-T466 PolarHBondContact O-N 3.31Å; G462-T466 PolarHBondContact O-OG1 3.35Å
463Q81.3Confident83.9Confident43 Ų4345 Ų4520%0.20122%0.224CC..Hα-helixtrans-68.3-35178.8-64.1175.9-62.500112.4L459 D460 F461 I465 T466 I467 V496L459-Q463 HydrophobicContact CD2-CB 4.23Å; D460-Q463 WeakPolarHBondContact O-CB 3.07Å; D460-Q463 PolarHBondContact O-N 3.47Å; F461-Q463 VanDerWaalsContact C-N 3.33Å; F461-Q463 PolarHBondContact O-N 3.11Å; Q463-I465 VanDerWaalsContact C-N 3.35Å; Q463-T466 WeakPolarHBondContact O-CB 3.41Å; Q463-T466 PolarHBondContact O-N 2.88Å; Q463-I467 WeakPolarHBondContact O-CG1 3.38Å; Q463-I467 PolarHBondContact O-N 3.49Å; Q463-V496 HydrophobicContact CB-CG1 4.16Å
464I88.4Confident83.4Confident49 Ų4943.7 Ų43.725%0.25122%0.219SC..Hα-helixtrans-64.1-42.1174.2-63.9172.4000110.5I108 L459 D460 F461 G462 I467 S468I108-I464 HydrophobicContact CD1-CG2 4.14Å; I108-I464 HydrophobicContact CG2-CG2 3.99Å; L459-I464 HydrophobicContact CB-CG1 4.2Å; D460-I464 PolarHBondContact O-N 3.17Å; F461-I464 PolarHBondContact O-N 2.87Å; G462-I464 PolarHBondContact O-N 3.38Å; I464-I467 PolarHBondContact O-N 3.27Å; I464-S468 WeakPolarHBondContact O-CB 3.38Å; I464-S468 PolarHBondContact O-N 2.92Å
465I86.8Confident83.3Confident49 Ų4942.6 Ų42.625%0.25121%0.212SC..Hα-helixtrans-63-44.4173.7-67.2173.9000110.4L142 F461 G462 Q463 I467 S468 I469L142-I465 HydrophobicContact CD2-CB 4.3Å; L142-I465 HydrophobicContact CD2-CG2 3.67Å; F461-I465 HydrophobicContact CD1-CD1 3.83Å; F461-I465 HydrophobicContact CE1-CD1 3.3Å; F461-I465 HydrophobicContact CE1-CG1 4.26Å; F461-I465 HydrophobicContact CE2-CD1 4.47Å; F461-I465 HydrophobicContact CZ-CD1 3.68Å; F461-I465 HydrophobicContact CZ-CG1 4.31Å; F461-I465 PolarHBondContact O-N 2.89Å; F461-I465 VanDerWaalsContact O-N 3.1Å; G462-I465 PolarHBondContact O-N 2.93Å; Q463-I465 VanDerWaalsContact C-N 3.35Å; I465-I467 PolarHBondContact O-N 2.82Å; I465-S468 WeakPolarHBondContact O-CB 3.42Å; I465-S468 PolarHBondContact O-N 3.08Å; I465-S468 VanDerWaalsContact O-N 3.1Å; I465-I469 HydrophobicContact CG2-CD1 3.73Å; I465-I469 HydrophobicContact CG2-CG1 4.33Å; I465-I469 WeakPolarHBondContact O-CG1 3.48Å; I465-I469 PolarHBondContact O-N 2.94Å
466T81.8Confident83.3Confident13 Ų1341.3 Ų41.38%0.0821%0.205CC..Hα-helixtrans-55.1-51.8175.7-52.50000110.8L142 G462 Q463 S468 I469 T470 V496L142-T466 HydrophobicContact CD1-CG2 3.95Å; L142-T466 WeakPolarHBondContact CD1-OG1 3.39Å; G462-T466 PolarHBondContact O-N 3.31Å; G462-T466 PolarHBondContact O-OG1 3.35Å; Q463-T466 WeakPolarHBondContact O-CB 3.41Å; Q463-T466 PolarHBondContact O-N 2.88Å; T466-S468 PolarHBondContact O-N 3.35Å; T466-I469 PolarHBondContact O-N 3.38Å; T466-T470 HydrophobicContact CG2-CG2 4.06Å; T466-T470 WeakPolarHBondContact O-CB 3.44Å; T466-T470 VanDerWaalsContact O-CG2 3.26Å; T466-T470 WeakPolarHBondContact O-CG2 3.33Å; T466-T470 PolarHBondContact O-N 3.47Å; T466-T470 PolarHBondContact O-OG1 3.43Å; T466-V496 HydrophobicContact CG2-CG1 3.78Å
467I89.8Confident82.5Confident0 Ų036.9 Ų36.90%018%0.183CC..Hα-helixtrans-55.8-42.4176.8-70.3164.8000110.6A445 A448 I449 L459 Q463 I464 I465 T470 A471 V492 V496A445-I467 HydrophobicContact CB-CG2 4.18Å; A448-I467 HydrophobicContact CB-CD1 4.12Å; A448-I467 HydrophobicContact CB-CG1 4.28Å; A448-I467 HydrophobicContact CB-CG2 4.04Å; I449-I467 HydrophobicContact CG1-CD1 4.19Å; L459-I467 HydrophobicContact CD1-CD1 3.91Å; L459-I467 HydrophobicContact CD2-CD1 4.5Å; Q463-I467 WeakPolarHBondContact O-CG1 3.38Å; Q463-I467 PolarHBondContact O-N 3.49Å; I464-I467 PolarHBondContact O-N 3.27Å; I465-I467 PolarHBondContact O-N 2.82Å; I467-T470 PolarHBondContact O-OG1 2.72Å; I467-A471 WeakPolarHBondContact O-CB 3.44Å; I467-A471 PolarHBondContact O-N 3.03Å; I467-V492 HydrophobicContact CB-CG1 4.49Å; I467-V492 HydrophobicContact CG1-CG1 4.43Å; I467-V492 HydrophobicContact CG2-CG1 4.02Å; I467-V496 HydrophobicContact CD1-CG1 4.26Å; I467-V496 HydrophobicContact CD1-CG2 4.33Å; I467-V496 HydrophobicContact CG1-CG1 3.66Å; I467-V496 HydrophobicContact CG1-CG2 4.12Å
468S91.7Very high81.8Confident7 Ų732.7 Ų32.75%0.04917%0.166CC..Hα-helixtrans-63.4-48.5-177.9-176.40000112.6V104 I464 I465 T466 T472V104-S468 WeakPolarHBondContact CG1-OG 3.33Å; I464-S468 WeakPolarHBondContact O-CB 3.38Å; I464-S468 PolarHBondContact O-N 2.92Å; I465-S468 WeakPolarHBondContact O-CB 3.42Å; I465-S468 PolarHBondContact O-N 3.08Å; I465-S468 VanDerWaalsContact O-N 3.1Å; T466-S468 PolarHBondContact O-N 3.35Å; S468-T472 WeakPolarHBondContact O-CB 3.45Å; S468-T472 PolarHBondContact O-N 3.48Å; S468-T472 VanDerWaalsContact O-N 3.15Å; S468-T472 PolarHBondContact O-OG1 3.15Å
469I86.3Confident80.8Confident70 Ų7025.2 Ų25.236%0.35913%0.134SC..Hα-helixtrans-68.7-44.8179.9-64.6172.7000110.4L142 L223 I465 T466 T472 A473L142-I469 HydrophobicContact CD2-CD1 4.49Å; L223-I469 HydrophobicContact CD1-CG2 4.09Å; I465-I469 HydrophobicContact CG2-CD1 3.73Å; I465-I469 HydrophobicContact CG2-CG1 4.33Å; I465-I469 WeakPolarHBondContact O-CG1 3.48Å; I465-I469 PolarHBondContact O-N 2.94Å; T466-I469 PolarHBondContact O-N 3.38Å; I469-T472 PolarHBondContact O-N 3.03Å; I469-A473 WeakPolarHBondContact O-CB 3.29Å; I469-A473 PolarHBondContact O-N 2.94Å
470T83.3Confident79.4Confident5 Ų523.8 Ų23.83%0.03113%0.128CC..Hα-helixtrans-70.4-38-176.7600000111.9L223 T466 I467 A473 A474 S495L223-T470 HydrophobicContact CB-CG2 4.11Å; L223-T470 HydrophobicContact CD1-CG2 3.7Å; L223-T470 HydrophobicContact CG-CG2 4.4Å; T466-T470 HydrophobicContact CG2-CG2 4.06Å; T466-T470 WeakPolarHBondContact O-CB 3.44Å; T466-T470 VanDerWaalsContact O-CG2 3.26Å; T466-T470 WeakPolarHBondContact O-CG2 3.33Å; T466-T470 PolarHBondContact O-N 3.47Å; T466-T470 PolarHBondContact O-OG1 3.43Å; I467-T470 PolarHBondContact O-OG1 2.72Å; T470-A473 PolarHBondContact O-N 2.88Å; T470-A474 WeakPolarHBondContact O-CB 3.38Å; T470-A474 PolarHBondContact O-N 3.27Å; T470-S495 WeakPolarHBondContact CG2-OG 3.17Å; T470-S495 PolarHBondContact OG1-OG 3.26Å; T470-S495 VanDerWaalsContact OG1-OG 3.11Å
471A89.9Confident78.2Confident0 Ų022.4 Ų22.40%012%0.121CC..Hα-helixtrans-63.7-42.9172.900000111.8V104 E444 A445 I467 A473 S475 V492V104-A471 HydrophobicContact CG2-CB 4.26Å; E444-A471 HydrophobicContact CB-CB 3.97Å; A445-A471 HydrophobicContact CB-CB 4.5Å; I467-A471 WeakPolarHBondContact O-CB 3.44Å; I467-A471 PolarHBondContact O-N 3.03Å; A471-A473 PolarHBondContact O-N 2.68Å; A471-S475 VanDerWaalsContact O-CB 3.3Å; A471-S475 WeakPolarHBondContact O-CB 3.39Å; A471-S475 PolarHBondContact O-N 3.47Å; A471-V492 HydrophobicContact CB-CG2 4.07Å
472T88.8Confident76.6Confident18 Ų1818 Ų1811%0.1111%0.105CC..Hα-helixtrans-59.1-48.7176-57.20000110.6T100 S468 I469 S475T100-T472 HydrophobicContact CG2-CG2 4.02Å; S468-T472 WeakPolarHBondContact O-CB 3.45Å; S468-T472 PolarHBondContact O-N 3.48Å; S468-T472 VanDerWaalsContact O-N 3.15Å; S468-T472 PolarHBondContact O-OG1 3.15Å; I469-T472 PolarHBondContact O-N 3.03Å; T472-S475 PolarHBondContact O-OG 3.44Å
473A81.1Confident75.7Confident21 Ų2119.7 Ų19.717%0.17411%0.113CC..Hα-helixtrans-75.4-36.3-176.700000113.6V226 I469 T470 A471 S475 I476V226-A473 HydrophobicContact CG1-CB 3.42Å; V226-A473 VanDerWaalsContact CG1-CB 3.42Å; I469-A473 WeakPolarHBondContact O-CB 3.29Å; I469-A473 PolarHBondContact O-N 2.94Å; T470-A473 PolarHBondContact O-N 2.88Å; A471-A473 PolarHBondContact O-N 2.68Å; A473-S475 VanDerWaalsContact C-N 3.27Å; A473-S475 PolarHBondContact O-N 2.95Å; A473-I476 PolarHBondContact O-N 2.87Å
474A79.7Confident74.7Confident3 Ų318 Ų183%0.02511%0.107CC..Hα-helixtrans-63.9-34.4175.100000111.6T470 I476 G477 A478 I491 V492T470-A474 WeakPolarHBondContact O-CB 3.38Å; T470-A474 PolarHBondContact O-N 3.27Å; A474-I476 VanDerWaalsContact C-N 3.26Å; A474-I476 PolarHBondContact O-N 2.89Å; A474-G477 CarbonylContact O-C 3.57Å; A474-G477 PolarHBondContact O-N 3.32Å; A474-G477 VanDerWaalsContact O-N 3.1Å; A474-A478 PolarHBondContact O-N 3.01Å; A474-A478 VanDerWaalsContact O-N 3.12Å; A474-I491 HydrophobicContact CB-CB 4.36Å; A474-I491 HydrophobicContact CB-CD1 4.4Å; A474-I491 HydrophobicContact CB-CG2 3.97Å; A474-V492 HydrophobicContact CB-CG2 4.21Å
475S83Confident73.5Confident0 Ų015.8 Ų15.80%010%0.096CC..Hα-helixtrans-62.9-29.8176.880.70000113.5T100 M437 A471 T472 A473 A478T100-S475 WeakPolarHBondContact CG2-OG 3.46Å; M437-S475 WeakPolarHBondContact CB-O 3.35Å; M437-S475 VanDerWaalsContact CG-O 3.29Å; M437-S475 WeakPolarHBondContact CG-O 3.36Å; A471-S475 VanDerWaalsContact O-CB 3.3Å; A471-S475 WeakPolarHBondContact O-CB 3.39Å; A471-S475 PolarHBondContact O-N 3.47Å; T472-S475 PolarHBondContact O-OG 3.44Å; A473-S475 VanDerWaalsContact C-N 3.27Å; A473-S475 PolarHBondContact O-N 2.95Å; S475-A478 VanDerWaalsContact O-CB 3.25Å; S475-A478 WeakPolarHBondContact O-CB 3.26Å; S475-A478 PolarHBondContact O-N 2.86Å
476I79.9Confident72.7Confident26 Ų2613.7 Ų13.713%0.1339%0.085CC..Hα-helixtrans-70.1-39.7174.1-56.2171.5000110.3L73 L97 I435 A473 A474 A478L73-I476 HydrophobicContact CD2-CB 4.02Å; L73-I476 HydrophobicContact CD2-CG2 3.84Å; L97-I476 HydrophobicContact CD2-CD1 3.75Å; I435-I476 HydrophobicContact CG1-CG2 4.38Å; I435-I476 HydrophobicContact CG2-CG1 4.27Å; I435-I476 HydrophobicContact CG2-CG2 4.39Å; A473-I476 PolarHBondContact O-N 2.87Å; A474-I476 VanDerWaalsContact C-N 3.26Å; A474-I476 PolarHBondContact O-N 2.89Å; I476-A478 PolarHBondContact O-N 2.72Å
477G65Low72.1Confident6 Ų613.4 Ų13.46%0.0628%0.083CC..Hα-helixtrans-73.4-7.9176.800000114.2A474 A479 I481A474-G477 CarbonylContact O-C 3.57Å; A474-G477 PolarHBondContact O-N 3.32Å; A474-G477 VanDerWaalsContact O-N 3.1Å; G477-A479 PolarHBondContact O-N 3.11Å; G477-I481 WeakPolarHBondContact O-CD1 3.49Å
478A65.3Low71.6Confident0 Ų013.5 Ų13.50%08%0.084CC..THydrogen-bonded Turntrans-71.6-9.1177.700000113.3N401 M437 T440 A474 S475 I476 G480 I481 A484 T488N401-A478 PolarHBondContact ND2-O 2.91Å; M437-A478 HydrophobicContact CE-CB 3.97Å; M437-A478 HydrophobicContact SD-CB 3.6Å; M437-A478 VanDerWaalsContact SD-CB 3.6Å; T440-A478 HydrophobicContact CG2-CB 4.39Å; A474-A478 PolarHBondContact O-N 3.01Å; A474-A478 VanDerWaalsContact O-N 3.12Å; S475-A478 VanDerWaalsContact O-CB 3.25Å; S475-A478 WeakPolarHBondContact O-CB 3.26Å; S475-A478 PolarHBondContact O-N 2.86Å; I476-A478 PolarHBondContact O-N 2.72Å; A478-G480 PolarHBondContact O-N 2.73Å; A478-I481 PolarHBondContact O-N 2.78Å; A478-A484 HydrophobicContact CB-CB 3.74Å; A478-A484 WeakPolarHBondContact O-CB 3.42Å; A478-T488 HydrophobicContact CB-CG2 3.93Å
479A57.7Low71.2Confident15 Ų1513.2 Ų13.212%0.1248%0.082CC..THydrogen-bonded Turntrans-59.9130.6179.800000112.6N401 T434 M437 G477 I481N401-A479 VanDerWaalsContact ND2-CA 3.35Å; N401-A479 WeakPolarHBondContact ND2-CA 3.47Å; T434-A479 HydrophobicContact CG2-CB 4.02Å; M437-A479 HydrophobicContact CE-CB 4.48Å; G477-A479 PolarHBondContact O-N 3.11Å; A479-I481 PolarHBondContact O-N 3.17Å
480G49.6Very low70.8Confident7 Ų710 Ų107%0.0727%0.065CC..THydrogen-bonded Turntrans86.2-21.4179.900000116.6M258 N401 A478 P482M258-G480 VanDerWaalsContact CE-C 3.48Å; M258-G480 WeakPolarHBondContact CE-O 3.27Å; N401-G480 VanDerWaalsContact CG-CA 3.43Å; N401-G480 PolarHBondContact ND2-N 3.4Å; N401-G480 WeakPolarHBondContact OD1-CA 3.5Å; N401-G480 PolarHBondContact OD1-N 3.34Å; N401-G480 PolarHBondContact OD1-O 3.07Å; A478-G480 PolarHBondContact O-N 2.73Å; G480-P482 WeakPolarHBondContact O-CD 3.34Å
481I54.9Low70.4Confident3 Ų310 Ų102%0.0157%0.065CC..  trans-83116.7-170.2-43.4168.4000113.3L68 M258 V261 N401 G477 A478 A479 Q483 A484 V487L68-I481 HydrophobicContact CD1-CD1 4.33Å; L68-I481 HydrophobicContact CD1-CG1 4.21Å; L68-I481 HydrophobicContact CD2-CD1 3.21Å; L68-I481 HydrophobicContact CD2-CG1 3.7Å; L68-I481 HydrophobicContact CG-CD1 3.84Å; L68-I481 HydrophobicContact CG-CG1 4.27Å; M258-I481 HydrophobicContact SD-CG1 4.08Å; V261-I481 HydrophobicContact CG1-CG2 4.21Å; N401-I481 PolarHBondContact OD1-N 2.79Å; N401-I481 PolarHBondContact OD1-O 2.84Å; N401-I481 VanDerWaalsContact OD1-O 3.12Å; G477-I481 WeakPolarHBondContact O-CD1 3.49Å; A478-I481 PolarHBondContact O-N 2.78Å; A479-I481 PolarHBondContact O-N 3.17Å; I481-Q483 PolarHBondContact O-N 3.32Å; I481-A484 HydrophobicContact CB-CB 3.7Å; I481-A484 HydrophobicContact CD1-CB 4.43Å; I481-A484 HydrophobicContact CG2-CB 4.28Å; I481-A484 WeakPolarHBondContact O-CB 3.2Å; I481-A484 PolarHBondContact O-N 3.48Å; I481-V487 HydrophobicContact CG2-CG2 4.34Å
482P48.5Very low70.2Confident41 Ų4110 Ų1027%0.2667%0.065SC..THydrogen-bonded Turntrans-59.3125.9165.6-17.426.4000109.8V265 G480 A484V265-P482 HydrophobicContact CG2-CB 4.28Å; G480-P482 WeakPolarHBondContact O-CD 3.34Å; P482-A484 PolarHBondContact O-N 3.4Å
483Q57.2Low69.9Low37 Ų379.2 Ų9.217%0.1736%0.06CC..THydrogen-bonded Turntrans62.130.6-175.8-151.2162-3.300114.1F268 I481 G485 L486F268-Q483 VanDerWaalsContact CE1-NE2 3.31Å; F268-Q483 VanDerWaalsContact CZ-CD 3.45Å; I481-Q483 PolarHBondContact O-N 3.32Å; Q483-G485 PolarHBondContact O-N 3.27Å; Q483-L486 HydrophobicContact CG-CD1 3.82Å; Q483-L486 HydrophobicContact CG-CG 4.03Å; Q483-L486 PolarHBondContact O-N 2.89Å
484A59.6Low69.5Low9 Ų99.7 Ų9.77%0.0746%0.061CC..Hα-helixtrans-39.2-46.6176.300000113.3A478 I481 P482 L486 V487 T488A478-A484 HydrophobicContact CB-CB 3.74Å; A478-A484 WeakPolarHBondContact O-CB 3.42Å; I481-A484 HydrophobicContact CB-CB 3.7Å; I481-A484 HydrophobicContact CD1-CB 4.43Å; I481-A484 HydrophobicContact CG2-CB 4.28Å; I481-A484 WeakPolarHBondContact O-CB 3.2Å; I481-A484 PolarHBondContact O-N 3.48Å; P482-A484 PolarHBondContact O-N 3.4Å; A484-L486 PolarHBondContact O-N 2.88Å; A484-V487 PolarHBondContact O-N 3.27Å; A484-T488 PolarHBondContact O-N 3.37Å; A484-T488 PolarHBondContact O-OG1 2.89Å
485G64Low69.2Low1 Ų110.3 Ų10.31%0.017%0.065CC..Hα-helixtrans-53.7-26.3-176.200000115.8Q483 T488 M489Q483-G485 PolarHBondContact O-N 3.27Å; G485-T488 WeakPolarHBondContact CA-OG1 3.44Å; G485-M489 VanDerWaalsContact O-CB 3.27Å; G485-M489 WeakPolarHBondContact O-CB 3.41Å; G485-M489 PolarHBondContact O-N 3.48Å
486L68.7Low68.8Low5 Ų511 Ų113%0.0267%0.069CC..Hα-helixtrans-83-38.7174.9-65.9-177.5000112.1F268 Q483 A484 M489 V490 I503 I507F268-L486 HydrophobicContact CE2-CD1 3.9Å; F268-L486 HydrophobicContact CZ-CD1 3.72Å; Q483-L486 HydrophobicContact CG-CD1 3.82Å; Q483-L486 HydrophobicContact CG-CG 4.03Å; Q483-L486 PolarHBondContact O-N 2.89Å; A484-L486 PolarHBondContact O-N 2.88Å; L486-M489 WeakPolarHBondContact O-CB 3.38Å; L486-M489 PolarHBondContact O-N 3.46Å; L486-V490 PolarHBondContact O-N 3.13Å; L486-I503 HydrophobicContact CD2-CG2 3.94Å; L486-I507 HydrophobicContact CD1-CD1 4Å; L486-I507 HydrophobicContact CD1-CG1 3.72Å; L486-I507 HydrophobicContact CD1-CG2 4.45Å; L486-I507 HydrophobicContact CD2-CG1 3.83Å; L486-I507 HydrophobicContact CG-CG1 4.45Å
487V69.5Low68.3Low8 Ų811.4 Ų11.45%0.0488%0.08CC..Hα-helixtrans-68.1-43.4178.3-178.80000110L61 I65 L68 I481 A484 V490L61-V487 HydrophobicContact CD2-CG2 4.14Å; I65-V487 HydrophobicContact CG1-CG1 3.91Å; L68-V487 HydrophobicContact CD2-CG1 4.44Å; I481-V487 HydrophobicContact CG2-CG2 4.34Å; A484-V487 PolarHBondContact O-N 3.27Å; V487-V490 WeakPolarHBondContact O-CB 3.21Å; V487-V490 PolarHBondContact O-N 3.3Å
488T80Confident68.9Low2 Ų211.7 Ų11.71%0.0128%0.081CC..Hα-helixtrans-74.1-25.3177.654.50000112.6E444 A478 A484 G485 V490 I491 V492E444-T488 WeakPolarHBondContact OE1-CB 3.44Å; E444-T488 PolarHBondContact OE1-OG1 2.89Å; A478-T488 HydrophobicContact CB-CG2 3.93Å; A484-T488 PolarHBondContact O-N 3.37Å; A484-T488 PolarHBondContact O-OG1 2.89Å; G485-T488 WeakPolarHBondContact CA-OG1 3.44Å; T488-V490 VanDerWaalsContact C-N 3.33Å; T488-V490 PolarHBondContact O-N 3.48Å; T488-I491 HydrophobicContact CG2-CD1 4.34Å; T488-I491 VanDerWaalsContact O-CB 3.29Å; T488-I491 WeakPolarHBondContact O-CB 3.33Å; T488-I491 PolarHBondContact O-N 3.4Å; T488-V492 PolarHBondContact O-N 2.7Å
489M84.2Confident69.5Low0 Ų013.5 Ų13.50%09%0.092CC..Hα-helixtrans-60.5-41.7168.2-168.264.762.800112.7Y443 E444 A447 G485 L486 I491 V492 L493 I503Y443-M489 HydrophobicContact CD1-CE 3.6Å; Y443-M489 HydrophobicContact CE1-CE 3.12Å; Y443-M489 HydrophobicContact CG-CE 4.49Å; E444-M489 HydrophobicContact CB-CE 4.32Å; E444-M489 HydrophobicContact CB-SD 4.47Å; E444-M489 HydrophobicContact CG-CE 3.93Å; E444-M489 HydrophobicContact CG-SD 4.36Å; A447-M489 HydrophobicContact CB-CE 3.18Å; A447-M489 HydrophobicContact CB-SD 3.45Å; A447-M489 WeakPolarHBondContact CB-SD 3.49Å; G485-M489 VanDerWaalsContact O-CB 3.27Å; G485-M489 WeakPolarHBondContact O-CB 3.41Å; G485-M489 PolarHBondContact O-N 3.48Å; L486-M489 WeakPolarHBondContact O-CB 3.38Å; L486-M489 PolarHBondContact O-N 3.46Å; M489-I491 PolarHBondContact O-N 3.41Å; M489-V492 PolarHBondContact O-N 2.91Å; M489-L493 HydrophobicContact CG-CD1 3.84Å; M489-L493 HydrophobicContact CG-CG 4.26Å; M489-L493 WeakPolarHBondContact O-CG 3.47Å; M489-L493 PolarHBondContact O-N 2.94Å; M489-I503 HydrophobicContact CG-CD1 4.35Å; M489-I503 HydrophobicContact CG-CG1 4.2Å
490V77.1Confident70.4Confident3 Ų313.3 Ų13.32%0.0189%0.089CC..Hα-helixtrans-59.4-39.5177.9177.70000110K62 I65 L486 V487 T488 L493 T494 T500 I503K62-V490 HydrophobicContact CG-CG1 4.14Å; I65-V490 HydrophobicContact CD1-CB 3.69Å; I65-V490 HydrophobicContact CD1-CG1 3.36Å; L486-V490 PolarHBondContact O-N 3.13Å; V487-V490 WeakPolarHBondContact O-CB 3.21Å; V487-V490 PolarHBondContact O-N 3.3Å; T488-V490 VanDerWaalsContact C-N 3.33Å; T488-V490 PolarHBondContact O-N 3.48Å; V490-L493 PolarHBondContact O-N 3.44Å; V490-T494 HydrophobicContact CG1-CG2 3.96Å; V490-T494 WeakPolarHBondContact O-CB 3.46Å; V490-T494 WeakPolarHBondContact O-CG2 3.4Å; V490-T494 PolarHBondContact O-N 3.5Å; V490-T494 PolarHBondContact O-OG1 3.44Å; V490-T500 HydrophobicContact CG1-CG2 3.95Å; V490-I503 HydrophobicContact CB-CD1 4.29Å; V490-I503 HydrophobicContact CG2-CD1 3.37Å
491I75.6Confident71.5Confident6 Ų616.9 Ų16.93%0.03111%0.107CC..Hα-helixtrans-57.1-51.4175.3-63173000110.8I65 V69 V222 A474 T488 M489 T494 S495I65-I491 HydrophobicContact CG2-CD1 3.92Å; I65-I491 HydrophobicContact CG2-CG1 3.54Å; V69-I491 HydrophobicContact CG2-CD1 3.43Å; V69-I491 VanDerWaalsContact CG2-CD1 3.43Å; V69-I491 HydrophobicContact CG2-CG1 4.43Å; V222-I491 HydrophobicContact CB-CG2 3.87Å; V222-I491 HydrophobicContact CG1-CB 4.09Å; V222-I491 HydrophobicContact CG1-CD1 4.48Å; V222-I491 HydrophobicContact CG1-CG1 4.03Å; V222-I491 HydrophobicContact CG1-CG2 3.31Å; V222-I491 HydrophobicContact CG2-CG2 4.4Å; A474-I491 HydrophobicContact CB-CB 4.36Å; A474-I491 HydrophobicContact CB-CD1 4.4Å; A474-I491 HydrophobicContact CB-CG2 3.97Å; T488-I491 HydrophobicContact CG2-CD1 4.34Å; T488-I491 VanDerWaalsContact O-CB 3.29Å; T488-I491 WeakPolarHBondContact O-CB 3.33Å; T488-I491 PolarHBondContact O-N 3.4Å; M489-I491 PolarHBondContact O-N 3.41Å; I491-T494 PolarHBondContact O-OG1 2.94Å; I491-S495 WeakPolarHBondContact O-CB 3.48Å; I491-S495 PolarHBondContact O-N 3.28Å; I491-S495 VanDerWaalsContact O-N 3.08Å
492V85.6Confident72.6Confident0 Ų017.8 Ų17.80%011%0.112CC..Hα-helixtrans-64.6-45.3-177.8179.30000111.1E444 A448 I467 A471 A474 T488 M489 S495E444-V492 HydrophobicContact CB-CG2 4.16Å; E444-V492 HydrophobicContact CG-CG2 4.44Å; A448-V492 HydrophobicContact CB-CG1 3.85Å; I467-V492 HydrophobicContact CB-CG1 4.49Å; I467-V492 HydrophobicContact CG1-CG1 4.43Å; I467-V492 HydrophobicContact CG2-CG1 4.02Å; A471-V492 HydrophobicContact CB-CG2 4.07Å; A474-V492 HydrophobicContact CB-CG2 4.21Å; T488-V492 PolarHBondContact O-N 2.7Å; M489-V492 PolarHBondContact O-N 2.91Å; V492-S495 PolarHBondContact O-N 3.29Å; V492-S495 PolarHBondContact O-OG 3.1Å
493L82.7Confident74Confident0 Ų016 Ų160%010%0.1CC..Hα-helixtrans-65.2-44.5-179.9-70.4170.6000113A448 I451 M489 V490 S495 V496 G497 L498 T500 I503A448-L493 HydrophobicContact CB-CD2 4.1Å; I451-L493 HydrophobicContact CB-CD2 4.24Å; I451-L493 HydrophobicContact CD1-CD1 3.65Å; I451-L493 HydrophobicContact CD1-CD2 3.93Å; I451-L493 HydrophobicContact CD1-CG 4.41Å; I451-L493 HydrophobicContact CG2-CD2 4.19Å; M489-L493 HydrophobicContact CG-CD1 3.84Å; M489-L493 HydrophobicContact CG-CG 4.26Å; M489-L493 WeakPolarHBondContact O-CG 3.47Å; M489-L493 PolarHBondContact O-N 2.94Å; V490-L493 PolarHBondContact O-N 3.44Å; L493-S495 VanDerWaalsContact C-N 3.28Å; L493-S495 PolarHBondContact O-N 3.11Å; L493-V496 WeakPolarHBondContact O-CG2 3.4Å; L493-V496 PolarHBondContact O-N 2.79Å; L493-G497 PolarHBondContact O-N 3.01Å; L493-G497 VanDerWaalsContact O-N 3.14Å; L493-L498 HydrophobicContact CB-CB 4.33Å; L493-L498 HydrophobicContact CD2-CB 3.83Å; L493-L498 HydrophobicContact CD2-CD1 3.79Å; L493-L498 HydrophobicContact CD2-CG 4.49Å; L493-L498 PolarHBondContact O-N 3.28Å; L493-T500 HydrophobicContact CB-CG2 4.5Å; L493-I503 HydrophobicContact CD1-CD1 3.62Å; L493-I503 HydrophobicContact CD1-CG1 3.35Å
494T72.4Confident74.8Confident32 Ų3214.4 Ų14.420%0.1969%0.093CC..Hα-helixtrans-63.8-34.7178.1520000111.8Q158 V222 V490 I491 V496 G497 T500Q158-T494 PolarHBondContact OE1-O 2.75Å; V222-T494 WeakPolarHBondContact CG2-OG1 3.45Å; V490-T494 HydrophobicContact CG1-CG2 3.96Å; V490-T494 WeakPolarHBondContact O-CB 3.46Å; V490-T494 WeakPolarHBondContact O-CG2 3.4Å; V490-T494 PolarHBondContact O-N 3.5Å; V490-T494 PolarHBondContact O-OG1 3.44Å; I491-T494 PolarHBondContact O-OG1 2.94Å; T494-V496 PolarHBondContact O-N 3.14Å; T494-G497 PolarHBondContact O-N 3.4Å; T494-T500 HydrophobicContact CG2-CG2 3.81Å
495S72.4Confident75.6Confident15 Ų1515.3 Ų15.311%0.10510%0.096CC..Hα-helixtrans-62.1-24.5178.477.50000114.8T470 I491 V492 L493T470-S495 WeakPolarHBondContact CG2-OG 3.17Å; T470-S495 PolarHBondContact OG1-OG 3.26Å; T470-S495 VanDerWaalsContact OG1-OG 3.11Å; I491-S495 WeakPolarHBondContact O-CB 3.48Å; I491-S495 PolarHBondContact O-N 3.28Å; I491-S495 VanDerWaalsContact O-N 3.08Å; V492-S495 PolarHBondContact O-N 3.29Å; V492-S495 PolarHBondContact O-OG 3.1Å; L493-S495 VanDerWaalsContact C-N 3.28Å; L493-S495 PolarHBondContact O-N 3.11Å
496V74.9Confident76.4Confident14 Ų1415.2 Ų15.29%0.08510%0.096CC..THydrogen-bonded Turntrans-107.53.2174.5-71.10000113.3Q463 T466 I467 L493 T494 L498Q463-V496 HydrophobicContact CB-CG1 4.16Å; T466-V496 HydrophobicContact CG2-CG1 3.78Å; I467-V496 HydrophobicContact CD1-CG1 4.26Å; I467-V496 HydrophobicContact CD1-CG2 4.33Å; I467-V496 HydrophobicContact CG1-CG1 3.66Å; I467-V496 HydrophobicContact CG1-CG2 4.12Å; L493-V496 WeakPolarHBondContact O-CG2 3.4Å; L493-V496 PolarHBondContact O-N 2.79Å; T494-V496 PolarHBondContact O-N 3.14Å; V496-L498 VanDerWaalsContact C-N 3.35Å; V496-L498 HydrophobicContact CG2-CB 4.24Å; V496-L498 HydrophobicContact CG2-CD1 3.61Å; V496-L498 HydrophobicContact CG2-CG 3.7Å
497G69.9Low76.7Confident36 Ų3615.4 Ų15.437%0.37110%0.096SC..THydrogen-bonded Turntrans69.728.2-179.800000114.2L493 T494L493-G497 PolarHBondContact O-N 3.01Å; L493-G497 VanDerWaalsContact O-N 3.14Å; T494-G497 PolarHBondContact O-N 3.4Å
498L78.2Confident76.8Confident12 Ų1216 Ų166%0.06310%0.103CC..  trans-82.6149.1174-72.1173.7000111.2A452 Y457 L459 L493 V496 T500A452-L498 HydrophobicContact CB-CD1 4Å; A452-L498 HydrophobicContact CB-CD2 4.12Å; Y457-L498 HydrophobicContact CD2-CD2 3.57Å; Y457-L498 HydrophobicContact CE2-CD2 4.11Å; Y457-L498 HydrophobicContact CG-CD2 3.92Å; L459-L498 HydrophobicContact CD2-CD1 4.49Å; L493-L498 HydrophobicContact CB-CB 4.33Å; L493-L498 HydrophobicContact CD2-CB 3.83Å; L493-L498 HydrophobicContact CD2-CD1 3.79Å; L493-L498 HydrophobicContact CD2-CG 4.49Å; L493-L498 PolarHBondContact O-N 3.28Å; V496-L498 VanDerWaalsContact C-N 3.35Å; V496-L498 HydrophobicContact CG2-CB 4.24Å; V496-L498 HydrophobicContact CG2-CD1 3.61Å; V496-L498 HydrophobicContact CG2-CG 3.7Å; L498-T500 PolarHBondContact O-N 3.2Å
499P76.8Confident76.7Confident37 Ų3717.3 Ų17.324%0.2411%0.11CC..  trans-63.8132.7177.826.5-34000111.1Y457 D501Y457-P499 HydrophobicContact CE2-CG 4.05Å; P499-D501 VanDerWaalsContact C-N 3.32Å
500T76.1Confident76.6Confident11 Ų1117.4 Ų17.47%0.06711%0.111CC..SBendtrans-83.9-11.3179.6570000113.2K62 V490 L493 T494 L498 D502 I503K62-T500 WeakPolarHBondContact CE-OG1 3.3Å; K62-T500 PolarHBondContact NZ-OG1 2.81Å; V490-T500 HydrophobicContact CG1-CG2 3.95Å; L493-T500 HydrophobicContact CB-CG2 4.5Å; T494-T500 HydrophobicContact CG2-CG2 3.81Å; L498-T500 PolarHBondContact O-N 3.2Å; T500-D502 PolarHBondContact O-N 2.69Å; T500-I503 WeakPolarHBondContact O-CB 3.45Å; T500-I503 WeakPolarHBondContact O-CD1 3.44Å; T500-I503 WeakPolarHBondContact O-CG1 3.38Å; T500-I503 PolarHBondContact O-N 3.04Å
501D72.9Confident76.3Confident82 Ų8222.2 Ų22.244%0.43913%0.129SC..THydrogen-bonded Turntrans-72.7-22.5-171.5-56.6-23.4000111.2K279 P499 I503 T504K279-D501 WeakPolarHBondContact CE-O 3.39Å; P499-D501 VanDerWaalsContact C-N 3.32Å; D501-I503 VanDerWaalsContact C-N 3.29Å; D501-I503 PolarHBondContact O-N 3.15Å; D501-T504 WeakPolarHBondContact O-CB 3.19Å; D501-T504 WeakPolarHBondContact O-CG2 3.13Å; D501-T504 PolarHBondContact O-N 3.43Å; D501-T504 PolarHBondContact O-OG1 3.09Å
502D77.8Confident76.4Confident23 Ų2323.3 Ų23.312%0.12314%0.139CC..THydrogen-bonded Turntrans-80-7.5177.6-58.6-41000113.8I451 N455 T500 T504 L505I451-D502 HydrophobicContact CD1-CB 4.48Å; I451-D502 HydrophobicContact CG1-CB 4.26Å; I451-D502 HydrophobicContact CG2-CB 4Å; N455-D502 PolarHBondContact ND2-OD2 2.62Å; N455-D502 PolarHBondContact OD1-OD2 3.44Å; T500-D502 PolarHBondContact O-N 2.69Å; D502-T504 PolarHBondContact O-N 3.46Å; D502-L505 HydrophobicContact CB-CD1 4.25Å; D502-L505 WeakPolarHBondContact O-CB 3.46Å; D502-L505 PolarHBondContact O-N 3.23Å; D502-L505 VanDerWaalsContact O-N 3.09Å
503I78.8Confident76.3Confident3 Ų323.6 Ų23.62%0.01514%0.14CC..Hα-helixtrans-55.2-34.8169.8-64.4171.8000109.9M58 I451 L486 M489 V490 L493 T500 D501 L505 I506 I507M58-I503 HydrophobicContact CE-CB 4.41Å; M58-I503 HydrophobicContact CE-CD1 4.25Å; I451-I503 HydrophobicContact CD1-CG1 4.43Å; L486-I503 HydrophobicContact CD2-CG2 3.94Å; M489-I503 HydrophobicContact CG-CD1 4.35Å; M489-I503 HydrophobicContact CG-CG1 4.2Å; V490-I503 HydrophobicContact CB-CD1 4.29Å; V490-I503 HydrophobicContact CG2-CD1 3.37Å; L493-I503 HydrophobicContact CD1-CD1 3.62Å; L493-I503 HydrophobicContact CD1-CG1 3.35Å; T500-I503 WeakPolarHBondContact O-CB 3.45Å; T500-I503 WeakPolarHBondContact O-CD1 3.44Å; T500-I503 WeakPolarHBondContact O-CG1 3.38Å; T500-I503 PolarHBondContact O-N 3.04Å; D501-I503 VanDerWaalsContact C-N 3.29Å; D501-I503 PolarHBondContact O-N 3.15Å; I503-L505 PolarHBondContact O-N 3.31Å; I503-I506 WeakPolarHBondContact O-CA 3.34Å; I503-I506 WeakPolarHBondContact O-CB 3.42Å; I503-I506 PolarHBondContact O-N 3.49Å; I503-I507 HydrophobicContact CG2-CD1 4.41Å; I503-I507 HydrophobicContact CG2-CG1 4.25Å; I503-I507 WeakPolarHBondContact O-CG1 3.38Å; I503-I507 PolarHBondContact O-N 3Å; I503-I507 VanDerWaalsContact O-N 3.1Å
504T73.4Confident76.3Confident4 Ų423.8 Ų23.83%0.02514%0.141CC..Hα-helixtrans-52.6-35.9177.757.10000113.6L275 K279 D501 D502 I506 I507L275-T504 HydrophobicContact CB-CG2 4.04Å; L275-T504 HydrophobicContact CD1-CG2 4.1Å; L275-T504 HydrophobicContact CD2-CG2 3.8Å; L275-T504 HydrophobicContact CG-CG2 4.18Å; K279-T504 WeakPolarHBondContact CD-OG1 3.28Å; K279-T504 HydrophobicContact CG-CG2 4.4Å; K279-T504 VanDerWaalsContact CG-OG1 3.29Å; K279-T504 WeakPolarHBondContact CG-OG1 3.34Å; D501-T504 WeakPolarHBondContact O-CB 3.19Å; D501-T504 WeakPolarHBondContact O-CG2 3.13Å; D501-T504 PolarHBondContact O-N 3.43Å; D501-T504 PolarHBondContact O-OG1 3.09Å; D502-T504 PolarHBondContact O-N 3.46Å; T504-I506 VanDerWaalsContact C-N 3.27Å; T504-I506 PolarHBondContact O-N 3.16Å; T504-I507 PolarHBondContact O-N 3.06Å
505L75.9Confident76.6Confident27 Ų2726.1 Ų26.114%0.14115%0.146CC..Hα-helixtrans-63.8-37.1176.5-60.2174.3000111.1M283 V289 L293 D502 I503M283-L505 HydrophobicContact CE-CD2 4.17Å; M283-L505 HydrophobicContact SD-CD2 3.86Å; V289-L505 HydrophobicContact CG1-CD1 4.46Å; V289-L505 HydrophobicContact CG1-CD2 4.29Å; L293-L505 WeakPolarHBondContact CD1-O 3.46Å; L293-L505 WeakPolarHBondContact CD2-O 3.43Å; D502-L505 HydrophobicContact CB-CD1 4.25Å; D502-L505 WeakPolarHBondContact O-CB 3.46Å; D502-L505 PolarHBondContact O-N 3.23Å; D502-L505 VanDerWaalsContact O-N 3.09Å; I503-L505 PolarHBondContact O-N 3.31Å
506I81.8Confident77.4Confident0 Ų028.7 Ų28.70%016%0.156CC..Hα-helixtrans-78.4-31.5-177.9-57.4-178.3000111.4Y296 Y443 A447 F450 I451 I503 T504 A508 V509 D510Y296-I506 HydrophobicContact CE1-CG1 4.37Å; Y296-I506 HydrophobicContact CE1-CG2 3.76Å; Y296-I506 HydrophobicContact CE2-CD1 4.48Å; Y296-I506 WeakPolarHBondContact OH-CG2 3.49Å; Y443-I506 HydrophobicContact CE2-CG2 4.1Å; Y443-I506 WeakPolarHBondContact OH-CG2 3.5Å; A447-I506 HydrophobicContact CB-CD1 3.7Å; F450-I506 HydrophobicContact CD1-CD1 4.21Å; F450-I506 HydrophobicContact CD1-CG1 4.44Å; F450-I506 HydrophobicContact CE1-CG1 4.4Å; I451-I506 HydrophobicContact CD1-CD1 3.68Å; I451-I506 HydrophobicContact CG1-CD1 3.97Å; I503-I506 WeakPolarHBondContact O-CA 3.34Å; I503-I506 WeakPolarHBondContact O-CB 3.42Å; I503-I506 PolarHBondContact O-N 3.49Å; T504-I506 VanDerWaalsContact C-N 3.27Å; T504-I506 PolarHBondContact O-N 3.16Å; I506-A508 PolarHBondContact O-N 2.68Å; I506-A508 VanDerWaalsContact O-N 3.1Å; I506-V509 VanDerWaalsContact O-CG2 3.26Å; I506-V509 WeakPolarHBondContact O-CG2 3.38Å; I506-V509 PolarHBondContact O-N 2.81Å; I506-D510 PolarHBondContact O-N 3.37Å
507I75.8Confident78Confident8 Ų828.2 Ų28.24%0.04115%0.153CC..Hα-helixtrans-53.9-36-179.6-64.2179.3000111.9F268 I272 L486 I503 T504 V509 D510F268-I507 HydrophobicContact CZ-CG2 4Å; I272-I507 HydrophobicContact CD1-CG2 4.16Å; I272-I507 HydrophobicContact CG1-CG2 4.1Å; L486-I507 HydrophobicContact CD1-CD1 4Å; L486-I507 HydrophobicContact CD1-CG1 3.72Å; L486-I507 HydrophobicContact CD1-CG2 4.45Å; L486-I507 HydrophobicContact CD2-CG1 3.83Å; L486-I507 HydrophobicContact CG-CG1 4.45Å; I503-I507 HydrophobicContact CG2-CD1 4.41Å; I503-I507 HydrophobicContact CG2-CG1 4.25Å; I503-I507 WeakPolarHBondContact O-CG1 3.38Å; I503-I507 PolarHBondContact O-N 3Å; I503-I507 VanDerWaalsContact O-N 3.1Å; T504-I507 PolarHBondContact O-N 3.06Å; I507-V509 PolarHBondContact O-N 2.93Å; I507-D510 PolarHBondContact O-N 2.81Å
508A71.6Confident78.7Confident22 Ų2226.8 Ų26.818%0.18214%0.137CC..Hα-helixtrans-61.3-29.5-179.600000113.7V27 I276 I506 W511V27-A508 HydrophobicContact CG1-CB 4.24Å; I276-A508 HydrophobicContact CD1-CB 4.16Å; I506-A508 PolarHBondContact O-N 2.68Å; I506-A508 VanDerWaalsContact O-N 3.1Å; A508-W511 PolarHBondContact O-NE1 3.42Å; A508-W511 VanDerWaalsContact O-NE1 3.13Å
509V78.1Confident79.1Confident29 Ų2928.2 Ų28.218%0.17614%0.144CC..Hα-helixtrans-107.8-17.5-179.4-64.40000113.4L293 Y296 I506 I507 W511 A512 L513L293-V509 HydrophobicContact CD1-CG1 4.47Å; L293-V509 HydrophobicContact CD1-CG2 3.81Å; L293-V509 HydrophobicContact CD2-CG1 3.76Å; L293-V509 HydrophobicContact CD2-CG2 4.47Å; L293-V509 HydrophobicContact CG-CG1 3.87Å; L293-V509 HydrophobicContact CG-CG2 4.13Å; Y296-V509 HydrophobicContact CD1-CG2 4.2Å; Y296-V509 HydrophobicContact CE1-CG2 4Å; I506-V509 VanDerWaalsContact O-CG2 3.26Å; I506-V509 WeakPolarHBondContact O-CG2 3.38Å; I506-V509 PolarHBondContact O-N 2.81Å; I507-V509 PolarHBondContact O-N 2.93Å; V509-W511 PolarHBondContact O-N 3.08Å; V509-A512 PolarHBondContact O-N 3.25Å; V509-L513 HydrophobicContact CG2-CD1 4.04Å; V509-L513 PolarHBondContact O-N 3.37Å
510D80.1Confident79.9Confident1 Ų126.6 Ų26.61%0.00513%0.133CC..Hα-helixtrans-56.6-35.1-176.8177.753.3000112.8Y443 I506 I507 A512 L513 D514 R517Y443-D510 PolarHBondContact OH-OD1 3.28Å; I506-D510 PolarHBondContact O-N 3.37Å; I507-D510 PolarHBondContact O-N 2.81Å; D510-A512 PolarHBondContact O-N 3.35Å; D510-A512 VanDerWaalsContact O-N 3.1Å; D510-L513 PolarHBondContact O-N 3.42Å; D510-D514 WeakPolarHBondContact O-CB 3.4Å; D510-D514 PolarHBondContact O-N 3.03Å; D510-R517 IonicContact OD1-CZ 3.55Å; D510-R517 IonicContact OD1-NE 3.32Å; D510-R517 IonicContact OD1-NH2 3.55Å; D510-R517 PolarHBondContact OD1-NH2 3.12Å; D510-R517 IonicContact OD2-NH2 3.81Å
511W72Confident80.6Confident104 Ų10426.3 Ų26.339%0.39413%0.131SC..Hα-helixtrans-57.6-30.217972.7-90.5000113.5V24 A508 V509V24-W511 HydrophobicContact CG2-CD2 4.47Å; A508-W511 PolarHBondContact O-NE1 3.42Å; A508-W511 VanDerWaalsContact O-NE1 3.13Å; V509-W511 PolarHBondContact O-N 3.08Å
512A76.8Confident81.3Confident30 Ų3022.5 Ų22.525%0.24811%0.111CC..Hα-helixtrans-85.5-46.417700000110.9V509 D510 D514 R515V509-A512 PolarHBondContact O-N 3.25Å; D510-A512 PolarHBondContact O-N 3.35Å; D510-A512 VanDerWaalsContact O-N 3.1Å; A512-D514 VanDerWaalsContact C-N 3.28Å; A512-D514 PolarHBondContact O-N 2.82Å; A512-R515 WeakPolarHBondContact O-CB 3.34Å; A512-R515 PolarHBondContact O-N 3.46Å
513L84.4Confident82.1Confident5 Ų521.6 Ų21.63%0.02611%0.106CC..Hα-helixtrans-61.2-37.6-179.3-62.4178.4000112Y296 V300 V301 Y443 V509 D510 R515 F516 R517Y296-L513 HydrophobicContact CD1-CD1 4.48Å; Y296-L513 HydrophobicContact CE1-CD1 3.67Å; V300-L513 HydrophobicContact CB-CD1 4.34Å; V300-L513 HydrophobicContact CB-CD2 4.21Å; V300-L513 HydrophobicContact CG1-CD1 4.28Å; V300-L513 HydrophobicContact CG1-CD2 4.1Å; V300-L513 HydrophobicContact CG2-CD1 4.38Å; V301-L513 HydrophobicContact CG2-CD2 3.67Å; Y443-L513 HydrophobicContact CD2-CD1 4.46Å; Y443-L513 HydrophobicContact CE2-CD1 4.15Å; V509-L513 HydrophobicContact CG2-CD1 4.04Å; V509-L513 PolarHBondContact O-N 3.37Å; D510-L513 PolarHBondContact O-N 3.42Å; L513-R515 PolarHBondContact O-N 3.01Å; L513-R515 VanDerWaalsContact O-N 3.16Å; L513-F516 PolarHBondContact O-N 3.49Å; L513-F516 VanDerWaalsContact O-N 3.07Å; L513-R517 WeakPolarHBondContact O-CG 3.21Å; L513-R517 PolarHBondContact O-N 2.62Å
514D81.4Confident82.8Confident5 Ų521.5 Ų21.53%0.02711%0.105CC..Hα-helixtrans-55.1-31.7177.9-17883.6000114.9R402 D510 A512 R517 T518R402-D514 WeakPolarHBondContact CD-OD2 3.46Å; R402-D514 IonicContact CZ-OD1 3.05Å; R402-D514 IonicContact CZ-OD2 2.88Å; R402-D514 IonicContact NE-OD1 4Å; R402-D514 IonicContact NE-OD2 3.09Å; R402-D514 PolarHBondContact NE-OD2 2.86Å; R402-D514 IonicContact NH1-OD1 3.19Å; R402-D514 PolarHBondContact NH1-OD1 2.99Å; R402-D514 IonicContact NH1-OD2 2.82Å; R402-D514 PolarHBondContact NH1-OD2 3.06Å; R402-D514 VanDerWaalsContact NH2-CG 3.34Å; R402-D514 IonicContact NH2-OD1 3.52Å; R402-D514 PolarHBondContact NH2-OD1 3.34Å; R402-D514 IonicContact NH2-OD2 3.8Å; D510-D514 WeakPolarHBondContact O-CB 3.4Å; D510-D514 PolarHBondContact O-N 3.03Å; A512-D514 VanDerWaalsContact C-N 3.28Å; A512-D514 PolarHBondContact O-N 2.82Å; D514-R517 PolarHBondContact O-N 2.94Å; D514-R517 IonicContact OD1-CZ 3.78Å; D514-R517 IonicContact OD1-NE 3.96Å; D514-R517 IonicContact OD1-NH2 2.83Å; D514-R517 PolarHBondContact OD1-NH2 2.81Å; D514-T518 PolarHBondContact O-N 3.48Å; D514-T518 PolarHBondContact O-OG1 3.25Å
515R80.3Confident83.7Confident80 Ų8021.7 Ų21.730%0.30211%0.106SC..Hα-helixtrans-65-43.8177.4-63.4175.1178.8176.6-0.1111.3L339 S342 A512 L513 M519L339-R515 HydrophobicContact CD1-CB 4.03Å; S342-R515 WeakPolarHBondContact OG-CG 3.39Å; A512-R515 WeakPolarHBondContact O-CB 3.34Å; A512-R515 PolarHBondContact O-N 3.46Å; L513-R515 PolarHBondContact O-N 3.01Å; L513-R515 VanDerWaalsContact O-N 3.16Å; R515-M519 WeakPolarHBondContact O-CB 3.11Å; R515-M519 PolarHBondContact O-N 3.43Å; R515-M519 VanDerWaalsContact O-N 3.12Å
516F87.8Confident84.5Confident70 Ų7020.4 Ų20.431%0.30710%0.1SC..Hα-helixtrans-68.5-41.6176.8-62.6-77.2000110.6V301 L304 L339 L513 T518 M519 I520V301-F516 HydrophobicContact CG2-CD2 4.2Å; V301-F516 HydrophobicContact CG2-CE2 4.35Å; L304-F516 HydrophobicContact CD1-CB 3.62Å; L339-F516 HydrophobicContact CD1-CD1 4.11Å; L339-F516 HydrophobicContact CD1-CE1 4.15Å; L513-F516 PolarHBondContact O-N 3.49Å; L513-F516 VanDerWaalsContact O-N 3.07Å; F516-T518 PolarHBondContact O-N 2.98Å; F516-M519 HydrophobicContact CD1-CE 4.25Å; F516-M519 PolarHBondContact O-N 3.39Å; F516-I520 WeakPolarHBondContact O-CG1 3.35Å; F516-I520 PolarHBondContact O-N 3.23Å
517R88.3Confident85.2Confident4 Ų420.4 Ų20.42%0.01510%0.1CC..Hα-helixtrans-55.9-50.3175.7-64.1-170.9-66.6141.4-3.9111.9L304 G439 Y443 D510 L513 D514 M519 I520 N521L304-R517 HydrophobicContact CD1-CG 3.93Å; L304-R517 HydrophobicContact CD2-CG 4.46Å; G439-R517 WeakPolarHBondContact O-CD 3.09Å; G439-R517 WeakPolarHBondContact O-CG 3.48Å; Y443-R517 VanDerWaalsContact CB-CD 3.45Å; D510-R517 IonicContact OD1-CZ 3.55Å; D510-R517 IonicContact OD1-NE 3.32Å; D510-R517 IonicContact OD1-NH2 3.55Å; D510-R517 PolarHBondContact OD1-NH2 3.12Å; D510-R517 IonicContact OD2-NH2 3.81Å; L513-R517 WeakPolarHBondContact O-CG 3.21Å; L513-R517 PolarHBondContact O-N 2.62Å; D514-R517 PolarHBondContact O-N 2.94Å; D514-R517 IonicContact OD1-CZ 3.78Å; D514-R517 IonicContact OD1-NE 3.96Å; D514-R517 IonicContact OD1-NH2 2.83Å; D514-R517 PolarHBondContact OD1-NH2 2.81Å; R517-M519 VanDerWaalsContact C-N 3.33Å; R517-M519 PolarHBondContact O-N 3.05Å; R517-I520 PolarHBondContact O-N 3.44Å; R517-N521 VanDerWaalsContact O-CG 3.27Å; R517-N521 PolarHBondContact O-N 3.3Å; R517-N521 PolarHBondContact O-OD1 3.13Å
518T84.1Confident86Confident6 Ų620 Ų204%0.03710%0.098CC..Hα-helixtrans-61-42.6179.4-54.70000111.4A338 R402 D514 F516 I520 N521 V522A338-T518 HydrophobicContact CB-CG2 4.35Å; R402-T518 HydrophobicContact CB-CG2 4.02Å; D514-T518 PolarHBondContact O-N 3.48Å; D514-T518 PolarHBondContact O-OG1 3.25Å; F516-T518 PolarHBondContact O-N 2.98Å; T518-I520 PolarHBondContact O-N 2.94Å; T518-N521 PolarHBondContact O-N 2.98Å; T518-V522 WeakPolarHBondContact O-CG2 3.41Å; T518-V522 PolarHBondContact O-N 3.3Å; T518-V522 VanDerWaalsContact O-N 3.07Å
519M87.4Confident87Confident42 Ų4219 Ų1921%0.2079%0.089CC..Hα-helixtrans-61.5-42177.5-175.7-177.870.200112.2L335 L339 R515 F516 R517 L523L335-M519 HydrophobicContact CB-CG 4.23Å; L335-M519 HydrophobicContact CD2-CG 4.23Å; L339-M519 HydrophobicContact CB-SD 4.26Å; L339-M519 HydrophobicContact CD1-SD 4.1Å; R515-M519 WeakPolarHBondContact O-CB 3.11Å; R515-M519 PolarHBondContact O-N 3.43Å; R515-M519 VanDerWaalsContact O-N 3.12Å; F516-M519 HydrophobicContact CD1-CE 4.25Å; F516-M519 PolarHBondContact O-N 3.39Å; R517-M519 VanDerWaalsContact C-N 3.33Å; R517-M519 PolarHBondContact O-N 3.05Å; M519-L523 WeakPolarHBondContact O-CB 3.47Å; M519-L523 PolarHBondContact O-N 2.98Å
520I92.3Very high87.8Confident3 Ų317.8 Ų17.82%0.0158%0.082CC..Hα-helixtrans-67.3-41.1177.9-64.1-41.5000111.7L304 D438 F516 R517 T518 V522 L523 G524L304-I520 HydrophobicContact CB-CG1 4.08Å; L304-I520 HydrophobicContact CD2-CB 4.49Å; L304-I520 HydrophobicContact CD2-CG1 4.14Å; D438-I520 HydrophobicContact CB-CG2 4.34Å; F516-I520 WeakPolarHBondContact O-CG1 3.35Å; F516-I520 PolarHBondContact O-N 3.23Å; R517-I520 PolarHBondContact O-N 3.44Å; T518-I520 PolarHBondContact O-N 2.94Å; I520-V522 PolarHBondContact O-N 3.09Å; I520-L523 HydrophobicContact CD1-CD2 4.48Å; I520-L523 WeakPolarHBondContact O-CB 3.31Å; I520-L523 PolarHBondContact O-N 3.14Å; I520-G524 PolarHBondContact O-N 2.95Å
521N90.6Very high88.5Confident4 Ų417.7 Ų17.72%0.0218%0.082CC..Hα-helixtrans-60.8-47.6177.1-63.3-5.5000110.8D438 G439 R517 T518 L523 G524 D525D438-N521 PolarHBondContact N-OD1 3.34Å; G439-N521 WeakPolarHBondContact CA-OD1 3.39Å; G439-N521 PolarHBondContact N-OD1 3.44Å; R517-N521 VanDerWaalsContact O-CG 3.27Å; R517-N521 PolarHBondContact O-N 3.3Å; R517-N521 PolarHBondContact O-OD1 3.13Å; T518-N521 PolarHBondContact O-N 2.98Å; N521-L523 VanDerWaalsContact C-N 3.3Å; N521-L523 PolarHBondContact O-N 2.9Å; N521-G524 PolarHBondContact O-N 2.89Å; N521-D525 PolarHBondContact O-N 3.27Å
522V89.4Confident89.4Confident3 Ų312.8 Ų12.82%0.0186%0.063CC..Hα-helixtrans-62.5-37.2177.2174.80000112.1L335 A338 T406 T410 T518 I520 A526L335-V522 HydrophobicContact CD2-CG1 4.25Å; A338-V522 HydrophobicContact CB-CB 4.23Å; A338-V522 HydrophobicContact CB-CG1 4.49Å; A338-V522 HydrophobicContact CB-CG2 3.93Å; T406-V522 VanDerWaalsContact OG1-CG2 3.25Å; T406-V522 WeakPolarHBondContact OG1-CG2 3.38Å; T410-V522 HydrophobicContact CG2-CG1 4.28Å; T410-V522 WeakPolarHBondContact OG1-CG1 3.48Å; T518-V522 WeakPolarHBondContact O-CG2 3.41Å; T518-V522 PolarHBondContact O-N 3.3Å; T518-V522 VanDerWaalsContact O-N 3.07Å; I520-V522 PolarHBondContact O-N 3.09Å; V522-A526 WeakPolarHBondContact O-CB 3.46Å; V522-A526 PolarHBondContact O-N 3.39Å; V522-A526 VanDerWaalsContact O-N 3.14Å
523L93.7Very high90.1Very high4 Ų412.4 Ų12.42%0.0216%0.06CC..Hα-helixtrans-64.3-44.5174.8178.657.9000111.7G308 I328 I331 L335 M519 I520 N521 A526 L527G308-L523 VanDerWaalsContact O-CD2 3.23Å; G308-L523 WeakPolarHBondContact O-CD2 3.41Å; I328-L523 HydrophobicContact CD1-CD1 4.41Å; I328-L523 HydrophobicContact CG1-CD1 4.06Å; I331-L523 HydrophobicContact CD1-CD1 3.81Å; L335-L523 HydrophobicContact CD1-CD1 4.09Å; L335-L523 HydrophobicContact CD2-CB 3.76Å; L335-L523 HydrophobicContact CD2-CD1 4.33Å; M519-L523 WeakPolarHBondContact O-CB 3.47Å; M519-L523 PolarHBondContact O-N 2.98Å; I520-L523 HydrophobicContact CD1-CD2 4.48Å; I520-L523 WeakPolarHBondContact O-CB 3.31Å; I520-L523 PolarHBondContact O-N 3.14Å; N521-L523 VanDerWaalsContact C-N 3.3Å; N521-L523 PolarHBondContact O-N 2.9Å; L523-A526 PolarHBondContact O-N 2.84Å; L523-L527 HydrophobicContact CD1-CD1 3.85Å; L523-L527 HydrophobicContact CD1-CG 4.05Å; L523-L527 HydrophobicContact CG-CD1 3.95Å; L523-L527 WeakPolarHBondContact O-CB 3.34Å; L523-L527 WeakPolarHBondContact O-CG 3.38Å; L523-L527 PolarHBondContact O-N 3.01Å
524G93.8Very high90.4Very high0 Ų015.6 Ų15.60%07%0.074CC..Hα-helixtrans-57.4-47.5176.200000112.2I520 N521 A526 L527 A528I520-G524 PolarHBondContact O-N 2.95Å; N521-G524 PolarHBondContact O-N 2.89Å; G524-A526 PolarHBondContact O-N 2.91Å; G524-L527 PolarHBondContact O-N 2.85Å; G524-A528 WeakPolarHBondContact O-CB 3.25Å; G524-A528 PolarHBondContact O-N 3.26Å
525D91.9Very high90.9Very high8 Ų818 Ų184%0.0439%0.087CC..Hα-helixtrans-61.8-43.4179-64.8-16000112.2L429 G432 A433 N436 N521 A528 A529L429-D525 HydrophobicContact CD2-CB 3.96Å; G432-D525 VanDerWaalsContact C-OD1 3.31Å; G432-D525 VanDerWaalsContact CA-OD1 3.24Å; G432-D525 WeakPolarHBondContact CA-OD1 3.46Å; A433-D525 PolarHBondContact N-OD2 2.94Å; N436-D525 VanDerWaalsContact CB-OD1 3.3Å; N436-D525 WeakPolarHBondContact CB-OD1 3.4Å; N436-D525 PolarHBondContact ND2-N 3.4Å; N436-D525 PolarHBondContact ND2-OD1 3.4Å; N521-D525 PolarHBondContact O-N 3.27Å; D525-A528 PolarHBondContact O-N 3Å; D525-A529 PolarHBondContact O-N 2.59Å
526A93Very high91.1Very high1 Ų114.2 Ų14.21%0.0087%0.073CC..Hα-helixtrans-67.7-42.5-179.700000112F327 I331 T410 L414 V522 L523 G524 A529 G530F327-A526 HydrophobicContact CE1-CB 4.46Å; F327-A526 WeakPolarHBondContact CE1-O 3.04Å; F327-A526 WeakPolarHBondContact CZ-O 3.31Å; I331-A526 HydrophobicContact CD1-CB 3.44Å; I331-A526 VanDerWaalsContact CD1-CB 3.44Å; I331-A526 HydrophobicContact CG2-CB 4.25Å; T410-A526 HydrophobicContact CG2-CB 4.13Å; L414-A526 HydrophobicContact CD1-CB 4.39Å; L414-A526 HydrophobicContact CD2-CB 4.27Å; V522-A526 WeakPolarHBondContact O-CB 3.46Å; V522-A526 PolarHBondContact O-N 3.39Å; V522-A526 VanDerWaalsContact O-N 3.14Å; L523-A526 PolarHBondContact O-N 2.84Å; G524-A526 PolarHBondContact O-N 2.91Å; A526-A529 PolarHBondContact O-N 3.47Å; A526-G530 PolarHBondContact O-N 2.95Å
527L95.6Very high90.8Very high0 Ų019.5 Ų19.50%09%0.091CC..Hα-helixtrans-66.2-39.3175.9-72172.7000111.5L312 Y316 F327 I328 L523 G524 A529 G530 I531L312-L527 HydrophobicContact CB-CD1 3.64Å; Y316-L527 HydrophobicContact CD2-CB 4.47Å; Y316-L527 HydrophobicContact CD2-CD2 3.7Å; Y316-L527 HydrophobicContact CE2-CD2 4.32Å; Y316-L527 HydrophobicContact CG-CD2 4.03Å; F327-L527 HydrophobicContact CD1-CD2 3.67Å; F327-L527 HydrophobicContact CE1-CD2 3.99Å; I328-L527 HydrophobicContact CG1-CD2 4.39Å; L523-L527 HydrophobicContact CD1-CD1 3.85Å; L523-L527 HydrophobicContact CD1-CG 4.05Å; L523-L527 HydrophobicContact CG-CD1 3.95Å; L523-L527 WeakPolarHBondContact O-CB 3.34Å; L523-L527 WeakPolarHBondContact O-CG 3.38Å; L523-L527 PolarHBondContact O-N 3.01Å; G524-L527 PolarHBondContact O-N 2.85Å; L527-A529 VanDerWaalsContact C-N 3.35Å; L527-A529 PolarHBondContact O-N 2.84Å; L527-G530 PolarHBondContact O-N 2.89Å; L527-I531 WeakPolarHBondContact O-CG1 3.33Å; L527-I531 PolarHBondContact O-N 2.92Å
528A94.2Very high89.9Confident0 Ų027.4 Ų27.40%013%0.125CC..Hα-helixtrans-57.5-47.6173.500000111.2Y95 Y96 V428 G524 D525 G530 I531 M532Y95-A528 HydrophobicContact CD1-CB 3.76Å; Y95-A528 HydrophobicContact CE1-CB 3.5Å; Y95-A528 VanDerWaalsContact CE1-CB 3.5Å; Y96-A528 HydrophobicContact CD1-CB 4.26Å; Y96-A528 HydrophobicContact CE1-CB 3.33Å; V428-A528 HydrophobicContact CG1-CB 4.07Å; G524-A528 WeakPolarHBondContact O-CB 3.25Å; G524-A528 PolarHBondContact O-N 3.26Å; D525-A528 PolarHBondContact O-N 3Å; A528-G530 VanDerWaalsContact C-N 3.27Å; A528-G530 PolarHBondContact O-N 3.07Å; A528-I531 PolarHBondContact O-N 3.47Å; A528-I531 VanDerWaalsContact O-N 3.11Å; A528-M532 WeakPolarHBondContact O-CB 3.47Å; A528-M532 VanDerWaalsContact O-CG 3.24Å; A528-M532 WeakPolarHBondContact O-CG 3.45Å; A528-M532 PolarHBondContact O-N 2.75Å
529A92.3Very high89.3Confident0 Ų029.5 Ų29.50%014%0.136CC..Hα-helixtrans-58.1-40.117700000112.2L414 V428 L429 D525 A526 L527 A533L414-A529 HydrophobicContact CD1-CB 4.07Å; V428-A529 HydrophobicContact CB-CB 4.27Å; V428-A529 HydrophobicContact CG1-CB 4.01Å; L429-A529 HydrophobicContact CD2-CB 4.36Å; D525-A529 PolarHBondContact O-N 2.59Å; A526-A529 PolarHBondContact O-N 3.47Å; L527-A529 VanDerWaalsContact C-N 3.35Å; L527-A529 PolarHBondContact O-N 2.84Å; A529-A533 VanDerWaalsContact O-CB 3.3Å; A529-A533 WeakPolarHBondContact O-CB 3.22Å; A529-A533 PolarHBondContact O-N 3.44Å
530G93.8Very high88.3Confident3 Ų329.1 Ų29.13%0.03113%0.133CC..Hα-helixtrans-66.5-39.2174.900000113.9A526 L527 A528 H534A526-G530 PolarHBondContact O-N 2.95Å; L527-G530 PolarHBondContact O-N 2.89Å; A528-G530 VanDerWaalsContact C-N 3.27Å; A528-G530 PolarHBondContact O-N 3.07Å; G530-H534 PolarHBondContact O-N 3.2Å
531I95Very high86.8Confident0 Ų031.9 Ų31.90%016%0.157CC..Hα-helixtrans-67.4-47.3176.4-71.8165000110.6Y95 Y316 I319 T320 L527 A528 A533 H534 I535Y95-I531 HydrophobicContact CD2-CD1 4.39Å; Y95-I531 HydrophobicContact CE2-CD1 3.42Å; Y95-I531 VanDerWaalsContact CE2-CD1 3.42Å; Y95-I531 WeakPolarHBondContact OH-CD1 3.34Å; Y316-I531 HydrophobicContact CD2-CD1 4.19Å; Y316-I531 HydrophobicContact CD2-CG1 3.68Å; Y316-I531 HydrophobicContact CE2-CG1 4.3Å; Y316-I531 HydrophobicContact CG-CG1 4.41Å; I319-I531 HydrophobicContact CD1-CD1 4.35Å; I319-I531 HydrophobicContact CD1-CG2 4.17Å; I319-I531 HydrophobicContact CG2-CG2 3.88Å; T320-I531 HydrophobicContact CG2-CG1 4.05Å; L527-I531 WeakPolarHBondContact O-CG1 3.33Å; L527-I531 PolarHBondContact O-N 2.92Å; A528-I531 PolarHBondContact O-N 3.47Å; A528-I531 VanDerWaalsContact O-N 3.11Å; I531-A533 VanDerWaalsContact C-N 3.29Å; I531-A533 PolarHBondContact O-N 3.24Å; I531-H534 WeakPolarHBondContact O-CB 3.24Å; I531-H534 PolarHBondContact O-N 3.38Å; I531-I535 HydrophobicContact CG2-CD1 3.61Å; I531-I535 HydrophobicContact CG2-CG1 4.33Å; I531-I535 WeakPolarHBondContact O-CG1 3.49Å; I531-I535 PolarHBondContact O-N 2.64Å
532M92.3Very high85Confident1 Ų141.1 Ų41.11%0.00519%0.191CC..Hα-helixtrans-61.4-39.5177.7-65.8-54.6144.200111.4L88 L91 T92 Y95 I424 V428 A528 H534 I535 C536L88-M532 HydrophobicContact CD1-CB 3.68Å; L88-M532 HydrophobicContact CD1-CG 4.12Å; L88-M532 HydrophobicContact CD1-SD 4.39Å; L91-M532 HydrophobicContact CB-SD 4.05Å; L91-M532 HydrophobicContact CD2-CE 4.39Å; L91-M532 HydrophobicContact CD2-SD 3.56Å; L91-M532 VanDerWaalsContact CD2-SD 3.56Å; L91-M532 HydrophobicContact CG-CE 3.93Å; L91-M532 HydrophobicContact CG-SD 3.61Å; L91-M532 WeakPolarHBondContact O-CE 3.21Å; T92-M532 PolarHBondContact OG1-SD 2.87Å; Y95-M532 HydrophobicContact CD1-CE 4.45Å; Y95-M532 HydrophobicContact CD2-CE 4.46Å; Y95-M532 HydrophobicContact CG-CE 3.91Å; I424-M532 HydrophobicContact CG2-CB 3.98Å; V428-M532 HydrophobicContact CG2-CB 4.22Å; V428-M532 HydrophobicContact CG2-CG 4.08Å; A528-M532 WeakPolarHBondContact O-CB 3.47Å; A528-M532 VanDerWaalsContact O-CG 3.24Å; A528-M532 WeakPolarHBondContact O-CG 3.45Å; A528-M532 PolarHBondContact O-N 2.75Å; M532-H534 VanDerWaalsContact C-N 3.26Å; M532-H534 PolarHBondContact O-N 3.33Å; M532-I535 PolarHBondContact O-N 2.85Å; M532-C536 VanDerWaalsContact O-CB 3.31Å; M532-C536 WeakPolarHBondContact O-CB 3.26Å; M532-C536 PolarHBondContact O-N 3.36Å
533A90.8Very high83.2Confident21 Ų2145.8 Ų45.817%0.17422%0.216CC..Hα-helixtrans-61.3-33173.200000113.6I420 I424 A529 I531I420-A533 HydrophobicContact CD1-CB 3.75Å; I420-A533 HydrophobicContact CG2-CB 4.18Å; I424-A533 VanDerWaalsContact CD1-CA 3.44Å; I424-A533 HydrophobicContact CD1-CB 3.81Å; A529-A533 VanDerWaalsContact O-CB 3.3Å; A529-A533 WeakPolarHBondContact O-CB 3.22Å; A529-A533 PolarHBondContact O-N 3.44Å; I531-A533 VanDerWaalsContact C-N 3.29Å; I531-A533 PolarHBondContact O-N 3.24Å
534H91.3Very high81.1Confident72 Ų7250.1 Ų50.133%0.33324%0.243SC..Hα-helixtrans-73.8-48.8174.6-174.378.9000112.1T320 G530 I531 M532 R537T320-H534 HydrophobicContact CG2-CB 3.84Å; T320-H534 PolarHBondContact O-CE1 2.91Å; G530-H534 PolarHBondContact O-N 3.2Å; I531-H534 WeakPolarHBondContact O-CB 3.24Å; I531-H534 PolarHBondContact O-N 3.38Å; M532-H534 VanDerWaalsContact C-N 3.26Å; M532-H534 PolarHBondContact O-N 3.33Å; H534-R537 WeakPolarHBondContact O-CB 3.49Å; H534-R537 PolarHBondContact O-N 3.17Å
535I90.4Very high78.6Confident55 Ų5553.4 Ų53.428%0.28228%0.277SS..Hα-helixtrans-68.8-45.6-174.5-62.4169.9000111.2L91 I319 I531 M532 R537L91-I535 HydrophobicContact CD2-CB 3.87Å; L91-I535 HydrophobicContact CD2-CD1 3.77Å; L91-I535 HydrophobicContact CD2-CG1 4.44Å; L91-I535 HydrophobicContact CD2-CG2 3.44Å; L91-I535 VanDerWaalsContact CD2-CG2 3.44Å; L91-I535 HydrophobicContact CG-CD1 4.47Å; I319-I535 HydrophobicContact CG2-CD1 3.89Å; I319-I535 HydrophobicContact CG2-CG1 4.06Å; I531-I535 HydrophobicContact CG2-CD1 3.61Å; I531-I535 HydrophobicContact CG2-CG1 4.33Å; I531-I535 WeakPolarHBondContact O-CG1 3.49Å; I531-I535 PolarHBondContact O-N 2.64Å; M532-I535 PolarHBondContact O-N 2.85Å; I535-R537 VanDerWaalsContact C-N 3.26Å; I535-R537 PolarHBondContact O-N 3.48Å
536C84.6Confident76.1Confident1 Ų158.3 Ų58.31%0.00731%0.307CS..THydrogen-bonded Turntrans-84.45.6-176.9-650000113.4L88 M532 K538 D539 F540L88-C536 HydrophobicContact CD1-CB 4.36Å; M532-C536 VanDerWaalsContact O-CB 3.31Å; M532-C536 WeakPolarHBondContact O-CB 3.26Å; M532-C536 PolarHBondContact O-N 3.36Å; C536-K538 PolarHBondContact O-N 3.01Å; C536-K538 VanDerWaalsContact O-N 3.09Å; C536-D539 PolarHBondContact O-N 2.75Å; C536-F540 HydrophobicContact CB-CD2 3.87Å; C536-F540 HydrophobicContact CB-CE2 3.46Å; C536-F540 VanDerWaalsContact CB-CE2 3.46Å; C536-F540 WeakPolarHBondContact O-CD2 3.37Å; C536-F540 PolarHBondContact O-N 2.81Å
537R81.2Confident73.3Confident182 Ų18265.8 Ų65.869%0.68734%0.342SS*.Hα-helixtrans-52.1-37.5-178.9-171.3179.5-179.1-170.30.6113H534 I535 A541H534-R537 WeakPolarHBondContact O-CB 3.49Å; H534-R537 PolarHBondContact O-N 3.17Å; I535-R537 VanDerWaalsContact C-N 3.26Å; I535-R537 PolarHBondContact O-N 3.48Å; R537-A541 WeakPolarHBondContact O-CB 3.33Å; R537-A541 PolarHBondContact O-N 2.93Å; R537-A541 VanDerWaalsContact O-N 3.15Å
538K69.8Low70.3Confident169 Ų16975 Ų7574%0.73538%0.382SS*.Hα-helixtrans-72.5-32.4179.5-68.3-175.5178.5179.90113.1C536C536-K538 PolarHBondContact O-N 3.01Å; C536-K538 VanDerWaalsContact O-N 3.09Å
539D71.2Confident67.1Low51 Ų5181.7 Ų81.727%0.27342%0.417SS..Hα-helixtrans-70.8-41.6-179.7-57-33000109.2R87 C536 R542R87-D539 IonicContact CZ-OD2 2.87Å; R87-D539 IonicContact NH1-OD1 2.62Å; R87-D539 PolarHBondContact NH1-OD1 3.2Å; R87-D539 IonicContact NH1-OD2 3.51Å; R87-D539 PolarHBondContact NH1-OD2 2.99Å; C536-D539 PolarHBondContact O-N 2.75Å; D539-R542 PolarHBondContact O-N 3.3Å
540F66.6Low64.1Low34 Ų3489.1 Ų89.115%0.14946%0.456CS..Hα-helixtrans-76-22.1177.2-64.3-64.8000115.2L88 I424 C536 R542 T544L88-F540 HydrophobicContact CD2-CZ 4.16Å; I424-F540 HydrophobicContact CD1-CD2 3.81Å; I424-F540 HydrophobicContact CD1-CE2 3.4Å; I424-F540 VanDerWaalsContact CD1-CE2 3.4Å; I424-F540 HydrophobicContact CD1-CZ 4.18Å; I424-F540 HydrophobicContact CG1-CD2 4.27Å; I424-F540 HydrophobicContact CG1-CE2 3.53Å; I424-F540 HydrophobicContact CG1-CZ 3.78Å; C536-F540 HydrophobicContact CB-CD2 3.87Å; C536-F540 HydrophobicContact CB-CE2 3.46Å; C536-F540 VanDerWaalsContact CB-CE2 3.46Å; C536-F540 WeakPolarHBondContact O-CD2 3.37Å; C536-F540 PolarHBondContact O-N 2.81Å; F540-R542 VanDerWaalsContact C-N 3.3Å; F540-T544 PolarHBondContact O-N 2.93Å; F540-T544 PolarHBondContact O-OG1 3.5Å
541A61.9Low61.5Low61 Ų6194.7 Ų94.750%0.50449%0.491SS..Hα-helixtrans-71.9-24.4173.500000112.6R537 T544R537-A541 WeakPolarHBondContact O-CB 3.33Å; R537-A541 PolarHBondContact O-N 2.93Å; R537-A541 VanDerWaalsContact O-N 3.15Å; A541-T544 WeakPolarHBondContact CA-OG1 3.07Å; A541-T544 PolarHBondContact O-OG1 3.43Å
542R52.4Low58.7Low198 Ų198100.3 Ų100.375%0.74753%0.53SS*.Hα-helixtrans-78.7-35.5175.9-68.6176.693.2157.75.1112.1D539 F540 T544 G545 T546D539-R542 PolarHBondContact O-N 3.3Å; F540-R542 VanDerWaalsContact C-N 3.3Å; R542-T544 VanDerWaalsContact C-N 3.29Å; R542-T544 PolarHBondContact O-N 3.45Å; R542-G545 PolarHBondContact O-N 2.91Å; R542-T546 PolarHBondContact O-OG1 3.25Å
543D52.3Low55.7Low100 Ų100108.7 Ų108.754%0.53557%0.569SS.*Hα-helixtrans-65.1-31.1174.5-80.5-10.9000113T546D543-T546 PolarHBondContact O-N 2.83Å
544T49.3Very low52.9Low95 Ų95114.2 Ų114.258%0.58360%0.601SS**Hα-helixtrans-76.9-21.7176.816.80000113.3F540 A541 R542 T546F540-T544 PolarHBondContact O-N 2.93Å; F540-T544 PolarHBondContact O-OG1 3.5Å; A541-T544 WeakPolarHBondContact CA-OG1 3.07Å; A541-T544 PolarHBondContact O-OG1 3.43Å; R542-T544 VanDerWaalsContact C-N 3.29Å; R542-T544 PolarHBondContact O-N 3.45Å; T544-T546 VanDerWaalsContact C-N 3.31Å
545G40.4Very low49.9Very low70 Ų70119.5 Ų119.572%0.72262%0.623SS**THydrogen-bonded Turntrans-82.7-6.417300000114.2R542R542-G545 PolarHBondContact O-N 2.91Å
546T39.9Very low47Very low110 Ų110123.1 Ų123.168%0.67565%0.65SS**SBendtrans-121.860.4178.6-36.70000107.9R542 D543 T544 K548R542-T546 PolarHBondContact O-OG1 3.25Å; D543-T546 PolarHBondContact O-N 2.83Å; T544-T546 VanDerWaalsContact C-N 3.31Å; T546-K548 VanDerWaalsContact C-N 3.27Å; T546-K548 PolarHBondContact O-N 2.96Å
547E33.8Very low44.8Very low158 Ų158127.4 Ų127.474%0.73868%0.675SS**  trans-69.983.8-177.2-142.6179.9-173.300110L549E547-L549 VanDerWaalsContact C-N 3.32Å; E547-L549 PolarHBondContact O-N 3.03Å
548K32.7Very low42.6Very low195 Ų195121.2 Ų121.285%0.84866%0.66SS**  trans-70.6101.6145.5-82.5-173.4177.9-178.80105.5T546 L550T546-K548 VanDerWaalsContact C-N 3.27Å; T546-K548 PolarHBondContact O-N 2.96Å; K548-L550 PolarHBondContact O-N 3.11Å
549L27.7Very low41.2Very low140 Ų140119.8 Ų119.873%0.73366%0.66SS**  trans-46.2112.6167.8-130.888.6000108.2E547 P551E547-L549 VanDerWaalsContact C-N 3.32Å; E547-L549 PolarHBondContact O-N 3.03Å; L549-P551 WeakPolarHBondContact O-CD 3.28Å
550L28.8Very low39.8Very low155 Ų155125.1 Ų125.181%0.81268%0.683SS**  trans-66.2123.9166.7-86.3150.9000107.2K548 C552K548-L550 PolarHBondContact O-N 3.11Å; L550-C552 VanDerWaalsContact C-N 3.29Å; L550-C552 PolarHBondContact O-N 3.06Å
551P39.1Very low38.6Very low120 Ų120129 Ų12978%0.77970%0.702SS**SBendtrans-75.290.4171.330-29.5000107.7L549L549-P551 WeakPolarHBondContact O-CD 3.28Å
552C35.5Very low37.8Very low119 Ų119130.4 Ų130.480%0.80470%0.7SS**  trans154.178.9148.9-80.60000110.8L550L550-C552 VanDerWaalsContact C-N 3.29Å; L550-C552 PolarHBondContact O-N 3.06Å
553E29.4Very low37.5Very low176 Ų176124.6 Ų124.682%0.82269%0.686SS**  trans-133.486.2143.3-112.2-171.4161.100106.8K555E553-K555 PolarHBondContact O-N 3.24Å
554T33.1Very low36.9Very low138 Ų138122.5 Ų122.585%0.84768%0.682SS**  trans-72109.116441.50000107.1
555K27.5Very low36.6Very low183 Ų183121.6 Ų121.680%0.79669%0.685SS**  trans-53.7133.2161.3-81.2178.8176.7174.50107.5E553 V557E553-K555 PolarHBondContact O-N 3.24Å; K555-V557 PolarHBondContact O-N 3.19Å
556P30.9Very low36.6Very low131 Ų131126.1 Ų126.185%0.85169%0.687SS**  trans-64.7108.8170.826.2-30.4000107.4S558P556-S558 PolarHBondContact O-N 2.87Å
557V37.1Very low36.5Very low90 Ų90128.3 Ų128.355%0.54569%0.69SS.*  trans-64.5130.6171.9179.30000107.2K555 E561 I562K555-V557 PolarHBondContact O-N 3.19Å; V557-E561 HydrophobicContact CG1-CB 3.68Å; V557-I562 HydrophobicContact CG1-CD1 4.41Å; V557-I562 HydrophobicContact CG1-CG1 3.87Å
558S35.6Very low36.8Very low52 Ų52127.3 Ų127.336%0.36469%0.689SS.*  trans-69144.1179.266.50000110P556 Q560 E561 I562P556-S558 PolarHBondContact O-N 2.87Å; S558-Q560 PolarHBondContact O-N 3.15Å; S558-E561 PolarHBondContact N-OE2 3.47Å; S558-E561 PolarHBondContact O-N 3.08Å; S558-E561 VanDerWaalsContact OG-CD 3.29Å; S558-E561 WeakPolarHBondContact OG-CG 3.38Å; S558-E561 PolarHBondContact OG-N 3.38Å; S558-E561 PolarHBondContact OG-OE2 3.37Å; S558-I562 PolarHBondContact O-N 3.1Å
559L40Very low37.3Very low139 Ų139121.5 Ų121.573%0.72869%0.685SS**Hα-helixtrans-55-24.4175.6-107156.8000112.5V563L559-V563 WeakPolarHBondContact O-CG2 3.29Å; L559-V563 PolarHBondContact O-N 3.28Å; L559-V563 VanDerWaalsContact O-N 3.13Å
560Q42.8Very low37.6Very low164 Ų164120 Ų12077%0.76669%0.685SS**Hα-helixtrans-71-35.4175.1-76.6178.6-34.500113.1S558 V563 A564S558-Q560 PolarHBondContact O-N 3.15Å; Q560-V563 PolarHBondContact O-N 3.06Å; Q560-A564 WeakPolarHBondContact O-CB 3.41Å; Q560-A564 PolarHBondContact O-N 3.31Å
561E41.2Very low37.7Very low116 Ų116119.6 Ų119.654%0.54269%0.689SS.*Hα-helixtrans-70.8-33.4176.2-74.2161.9141.800111.8V557 S558 A565V557-E561 HydrophobicContact CG1-CB 3.68Å; S558-E561 PolarHBondContact N-OE2 3.47Å; S558-E561 PolarHBondContact O-N 3.08Å; S558-E561 VanDerWaalsContact OG-CD 3.29Å; S558-E561 WeakPolarHBondContact OG-CG 3.38Å; S558-E561 PolarHBondContact OG-N 3.38Å; S558-E561 PolarHBondContact OG-OE2 3.37Å; E561-A565 PolarHBondContact O-N 3.17Å; E561-A565 VanDerWaalsContact O-N 3.17Å
562I44.6Very low37.3Very low89 Ų89121.7 Ų121.746%0.45669%0.686SS.*Hα-helixtrans-70.2-40.6175.4-59.7174.1000110.7V557 S558 A565 Q566V557-I562 HydrophobicContact CG1-CD1 4.41Å; V557-I562 HydrophobicContact CG1-CG1 3.87Å; S558-I562 PolarHBondContact O-N 3.1Å; I562-A565 PolarHBondContact O-N 2.99Å; I562-Q566 PolarHBondContact O-N 3.02Å
563V45.8Very low36.9Very low77 Ų77120.2 Ų120.247%0.46768%0.677SS.*Hα-helixtrans-70.2-35.6177.9173.20000111.5L559 Q560 A565 Q566 Q567L559-V563 WeakPolarHBondContact O-CG2 3.29Å; L559-V563 PolarHBondContact O-N 3.28Å; L559-V563 VanDerWaalsContact O-N 3.13Å; Q560-V563 PolarHBondContact O-N 3.06Å; V563-A565 VanDerWaalsContact C-N 3.33Å; V563-A565 PolarHBondContact O-N 2.74Å; V563-Q566 PolarHBondContact O-N 2.83Å; V563-Q567 PolarHBondContact O-N 3.07Å
564A40.4Very low37.1Very low55 Ų55119.3 Ų119.346%0.45568%0.683SS.*Hα-helixtrans-65.2-34.817400000112.6Q560Q560-A564 WeakPolarHBondContact O-CB 3.41Å; Q560-A564 PolarHBondContact O-N 3.31Å
565A42.8Very low37.1Very low76 Ų76116.8 Ų116.863%0.62868%0.675SS**Hα-helixtrans-70.9-30.2175.200000112.9E561 I562 V563E561-A565 PolarHBondContact O-N 3.17Å; E561-A565 VanDerWaalsContact O-N 3.17Å; I562-A565 PolarHBondContact O-N 2.99Å; V563-A565 VanDerWaalsContact C-N 3.33Å; V563-A565 PolarHBondContact O-N 2.74Å
566Q40.4Very low37.2Very low166 Ų166115.8 Ų115.878%0.77667%0.674SS**Hα-helixtrans-77.9-22.1177.8-75-145.8-48.400114.2I562 V563 N568I562-Q566 PolarHBondContact O-N 3.02Å; V563-Q566 PolarHBondContact O-N 2.83Å; Q566-N568 VanDerWaalsContact C-N 3.3Å; Q566-N568 PolarHBondContact O-N 3.01Å
567Q38.1Very low37.3Very low156 Ų156114.7 Ų114.773%0.72968%0.675SS**THydrogen-bonded Turntrans-74.5-17.4179.4-80.2-177.1-2500114.1V563V563-Q567 PolarHBondContact O-N 3.07Å
568N39.9Very low36.9Very low136 Ų136115.8 Ų115.873%0.72769%0.687SS**THydrogen-bonded Turntrans-98.326.8-178.1-74.3-10.5000114.5Q566 C570Q566-N568 VanDerWaalsContact C-N 3.3Å; Q566-N568 PolarHBondContact O-N 3.01Å; N568-C570 VanDerWaalsContact C-N 3.27Å; N568-C570 PolarHBondContact O-N 3.21Å
569G42.2Very low36.8Very low74 Ų74122 Ų12276%0.76371%0.71SS**  trans52.622.9149.700000119.4
570C33.9Very low36.1Very low108 Ų108123.1 Ų123.173%0.7372%0.717SS**  trans-114.488.2-177.7-150.90000110.7N568N568-C570 VanDerWaalsContact C-N 3.27Å; N568-C570 PolarHBondContact O-N 3.21Å
571V32.5Very low35.4Very low146 Ų146121.9 Ų121.989%0.88572%0.72SS**  trans-82114.9165.8179.70000107.6
572K29.1Very low34.6Very low165 Ų165125.2 Ų125.272%0.71774%0.741SS**  trans-122.6134.2160.2-76.4-168.7174.6-169.90108.9
573S28.7Very low33.7Very low88 Ų88124.3 Ų124.362%0.61575%0.754SS**  trans-72.3159.1-176.281.10000111.4A575S573-A575 PolarHBondContact O-N 3.22Å
574V33.3Very low33.3Very low157 Ų157126.2 Ų126.295%0.95277%0.767SS**THydrogen-bonded Turntrans-72.314.7-169.7177.60000113.7
575A31.7Very low32.6Very low84 Ų84129.7 Ų129.769%0.69478%0.783SS**THydrogen-bonded Turntrans-108.7-6.1-175.300000115.9S573S573-A575 PolarHBondContact O-N 3.22Å
576E30.9Very low31.7Very low163 Ų163132.1 Ų132.176%0.76279%0.794SS**SBendtrans-117.222.5-172.9-83.9-174.1155.300115.4
577A31.7Very low31.2Very low107 Ų107129 Ų12988%0.88479%0.789SS**  trans-103.315.1175.200000114
578S29.2Very low30.6Very low114 Ų114130.9 Ų130.980%0.79780%0.797SS**SBendtrans-113.749.4-177.7-166.60000112.6
579E32.8Very low29.9Very low181 Ų181132.9 Ų132.985%0.84680%0.801SS**  trans-161.594163.2-114.6177.2170.600108.7
580L27Very low29.1Very low164 Ų164135.9 Ų135.986%0.85980%0.804SS**SBendtrans-169.8126.5139.7-121.392.2000111.2
581T26.7Very low28.7Very low138 Ų138135.6 Ų135.685%0.84780%0.801SS**  trans81.197163.445.80000120.5
582L25.8Very low28.2Very low186 Ų186135.4 Ų135.497%0.97480%0.8SS**  trans-85.3140.1164.3-99.8145.8000112.5
583G25.6Very low28Very low70 Ų70136.3 Ų136.372%0.72281%0.807SS**  trans131.4146.6136.800000118.2
584P36.3Very low27.7Very low116 Ų116138.6 Ų138.675%0.75382%0.817SS**  cis-128143.6-1537.4-19.4000116.3
585T25.2Very low27.2Very low129 Ų129140.4 Ų140.479%0.79182%0.815SS**  trans59.2115.7140.659.80000122.5
586C24Very low26.9Very low127 Ų127145.2 Ų145.286%0.85882%0.823SS**  -169.4155110.9-101.50000112.1
587P30Very low26.6Very low101 Ų101145.5 Ų145.566%0.65683%0.83SS**  trans-100.4147.9-149.337.4-31.8000113.6
588H26.9Very low26.3Very low194 Ų194149.7 Ų149.790%0.89883%0.831SS**  trans169.298.5133.6-87.9-61.9000108.2
589H24.5Very low26.1Very low178 Ų178153.3 Ų153.382%0.82484%0.836SS**  trans-95.6133.8171.3-115.2-65.5000109.2
590V24.6Very low26.1Very low137 Ų137150.3 Ų150.383%0.8383%0.832SS**  trans-132.7122.5144.9178.60000105.9
591P25.7Very low26Very low102 Ų102148.5 Ų148.566%0.66283%0.83SS**  trans-86.5143.8179.733.4-30.3000111
592V22.7Very low25.9Very low142 Ų142148.1 Ų148.186%0.86183%0.828SS**  trans-103.3115.8164.3174.60000107.1
593Q23.8Very low25.8Very low184 Ų184145.9 Ų145.986%0.8682%0.821SS**PPolyproline II helixtrans-76.3146.8171.9-76.8-171.4-22.600110.6
594V23.4Very low25.7Very low137 Ų137147.7 Ų147.783%0.8382%0.823SS**PPolyproline II helixtrans-84124.3176.5174.80000108.1
595E23.5Very low25.4Very low195 Ų195149.4 Ų149.491%0.91183%0.825SS**PPolyproline II helixtrans-89.4125172.6-124.6168.1159.700109.4
596Q24.9Very low25.4Very low184 Ų184151.1 Ų151.186%0.8683%0.829SS**PPolyproline II helixtrans-99139.3168.7-88177.9-34.600108.7
597D23.6Very low25.5Very low170 Ų170152.9 Ų152.991%0.90983%0.825SS**PPolyproline II helixtrans-63.9128.4176.1-69.2-52.2000112.6
598E25.8Very low25.2Very low195 Ų195154.4 Ų154.491%0.91184%0.836SS**  trans-138.6138.6153.6-90.7-158.1147.400111.1
599E25.9Very low25.1Very low190 Ų190150.9 Ų150.989%0.88883%0.828SS**  trans-73164.7176.8-101.4-174.2157.200113.3
600P31.3Very low25.2Very low117 Ų117150.3 Ų150.376%0.7683%0.829SS**  trans-96.9164.4-149.638-35.7000114.7
601P26.6Very low25.3Very low126 Ų126152.1 Ų152.182%0.81883%0.829SS**  trans-123.9154.4145.931.5-16.2000113.8
602T23.3Very low25.4Very low131 Ų131155.2 Ų155.280%0.80484%0.838SS**  trans-65.9168.6-176.345.40000116.7
603V24.2Very low25.6Very low139 Ų139153.2 Ų153.284%0.84283%0.83SS**  trans96.2131163.2-169.50000113
604S24.3Very low25.9Very low107 Ų107152.6 Ų152.675%0.74883%0.828SS**  cis-155.6159.511.238.50000110.6
605L28.4Very low26.2Very low152 Ų152154.7 Ų154.780%0.79683%0.833SS**  trans-50.5142.1169.4-76.7111000113.7
606D25.5Very low26.6Very low166 Ų166154 Ų15489%0.88883%0.83SS**  -157140.8124.8-100.4-26.2000112.7
607H25.9Very low26.9Very low164 Ų164150.9 Ų150.976%0.75982%0.823SS**  trans-63.4143.6-177.7-88.5-68.6000113.5
608C25.2Very low27.2Very low132 Ų132150 Ų15089%0.89282%0.819SS**  trans-159.3118.6131-123.50000112.5
609T24.6Very low27.6Very low121 Ų121151.1 Ų151.174%0.74284%0.839SS**  trans-73.2136.5177-26.50000110.9
610I26.3Very low27.7Very low165 Ų165149.2 Ų149.285%0.84684%0.836SS**  trans-134.3130.8158.4-62.6-176000109.4
611Q25.8Very low27.5Very low175 Ų175150.9 Ų150.982%0.81884%0.84SS**  trans-70.4149.3-172.3-70.1178.4-55.800113.9
612I27.7Very low27.5Very low168 Ų168152.3 Ų152.386%0.86284%0.841SS**  trans-93.2128.4164.4-64.5166000107.4
613S27.9Very low27.8Very low99 Ų99153.5 Ų153.569%0.69284%0.844SS**  trans-132.6111.4164.7-60.90000109.3
614E29.9Very low28Very low172 Ų172154.4 Ų154.480%0.80484%0.844SS**  trans34.7120.3138.8-65.1173.516200119
615L29.6Very low28.2Very low181 Ų181157.6 Ų157.695%0.94885%0.85SS**  trans-124.7111.5148.7-140.283.4000109.2
616E30.9Very low28.2Very low179 Ų179158 Ų15884%0.83685%0.854SS**  trans-66.5145.9176.5-71175.8128.100112.5
617T32Very low28.4Very low119 Ų119157.4 Ų157.473%0.7385%0.851SS**  trans-65.2139.8158.6430000111.9
618N29.4Very low28.6Very low153 Ų153156.8 Ų156.882%0.81886%0.859SS**  164.2111.1129.6-82.9-26.8000111.5
619V34.4Very low29Very low218 Ų218159.1 Ų159.1100%1.32186%0.856SS**  1770100.3165.80000108

Retrieved 619 of 619 residues in 127.8 ms (Link to these results)