A0A087XEF2_POEFO Loading...

Mitochondrial carrier homolog 2

AlphaFold DB , UniProt , Accession A0A087XEF2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 303 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M51.2Low79Confident205 Ų20590.7 Ų90.7100%1.0153%0.532SS*.  0-44.70-70.1-146.4-7700112.7D3 T4 C5M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.37Å; M1-T4 PolarHBondContact O-N 3.31Å; M1-C5 PolarHBondContact O-N 3.44Å; M1-C5 VanDerWaalsContact O-N 3.1Å
2A60.1Low80Confident83 Ų8385.9 Ų85.969%0.68651%0.507SS*.Hα-helixtrans-57.8-42.7175.700000113T4 C5 G6A2-T4 PolarHBondContact O-N 3.01Å; A2-C5 PolarHBondContact O-N 2.86Å; A2-G6 PolarHBondContact O-N 3.07Å
3D77.9Confident81Confident134 Ų13482.2 Ų82.272%0.71750%0.497SS*.Hα-helixtrans-65.5-40.1179.2-55.6-35000112.9M1 G6 Q7M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.37Å; D3-G6 PolarHBondContact O-N 3.29Å; D3-Q7 WeakPolarHBondContact O-CG 3.36Å; D3-Q7 PolarHBondContact O-N 2.98Å
4T77.8Confident81.8Confident35 Ų3584.8 Ų84.822%0.21551%0.506CS..Hα-helixtrans-65.6-41.4177.3-42.60000111.4M1 A2 Q7 V8 T85M1-T4 PolarHBondContact O-N 3.31Å; A2-T4 PolarHBondContact O-N 3.01Å; T4-Q7 PolarHBondContact O-N 3.1Å; T4-V8 WeakPolarHBondContact O-CG2 3.08Å; T4-V8 PolarHBondContact O-N 3.48Å; T4-T85 HydrophobicContact CG2-CG2 4.48Å
5C81.5Confident82.5Confident75 Ų7580.7 Ų80.751%0.50748%0.482SS..Hα-helixtrans-62.7-44.5175.7-172.90000111.2M1 A2 Q7 V8 L9M1-C5 PolarHBondContact O-N 3.44Å; M1-C5 VanDerWaalsContact O-N 3.1Å; A2-C5 PolarHBondContact O-N 2.86Å; C5-Q7 PolarHBondContact O-N 3.31Å; C5-V8 PolarHBondContact O-N 3.18Å; C5-L9 WeakPolarHBondContact O-CB 3.43Å; C5-L9 WeakPolarHBondContact O-CG 3.39Å; C5-L9 PolarHBondContact O-N 2.93Å
6G84.5Confident83.3Confident29 Ų2978.8 Ų78.830%0.29947%0.471SS..Hα-helixtrans-59.1-43.617400000112.7A2 D3 L9 L10A2-G6 PolarHBondContact O-N 3.07Å; D3-G6 PolarHBondContact O-N 3.29Å; G6-L9 PolarHBondContact O-N 2.95Å; G6-L10 WeakPolarHBondContact O-CB 3.45Å; G6-L10 VanDerWaalsContact O-CG 3.3Å; G6-L10 WeakPolarHBondContact O-CG 3.41Å; G6-L10 PolarHBondContact O-N 2.91Å
7Q82.8Confident83.9Confident115 Ų11582.2 Ų82.254%0.53749%0.486SS..Hα-helixtrans-63.5-42.2176-75.4-178.9-27.100112.9D3 T4 C5 G11 T85D3-Q7 WeakPolarHBondContact O-CG 3.36Å; D3-Q7 PolarHBondContact O-N 2.98Å; T4-Q7 PolarHBondContact O-N 3.1Å; C5-Q7 PolarHBondContact O-N 3.31Å; Q7-G11 PolarHBondContact O-N 3.39Å; Q7-T85 HydrophobicContact CB-CG2 4.21Å
8V88.2Confident84.5Confident34 Ų3479.9 Ų79.921%0.20648%0.475CS..Hα-helixtrans-65.7-42.2177.4171.60000111T4 C5 S12 A82 T85T4-V8 WeakPolarHBondContact O-CG2 3.08Å; T4-V8 PolarHBondContact O-N 3.48Å; C5-V8 PolarHBondContact O-N 3.18Å; V8-S12 WeakPolarHBondContact O-CB 3.03Å; V8-S12 PolarHBondContact O-N 3.43Å; V8-S12 PolarHBondContact O-OG 2.79Å; V8-A82 HydrophobicContact CG1-CB 4.1Å; V8-T85 HydrophobicContact CG2-CG2 3.9Å
9L88.9Confident85Confident120 Ų12075.7 Ų75.763%0.62845%0.45SS*.Hα-helixtrans-63.8-49.5177.6-76.5169000111.8C5 G6 S12 G13C5-L9 WeakPolarHBondContact O-CB 3.43Å; C5-L9 WeakPolarHBondContact O-CG 3.39Å; C5-L9 PolarHBondContact O-N 2.93Å; G6-L9 PolarHBondContact O-N 2.95Å; L9-S12 PolarHBondContact O-N 3.04Å; L9-G13 PolarHBondContact O-N 3.34Å
10L89.3Confident85.5Confident135 Ų13573.1 Ų73.171%0.70743%0.434SS*.Hα-helixtrans-62-44.8177.1-71.3172.5000111.4G6 S12 G13 L14G6-L10 WeakPolarHBondContact O-CB 3.45Å; G6-L10 VanDerWaalsContact O-CG 3.3Å; G6-L10 WeakPolarHBondContact O-CG 3.41Å; G6-L10 PolarHBondContact O-N 2.91Å; L10-S12 VanDerWaalsContact C-N 3.34Å; L10-S12 PolarHBondContact O-N 2.92Å; L10-G13 PolarHBondContact O-N 2.9Å; L10-L14 PolarHBondContact O-N 3.29Å
11G87.1Confident85.9Confident33 Ų3372.6 Ų72.634%0.3443%0.432SS..Hα-helixtrans-63.6-38.1177.900000112.9Q7 T15Q7-G11 PolarHBondContact O-N 3.39Å; G11-T15 VanDerWaalsContact O-CB 3.29Å; G11-T15 WeakPolarHBondContact O-CB 3.38Å; G11-T15 PolarHBondContact O-N 2.91Å; G11-T15 PolarHBondContact O-OG1 2.87Å
12S91.3Very high88Confident33 Ų3364.9 Ų64.923%0.23139%0.394CS..Hα-helixtrans-67.1-46175.7-61.60000111.3V8 L9 L10 L14 T15 V16V8-S12 WeakPolarHBondContact O-CB 3.03Å; V8-S12 PolarHBondContact O-N 3.43Å; V8-S12 PolarHBondContact O-OG 2.79Å; L9-S12 PolarHBondContact O-N 3.04Å; L10-S12 VanDerWaalsContact C-N 3.34Å; L10-S12 PolarHBondContact O-N 2.92Å; S12-L14 PolarHBondContact O-N 2.83Å; S12-T15 WeakPolarHBondContact O-CB 3.37Å; S12-T15 PolarHBondContact O-N 2.88Å; S12-T15 VanDerWaalsContact O-N 3.15Å; S12-V16 WeakPolarHBondContact O-CG2 3.45Å; S12-V16 PolarHBondContact O-N 3.42Å
13G92.4Very high89.6Confident37 Ų3760.9 Ų60.938%0.38136%0.361SS..Hα-helixtrans-58-4817600000112.4L9 L10 T15 V16 L17L9-G13 PolarHBondContact O-N 3.34Å; L10-G13 PolarHBondContact O-N 2.9Å; G13-T15 VanDerWaalsContact C-N 3.3Å; G13-T15 PolarHBondContact O-N 3.45Å; G13-V16 PolarHBondContact O-N 3.34Å; G13-L17 WeakPolarHBondContact O-CG 3.24Å; G13-L17 PolarHBondContact O-N 3.17Å
14L91.8Very high90.4Very high119 Ų11954.6 Ų54.662%0.62333%0.327SS*.Hα-helixtrans-63.7-36.3176-175.663.5000112.3L10 S12 L17 S18L10-L14 PolarHBondContact O-N 3.29Å; S12-L14 PolarHBondContact O-N 2.83Å; L14-L17 PolarHBondContact O-N 3.48Å; L14-S18 VanDerWaalsContact O-CB 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.15Å; L14-S18 PolarHBondContact O-N 2.64Å; L14-S18 PolarHBondContact O-OG 3.15Å
15T93.4Very high91.2Very high24 Ų2455.6 Ų55.615%0.14733%0.329CS..Hα-helixtrans-63.6-45.6176.3-660000111.3G11 S12 G13 S18 H19 L74 R77 L78G11-T15 VanDerWaalsContact O-CB 3.29Å; G11-T15 WeakPolarHBondContact O-CB 3.38Å; G11-T15 PolarHBondContact O-N 2.91Å; G11-T15 PolarHBondContact O-OG1 2.87Å; S12-T15 WeakPolarHBondContact O-CB 3.37Å; S12-T15 PolarHBondContact O-N 2.88Å; S12-T15 VanDerWaalsContact O-N 3.15Å; G13-T15 VanDerWaalsContact C-N 3.3Å; G13-T15 PolarHBondContact O-N 3.45Å; T15-S18 PolarHBondContact O-N 3.21Å; T15-S18 PolarHBondContact O-OG 2.89Å; T15-H19 VanDerWaalsContact O-CB 3.28Å; T15-H19 WeakPolarHBondContact O-CB 3.21Å; T15-H19 PolarHBondContact O-N 3.33Å; T15-L74 HydrophobicContact CG2-CD1 4.26Å; T15-R77 HydrophobicContact CG2-CG 3.86Å; T15-L78 HydrophobicContact CG2-CD2 3.87Å
16V94.7Very high91.8Very high50 Ų5052.1 Ų52.130%0.30331%0.305SS..Hα-helixtrans-60.5-47.8176.7174.50000110.7S12 G13 S18 H19 Y71 L74 L78S12-V16 WeakPolarHBondContact O-CG2 3.45Å; S12-V16 PolarHBondContact O-N 3.42Å; G13-V16 PolarHBondContact O-N 3.34Å; V16-S18 PolarHBondContact O-N 3.41Å; V16-H19 WeakPolarHBondContact O-CB 2.86Å; V16-H19 PolarHBondContact O-N 3.06Å; V16-Y71 HydrophobicContact CG1-CE1 4.17Å; V16-L74 HydrophobicContact CG2-CD1 4.11Å; V16-L74 HydrophobicContact CG2-CD2 4.18Å; V16-L78 HydrophobicContact CG2-CD1 4.47Å; V16-L78 HydrophobicContact CG2-CD2 4.22Å
17L94.3Very high92.1Very high137 Ų13750.8 Ų50.872%0.71729%0.291SS*.Hα-helixtrans-64.2-41.1-179.5-68.9173.3000112.7G13 L14 H19G13-L17 WeakPolarHBondContact O-CG 3.24Å; G13-L17 PolarHBondContact O-N 3.17Å; L14-L17 PolarHBondContact O-N 3.48Å; L17-H19 VanDerWaalsContact C-N 3.32Å
18S93.8Very high92.5Very high41 Ų4145.3 Ų45.329%0.28727%0.266SS..Hα-helixtrans-82.7-6.4-179.765.30000114L14 T15 V16 V21 M22 R77L14-S18 VanDerWaalsContact O-CB 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.15Å; L14-S18 PolarHBondContact O-N 2.64Å; L14-S18 PolarHBondContact O-OG 3.15Å; T15-S18 PolarHBondContact O-N 3.21Å; T15-S18 PolarHBondContact O-OG 2.89Å; V16-S18 PolarHBondContact O-N 3.41Å; S18-V21 PolarHBondContact O-N 3.46Å; S18-M22 PolarHBondContact O-N 3.1Å; S18-M22 VanDerWaalsContact O-N 3.13Å; S18-R77 PolarHBondContact OG-NH2 2.97Å
19H94.8Very high92.7Very high0 Ų043.7 Ų43.70%026%0.256CS..Hα-helixtrans-61.2-48.4-172.3-169.190.8000114.1T15 V16 L17 V21 M22 Y23 L70 Y71 N72 L74 R77 M147T15-H19 VanDerWaalsContact O-CB 3.28Å; T15-H19 WeakPolarHBondContact O-CB 3.21Å; T15-H19 PolarHBondContact O-N 3.33Å; V16-H19 WeakPolarHBondContact O-CB 2.86Å; V16-H19 PolarHBondContact O-N 3.06Å; L17-H19 VanDerWaalsContact C-N 3.32Å; H19-V21 PolarHBondContact O-N 3.46Å; H19-M22 PolarHBondContact O-N 2.77Å; H19-M22 VanDerWaalsContact O-N 3.16Å; H19-Y23 WeakPolarHBondContact O-CB 3.47Å; H19-Y23 PolarHBondContact O-N 3.34Å; H19-L70 PolarHBondContact CD2-O 3.2Å; H19-Y71 HydrophobicContact CB-CD1 4.31Å; H19-N72 PolarHBondContact NE2-O 3.24Å; H19-L74 HydrophobicContact CB-CD1 3.97Å; H19-L74 WeakPolarHBondContact CE1-CA 3.05Å; H19-L74 PolarHBondContact CE1-N 3.42Å; H19-R77 PolarHBondContact ND1-NH1 3.26Å; H19-M147 WeakPolarHBondContact CE1-CE 3.38Å
20P94.8Very high92.7Very high22 Ų2238.5 Ų38.514%0.14323%0.229CC..Hα-helixtrans-58.3-37179.5-26.736.9000113.1Y23 I24 L70 Y71P20-Y23 PolarHBondContact O-N 2.83Å; P20-I24 WeakPolarHBondContact O-CD1 3.45Å; P20-I24 WeakPolarHBondContact O-CG1 3.28Å; P20-I24 PolarHBondContact O-N 3.14Å; P20-I24 VanDerWaalsContact O-N 3.13Å; P20-L70 HydrophobicContact CB-CB 4.28Å; P20-L70 HydrophobicContact CB-CD1 4.37Å; P20-L70 HydrophobicContact CB-CD2 4.29Å; P20-L70 HydrophobicContact CG-CB 4.32Å; P20-Y71 HydrophobicContact CG-CE1 4.09Å
21V94.1Very high92.6Very high63 Ų6333.7 Ų33.738%0.38221%0.212SC..Hα-helixtrans-68.1-45.8179-1770000110.8S18 H19 Y23 K25 L54 L284S18-V21 PolarHBondContact O-N 3.46Å; H19-V21 PolarHBondContact O-N 3.46Å; V21-Y23 VanDerWaalsContact C-N 3.32Å; V21-Y23 PolarHBondContact O-N 3.15Å; V21-K25 WeakPolarHBondContact O-CB 3.24Å; V21-K25 PolarHBondContact O-N 2.84Å; V21-L54 HydrophobicContact CG1-CD1 4.32Å; V21-L54 HydrophobicContact CG1-CD2 4.4Å; V21-L54 HydrophobicContact CG2-CD2 4.26Å; V21-L284 HydrophobicContact CG1-CD1 3.6Å
22M94Very high92.6Very high43 Ų4333.6 Ų33.621%0.21220%0.202CC..Hα-helixtrans-62-42.1176.1-178.863.1179.300111.4S18 H19 K25 V26 M147S18-M22 PolarHBondContact O-N 3.1Å; S18-M22 VanDerWaalsContact O-N 3.13Å; H19-M22 PolarHBondContact O-N 2.77Å; H19-M22 VanDerWaalsContact O-N 3.16Å; M22-K25 WeakPolarHBondContact O-CB 3.46Å; M22-K25 PolarHBondContact O-N 2.92Å; M22-V26 HydrophobicContact CE-CG2 3.75Å; M22-V26 HydrophobicContact CG-CG2 4.45Å; M22-V26 WeakPolarHBondContact O-CG2 3.49Å; M22-V26 PolarHBondContact O-N 2.79Å; M22-V26 HydrophobicContact SD-CG2 4.31Å; M22-M147 HydrophobicContact CG-CE 4.37Å
23Y94.8Very high92.3Very high0 Ų033 Ų330%020%0.196CC..Hα-helixtrans-59.7-50.8-179.9177.2-153.9000111.5H19 P20 V21 K25 V26 L27 I61 G69 L70 N72 M147 F150H19-Y23 WeakPolarHBondContact O-CB 3.47Å; H19-Y23 PolarHBondContact O-N 3.34Å; P20-Y23 PolarHBondContact O-N 2.83Å; V21-Y23 VanDerWaalsContact C-N 3.32Å; V21-Y23 PolarHBondContact O-N 3.15Å; Y23-K25 VanDerWaalsContact C-N 3.28Å; Y23-K25 PolarHBondContact O-N 3.29Å; Y23-V26 PolarHBondContact O-N 3.38Å; Y23-L27 HydrophobicContact CD2-CD1 4.15Å; Y23-L27 HydrophobicContact CD2-CG 4.12Å; Y23-L27 HydrophobicContact CE2-CD1 3.63Å; Y23-L27 HydrophobicContact CE2-CD2 4.1Å; Y23-L27 HydrophobicContact CE2-CG 3.79Å; Y23-L27 PolarHBondContact O-N 3.32Å; Y23-L27 VanDerWaalsContact O-N 3.11Å; Y23-I61 HydrophobicContact CD1-CD1 4.32Å; Y23-I61 HydrophobicContact CE1-CD1 4.09Å; Y23-I61 HydrophobicContact CE1-CG2 4.05Å; Y23-G69 VanDerWaalsContact CE1-O 3.26Å; Y23-G69 WeakPolarHBondContact CE1-O 3.5Å; Y23-L70 HydrophobicContact CD1-CD2 4.5Å; Y23-N72 HydrophobicContact CE1-CB 4.45Å; Y23-M147 HydrophobicContact CD2-CB 3.55Å; Y23-M147 HydrophobicContact CD2-CG 3.48Å; Y23-M147 VanDerWaalsContact CD2-CG 3.48Å; Y23-M147 HydrophobicContact CD2-SD 4.19Å; Y23-M147 HydrophobicContact CE2-CB 3.63Å; Y23-M147 HydrophobicContact CE2-CG 3.96Å; Y23-M147 VanDerWaalsContact CE2-O 3.3Å; Y23-M147 WeakPolarHBondContact CE2-O 3.46Å; Y23-M147 HydrophobicContact CG-CG 4.28Å; Y23-F150 WeakPolarHBondContact OH-CB 3.22Å; Y23-F150 WeakPolarHBondContact OH-CD2 3.34Å; Y23-F150 VanDerWaalsContact OH-CG 3.31Å; Y23-F150 WeakPolarHBondContact OH-CG 3.43Å
24I93.7Very high91.7Very high2 Ų231.8 Ų31.81%0.0118%0.181CC..Hα-helixtrans-61.7-39.6176.5-64.8161.4000110.9P20 V26 L27 I28 L54 Y57 A58 I61P20-I24 WeakPolarHBondContact O-CD1 3.45Å; P20-I24 WeakPolarHBondContact O-CG1 3.28Å; P20-I24 PolarHBondContact O-N 3.14Å; P20-I24 VanDerWaalsContact O-N 3.13Å; I24-V26 PolarHBondContact O-N 3.33Å; I24-L27 PolarHBondContact O-N 2.71Å; I24-I28 HydrophobicContact CG2-CD1 3.75Å; I24-I28 HydrophobicContact CG2-CG1 4.42Å; I24-I28 VanDerWaalsContact O-CG1 3.31Å; I24-I28 WeakPolarHBondContact O-CG1 3.34Å; I24-I28 PolarHBondContact O-N 2.93Å; I24-L54 HydrophobicContact CB-CD1 3.82Å; I24-L54 HydrophobicContact CD1-CD1 3.58Å; I24-L54 HydrophobicContact CD1-CG 4.29Å; I24-L54 HydrophobicContact CG1-CD1 4.31Å; I24-L54 HydrophobicContact CG2-CD1 3.76Å; I24-Y57 HydrophobicContact CG2-CD1 4.05Å; I24-Y57 HydrophobicContact CG2-CG 4.07Å; I24-A58 HydrophobicContact CD1-CB 3.65Å; I24-I61 HydrophobicContact CG1-CD1 3.72Å
25K94.3Very high91.4Very high56 Ų5628.2 Ų28.224%0.24316%0.163CC..Hα-helixtrans-58.6-46.7175.8-176.9173.3-176.6176.50111.8V21 M22 Y23 L27 I28 Q29 G281 L284V21-K25 WeakPolarHBondContact O-CB 3.24Å; V21-K25 PolarHBondContact O-N 2.84Å; M22-K25 WeakPolarHBondContact O-CB 3.46Å; M22-K25 PolarHBondContact O-N 2.92Å; Y23-K25 VanDerWaalsContact C-N 3.28Å; Y23-K25 PolarHBondContact O-N 3.29Å; K25-L27 PolarHBondContact O-N 3Å; K25-I28 PolarHBondContact O-N 3.35Å; K25-Q29 HydrophobicContact CG-CG 4.38Å; K25-Q29 WeakPolarHBondContact O-CB 3.4Å; K25-Q29 VanDerWaalsContact O-CG 3.24Å; K25-Q29 WeakPolarHBondContact O-CG 3.29Å; K25-Q29 PolarHBondContact O-N 2.72Å; K25-G281 WeakPolarHBondContact CE-O 3.45Å; K25-L284 HydrophobicContact CB-CD1 4.09Å; K25-L284 HydrophobicContact CB-CD2 3.84Å; K25-L284 HydrophobicContact CD-CD1 4.46Å; K25-L284 HydrophobicContact CG-CD2 4.05Å
26V94.1Very high90.8Very high1 Ų130.2 Ų30.21%0.00618%0.176CC..Hα-helixtrans-61.7-44178.8169.20000111.1M22 Y23 I24 I28 Q29 V30 L144 M147 V148M22-V26 HydrophobicContact CE-CG2 3.75Å; M22-V26 HydrophobicContact CG-CG2 4.45Å; M22-V26 WeakPolarHBondContact O-CG2 3.49Å; M22-V26 PolarHBondContact O-N 2.79Å; M22-V26 HydrophobicContact SD-CG2 4.31Å; Y23-V26 PolarHBondContact O-N 3.38Å; I24-V26 PolarHBondContact O-N 3.33Å; V26-I28 VanDerWaalsContact C-N 3.31Å; V26-I28 PolarHBondContact O-N 3.48Å; V26-Q29 WeakPolarHBondContact O-CB 3.45Å; V26-Q29 PolarHBondContact O-N 3.31Å; V26-Q29 VanDerWaalsContact O-N 3.14Å; V26-V30 PolarHBondContact O-N 3.09Å; V26-L144 HydrophobicContact CB-CD2 4.35Å; V26-L144 HydrophobicContact CG1-CD2 3.76Å; V26-L144 HydrophobicContact CG2-CD2 3.58Å; V26-M147 HydrophobicContact CB-SD 3.92Å; V26-M147 HydrophobicContact CG1-CB 4.12Å; V26-M147 HydrophobicContact CG1-SD 4.13Å; V26-M147 HydrophobicContact CG2-SD 3.79Å; V26-V148 HydrophobicContact CG1-CG2 4.27Å
27L92.2Very high90.3Very high1 Ų129.2 Ų29.21%0.00517%0.171CC..Hα-helixtrans-59.9-41.2175.9-68.2179.1000112.2Y23 I24 K25 V30 G31 H32 I61 F150 I151Y23-L27 HydrophobicContact CD2-CD1 4.15Å; Y23-L27 HydrophobicContact CD2-CG 4.12Å; Y23-L27 HydrophobicContact CE2-CD1 3.63Å; Y23-L27 HydrophobicContact CE2-CD2 4.1Å; Y23-L27 HydrophobicContact CE2-CG 3.79Å; Y23-L27 PolarHBondContact O-N 3.32Å; Y23-L27 VanDerWaalsContact O-N 3.11Å; I24-L27 PolarHBondContact O-N 2.71Å; K25-L27 PolarHBondContact O-N 3Å; L27-V30 WeakPolarHBondContact O-CG2 3.44Å; L27-G31 PolarHBondContact O-N 3.28Å; L27-H32 HydrophobicContact CB-CB 4.37Å; L27-H32 VanDerWaalsContact O-CB 3.28Å; L27-H32 WeakPolarHBondContact O-CB 3.44Å; L27-H32 PolarHBondContact O-N 2.86Å; L27-I61 HydrophobicContact CD1-CD1 3.98Å; L27-F150 HydrophobicContact CD1-CD1 3.92Å; L27-F150 HydrophobicContact CD1-CE1 4.43Å; L27-F150 HydrophobicContact CD1-CG 4.49Å; L27-F150 HydrophobicContact CD2-CB 4.49Å; L27-I151 HydrophobicContact CD2-CD1 4.29Å; L27-I151 HydrophobicContact CD2-CG1 4.08Å
28I91.3Very high89.8Confident1 Ų126.7 Ų26.71%0.00516%0.161CC..Hα-helixtrans-67.2-39.3175.6-66.8166.2000111.2I24 K25 V26 V30 G31 Y57 R280 L284I24-I28 HydrophobicContact CG2-CD1 3.75Å; I24-I28 HydrophobicContact CG2-CG1 4.42Å; I24-I28 VanDerWaalsContact O-CG1 3.31Å; I24-I28 WeakPolarHBondContact O-CG1 3.34Å; I24-I28 PolarHBondContact O-N 2.93Å; K25-I28 PolarHBondContact O-N 3.35Å; V26-I28 VanDerWaalsContact C-N 3.31Å; V26-I28 PolarHBondContact O-N 3.48Å; I28-V30 PolarHBondContact O-N 3.31Å; I28-G31 WeakPolarHBondContact O-CA 3.28Å; I28-G31 PolarHBondContact O-N 3.16Å; I28-Y57 HydrophobicContact CG1-CD1 4.48Å; I28-Y57 HydrophobicContact CG1-CE1 3.99Å; I28-R280 WeakPolarHBondContact O-CD 3.26Å; I28-L284 HydrophobicContact CD1-CD2 3.74Å
29Q91.8Very high89.2Confident0 Ų031 Ų310%018%0.18CC..Hα-helixtrans-62.8-40.6178.8-75.8179.9-45.100112.1K25 V26 G31 Y235 L239 H242 L243 R280K25-Q29 HydrophobicContact CG-CG 4.38Å; K25-Q29 WeakPolarHBondContact O-CB 3.4Å; K25-Q29 VanDerWaalsContact O-CG 3.24Å; K25-Q29 WeakPolarHBondContact O-CG 3.29Å; K25-Q29 PolarHBondContact O-N 2.72Å; V26-Q29 WeakPolarHBondContact O-CB 3.45Å; V26-Q29 PolarHBondContact O-N 3.31Å; V26-Q29 VanDerWaalsContact O-N 3.14Å; Q29-G31 PolarHBondContact O-N 2.91Å; Q29-Y235 PolarHBondContact NE2-OH 2.8Å; Q29-Y235 VanDerWaalsContact NE2-OH 3.11Å; Q29-L239 HydrophobicContact CB-CD1 3.64Å; Q29-L239 HydrophobicContact CG-CD1 3.74Å; Q29-H242 PolarHBondContact OE1-ND1 3.21Å; Q29-L243 WeakPolarHBondContact O-CD2 3.32Å; Q29-R280 WeakPolarHBondContact CG-O 3.43Å; Q29-R280 WeakPolarHBondContact O-CD 3.42Å; Q29-R280 PolarHBondContact O-NH1 3.48Å
30V89Confident88.6Confident11 Ų1131.8 Ų31.87%0.06719%0.188CC..THydrogen-bonded Turntrans-72.9-6.4174.9-560000113.2V26 L27 I28 H32 V148 I151 L243 V246V26-V30 PolarHBondContact O-N 3.09Å; L27-V30 WeakPolarHBondContact O-CG2 3.44Å; I28-V30 PolarHBondContact O-N 3.31Å; V30-H32 HydrophobicContact CG2-CB 4.3Å; V30-V148 HydrophobicContact CG1-CG2 3.84Å; V30-V148 HydrophobicContact CG2-CG2 4.22Å; V30-I151 HydrophobicContact CG2-CD1 3.66Å; V30-L243 HydrophobicContact CB-CD2 4.38Å; V30-L243 HydrophobicContact CG1-CD2 4.21Å; V30-V246 HydrophobicContact CG1-CG2 3.79Å
31G86.1Confident87.9Confident33 Ų3339.7 Ų39.734%0.3422%0.215SC..THydrogen-bonded Turntrans88.818.5177.300000113.9L27 I28 Q29 E33L27-G31 PolarHBondContact O-N 3.28Å; I28-G31 WeakPolarHBondContact O-CA 3.28Å; I28-G31 PolarHBondContact O-N 3.16Å; Q29-G31 PolarHBondContact O-N 2.91Å; G31-E33 PolarHBondContact O-N 3.34Å
32H87.3Confident87.1Confident32 Ų3238.2 Ų38.215%0.14821%0.205CC..  trans-76113.7176.8-17759.8000111.4L27 V30 Y57 F150 I151L27-H32 HydrophobicContact CB-CB 4.37Å; L27-H32 VanDerWaalsContact O-CB 3.28Å; L27-H32 WeakPolarHBondContact O-CB 3.44Å; L27-H32 PolarHBondContact O-N 2.86Å; V30-H32 HydrophobicContact CG2-CB 4.3Å; H32-Y57 WeakPolarHBondContact O-CE1 3.1Å; H32-Y57 PolarHBondContact O-OH 3.4Å; H32-F150 AromaticContact NE2-CE1 3.87Å; H32-I151 HydrophobicContact CB-CD1 3.62Å; H32-I151 HydrophobicContact CB-CG1 3.95Å
33E85.9Confident86.3Confident19 Ų1944.7 Ų44.79%0.08924%0.24CC..  trans-129.580.6-177.5-56.6-148.5-176.700112G31 L35 L51 Y57 R287 Y295 F302G31-E33 PolarHBondContact O-N 3.34Å; E33-L35 VanDerWaalsContact C-N 3.32Å; E33-L35 PolarHBondContact O-N 3.18Å; E33-L51 WeakPolarHBondContact OE2-CD1 3.37Å; E33-L51 WeakPolarHBondContact OE2-CD2 3.26Å; E33-Y57 VanDerWaalsContact CA-OH 3.28Å; E33-Y57 WeakPolarHBondContact CA-OH 3.4Å; E33-R287 IonicContact OE1-NH2 3.68Å; E33-R287 PolarHBondContact OE1-NH2 3.06Å; E33-R287 IonicContact OE2-NH2 3.42Å; E33-R287 PolarHBondContact OE2-NH2 3.48Å; E33-Y295 HydrophobicContact CB-CE2 4.31Å; E33-Y295 WeakPolarHBondContact O-CE2 3.49Å; E33-Y295 PolarHBondContact O-OH 3.42Å; E33-F302 HydrophobicContact CB-CD2 4.45Å; E33-F302 HydrophobicContact CB-CE2 3.6Å; E33-F302 HydrophobicContact CB-CZ 4.44Å; E33-F302 HydrophobicContact CG-CD2 4.38Å; E33-F302 HydrophobicContact CG-CE2 3.7Å; E33-F302 WeakPolarHBondContact OE2-CE2 3.31Å; E33-F302 WeakPolarHBondContact OE2-CZ 3.35Å
34P80.3Confident85.7Confident12 Ų1253.1 Ų53.18%0.07828%0.276CS..  trans-80-10.8-170.831.3-35000114.6Y57P34-Y57 HydrophobicContact CG-CE1 4.23Å
35L84.6Confident84.9Confident44 Ų4455.1 Ų55.123%0.2330%0.298CS..SBendtrans-118.4138.5-174.5-66.5175.4000109.6E33 P52 A56 H60E33-L35 VanDerWaalsContact C-N 3.32Å; E33-L35 PolarHBondContact O-N 3.18Å; L35-P52 HydrophobicContact CB-CB 4.31Å; L35-P52 HydrophobicContact CB-CG 3.4Å; L35-P52 VanDerWaalsContact CB-CG 3.4Å; L35-P52 HydrophobicContact CD1-CB 3.95Å; L35-P52 HydrophobicContact CD1-CG 3.93Å; L35-P52 HydrophobicContact CG-CG 4.3Å; L35-A56 HydrophobicContact CD1-CB 4.29Å; L35-H60 HydrophobicContact CD1-CB 4.19Å
36P82.1Confident84.4Confident66 Ų6661.3 Ų61.343%0.42932%0.319SS..  trans-67.6151.9-177.628.3-35000112.4Y295P36-Y295 VanDerWaalsContact CA-CE1 3.49Å; P36-Y295 HydrophobicContact CB-CD1 4.18Å; P36-Y295 HydrophobicContact CB-CE1 3.86Å
37P84.1Confident83.8Confident30 Ų3068.4 Ų68.420%0.19535%0.352CS..  trans-62.1142.9172.225.7-32.2000110.3Q49 Q50 L51 Y295P37-Q49 HydrophobicContact CB-CB 4.32Å; P37-Q50 WeakPolarHBondContact CA-O 3.46Å; P37-L51 HydrophobicContact CB-CD2 4.22Å; P37-Y295 VanDerWaalsContact CD-CD1 3.42Å; P37-Y295 HydrophobicContact CG-CD1 4.43Å; P37-Y295 HydrophobicContact CG-CG 4.3Å
38T82.8Confident83.1Confident84 Ų8470 Ų7052%0.51536%0.362SS..EExtended strand (participates in β ladder)trans-109.3147.8175.356.10000109.9G40 Q50T38-G40 PolarHBondContact O-N 3.2Å; T38-Q50 PolarHBondContact N-O 3.13Å; T38-Q50 PolarHBondContact O-N 2.91Å
39L82.3Confident82.7Confident132 Ų13274.7 Ų74.769%0.69138%0.384SS*.EExtended strand (participates in β ladder)trans-72.3115.1172.6-86.6136.3000109.1
40G80.8Confident82.3Confident15 Ų1577.1 Ų77.116%0.15540%0.396CS..EExtended strand (participates in β ladder)trans-121.3175.9176.300000112.1T38 Q47 V48T38-G40 PolarHBondContact O-N 3.2Å; G40-Q47 WeakPolarHBondContact O-CA 3.47Å; G40-V48 PolarHBondContact N-O 2.84Å; G40-V48 PolarHBondContact O-N 3.5Å; G40-V48 VanDerWaalsContact O-O 3.13Å
41R80.1Confident82.1Confident188 Ų18877.1 Ų77.171%0.70940%0.395SS*.EExtended strand (participates in β ladder)trans-108.8141169.9-66.5-176.3-179.1-175.2-0.9109.4R46 Q50R41-R46 CarbonylContact C-O 3.6Å; R41-R46 WeakPolarHBondContact CA-O 3.42Å; R41-Q50 PolarHBondContact O-NE2 3.39Å; R41-Q50 VanDerWaalsContact O-NE2 3.15Å
42N78Confident82Confident32 Ų3276.3 Ų76.317%0.17138%0.384CS..  trans-77.7174.9170.573.24.7000111F44 G45 R46 V48N42-F44 PolarHBondContact O-N 2.94Å; N42-F44 VanDerWaalsContact OD1-CA 3.24Å; N42-F44 WeakPolarHBondContact OD1-CA 3.38Å; N42-F44 WeakPolarHBondContact OD1-CB 3.47Å; N42-F44 PolarHBondContact OD1-N 3.29Å; N42-G45 PolarHBondContact O-N 3.12Å; N42-G45 PolarHBondContact OD1-N 3.42Å; N42-R46 PolarHBondContact N-O 3.22Å; N42-R46 PolarHBondContact OD1-N 3.01Å; N42-V48 HydrophobicContact CB-CG2 4.07Å
43L77.6Confident82Confident180 Ų18075.7 Ų75.794%0.94239%0.386SS*.THydrogen-bonded Turntrans-54.7-21.5173.9-82.6149.6000113.8
44F81.7Confident82.3Confident177 Ų17775.4 Ų75.478%0.77639%0.385SS*.THydrogen-bonded Turntrans-101.815.8178.9-58.7-78.7000113N42 R46N42-F44 PolarHBondContact O-N 2.94Å; N42-F44 VanDerWaalsContact OD1-CA 3.24Å; N42-F44 WeakPolarHBondContact OD1-CA 3.38Å; N42-F44 WeakPolarHBondContact OD1-CB 3.47Å; N42-F44 PolarHBondContact OD1-N 3.29Å; F44-R46 VanDerWaalsContact C-N 3.25Å; F44-R46 PolarHBondContact O-N 3.47Å
45G77.8Confident82.8Confident44 Ų4482 Ų8245%0.45441%0.413SS..SBendtrans73.5-1.5177.700000116.8N42N42-G45 PolarHBondContact O-N 3.12Å; N42-G45 PolarHBondContact OD1-N 3.42Å
46R82Confident83.1Confident186 Ų18682 Ų8270%0.70242%0.419SS*.  trans-74138.7178.1-55-174.6180179.6-1.1111.1R41 N42 F44 V48R41-R46 CarbonylContact C-O 3.6Å; R41-R46 WeakPolarHBondContact CA-O 3.42Å; N42-R46 PolarHBondContact N-O 3.22Å; N42-R46 PolarHBondContact OD1-N 3.01Å; F44-R46 VanDerWaalsContact C-N 3.25Å; F44-R46 PolarHBondContact O-N 3.47Å; R46-V48 PolarHBondContact O-N 3.21Å
47Q81.6Confident83.5Confident149 Ų14978.9 Ų78.970%0.69640%0.399SS*.EExtended strand (participates in β ladder)trans-66.5127.3173.2-75.8-179-29.700110.5G40G40-Q47 WeakPolarHBondContact O-CA 3.47Å
48V79.3Confident83.9Confident36 Ų3678.3 Ų78.322%0.21840%0.396CS..EExtended strand (participates in β ladder)trans-140142.4177-69.60000109.4G40 N42 R46 Q50G40-V48 PolarHBondContact N-O 2.84Å; G40-V48 PolarHBondContact O-N 3.5Å; G40-V48 VanDerWaalsContact O-O 3.13Å; N42-V48 HydrophobicContact CB-CG2 4.07Å; R46-V48 PolarHBondContact O-N 3.21Å; V48-Q50 HydrophobicContact CG2-CG 3.89Å; V48-Q50 PolarHBondContact O-N 3Å
49Q82.1Confident84.4Confident99 Ų9982.1 Ų82.146%0.46341%0.406SS..EExtended strand (participates in β ladder)trans-72.8119169.2-72.1-173.9-3.400109P37 L289P37-Q49 HydrophobicContact CB-CB 4.32Å; Q49-L289 HydrophobicContact CB-CB 4.07Å; Q49-L289 HydrophobicContact CB-CD2 4.06Å; Q49-L289 WeakPolarHBondContact O-CB 3.47Å; Q49-L289 PolarHBondContact O-N 2.66Å
50Q82.9Confident84.8Confident51 Ų5177.6 Ų77.624%0.23838%0.381CS..EExtended strand (participates in β ladder)trans-108.7133.5-178.3-65.6-176.1-21.400109.7P37 T38 R41 V48 R287P37-Q50 WeakPolarHBondContact CA-O 3.46Å; T38-Q50 PolarHBondContact N-O 3.13Å; T38-Q50 PolarHBondContact O-N 2.91Å; R41-Q50 PolarHBondContact O-NE2 3.39Å; R41-Q50 VanDerWaalsContact O-NE2 3.15Å; V48-Q50 HydrophobicContact CG2-CG 3.89Å; V48-Q50 PolarHBondContact O-N 3Å; Q50-R287 WeakPolarHBondContact CA-O 3.05Å
51L84.6Confident85.3Confident11 Ų1177 Ų776%0.05837%0.374CS..EExtended strand (participates in β ladder)trans-76.6151.4171.2-62.5172.1000109.3E33 P37 G53 R287 L289 F302E33-L51 WeakPolarHBondContact OE2-CD1 3.37Å; E33-L51 WeakPolarHBondContact OE2-CD2 3.26Å; P37-L51 HydrophobicContact CB-CD2 4.22Å; L51-G53 PolarHBondContact O-N 2.99Å; L51-R287 HydrophobicContact CB-CB 3.71Å; L51-R287 HydrophobicContact CD1-CB 4.32Å; L51-R287 HydrophobicContact CG-CB 4.5Å; L51-R287 PolarHBondContact N-O 3.42Å; L51-L289 HydrophobicContact CD2-CD1 4.02Å; L51-L289 HydrophobicContact CG-CD1 4.47Å; L51-F302 HydrophobicContact CD2-CE1 4.27Å; L51-F302 HydrophobicContact CD2-CE2 4.39Å; L51-F302 HydrophobicContact CD2-CZ 3.54Å
52P85.4Confident85.9Confident15 Ų1571 Ų7110%0.09736%0.356CS..  trans-60.2133.8-179.94.3-3.3000110.7L35 A56 Y57 R287L35-P52 HydrophobicContact CB-CB 4.31Å; L35-P52 HydrophobicContact CB-CG 3.4Å; L35-P52 VanDerWaalsContact CB-CG 3.4Å; L35-P52 HydrophobicContact CD1-CB 3.95Å; L35-P52 HydrophobicContact CD1-CG 3.93Å; L35-P52 HydrophobicContact CG-CG 4.3Å; P52-A56 HydrophobicContact CB-CB 3.7Å; P52-Y57 HydrophobicContact CB-CD2 4.01Å; P52-Y57 HydrophobicContact CB-CE2 4.1Å; P52-Y57 HydrophobicContact CG-CD2 4.22Å; P52-Y57 HydrophobicContact CG-CE2 3.83Å; P52-R287 PolarHBondContact O-NH1 3.38Å; P52-R287 VanDerWaalsContact O-NH1 3.09Å
53G87.3Confident86.7Confident20 Ų2078.3 Ų78.321%0.20639%0.386CS..  trans-73.6177.3176.800000112.8L51 F55 A56 Y57 L284L51-G53 PolarHBondContact O-N 2.99Å; G53-F55 VanDerWaalsContact C-N 3.31Å; G53-F55 PolarHBondContact O-N 2.92Å; G53-A56 PolarHBondContact O-N 3.03Å; G53-A56 VanDerWaalsContact O-N 3.13Å; G53-Y57 PolarHBondContact O-N 3.16Å; G53-L284 CarbonylContact C-O 3.55Å; G53-L284 WeakPolarHBondContact CA-O 3.42Å
54L90.7Very high87.3Confident12 Ų1272.9 Ų72.96%0.06336%0.357CS..Hα-helixtrans-44.7-50.4180-176.870.5000113.6V21 I24 A56 Y57 A58 L284 F285V21-L54 HydrophobicContact CG1-CD1 4.32Å; V21-L54 HydrophobicContact CG1-CD2 4.4Å; V21-L54 HydrophobicContact CG2-CD2 4.26Å; I24-L54 HydrophobicContact CB-CD1 3.82Å; I24-L54 HydrophobicContact CD1-CD1 3.58Å; I24-L54 HydrophobicContact CD1-CG 4.29Å; I24-L54 HydrophobicContact CG1-CD1 4.31Å; I24-L54 HydrophobicContact CG2-CD1 3.76Å; L54-A56 PolarHBondContact O-N 3.29Å; L54-Y57 PolarHBondContact O-N 3.21Å; L54-A58 WeakPolarHBondContact O-CB 3.08Å; L54-A58 PolarHBondContact O-N 3.47Å; L54-L284 HydrophobicContact CB-CB 4.32Å; L54-L284 HydrophobicContact CD1-CB 4.4Å; L54-L284 HydrophobicContact CD1-CD1 4.24Å; L54-L284 PolarHBondContact N-O 2.7Å; L54-F285 HydrophobicContact CB-CD1 4.29Å; L54-F285 HydrophobicContact CB-CE1 4.11Å; L54-F285 HydrophobicContact CD2-CE1 3.72Å; L54-F285 HydrophobicContact CD2-CZ 3.66Å
55F91.4Very high87.6Confident152 Ų15266.8 Ų66.867%0.66733%0.333SS*.Hα-helixtrans-69.3-34.4-174.9-60.7-68.4000113.5G53 A58 K59 F285G53-F55 VanDerWaalsContact C-N 3.31Å; G53-F55 PolarHBondContact O-N 2.92Å; F55-A58 PolarHBondContact O-N 2.81Å; F55-K59 WeakPolarHBondContact O-CB 3.5Å; F55-K59 PolarHBondContact O-N 3.43Å; F55-F285 HydrophobicContact CD2-CE1 4.42Å; F55-F285 HydrophobicContact CE2-CD1 4.14Å; F55-F285 AromaticContact CE2-CE1 3.67Å; F55-F285 HydrophobicContact CE2-CE1 3.67Å; F55-F285 HydrophobicContact CZ-CE1 4.04Å
56A90.6Very high88.2Confident42 Ų4266.1 Ų66.135%0.34733%0.326SS..Hα-helixtrans-66.9-42.2175.900000110.7L35 P52 G53 L54 K59 H60L35-A56 HydrophobicContact CD1-CB 4.29Å; P52-A56 HydrophobicContact CB-CB 3.7Å; G53-A56 PolarHBondContact O-N 3.03Å; G53-A56 VanDerWaalsContact O-N 3.13Å; L54-A56 PolarHBondContact O-N 3.29Å; A56-K59 PolarHBondContact O-N 2.97Å; A56-H60 WeakPolarHBondContact O-CB 3.32Å; A56-H60 PolarHBondContact O-N 2.87Å
57Y90.3Very high88.6Confident2 Ų265.2 Ų65.21%0.00833%0.327CS..Hα-helixtrans-62.2-45.9171.5-97.3-110.3000112.3I24 I28 H32 E33 P34 P52 G53 L54 K59 H60 I61 R287I24-Y57 HydrophobicContact CG2-CD1 4.05Å; I24-Y57 HydrophobicContact CG2-CG 4.07Å; I28-Y57 HydrophobicContact CG1-CD1 4.48Å; I28-Y57 HydrophobicContact CG1-CE1 3.99Å; H32-Y57 WeakPolarHBondContact O-CE1 3.1Å; H32-Y57 PolarHBondContact O-OH 3.4Å; E33-Y57 VanDerWaalsContact CA-OH 3.28Å; E33-Y57 WeakPolarHBondContact CA-OH 3.4Å; P34-Y57 HydrophobicContact CG-CE1 4.23Å; P52-Y57 HydrophobicContact CB-CD2 4.01Å; P52-Y57 HydrophobicContact CB-CE2 4.1Å; P52-Y57 HydrophobicContact CG-CD2 4.22Å; P52-Y57 HydrophobicContact CG-CE2 3.83Å; G53-Y57 PolarHBondContact O-N 3.16Å; L54-Y57 PolarHBondContact O-N 3.21Å; Y57-K59 VanDerWaalsContact C-N 3.33Å; Y57-K59 PolarHBondContact O-N 3.01Å; Y57-H60 WeakPolarHBondContact O-CB 3.37Å; Y57-H60 PolarHBondContact O-N 3.31Å; Y57-H60 VanDerWaalsContact O-N 3.12Å; Y57-I61 WeakPolarHBondContact O-CG1 3.45Å; Y57-I61 PolarHBondContact O-N 3.45Å; Y57-R287 PolarHBondContact OH-NH1 2.92Å; Y57-R287 PolarHBondContact OH-NH2 2.77Å
58A92.4Very high88.9Confident18 Ų1861.9 Ų61.915%0.14933%0.325CS..Hα-helixtrans-58.6-46.2177.800000111.4I24 L54 F55 H60 I61 I62I24-A58 HydrophobicContact CD1-CB 3.65Å; L54-A58 WeakPolarHBondContact O-CB 3.08Å; L54-A58 PolarHBondContact O-N 3.47Å; F55-A58 PolarHBondContact O-N 2.81Å; A58-H60 VanDerWaalsContact C-N 3.28Å; A58-H60 PolarHBondContact O-N 2.97Å; A58-I61 PolarHBondContact O-N 3.36Å; A58-I62 VanDerWaalsContact O-CG1 3.26Å; A58-I62 WeakPolarHBondContact O-CG1 3.22Å; A58-I62 PolarHBondContact O-N 3.31Å
59K93.5Very high89.3Confident163 Ų16360.3 Ų60.371%0.70932%0.316SS*.Hα-helixtrans-61.1-38176.2-173.1177.4-178.7178.40111.8F55 A56 Y57 K63F55-K59 WeakPolarHBondContact O-CB 3.5Å; F55-K59 PolarHBondContact O-N 3.43Å; A56-K59 PolarHBondContact O-N 2.97Å; Y57-K59 VanDerWaalsContact C-N 3.33Å; Y57-K59 PolarHBondContact O-N 3.01Å; K59-K63 WeakPolarHBondContact O-CB 3.23Å; K59-K63 PolarHBondContact O-N 3.38Å
60H91Very high89.7Confident38 Ų3856.5 Ų56.518%0.17630%0.299CS..Hα-helixtrans-64.7-46.9176-177.973.1000112.1L35 A56 Y57 A58 I62 K63 I64L35-H60 HydrophobicContact CD1-CB 4.19Å; A56-H60 WeakPolarHBondContact O-CB 3.32Å; A56-H60 PolarHBondContact O-N 2.87Å; Y57-H60 WeakPolarHBondContact O-CB 3.37Å; Y57-H60 PolarHBondContact O-N 3.31Å; Y57-H60 VanDerWaalsContact O-N 3.12Å; A58-H60 VanDerWaalsContact C-N 3.28Å; A58-H60 PolarHBondContact O-N 2.97Å; H60-I62 PolarHBondContact O-N 2.96Å; H60-K63 WeakPolarHBondContact O-CB 3.47Å; H60-K63 PolarHBondContact O-N 3.44Å; H60-I64 VanDerWaalsContact CE1-CD1 3.46Å; H60-I64 WeakPolarHBondContact CE1-CD1 3.48Å; H60-I64 WeakPolarHBondContact NE2-CD1 3.34Å; H60-I64 WeakPolarHBondContact O-CG1 3.15Å; H60-I64 PolarHBondContact O-N 2.92Å
61I90.8Very high90.1Very high1 Ų158.8 Ų58.81%0.00531%0.306CS..Hα-helixtrans-60.9-47176.2-64.2166.7000110.4Y23 I24 L27 Y57 A58 K63 I64 D65 L70 F150Y23-I61 HydrophobicContact CD1-CD1 4.32Å; Y23-I61 HydrophobicContact CE1-CD1 4.09Å; Y23-I61 HydrophobicContact CE1-CG2 4.05Å; I24-I61 HydrophobicContact CG1-CD1 3.72Å; L27-I61 HydrophobicContact CD1-CD1 3.98Å; Y57-I61 WeakPolarHBondContact O-CG1 3.45Å; Y57-I61 PolarHBondContact O-N 3.45Å; A58-I61 PolarHBondContact O-N 3.36Å; I61-K63 PolarHBondContact O-N 2.96Å; I61-I64 PolarHBondContact O-N 3.09Å; I61-D65 PolarHBondContact O-N 3.37Å; I61-L70 HydrophobicContact CB-CD2 4.11Å; I61-L70 HydrophobicContact CD1-CD2 4.14Å; I61-L70 HydrophobicContact CG2-CD2 3.89Å; I61-L70 HydrophobicContact CG2-CG 4.3Å; I61-F150 HydrophobicContact CB-CE2 4.5Å; I61-F150 HydrophobicContact CB-CZ 4.38Å; I61-F150 HydrophobicContact CG1-CE1 4.2Å; I61-F150 HydrophobicContact CG1-CE2 4.3Å; I61-F150 HydrophobicContact CG1-CZ 3.86Å; I61-F150 HydrophobicContact CG2-CE2 4.18Å
62I93.8Very high90.3Very high64 Ų6460.7 Ų60.733%0.32832%0.316SS..Hα-helixtrans-60.4-35.9178.1-66.8165.6000111.5A58 H60 I64 G66 K67 L70A58-I62 VanDerWaalsContact O-CG1 3.26Å; A58-I62 WeakPolarHBondContact O-CG1 3.22Å; A58-I62 PolarHBondContact O-N 3.31Å; H60-I62 PolarHBondContact O-N 2.96Å; I62-I64 VanDerWaalsContact C-N 3.26Å; I62-I64 PolarHBondContact O-N 3.02Å; I62-G66 WeakPolarHBondContact CA-O 3.3Å; I62-G66 WeakPolarHBondContact O-CA 3.33Å; I62-G66 PolarHBondContact O-N 3.34Å; I62-K67 HydrophobicContact CG2-CG 4.12Å; I62-L70 HydrophobicContact CD1-CD1 3.73Å; I62-L70 HydrophobicContact CG1-CD1 3.65Å; I62-L70 HydrophobicContact CG1-CG 4.05Å
63K93.4Very high90.4Very high184 Ų18460.2 Ų60.280%0.831%0.314SS*.Hα-helixtrans-66.3-30.6177.2-174.2178.9177.9-1760112.2K59 H60 I61K59-K63 WeakPolarHBondContact O-CB 3.23Å; K59-K63 PolarHBondContact O-N 3.38Å; H60-K63 WeakPolarHBondContact O-CB 3.47Å; H60-K63 PolarHBondContact O-N 3.44Å; I61-K63 PolarHBondContact O-N 2.96Å
64I89.9Confident90.7Very high66 Ų6660.7 Ų60.734%0.33831%0.312SS..Hα-helixtrans-91.2-51.2-174.9-67.4171.9000111.5H60 I61 I62 F150H60-I64 VanDerWaalsContact CE1-CD1 3.46Å; H60-I64 WeakPolarHBondContact CE1-CD1 3.48Å; H60-I64 WeakPolarHBondContact NE2-CD1 3.34Å; H60-I64 WeakPolarHBondContact O-CG1 3.15Å; H60-I64 PolarHBondContact O-N 2.92Å; I61-I64 PolarHBondContact O-N 3.09Å; I62-I64 VanDerWaalsContact C-N 3.26Å; I62-I64 PolarHBondContact O-N 3.02Å; I64-F150 HydrophobicContact CB-CE2 4.27Å; I64-F150 HydrophobicContact CB-CZ 4.39Å; I64-F150 HydrophobicContact CD1-CZ 3.93Å; I64-F150 HydrophobicContact CG2-CE2 4.04Å; I64-F150 HydrophobicContact CG2-CZ 4.4Å
65D88.1Confident90.7Very high49 Ų4960.4 Ų60.426%0.26231%0.312SS..Hα-helixtrans-112.98.4-173.2-73.9-26.3000113.9I61 G69 F150 R153I61-D65 PolarHBondContact O-N 3.37Å; D65-G69 PolarHBondContact O-N 3.2Å; D65-F150 WeakPolarHBondContact OD2-CD2 3.42Å; D65-F150 VanDerWaalsContact OD2-CE2 3.27Å; D65-F150 WeakPolarHBondContact OD2-CE2 3.29Å; D65-R153 IonicContact OD1-CZ 2.79Å; D65-R153 IonicContact OD1-NH1 3Å; D65-R153 PolarHBondContact OD1-NH1 2.74Å; D65-R153 IonicContact OD1-NH2 3.2Å; D65-R153 PolarHBondContact OD1-NH2 3.08Å; D65-R153 IonicContact OD2-NH1 2.84Å; D65-R153 PolarHBondContact OD2-NH1 3.44Å
66G91.2Very high90.8Very high31 Ų3153.2 Ų53.232%0.3228%0.281SS..Hα-helixtrans68.7-174.1-174.400000112.8I62 A68 G69I62-G66 WeakPolarHBondContact CA-O 3.3Å; I62-G66 WeakPolarHBondContact O-CA 3.33Å; I62-G66 PolarHBondContact O-N 3.34Å; G66-A68 VanDerWaalsContact C-N 3.3Å; G66-A68 PolarHBondContact O-N 3.15Å; G66-G69 PolarHBondContact O-N 3.41Å
67K90.3Very high90.9Very high167 Ų16753.8 Ų53.873%0.72627%0.274SS*.Hα-helixtrans-66.8-31.6-178.2-63.8-179-177.5178.80112.7I62 G69 L70I62-K67 HydrophobicContact CG2-CG 4.12Å; K67-G69 VanDerWaalsContact C-N 3.3Å; K67-G69 PolarHBondContact O-N 3.22Å; K67-L70 PolarHBondContact O-N 3.19Å
68A88.3Confident91.1Very high79 Ų7955.9 Ų55.965%0.65329%0.285SS*.Hα-helixtrans-67.6-30.4178.300000112.4G66 L70 Y71G66-A68 VanDerWaalsContact C-N 3.3Å; G66-A68 PolarHBondContact O-N 3.15Å; A68-L70 PolarHBondContact O-N 2.92Å; A68-L70 VanDerWaalsContact O-N 3.16Å; A68-Y71 PolarHBondContact O-N 2.82Å
69G86.7Confident91.1Very high3 Ų357 Ų573%0.03129%0.291CS..Hα-helixtrans-59.3-26.9178.300000114.3Y23 D65 G66 K67 Y71 N72Y23-G69 VanDerWaalsContact CE1-O 3.26Å; Y23-G69 WeakPolarHBondContact CE1-O 3.5Å; D65-G69 PolarHBondContact O-N 3.2Å; G66-G69 PolarHBondContact O-N 3.41Å; K67-G69 VanDerWaalsContact C-N 3.3Å; K67-G69 PolarHBondContact O-N 3.22Å; G69-Y71 PolarHBondContact O-N 3.39Å; G69-Y71 VanDerWaalsContact O-N 3.1Å; G69-N72 WeakPolarHBondContact O-CB 3.21Å; G69-N72 PolarHBondContact O-N 3.07Å; G69-N72 PolarHBondContact O-ND2 3.03Å
70L90.6Very high91.1Very high18 Ų1850 Ų509%0.09426%0.264CS..THydrogen-bonded Turntrans-64.5-12.7175.2-77.9176.1000114H19 P20 Y23 I61 I62 K67 A68H19-L70 PolarHBondContact CD2-O 3.2Å; P20-L70 HydrophobicContact CB-CB 4.28Å; P20-L70 HydrophobicContact CB-CD1 4.37Å; P20-L70 HydrophobicContact CB-CD2 4.29Å; P20-L70 HydrophobicContact CG-CB 4.32Å; Y23-L70 HydrophobicContact CD1-CD2 4.5Å; I61-L70 HydrophobicContact CB-CD2 4.11Å; I61-L70 HydrophobicContact CD1-CD2 4.14Å; I61-L70 HydrophobicContact CG2-CD2 3.89Å; I61-L70 HydrophobicContact CG2-CG 4.3Å; I62-L70 HydrophobicContact CD1-CD1 3.73Å; I62-L70 HydrophobicContact CG1-CD1 3.65Å; I62-L70 HydrophobicContact CG1-CG 4.05Å; K67-L70 PolarHBondContact O-N 3.19Å; A68-L70 PolarHBondContact O-N 2.92Å; A68-L70 VanDerWaalsContact O-N 3.16Å
71Y91.3Very high91.1Very high99 Ų9949.7 Ų49.739%0.38827%0.271SS..THydrogen-bonded Turntrans-10815.8-178.8-62.5-82.9000113.1V16 H19 P20 A68 G69 G73 L74V16-Y71 HydrophobicContact CG1-CE1 4.17Å; H19-Y71 HydrophobicContact CB-CD1 4.31Å; P20-Y71 HydrophobicContact CG-CE1 4.09Å; A68-Y71 PolarHBondContact O-N 2.82Å; G69-Y71 PolarHBondContact O-N 3.39Å; G69-Y71 VanDerWaalsContact O-N 3.1Å; Y71-G73 PolarHBondContact O-N 2.67Å; Y71-L74 HydrophobicContact CD1-CD2 3.92Å; Y71-L74 WeakPolarHBondContact O-CB 3.45Å; Y71-L74 PolarHBondContact O-N 3.48Å
72N88.6Confident91.2Very high51 Ų5151.2 Ų51.227%0.27328%0.284SS..THydrogen-bonded Turntrans-61.5123.8174.1-80.9-21.9000111.6H19 Y23 G69H19-N72 PolarHBondContact NE2-O 3.24Å; Y23-N72 HydrophobicContact CE1-CB 4.45Å; G69-N72 WeakPolarHBondContact O-CB 3.21Å; G69-N72 PolarHBondContact O-N 3.07Å; G69-N72 PolarHBondContact O-ND2 3.03Å
73G89.3Confident91.2Very high6 Ų651 Ų516%0.06228%0.283CS..THydrogen-bonded Turntrans84.14.9-175.100000114.5Y71 G75 R77Y71-G73 PolarHBondContact O-N 2.67Å; G73-G75 VanDerWaalsContact C-N 3.32Å; G73-G75 PolarHBondContact O-N 2.87Å; G73-R77 WeakPolarHBondContact O-CB 3.38Å; G73-R77 PolarHBondContact O-N 3.14Å
74L92Very high91.3Very high29 Ų2942.8 Ų42.815%0.15225%0.251CS..Hα-helixtrans-59.9-42.4176.8175.664.7000112.1T15 V16 H19 Y71 R77 L78T15-L74 HydrophobicContact CG2-CD1 4.26Å; V16-L74 HydrophobicContact CG2-CD1 4.11Å; V16-L74 HydrophobicContact CG2-CD2 4.18Å; H19-L74 HydrophobicContact CB-CD1 3.97Å; H19-L74 WeakPolarHBondContact CE1-CA 3.05Å; H19-L74 PolarHBondContact CE1-N 3.42Å; Y71-L74 HydrophobicContact CD1-CD2 3.92Å; Y71-L74 WeakPolarHBondContact O-CB 3.45Å; Y71-L74 PolarHBondContact O-N 3.48Å; L74-R77 WeakPolarHBondContact O-CB 3.39Å; L74-R77 PolarHBondContact O-N 3.01Å; L74-L78 HydrophobicContact CD1-CD1 4.12Å; L74-L78 HydrophobicContact CD1-CD2 4.31Å; L74-L78 HydrophobicContact CD1-CG 3.96Å; L74-L78 HydrophobicContact CD2-CD1 4.3Å; L74-L78 HydrophobicContact CG-CD1 3.87Å; L74-L78 HydrophobicContact CG-CG 4.15Å; L74-L78 WeakPolarHBondContact O-CG 3.48Å; L74-L78 PolarHBondContact O-N 3.2Å
75G91.5Very high91.4Very high7 Ų741.5 Ų41.57%0.07225%0.246CC..Hα-helixtrans-59.6-58.1-175.500000115.2G73 R77 L78 C79 F159G73-G75 VanDerWaalsContact C-N 3.32Å; G73-G75 PolarHBondContact O-N 2.87Å; G75-R77 PolarHBondContact O-N 3.11Å; G75-L78 PolarHBondContact O-N 2.98Å; G75-C79 PolarHBondContact O-N 3.23Å; G75-C79 PolarHBondContact O-SG 3.01Å; G75-F159 VanDerWaalsContact CA-CD2 3.43Å
76P92.4Very high91.7Very high1 Ų142.6 Ų42.61%0.00625%0.254CS..Hα-helixtrans-57.1-32.8175.7-2434000112.1C79 A80 I142P76-C79 PolarHBondContact O-N 3.38Å; P76-A80 WeakPolarHBondContact O-CB 3.15Å; P76-A80 PolarHBondContact O-N 3.49Å; P76-I142 HydrophobicContact CB-CB 4.31Å; P76-I142 HydrophobicContact CB-CG2 4Å; P76-I142 HydrophobicContact CG-CG2 3.75Å
77R93.3Very high91.8Very high53 Ų5342.1 Ų42.120%0.225%0.245CC..Hα-helixtrans-67.4-38.8175.6-169.3177.4172.6-163.9-11.2113.1T15 S18 H19 G73 L74 G75 A80 G81 T143T15-R77 HydrophobicContact CG2-CG 3.86Å; S18-R77 PolarHBondContact OG-NH2 2.97Å; H19-R77 PolarHBondContact ND1-NH1 3.26Å; G73-R77 WeakPolarHBondContact O-CB 3.38Å; G73-R77 PolarHBondContact O-N 3.14Å; L74-R77 WeakPolarHBondContact O-CB 3.39Å; L74-R77 PolarHBondContact O-N 3.01Å; G75-R77 PolarHBondContact O-N 3.11Å; R77-A80 PolarHBondContact O-N 3.34Å; R77-G81 PolarHBondContact O-N 2.99Å; R77-T143 HydrophobicContact CB-CG2 3.91Å; R77-T143 HydrophobicContact CG-CG2 4.41Å; R77-T143 PolarHBondContact N-OG1 3.3Å
78L94.1Very high92Very high47 Ų4736.3 Ų36.325%0.24622%0.22CC..Hα-helixtrans-66.7-43.2174.4-70.8174.3000111.1T15 V16 L74 G75 A80 G81 A82T15-L78 HydrophobicContact CG2-CD2 3.87Å; V16-L78 HydrophobicContact CG2-CD1 4.47Å; V16-L78 HydrophobicContact CG2-CD2 4.22Å; L74-L78 HydrophobicContact CD1-CD1 4.12Å; L74-L78 HydrophobicContact CD1-CD2 4.31Å; L74-L78 HydrophobicContact CD1-CG 3.96Å; L74-L78 HydrophobicContact CD2-CD1 4.3Å; L74-L78 HydrophobicContact CG-CD1 3.87Å; L74-L78 HydrophobicContact CG-CG 4.15Å; L74-L78 WeakPolarHBondContact O-CG 3.48Å; L74-L78 PolarHBondContact O-N 3.2Å; G75-L78 PolarHBondContact O-N 2.98Å; L78-A80 VanDerWaalsContact C-N 3.34Å; L78-A80 PolarHBondContact O-N 3.38Å; L78-G81 PolarHBondContact O-N 3.01Å; L78-A82 PolarHBondContact O-N 3.43Å
79C92.6Very high92.1Very high41 Ų4133.7 Ų33.728%0.27720%0.197SC..Hα-helixtrans-58.3-46.2173.5-63.80000111.3G75 P76 G81 A82 I83 F139G75-C79 PolarHBondContact O-N 3.23Å; G75-C79 PolarHBondContact O-SG 3.01Å; P76-C79 PolarHBondContact O-N 3.38Å; C79-G81 VanDerWaalsContact C-N 3.33Å; C79-G81 PolarHBondContact O-N 3.31Å; C79-A82 PolarHBondContact O-N 3.36Å; C79-I83 WeakPolarHBondContact O-CB 3.36Å; C79-I83 VanDerWaalsContact O-CG1 3.3Å; C79-I83 WeakPolarHBondContact O-CG1 3.4Å; C79-I83 PolarHBondContact O-N 3.48Å; C79-F139 HydrophobicContact CB-CD1 3.9Å; C79-F139 HydrophobicContact CB-CE1 3.97Å
80A93.1Very high92.4Very high16 Ų1636.5 Ų36.513%0.13221%0.214CC..Hα-helixtrans-58.1-44.1175.400000112P76 R77 L78 G84 T136 F139P76-A80 WeakPolarHBondContact O-CB 3.15Å; P76-A80 PolarHBondContact O-N 3.49Å; R77-A80 PolarHBondContact O-N 3.34Å; L78-A80 VanDerWaalsContact C-N 3.34Å; L78-A80 PolarHBondContact O-N 3.38Å; A80-G84 WeakPolarHBondContact O-CA 3.47Å; A80-G84 PolarHBondContact O-N 3.41Å; A80-T136 VanDerWaalsContact O-CG2 3.25Å; A80-T136 WeakPolarHBondContact O-CG2 3.26Å; A80-F139 HydrophobicContact CB-CB 3.71Å
81G92.5Very high92.6Very high32 Ų3237 Ų3733%0.3322%0.217SC..Hα-helixtrans-65.1-44.6179.200000113.1R77 L78 C79 T85R77-G81 PolarHBondContact O-N 2.99Å; L78-G81 PolarHBondContact O-N 3.01Å; C79-G81 VanDerWaalsContact C-N 3.33Å; C79-G81 PolarHBondContact O-N 3.31Å; G81-T85 WeakPolarHBondContact O-CB 3.49Å; G81-T85 PolarHBondContact O-N 3.44Å; G81-T85 PolarHBondContact O-OG1 3.41Å
82A92.7Very high92.6Very high33 Ų3337.4 Ų37.427%0.27322%0.218SC..Hα-helixtrans-64.7-52.3178.100000111.5V8 L78 C79 G84 T85 V86V8-A82 HydrophobicContact CG1-CB 4.1Å; L78-A82 PolarHBondContact O-N 3.43Å; C79-A82 PolarHBondContact O-N 3.36Å; A82-G84 VanDerWaalsContact C-N 3.34Å; A82-G84 PolarHBondContact O-N 3.18Å; A82-T85 PolarHBondContact O-N 2.65Å; A82-V86 WeakPolarHBondContact O-CG2 3.24Å; A82-V86 PolarHBondContact O-N 3.34Å; A82-V86 VanDerWaalsContact O-N 3.09Å
83I93.8Very high92.6Very high59 Ų5940 Ų4030%0.30323%0.229SC..Hα-helixtrans-62.4-43.4179.2-65.3167000110.3C79 T85 V86 V87 I135 T136 F139C79-I83 WeakPolarHBondContact O-CB 3.36Å; C79-I83 VanDerWaalsContact O-CG1 3.3Å; C79-I83 WeakPolarHBondContact O-CG1 3.4Å; C79-I83 PolarHBondContact O-N 3.48Å; I83-T85 VanDerWaalsContact C-N 3.34Å; I83-T85 PolarHBondContact O-N 2.86Å; I83-V86 PolarHBondContact O-N 2.93Å; I83-V87 HydrophobicContact CG2-CG2 4.02Å; I83-V87 WeakPolarHBondContact O-CB 3.15Å; I83-V87 VanDerWaalsContact O-CG2 3.26Å; I83-V87 WeakPolarHBondContact O-CG2 3.45Å; I83-V87 PolarHBondContact O-N 3.21Å; I83-I135 HydrophobicContact CG2-CG2 3.83Å; I83-T136 HydrophobicContact CB-CG2 4.29Å; I83-T136 HydrophobicContact CG2-CG2 4.14Å; I83-F139 HydrophobicContact CD1-CD2 4.27Å; I83-F139 HydrophobicContact CD1-CE1 4.49Å; I83-F139 HydrophobicContact CD1-CE2 3.52Å; I83-F139 HydrophobicContact CD1-CZ 3.65Å
84G94.2Very high92.7Very high12 Ų1244.2 Ų44.212%0.12425%0.249CC..Hα-helixtrans-60.6-41.6179.100000112.8A80 A82 H88 T136A80-G84 WeakPolarHBondContact O-CA 3.47Å; A80-G84 PolarHBondContact O-N 3.41Å; A82-G84 VanDerWaalsContact C-N 3.34Å; A82-G84 PolarHBondContact O-N 3.18Å; G84-H88 WeakPolarHBondContact O-CB 3.4Å; G84-H88 PolarHBondContact O-N 2.86Å; G84-T136 VanDerWaalsContact CA-CG2 3.42Å
85T92.9Very high92.5Very high39 Ų3943.9 Ų43.924%0.23925%0.249CC..Hα-helixtrans-65.8-44.8177.2-55.60000111.2T4 Q7 V8 G81 A82 I83 S89T4-T85 HydrophobicContact CG2-CG2 4.48Å; Q7-T85 HydrophobicContact CB-CG2 4.21Å; V8-T85 HydrophobicContact CG2-CG2 3.9Å; G81-T85 WeakPolarHBondContact O-CB 3.49Å; G81-T85 PolarHBondContact O-N 3.44Å; G81-T85 PolarHBondContact O-OG1 3.41Å; A82-T85 PolarHBondContact O-N 2.65Å; I83-T85 VanDerWaalsContact C-N 3.34Å; I83-T85 PolarHBondContact O-N 2.86Å; T85-S89 WeakPolarHBondContact O-CB 3.45Å; T85-S89 PolarHBondContact O-N 3.4Å; T85-S89 PolarHBondContact O-OG 2.91Å
86V93.6Very high92.2Very high72 Ų7248.3 Ų48.344%0.43627%0.268SS..Hα-helixtrans-62-53.7177.81740000110.2A82 I83 H88 S89 T90A82-V86 WeakPolarHBondContact O-CG2 3.24Å; A82-V86 PolarHBondContact O-N 3.34Å; A82-V86 VanDerWaalsContact O-N 3.09Å; I83-V86 PolarHBondContact O-N 2.93Å; V86-H88 PolarHBondContact O-N 2.88Å; V86-S89 PolarHBondContact O-N 3.31Å; V86-S89 PolarHBondContact O-OG 3.45Å; V86-T90 PolarHBondContact O-N 3.31Å; V86-T90 PolarHBondContact O-OG1 3.47Å; V86-T90 VanDerWaalsContact O-OG1 3.09Å
87V94.4Very high91.8Very high21 Ų2155.1 Ų55.113%0.12730%0.299CS..Hα-helixtrans-58.5-47179.8171.40000111.3I83 S89 T90 V91 A132 I135I83-V87 HydrophobicContact CG2-CG2 4.02Å; I83-V87 WeakPolarHBondContact O-CB 3.15Å; I83-V87 VanDerWaalsContact O-CG2 3.26Å; I83-V87 WeakPolarHBondContact O-CG2 3.45Å; I83-V87 PolarHBondContact O-N 3.21Å; V87-S89 VanDerWaalsContact C-N 3.33Å; V87-S89 PolarHBondContact O-N 3.19Å; V87-T90 PolarHBondContact O-N 3.28Å; V87-V91 HydrophobicContact CG1-CG2 4.05Å; V87-V91 WeakPolarHBondContact O-CB 3.31Å; V87-V91 VanDerWaalsContact O-CG2 3.25Å; V87-V91 WeakPolarHBondContact O-CG2 3.45Å; V87-V91 PolarHBondContact O-N 2.99Å; V87-A132 HydrophobicContact CB-CB 4.38Å; V87-A132 HydrophobicContact CG1-CB 4.08Å; V87-I135 HydrophobicContact CG1-CD1 3.83Å; V87-I135 HydrophobicContact CG2-CB 4.44Å; V87-I135 HydrophobicContact CG2-CD1 3.93Å; V87-I135 HydrophobicContact CG2-CG2 4.08Å
88H93.5Very high91Very high44 Ų4461 Ų6120%0.20433%0.326CS..Hα-helixtrans-58-47.2178.5176.9-86.6000111.1G84 V86 T90 R92 E125 A132G84-H88 WeakPolarHBondContact O-CB 3.4Å; G84-H88 PolarHBondContact O-N 2.86Å; V86-H88 PolarHBondContact O-N 2.88Å; H88-T90 PolarHBondContact O-N 3.41Å; H88-R92 WeakPolarHBondContact O-CB 3.13Å; H88-R92 PolarHBondContact O-N 3.45Å; H88-E125 IonicContact CD2-OE1 3.68Å; H88-E125 IonicContact CE1-OE1 2.81Å; H88-E125 IonicContact CE1-OE2 2.7Å; H88-E125 IonicContact NE2-OE1 3.45Å; H88-E125 PolarHBondContact NE2-OE1 3.29Å; H88-E125 IonicContact NE2-OE2 3.34Å; H88-E125 PolarHBondContact NE2-OE2 2.97Å; H88-A132 HydrophobicContact CB-CB 4.09Å
89S91.9Very high89.6Confident24 Ų2461.8 Ų61.817%0.16834%0.336CS..Hα-helixtrans-62.2-43.9179.172.40000112.6T85 V86 V87 R92 Q93T85-S89 WeakPolarHBondContact O-CB 3.45Å; T85-S89 PolarHBondContact O-N 3.4Å; T85-S89 PolarHBondContact O-OG 2.91Å; V86-S89 PolarHBondContact O-N 3.31Å; V86-S89 PolarHBondContact O-OG 3.45Å; V87-S89 VanDerWaalsContact C-N 3.33Å; V87-S89 PolarHBondContact O-N 3.19Å; S89-R92 PolarHBondContact O-N 3.15Å; S89-Q93 VanDerWaalsContact O-CG 3.31Å; S89-Q93 WeakPolarHBondContact O-CG 3.31Å; S89-Q93 PolarHBondContact O-N 3.39Å
90T92.5Very high87.7Confident62 Ų6264.7 Ų64.738%0.3836%0.357SS..Hα-helixtrans-67.2-47.4179.3-56.70000111.7V86 V87 H88 R92 Q93 I94V86-T90 PolarHBondContact O-N 3.31Å; V86-T90 PolarHBondContact O-OG1 3.47Å; V86-T90 VanDerWaalsContact O-OG1 3.09Å; V87-T90 PolarHBondContact O-N 3.28Å; H88-T90 PolarHBondContact O-N 3.41Å; T90-R92 VanDerWaalsContact C-N 3.29Å; T90-R92 PolarHBondContact O-N 3.29Å; T90-Q93 PolarHBondContact O-N 2.94Å; T90-I94 HydrophobicContact CG2-CD1 3.99Å; T90-I94 WeakPolarHBondContact O-CG1 3.11Å; T90-I94 PolarHBondContact O-N 3.11Å
91V93.9Very high85.7Confident28 Ų2868.3 Ų68.317%0.1738%0.379CS..Hα-helixtrans-64.8-38.3179.61770000110.6V87 I94 C95 I127 A128 C131V87-V91 HydrophobicContact CG1-CG2 4.05Å; V87-V91 WeakPolarHBondContact O-CB 3.31Å; V87-V91 VanDerWaalsContact O-CG2 3.25Å; V87-V91 WeakPolarHBondContact O-CG2 3.45Å; V87-V91 PolarHBondContact O-N 2.99Å; V91-I94 PolarHBondContact O-N 3.24Å; V91-C95 WeakPolarHBondContact O-CB 3.4Å; V91-C95 PolarHBondContact O-N 3.03Å; V91-C95 PolarHBondContact O-SG 3.17Å; V91-I127 HydrophobicContact CG1-CG2 4.1Å; V91-A128 HydrophobicContact CB-CB 4.29Å; V91-A128 HydrophobicContact CG1-CB 4.1Å; V91-C131 HydrophobicContact CG1-CB 4.28Å; V91-C131 HydrophobicContact CG2-CB 3.94Å
92R90.8Very high83.5Confident108 Ų10876.3 Ų76.341%0.40841%0.407SS..Hα-helixtrans-63.4-43175.6-176.4170.3175.7161.2-9.5112H88 S89 T90 C95 Q96 E125 A128H88-R92 WeakPolarHBondContact O-CB 3.13Å; H88-R92 PolarHBondContact O-N 3.45Å; S89-R92 PolarHBondContact O-N 3.15Å; T90-R92 VanDerWaalsContact C-N 3.29Å; T90-R92 PolarHBondContact O-N 3.29Å; R92-C95 PolarHBondContact O-N 3.45Å; R92-Q96 WeakPolarHBondContact O-CG 3.46Å; R92-Q96 PolarHBondContact O-N 3.43Å; R92-E125 IonicContact CZ-OE2 2.88Å; R92-E125 IonicContact NH1-OE2 3.73Å; R92-E125 PolarHBondContact NH1-OE2 3.18Å; R92-A128 HydrophobicContact CB-CB 4.16Å
93Q90.1Very high81.3Confident107 Ų10782.5 Ų82.550%0.544%0.435SS..Hα-helixtrans-60-48.8174.9-76.5173.4-18.700111.6S89 T90 C95 Q96 E97S89-Q93 VanDerWaalsContact O-CG 3.31Å; S89-Q93 WeakPolarHBondContact O-CG 3.31Å; S89-Q93 PolarHBondContact O-N 3.39Å; T90-Q93 PolarHBondContact O-N 2.94Å; Q93-C95 VanDerWaalsContact C-N 3.29Å; Q93-C95 PolarHBondContact O-N 3.34Å; Q93-Q96 WeakPolarHBondContact O-CB 3.38Å; Q93-Q96 PolarHBondContact O-N 3.35Å; Q93-Q96 VanDerWaalsContact O-N 3.09Å; Q93-E97 WeakPolarHBondContact O-CG 3.37Å; Q93-E97 PolarHBondContact O-N 2.62Å
94I90.6Very high78.9Confident94 Ų9485.9 Ų85.948%0.48246%0.461SS..Hα-helixtrans-58.8-41.9177.8-66.1166.3000111.2T90 V91 Q96 K98T90-I94 HydrophobicContact CG2-CD1 3.99Å; T90-I94 WeakPolarHBondContact O-CG1 3.11Å; T90-I94 PolarHBondContact O-N 3.11Å; V91-I94 PolarHBondContact O-N 3.24Å; I94-Q96 VanDerWaalsContact C-N 3.34Å; I94-K98 WeakPolarHBondContact O-CB 3.27Å; I94-K98 PolarHBondContact O-N 3.5Å; I94-K98 VanDerWaalsContact O-N 3.08Å
95C88.6Confident76.7Confident22 Ų2288.8 Ų88.815%0.14949%0.491CS..Hα-helixtrans-66.9-35.1177.8-68.30000112.6V91 R92 Q93 S99 K124V91-C95 WeakPolarHBondContact O-CB 3.4Å; V91-C95 PolarHBondContact O-N 3.03Å; V91-C95 PolarHBondContact O-SG 3.17Å; R92-C95 PolarHBondContact O-N 3.45Å; Q93-C95 VanDerWaalsContact C-N 3.29Å; Q93-C95 PolarHBondContact O-N 3.34Å; C95-S99 PolarHBondContact O-N 3.42Å; C95-S99 PolarHBondContact O-OG 3.1Å; C95-K124 HydrophobicContact CB-CB 4.28Å; C95-K124 HydrophobicContact CB-CG 4.26Å
96Q85Confident74.1Confident100 Ų10092.2 Ų92.247%0.46752%0.516SS..Hα-helixtrans-68.9-47.4176.6-75.7176.6-17.800111.4R92 Q93 I94 K98 S99 S100R92-Q96 WeakPolarHBondContact O-CG 3.46Å; R92-Q96 PolarHBondContact O-N 3.43Å; Q93-Q96 WeakPolarHBondContact O-CB 3.38Å; Q93-Q96 PolarHBondContact O-N 3.35Å; Q93-Q96 VanDerWaalsContact O-N 3.09Å; I94-Q96 VanDerWaalsContact C-N 3.34Å; Q96-K98 PolarHBondContact O-N 3.11Å; Q96-S99 PolarHBondContact O-N 2.75Å; Q96-S99 VanDerWaalsContact O-N 3.16Å; Q96-S100 PolarHBondContact O-N 3.4Å
97E82.9Confident71.8Confident144 Ų14499 Ų9967%0.67354%0.54SS*.Hα-helixtrans-59.9-44.7178.1-71.9175-179.400111.8Q93 S99 S100Q93-E97 WeakPolarHBondContact O-CG 3.37Å; Q93-E97 PolarHBondContact O-N 2.62Å; E97-S99 PolarHBondContact O-N 3.03Å; E97-S100 PolarHBondContact O-N 3.23Å; E97-S100 VanDerWaalsContact O-N 3.08Å
98K76.6Confident69.6Low176 Ų176101.5 Ų101.577%0.76556%0.557SS**Hα-helixtrans-66.4-22179.1-164.9172.8-176.21790113.7I94 Q96 S100 P101I94-K98 WeakPolarHBondContact O-CB 3.27Å; I94-K98 PolarHBondContact O-N 3.5Å; I94-K98 VanDerWaalsContact O-N 3.08Å; Q96-K98 PolarHBondContact O-N 3.11Å; K98-S100 VanDerWaalsContact C-N 3.35Å; K98-P101 WeakPolarHBondContact O-CD 3.32Å
99S64.9Low67.3Low63 Ų63107.5 Ų107.544%0.44158%0.582SS.*THydrogen-bonded Turntrans-85-9.1176.3-55.80000113.2C95 Q96 E97 K124C95-S99 PolarHBondContact O-N 3.42Å; C95-S99 PolarHBondContact O-OG 3.1Å; Q96-S99 PolarHBondContact O-N 2.75Å; Q96-S99 VanDerWaalsContact O-N 3.16Å; E97-S99 PolarHBondContact O-N 3.03Å; S99-K124 VanDerWaalsContact CB-NZ 3.34Å; S99-K124 WeakPolarHBondContact OG-CE 3.36Å; S99-K124 PolarHBondContact OG-NZ 3.5Å
100S53.5Low65.7Low103 Ų103110.7 Ų110.772%0.7261%0.61SS**  trans-94.329.7-176.3-155.10000116.9Q96 E97 K98Q96-S100 PolarHBondContact O-N 3.4Å; E97-S100 PolarHBondContact O-N 3.23Å; E97-S100 VanDerWaalsContact O-N 3.08Å; K98-S100 VanDerWaalsContact C-N 3.35Å
101P51.5Low63.9Low92 Ų92113.4 Ų113.460%0.59762%0.622SS**  trans-115.489.9158.134.4-22.2000110.6K98K98-P101 WeakPolarHBondContact O-CD 3.32Å
102Q45.3Very low62.4Low199 Ų199116.9 Ų116.993%0.9364%0.636SS**  trans-161.1137.4149.3-111.2165.485.100115.2
103L46.8Very low61.4Low164 Ų164114.8 Ų114.886%0.85963%0.633SS**  trans-63162.5-174.7-101.576.6000114.7G105L103-G105 PolarHBondContact O-N 2.94Å
104P43.9Very low60.8Low130 Ų130111.2 Ų111.284%0.84462%0.622SS**SBendtrans-78.9118.7179.732.4-30.1000110.5
105G47.3Very low60.3Low72 Ų72111.1 Ų111.174%0.74262%0.622SS**  trans159.481.5168.300000116.7L103L103-G105 PolarHBondContact O-N 2.94Å
106S37.8Very low60.1Low111 Ų111115.3 Ų115.378%0.77664%0.638SS**  trans175.2132.4136.240.80000107.9P108S106-P108 WeakPolarHBondContact O-CD 3.47Å
107K46.7Very low60Low216 Ų216113.1 Ų113.194%0.93963%0.633SS**  trans-97.8113.3176.2-73.7-177.9177179.70109.3
108P47.7Very low60.1Low73 Ų73107.6 Ų107.647%0.47461%0.609SS.*  trans-108.9169.4159.217.23.9000111.5S106 N113S106-P108 WeakPolarHBondContact O-CD 3.47Å; P108-N113 PolarHBondContact O-ND2 3.3Å
109K45.7Very low60.7Low170 Ų170100.8 Ų100.874%0.73959%0.586SS**  trans-54.3144.1-167-67.8174.8177.6176.10114.5D111 E112 N113K109-D111 VanDerWaalsContact C-N 3.35Å; K109-D111 PolarHBondContact O-N 3.21Å; K109-E112 PolarHBondContact O-N 3.21Å; K109-N113 PolarHBondContact O-N 3.47Å; K109-N113 PolarHBondContact O-ND2 2.88Å
110A57.1Low61.9Low91 Ų91103.2 Ų103.275%0.75259%0.591SS**Hα-helixtrans-57.3-35.8-169.300000115.5
111D55.4Low63.5Low119 Ų119104.6 Ų104.664%0.63659%0.586SS**Hα-helixtrans-84-34-174.5-145.614.5000112.6K109 N113 A114 L115K109-D111 VanDerWaalsContact C-N 3.35Å; K109-D111 PolarHBondContact O-N 3.21Å; D111-N113 VanDerWaalsContact C-N 3.27Å; D111-N113 PolarHBondContact O-N 3.48Å; D111-A114 PolarHBondContact O-N 2.88Å; D111-L115 PolarHBondContact O-N 3.47Å
112E61.5Low65.5Low100 Ų100100.4 Ų100.447%0.46756%0.558SS.*Hα-helixtrans-68.8-28.2177-154.9-172.914400111.9K109 K116K109-E112 PolarHBondContact O-N 3.21Å; E112-K116 WeakPolarHBondContact O-CB 3.46Å; E112-K116 WeakPolarHBondContact O-CD 3.4Å; E112-K116 VanDerWaalsContact O-CG 3.29Å; E112-K116 WeakPolarHBondContact O-CG 3.4Å; E112-K116 PolarHBondContact O-N 2.97Å; E112-K116 IonicContact OE1-NZ 2.64Å; E112-K116 PolarHBondContact OE1-NZ 3.16Å
113N71.3Confident67.7Low64 Ų6493.4 Ų93.434%0.34253%0.529SS..Hα-helixtrans-73.6-31174.9-64.3-22.1000112.4P108 K109 D111 S117P108-N113 PolarHBondContact O-ND2 3.3Å; K109-N113 PolarHBondContact O-N 3.47Å; K109-N113 PolarHBondContact O-ND2 2.88Å; D111-N113 VanDerWaalsContact C-N 3.27Å; D111-N113 PolarHBondContact O-N 3.48Å; N113-S117 VanDerWaalsContact O-CB 3.32Å; N113-S117 WeakPolarHBondContact O-CB 3.35Å; N113-S117 PolarHBondContact O-N 3.13Å; N113-S117 PolarHBondContact O-OG 3.34Å; N113-S117 VanDerWaalsContact O-OG 3.1Å
114A76.1Confident69.8Low33 Ų3388.2 Ų88.227%0.27350%0.5SS..Hα-helixtrans-71.6-42.6-177.300000112D111 S117 V118D111-A114 PolarHBondContact O-N 2.88Å; A114-S117 PolarHBondContact O-OG 3.23Å; A114-V118 WeakPolarHBondContact O-CB 3.43Å; A114-V118 VanDerWaalsContact O-CG2 3.24Å; A114-V118 WeakPolarHBondContact O-CG2 3.34Å; A114-V118 PolarHBondContact O-N 3.22Å; A114-V118 VanDerWaalsContact O-N 3.1Å
115L81.2Confident72.1Confident92 Ų9283.1 Ų83.148%0.48247%0.465SS..Hα-helixtrans-69.7-39.3175.9-175.562.1000111.7D111 V118 A119 L198D111-L115 PolarHBondContact O-N 3.47Å; L115-V118 PolarHBondContact O-N 3.08Å; L115-A119 WeakPolarHBondContact O-CB 3.39Å; L115-A119 PolarHBondContact O-N 2.93Å; L115-L198 HydrophobicContact CD1-CD2 4.44Å
116K83.1Confident74.4Confident110 Ų11082 Ų8248%0.47844%0.44SS..Hα-helixtrans-63.3-44.5176.4-77.9174.5173.5168.60111.8E112 A119 E120E112-K116 WeakPolarHBondContact O-CB 3.46Å; E112-K116 WeakPolarHBondContact O-CD 3.4Å; E112-K116 VanDerWaalsContact O-CG 3.29Å; E112-K116 WeakPolarHBondContact O-CG 3.4Å; E112-K116 PolarHBondContact O-N 2.97Å; E112-K116 IonicContact OE1-NZ 2.64Å; E112-K116 PolarHBondContact OE1-NZ 3.16Å; K116-A119 PolarHBondContact O-N 2.78Å; K116-E120 WeakPolarHBondContact O-CG 3.2Å; K116-E120 PolarHBondContact O-N 3.13Å
117S83Confident77.1Confident53 Ų5380.1 Ų80.137%0.37142%0.421SS..Hα-helixtrans-64.4-42.217765.20000112.1N113 A114 A119 E120 E121N113-S117 VanDerWaalsContact O-CB 3.32Å; N113-S117 WeakPolarHBondContact O-CB 3.35Å; N113-S117 PolarHBondContact O-N 3.13Å; N113-S117 PolarHBondContact O-OG 3.34Å; N113-S117 VanDerWaalsContact O-OG 3.1Å; A114-S117 PolarHBondContact O-OG 3.23Å; S117-A119 VanDerWaalsContact C-N 3.33Å; S117-A119 PolarHBondContact O-N 3.07Å; S117-E120 PolarHBondContact O-N 3Å; S117-E121 WeakPolarHBondContact O-CB 3.46Å; S117-E121 WeakPolarHBondContact O-CG 3.5Å; S117-E121 PolarHBondContact O-N 3.47Å
118V86.8Confident79.4Confident28 Ų2869.8 Ų69.817%0.1738%0.376CS..Hα-helixtrans-62-40.8174.4170.60000111.4A114 L115 S122A114-V118 WeakPolarHBondContact O-CB 3.43Å; A114-V118 VanDerWaalsContact O-CG2 3.24Å; A114-V118 WeakPolarHBondContact O-CG2 3.34Å; A114-V118 PolarHBondContact O-N 3.22Å; A114-V118 VanDerWaalsContact O-N 3.1Å; L115-V118 PolarHBondContact O-N 3.08Å; V118-S122 WeakPolarHBondContact O-CB 3.18Å; V118-S122 PolarHBondContact O-N 3.45Å; V118-S122 PolarHBondContact O-OG 3.25Å
119A88.9Confident81.6Confident33 Ų3371.1 Ų71.127%0.27337%0.372SS..Hα-helixtrans-65.8-41.8177.600000112.1L115 K116 S117 S122 T123L115-A119 WeakPolarHBondContact O-CB 3.39Å; L115-A119 PolarHBondContact O-N 2.93Å; K116-A119 PolarHBondContact O-N 2.78Å; S117-A119 VanDerWaalsContact C-N 3.33Å; S117-A119 PolarHBondContact O-N 3.07Å; A119-S122 PolarHBondContact O-N 3.23Å; A119-T123 WeakPolarHBondContact O-CB 3.44Å; A119-T123 PolarHBondContact O-N 3.1Å; A119-T123 PolarHBondContact O-OG1 3.33Å
120E88.6Confident84.1Confident115 Ų11564.3 Ų64.354%0.53735%0.345SS..Hα-helixtrans-64.9-46.5175.9-74.5-179.8-169.900112.1K116 S117 T123 K124K116-E120 WeakPolarHBondContact O-CG 3.2Å; K116-E120 PolarHBondContact O-N 3.13Å; S117-E120 PolarHBondContact O-N 3Å; E120-T123 PolarHBondContact O-N 3.16Å; E120-K124 WeakPolarHBondContact O-CG 3.44Å; E120-K124 PolarHBondContact O-N 3.46Å
121E88.4Confident85.9Confident132 Ų13262.1 Ų62.162%0.61732%0.324SS*.Hα-helixtrans-61.7-43.9175.8-73.6-175.7176.400111.5S117 T123 K124 E125S117-E121 WeakPolarHBondContact O-CB 3.46Å; S117-E121 WeakPolarHBondContact O-CG 3.5Å; S117-E121 PolarHBondContact O-N 3.47Å; E121-T123 VanDerWaalsContact C-N 3.3Å; E121-T123 PolarHBondContact O-N 2.88Å; E121-K124 PolarHBondContact O-N 3.41Å; E121-E125 WeakPolarHBondContact O-CB 3.42Å; E121-E125 PolarHBondContact O-N 3.39Å
122S91.9Very high87.8Confident3 Ų356.9 Ų56.92%0.02130%0.298CS..Hα-helixtrans-61.7-38.5176.3-60.40000111.7V118 A119 E125 M126 N197V118-S122 WeakPolarHBondContact O-CB 3.18Å; V118-S122 PolarHBondContact O-N 3.45Å; V118-S122 PolarHBondContact O-OG 3.25Å; A119-S122 PolarHBondContact O-N 3.23Å; S122-E125 PolarHBondContact O-N 3.07Å; S122-M126 WeakPolarHBondContact O-CB 3.36Å; S122-M126 PolarHBondContact O-N 2.68Å; S122-N197 PolarHBondContact OG-ND2 3.47Å
123T92.1Very high89.5Confident52 Ų5253 Ų5332%0.31928%0.281SS..Hα-helixtrans-67.5-42.9178.8-59.20000111.4A119 E120 E121 M126 I127A119-T123 WeakPolarHBondContact O-CB 3.44Å; A119-T123 PolarHBondContact O-N 3.1Å; A119-T123 PolarHBondContact O-OG1 3.33Å; E120-T123 PolarHBondContact O-N 3.16Å; E121-T123 VanDerWaalsContact C-N 3.3Å; E121-T123 PolarHBondContact O-N 2.88Å; T123-M126 HydrophobicContact CG2-CE 4.3Å; T123-M126 WeakPolarHBondContact O-CB 3.38Å; T123-M126 PolarHBondContact O-N 2.64Å; T123-I127 HydrophobicContact CG2-CD1 4.16Å; T123-I127 VanDerWaalsContact O-CG1 3.31Å; T123-I127 WeakPolarHBondContact O-CG1 3.39Å; T123-I127 PolarHBondContact O-N 3.35Å
124K91.3Very high90.7Very high55 Ų5553.6 Ų53.624%0.23928%0.283CS..Hα-helixtrans-62.7-44.9175.9-66.2170.9-159.4179.40111.1C95 S99 E120 E121 M126 I127 A128C95-K124 HydrophobicContact CB-CB 4.28Å; C95-K124 HydrophobicContact CB-CG 4.26Å; S99-K124 VanDerWaalsContact CB-NZ 3.34Å; S99-K124 WeakPolarHBondContact OG-CE 3.36Å; S99-K124 PolarHBondContact OG-NZ 3.5Å; E120-K124 WeakPolarHBondContact O-CG 3.44Å; E120-K124 PolarHBondContact O-N 3.46Å; E121-K124 PolarHBondContact O-N 3.41Å; K124-M126 VanDerWaalsContact C-N 3.33Å; K124-I127 PolarHBondContact O-N 2.87Å; K124-A128 PolarHBondContact O-N 3.01Å
125E92.9Very high91.6Very high23 Ų2356.2 Ų56.211%0.10729%0.291CS..Hα-helixtrans-66.1-36.8177.3-175.462.5-155.500111.7H88 R92 E121 S122 A128 R129 L193H88-E125 IonicContact CD2-OE1 3.68Å; H88-E125 IonicContact CE1-OE1 2.81Å; H88-E125 IonicContact CE1-OE2 2.7Å; H88-E125 IonicContact NE2-OE1 3.45Å; H88-E125 PolarHBondContact NE2-OE1 3.29Å; H88-E125 IonicContact NE2-OE2 3.34Å; H88-E125 PolarHBondContact NE2-OE2 2.97Å; R92-E125 IonicContact CZ-OE2 2.88Å; R92-E125 IonicContact NH1-OE2 3.73Å; R92-E125 PolarHBondContact NH1-OE2 3.18Å; E121-E125 WeakPolarHBondContact O-CB 3.42Å; E121-E125 PolarHBondContact O-N 3.39Å; S122-E125 PolarHBondContact O-N 3.07Å; E125-A128 PolarHBondContact O-N 3.5Å; E125-R129 HydrophobicContact CG-CG 4.49Å; E125-R129 WeakPolarHBondContact O-CB 3.45Å; E125-R129 VanDerWaalsContact O-CG 3.3Å; E125-R129 WeakPolarHBondContact O-CG 3.39Å; E125-R129 PolarHBondContact O-N 3.07Å; E125-R129 IonicContact OE1-CZ 3.36Å; E125-R129 IonicContact OE1-NE 3.92Å; E125-R129 PolarHBondContact OE1-NE 3.31Å; E125-R129 IonicContact OE1-NH2 3.18Å; E125-R129 PolarHBondContact OE1-NH2 3.42Å; E125-L193 HydrophobicContact CB-CD1 4.39Å; E125-L193 HydrophobicContact CB-CD2 4.1Å; E125-L193 HydrophobicContact CG-CD1 3.73Å; E125-L193 HydrophobicContact CG-CD2 3.99Å
126M95.2Very high92.3Very high48 Ų4852.8 Ų52.824%0.23628%0.275CS..Hα-helixtrans-60.6-50.1174.7-177.2-179.267.300110.9S122 T123 K124 A128 R129 S130 V190 L193 W194S122-M126 WeakPolarHBondContact O-CB 3.36Å; S122-M126 PolarHBondContact O-N 2.68Å; T123-M126 HydrophobicContact CG2-CE 4.3Å; T123-M126 WeakPolarHBondContact O-CB 3.38Å; T123-M126 PolarHBondContact O-N 2.64Å; K124-M126 VanDerWaalsContact C-N 3.33Å; M126-A128 PolarHBondContact O-N 3.42Å; M126-R129 PolarHBondContact O-N 3.43Å; M126-S130 WeakPolarHBondContact O-CB 3.43Å; M126-S130 PolarHBondContact O-N 2.97Å; M126-S130 PolarHBondContact O-OG 3.03Å; M126-S130 VanDerWaalsContact O-OG 3.06Å; M126-V190 HydrophobicContact CG-CG1 4.35Å; M126-V190 HydrophobicContact CG-CG2 3.96Å; M126-V190 HydrophobicContact SD-CG1 3.72Å; M126-V190 HydrophobicContact SD-CG2 4.2Å; M126-L193 VanDerWaalsContact CA-CD2 3.48Å; M126-L193 HydrophobicContact CB-CD2 3.74Å; M126-L193 VanDerWaalsContact N-CD2 3.35Å; M126-W194 PolarHBondContact SD-NE1 3.46Å
127I95.1Very high92.9Very high72 Ų7247.7 Ų47.737%0.36925%0.252SS..Hα-helixtrans-59-48.3178.3-66.3163.7000110.2V91 T123 K124 R129 S130 C131V91-I127 HydrophobicContact CG1-CG2 4.1Å; T123-I127 HydrophobicContact CG2-CD1 4.16Å; T123-I127 VanDerWaalsContact O-CG1 3.31Å; T123-I127 WeakPolarHBondContact O-CG1 3.39Å; T123-I127 PolarHBondContact O-N 3.35Å; K124-I127 PolarHBondContact O-N 2.87Å; I127-R129 PolarHBondContact O-N 3.23Å; I127-S130 PolarHBondContact O-N 2.82Å; I127-C131 WeakPolarHBondContact O-CB 3.49Å; I127-C131 PolarHBondContact O-N 3.35Å; I127-C131 PolarHBondContact O-SG 3.43Å
128A94.4Very high93.5Very high0 Ų046.6 Ų46.60%024%0.244CC..Hα-helixtrans-59.2-45.6178.900000112.5V91 R92 K124 E125 M126 A132V91-A128 HydrophobicContact CB-CB 4.29Å; V91-A128 HydrophobicContact CG1-CB 4.1Å; R92-A128 HydrophobicContact CB-CB 4.16Å; K124-A128 PolarHBondContact O-N 3.01Å; E125-A128 PolarHBondContact O-N 3.5Å; M126-A128 PolarHBondContact O-N 3.42Å; A128-A132 WeakPolarHBondContact O-CB 3.35Å; A128-A132 PolarHBondContact O-N 3.01Å
129R94.4Very high93.8Very high101 Ų10147.1 Ų47.138%0.38124%0.244SC..Hα-helixtrans-67.5-42.5178.1-73.4-175.5-176-165.51.2113E125 M126 I127 A132 T133E125-R129 HydrophobicContact CG-CG 4.49Å; E125-R129 WeakPolarHBondContact O-CB 3.45Å; E125-R129 VanDerWaalsContact O-CG 3.3Å; E125-R129 WeakPolarHBondContact O-CG 3.39Å; E125-R129 PolarHBondContact O-N 3.07Å; E125-R129 IonicContact OE1-CZ 3.36Å; E125-R129 IonicContact OE1-NE 3.92Å; E125-R129 PolarHBondContact OE1-NE 3.31Å; E125-R129 IonicContact OE1-NH2 3.18Å; E125-R129 PolarHBondContact OE1-NH2 3.42Å; M126-R129 PolarHBondContact O-N 3.43Å; I127-R129 PolarHBondContact O-N 3.23Å; R129-A132 PolarHBondContact O-N 2.94Å; R129-T133 WeakPolarHBondContact O-CB 3.33Å; R129-T133 PolarHBondContact O-N 3.29Å; R129-T133 PolarHBondContact O-OG1 3.27Å
130S96.5Very high94.1Very high26 Ų2647 Ų4718%0.18224%0.238CC..Hα-helixtrans-64.1-44.6178.5-65.20000111.2M126 I127 T133 I134M126-S130 WeakPolarHBondContact O-CB 3.43Å; M126-S130 PolarHBondContact O-N 2.97Å; M126-S130 PolarHBondContact O-OG 3.03Å; M126-S130 VanDerWaalsContact O-OG 3.06Å; I127-S130 PolarHBondContact O-N 2.82Å; S130-T133 PolarHBondContact O-N 3.07Å; S130-I134 VanDerWaalsContact O-CG1 3.28Å; S130-I134 WeakPolarHBondContact O-CG1 3.3Å; S130-I134 PolarHBondContact O-N 2.76Å
131C96.3Very high94.4Very high46 Ų4641.5 Ų41.531%0.31121%0.212SC..Hα-helixtrans-60.7-47.1175-70.80000111.9V91 I127 T133 I134 I135V91-C131 HydrophobicContact CG1-CB 4.28Å; V91-C131 HydrophobicContact CG2-CB 3.94Å; I127-C131 WeakPolarHBondContact O-CB 3.49Å; I127-C131 PolarHBondContact O-N 3.35Å; I127-C131 PolarHBondContact O-SG 3.43Å; C131-T133 VanDerWaalsContact C-N 3.3Å; C131-T133 PolarHBondContact O-N 3.47Å; C131-I134 PolarHBondContact O-N 2.97Å; C131-I135 WeakPolarHBondContact O-CG1 3.31Å; C131-I135 PolarHBondContact O-N 3.48Å; C131-I135 VanDerWaalsContact O-N 3.11Å
132A95.6Very high94.6Very high9 Ų935.3 Ų35.37%0.07418%0.183CC..Hα-helixtrans-59.8-41.6176.100000112.1V87 H88 A128 R129 I135 T136V87-A132 HydrophobicContact CB-CB 4.38Å; V87-A132 HydrophobicContact CG1-CB 4.08Å; H88-A132 HydrophobicContact CB-CB 4.09Å; A128-A132 WeakPolarHBondContact O-CB 3.35Å; A128-A132 PolarHBondContact O-N 3.01Å; R129-A132 PolarHBondContact O-N 2.94Å; A132-I135 PolarHBondContact O-N 3.42Å; A132-T136 WeakPolarHBondContact O-CB 3.46Å; A132-T136 VanDerWaalsContact O-CG2 3.26Å; A132-T136 WeakPolarHBondContact O-CG2 3.44Å; A132-T136 PolarHBondContact O-N 3.41Å; A132-T136 PolarHBondContact O-OG1 3.02Å
133T95.8Very high94.7Very high18 Ų1835.4 Ų35.411%0.1118%0.184CC..Hα-helixtrans-64.1-48178.4-590000111.1R129 S130 C131 I135 T136 H137 L182 R185 L186 D189R129-T133 WeakPolarHBondContact O-CB 3.33Å; R129-T133 PolarHBondContact O-N 3.29Å; R129-T133 PolarHBondContact O-OG1 3.27Å; S130-T133 PolarHBondContact O-N 3.07Å; C131-T133 VanDerWaalsContact C-N 3.3Å; C131-T133 PolarHBondContact O-N 3.47Å; T133-I135 VanDerWaalsContact C-N 3.32Å; T133-I135 PolarHBondContact O-N 3.4Å; T133-T136 PolarHBondContact O-N 3.01Å; T133-T136 PolarHBondContact O-OG1 2.93Å; T133-H137 WeakPolarHBondContact O-CA 3.24Å; T133-H137 WeakPolarHBondContact O-CB 3.4Å; T133-H137 PolarHBondContact O-N 3.23Å; T133-L182 HydrophobicContact CG2-CD1 4.35Å; T133-R185 HydrophobicContact CG2-CG 3.77Å; T133-L186 HydrophobicContact CG2-CD2 3.8Å; T133-D189 PolarHBondContact OG1-OD2 3.04Å
134I96.8Very high94.9Very high76 Ų7633 Ų3339%0.3917%0.169SC..Hα-helixtrans-58.8-44.3179.4-68.4163.6000111.1S130 C131 F179 L182 L186S130-I134 VanDerWaalsContact O-CG1 3.28Å; S130-I134 WeakPolarHBondContact O-CG1 3.3Å; S130-I134 PolarHBondContact O-N 2.76Å; C131-I134 PolarHBondContact O-N 2.97Å; I134-F179 HydrophobicContact CG2-CE1 4.49Å; I134-L182 HydrophobicContact CG1-CD1 4.36Å; I134-L182 HydrophobicContact CG1-CD2 4.42Å; I134-L186 HydrophobicContact CG1-CD1 4.25Å; I134-L186 HydrophobicContact CG1-CD2 4.28Å
135I95.9Very high95Very high88 Ų8830.3 Ų30.345%0.45116%0.157SC..Hα-helixtrans-70.3-35.4-179.2-65.8-177.3000111.9I83 V87 C131 A132 T133I83-I135 HydrophobicContact CG2-CG2 3.83Å; V87-I135 HydrophobicContact CG1-CD1 3.83Å; V87-I135 HydrophobicContact CG2-CB 4.44Å; V87-I135 HydrophobicContact CG2-CD1 3.93Å; V87-I135 HydrophobicContact CG2-CG2 4.08Å; C131-I135 WeakPolarHBondContact O-CG1 3.31Å; C131-I135 PolarHBondContact O-N 3.48Å; C131-I135 VanDerWaalsContact O-N 3.11Å; A132-I135 PolarHBondContact O-N 3.42Å; T133-I135 VanDerWaalsContact C-N 3.32Å; T133-I135 PolarHBondContact O-N 3.4Å
136T95.4Very high94.9Very high21 Ų2129.3 Ų29.313%0.12915%0.153CC..Hα-helixtrans-90.2-12.7-17757.70000114.1A80 I83 G84 A132 T133 P138 F139 H140A80-T136 VanDerWaalsContact O-CG2 3.25Å; A80-T136 WeakPolarHBondContact O-CG2 3.26Å; I83-T136 HydrophobicContact CB-CG2 4.29Å; I83-T136 HydrophobicContact CG2-CG2 4.14Å; G84-T136 VanDerWaalsContact CA-CG2 3.42Å; A132-T136 WeakPolarHBondContact O-CB 3.46Å; A132-T136 VanDerWaalsContact O-CG2 3.26Å; A132-T136 WeakPolarHBondContact O-CG2 3.44Å; A132-T136 PolarHBondContact O-N 3.41Å; A132-T136 PolarHBondContact O-OG1 3.02Å; T133-T136 PolarHBondContact O-N 3.01Å; T133-T136 PolarHBondContact O-OG1 2.93Å; T136-P138 VanDerWaalsContact C-CD 3.49Å; T136-F139 WeakPolarHBondContact O-CB 3.47Å; T136-F139 PolarHBondContact O-N 3.49Å; T136-F139 VanDerWaalsContact O-N 3.08Å; T136-H140 PolarHBondContact O-N 3.4Å; T136-H140 VanDerWaalsContact O-N 3.11Å
137H95.9Very high94.8Very high2 Ų227 Ų271%0.00914%0.141CC..Hα-helixtrans-57.4-40.2-175.9-167.469.4000114T133 F139 H140 V141 F178 A180 L182T133-H137 WeakPolarHBondContact O-CA 3.24Å; T133-H137 WeakPolarHBondContact O-CB 3.4Å; T133-H137 PolarHBondContact O-N 3.23Å; H137-F139 VanDerWaalsContact C-N 3.29Å; H137-F139 PolarHBondContact O-N 2.87Å; H137-H140 WeakPolarHBondContact O-CA 3.37Å; H137-H140 WeakPolarHBondContact O-CB 3.4Å; H137-H140 PolarHBondContact O-N 3.4Å; H137-V141 PolarHBondContact O-N 3.28Å; H137-F178 PolarHBondContact CD2-O 3.01Å; H137-A180 PolarHBondContact CE1-O 2.79Å; H137-A180 PolarHBondContact NE2-O 2.87Å; H137-L182 HydrophobicContact CB-CD1 3.94Å; H137-L182 PolarHBondContact NE2-N 3.35Å
138P94.5Very high94.7Very high30 Ų3023.6 Ų23.620%0.19512%0.124CC..Hα-helixtrans-55.2-42.3173.9-27.836.5000113.4T136 H140 V141 I142 F178T136-P138 VanDerWaalsContact C-CD 3.49Å; P138-H140 VanDerWaalsContact C-N 3.33Å; P138-V141 PolarHBondContact O-N 2.79Å; P138-I142 WeakPolarHBondContact O-CD1 3.41Å; P138-I142 VanDerWaalsContact O-CG1 3.29Å; P138-I142 WeakPolarHBondContact O-CG1 3.46Å; P138-I142 PolarHBondContact O-N 3.48Å; P138-I142 VanDerWaalsContact O-N 3.08Å; P138-F178 HydrophobicContact CB-CB 4.07Å; P138-F178 HydrophobicContact CB-CD1 3.88Å; P138-F178 HydrophobicContact CB-CG 4.31Å; P138-F178 HydrophobicContact CG-CB 4.18Å
139F94.5Very high94.5Very high40 Ų4024.4 Ų24.418%0.17513%0.127CC..Hα-helixtrans-69.4-32.8176.7-64.6-83000112.3C79 A80 I83 T136 H137 T143 M162C79-F139 HydrophobicContact CB-CD1 3.9Å; C79-F139 HydrophobicContact CB-CE1 3.97Å; A80-F139 HydrophobicContact CB-CB 3.71Å; I83-F139 HydrophobicContact CD1-CD2 4.27Å; I83-F139 HydrophobicContact CD1-CE1 4.49Å; I83-F139 HydrophobicContact CD1-CE2 3.52Å; I83-F139 HydrophobicContact CD1-CZ 3.65Å; T136-F139 WeakPolarHBondContact O-CB 3.47Å; T136-F139 PolarHBondContact O-N 3.49Å; T136-F139 VanDerWaalsContact O-N 3.08Å; H137-F139 VanDerWaalsContact C-N 3.29Å; H137-F139 PolarHBondContact O-N 2.87Å; F139-T143 WeakPolarHBondContact O-CB 3.27Å; F139-T143 PolarHBondContact O-N 3.19Å; F139-T143 PolarHBondContact O-OG1 3.5Å; F139-M162 HydrophobicContact CD1-SD 4.26Å; F139-M162 HydrophobicContact CE1-CE 4.38Å; F139-M162 HydrophobicContact CE1-SD 3.97Å
140H94.6Very high94.2Very high29 Ų2920.1 Ų20.113%0.13411%0.112CC..Hα-helixtrans-64.4-45.2173.3-175.954.9000111.5T136 H137 P138 I142 T143 L144 R185 H242T136-H140 PolarHBondContact O-N 3.4Å; T136-H140 VanDerWaalsContact O-N 3.11Å; H137-H140 WeakPolarHBondContact O-CA 3.37Å; H137-H140 WeakPolarHBondContact O-CB 3.4Å; H137-H140 PolarHBondContact O-N 3.4Å; P138-H140 VanDerWaalsContact C-N 3.33Å; H140-I142 PolarHBondContact O-N 3.22Å; H140-T143 WeakPolarHBondContact O-CB 3.3Å; H140-T143 PolarHBondContact O-N 3.39Å; H140-L144 WeakPolarHBondContact O-CG 3.48Å; H140-L144 PolarHBondContact O-N 2.93Å; H140-R185 PolarHBondContact NE2-NH1 3.26Å; H140-H242 AromaticContact CE1-CD2 3.87Å; H140-H242 AromaticContact CE1-NE2 3.57Å; H140-H242 AromaticContact NE2-CD2 3.42Å; H140-H242 PolarHBondContact NE2-CD2 2.88Å; H140-H242 AromaticContact NE2-NE2 3.48Å; H140-H242 PolarHBondContact NE2-NE2 3.42Å
141V94.8Very high93.7Very high0 Ų020 Ų200%011%0.109CC..Hα-helixtrans-59.4-47.9175.6172.70000111H137 P138 T143 L144 R145 F178 A245H137-V141 PolarHBondContact O-N 3.28Å; P138-V141 PolarHBondContact O-N 2.79Å; V141-T143 VanDerWaalsContact C-N 3.31Å; V141-T143 PolarHBondContact O-N 3.14Å; V141-L144 PolarHBondContact O-N 3.1Å; V141-R145 HydrophobicContact CG1-CG 4.5Å; V141-R145 VanDerWaalsContact CG1-NE 3.26Å; V141-R145 WeakPolarHBondContact O-CG 3.4Å; V141-R145 PolarHBondContact O-N 3.49Å; V141-F178 WeakPolarHBondContact CG2-O 3.41Å; V141-A245 HydrophobicContact CG2-CB 4.14Å
142I93.4Very high93.1Very high2 Ų219.3 Ų19.31%0.0111%0.109CC..Hα-helixtrans-59.4-44.4177.1-63.5162.4000110.5P76 P138 H140 L144 R145 C146 I166 I169 F178P76-I142 HydrophobicContact CB-CB 4.31Å; P76-I142 HydrophobicContact CB-CG2 4Å; P76-I142 HydrophobicContact CG-CG2 3.75Å; P138-I142 WeakPolarHBondContact O-CD1 3.41Å; P138-I142 VanDerWaalsContact O-CG1 3.29Å; P138-I142 WeakPolarHBondContact O-CG1 3.46Å; P138-I142 PolarHBondContact O-N 3.48Å; P138-I142 VanDerWaalsContact O-N 3.08Å; H140-I142 PolarHBondContact O-N 3.22Å; I142-L144 VanDerWaalsContact C-N 3.35Å; I142-L144 PolarHBondContact O-N 3.49Å; I142-R145 PolarHBondContact O-N 2.97Å; I142-C146 WeakPolarHBondContact O-CB 3.41Å; I142-C146 PolarHBondContact O-N 2.78Å; I142-C146 PolarHBondContact O-SG 3.43Å; I142-I166 HydrophobicContact CD1-CD1 4.36Å; I142-I166 HydrophobicContact CD1-CG1 3.59Å; I142-I169 HydrophobicContact CG1-CD1 3.73Å; I142-F178 HydrophobicContact CD1-CE1 4.42Å
143T94.3Very high92.7Very high5 Ų525.4 Ų25.43%0.03113%0.13CC..Hα-helixtrans-55-49.6176.6-60.30000111.5R77 F139 H140 V141 R145 C146 M147R77-T143 HydrophobicContact CB-CG2 3.91Å; R77-T143 HydrophobicContact CG-CG2 4.41Å; R77-T143 PolarHBondContact N-OG1 3.3Å; F139-T143 WeakPolarHBondContact O-CB 3.27Å; F139-T143 PolarHBondContact O-N 3.19Å; F139-T143 PolarHBondContact O-OG1 3.5Å; H140-T143 WeakPolarHBondContact O-CB 3.3Å; H140-T143 PolarHBondContact O-N 3.39Å; V141-T143 VanDerWaalsContact C-N 3.31Å; V141-T143 PolarHBondContact O-N 3.14Å; T143-R145 PolarHBondContact O-N 3.31Å; T143-C146 PolarHBondContact O-N 3.45Å; T143-M147 HydrophobicContact CG2-CE 3.64Å; T143-M147 HydrophobicContact CG2-SD 4.22Å; T143-M147 WeakPolarHBondContact O-CG 3.46Å; T143-M147 PolarHBondContact O-N 3.04Å; T143-M147 VanDerWaalsContact O-N 3.08Å
144L94.8Very high92.1Very high1 Ų127.1 Ų27.11%0.00514%0.137CC..Hα-helixtrans-64.8-40.3-178.4-67.4174.8000111.8V26 H140 V141 I142 M147 V148 H242 A245 V246V26-L144 HydrophobicContact CB-CD2 4.35Å; V26-L144 HydrophobicContact CG1-CD2 3.76Å; V26-L144 HydrophobicContact CG2-CD2 3.58Å; H140-L144 WeakPolarHBondContact O-CG 3.48Å; H140-L144 PolarHBondContact O-N 2.93Å; V141-L144 PolarHBondContact O-N 3.1Å; I142-L144 VanDerWaalsContact C-N 3.35Å; I142-L144 PolarHBondContact O-N 3.49Å; L144-M147 WeakPolarHBondContact O-CB 3.42Å; L144-M147 PolarHBondContact O-N 3.35Å; L144-V148 WeakPolarHBondContact O-CG2 3.23Å; L144-V148 PolarHBondContact O-N 3.31Å; L144-H242 HydrophobicContact CD1-CB 4.13Å; L144-H242 HydrophobicContact CD2-CB 4.48Å; L144-A245 HydrophobicContact CD1-CB 3.51Å; L144-V246 HydrophobicContact CB-CG1 3.85Å
145R93.3Very high91.3Very high0 Ų029.7 Ų29.70%016%0.157CC..Hα-helixtrans-67.3-40.8177-68177.3-172.7-160.11.2112.3V141 I142 T143 M147 V148 Q149 Y157 E173 G177 A245 V246 L251V141-R145 HydrophobicContact CG1-CG 4.5Å; V141-R145 VanDerWaalsContact CG1-NE 3.26Å; V141-R145 WeakPolarHBondContact O-CG 3.4Å; V141-R145 PolarHBondContact O-N 3.49Å; I142-R145 PolarHBondContact O-N 2.97Å; T143-R145 PolarHBondContact O-N 3.31Å; R145-M147 PolarHBondContact O-N 3.3Å; R145-V148 PolarHBondContact O-N 2.92Å; R145-Q149 PolarHBondContact O-N 3.47Å; R145-Y157 HydrophobicContact CB-CD2 3.81Å; R145-Y157 HydrophobicContact CB-CE2 4.03Å; R145-Y157 HydrophobicContact CB-CG 4.29Å; R145-E173 IonicContact CZ-OE1 3.36Å; R145-E173 IonicContact CZ-OE2 3.62Å; R145-E173 IonicContact NH1-OE1 3.2Å; R145-E173 PolarHBondContact NH1-OE1 2.82Å; R145-E173 IonicContact NH1-OE2 3.15Å; R145-E173 PolarHBondContact NH1-OE2 3.4Å; R145-E173 IonicContact NH2-OE1 3.95Å; R145-E173 PolarHBondContact NH2-OE1 3.17Å; R145-E173 IonicContact NH2-OE2 3.5Å; R145-E173 PolarHBondContact NH2-OE2 2.89Å; R145-G177 PolarHBondContact NH2-O 2.76Å; R145-A245 PolarHBondContact NE-O 3.41Å; R145-A245 PolarHBondContact NH2-O 3.32Å; R145-V246 HydrophobicContact CG-CG1 4.36Å; R145-L251 HydrophobicContact CB-CD1 3.96Å; R145-L251 HydrophobicContact CG-CD1 4.33Å; R145-L251 WeakPolarHBondContact O-CD1 3.49Å
146C92.3Very high90.5Very high2 Ų227.9 Ų27.91%0.01415%0.146CC..Hα-helixtrans-60-31.2171.5-72.20000112.9I142 T143 Q149 Y157I142-C146 WeakPolarHBondContact O-CB 3.41Å; I142-C146 PolarHBondContact O-N 2.78Å; I142-C146 PolarHBondContact O-SG 3.43Å; T143-C146 PolarHBondContact O-N 3.45Å; C146-Q149 VanDerWaalsContact O-CG 3.31Å; C146-Q149 WeakPolarHBondContact O-CG 3.44Å; C146-Q149 PolarHBondContact O-NE2 3.23Å; C146-Y157 PolarHBondContact SG-O 3.2Å
147M93.1Very high89.7Confident0 Ų026.9 Ų26.90%014%0.139CC..Hα-helixtrans-74.7-47.6174.2-70.6173.317700110.9H19 M22 Y23 V26 T143 L144 R145 Q149 F150H19-M147 WeakPolarHBondContact CE1-CE 3.38Å; M22-M147 HydrophobicContact CG-CE 4.37Å; Y23-M147 HydrophobicContact CD2-CB 3.55Å; Y23-M147 HydrophobicContact CD2-CG 3.48Å; Y23-M147 VanDerWaalsContact CD2-CG 3.48Å; Y23-M147 HydrophobicContact CD2-SD 4.19Å; Y23-M147 HydrophobicContact CE2-CB 3.63Å; Y23-M147 HydrophobicContact CE2-CG 3.96Å; Y23-M147 VanDerWaalsContact CE2-O 3.3Å; Y23-M147 WeakPolarHBondContact CE2-O 3.46Å; Y23-M147 HydrophobicContact CG-CG 4.28Å; V26-M147 HydrophobicContact CB-SD 3.92Å; V26-M147 HydrophobicContact CG1-CB 4.12Å; V26-M147 HydrophobicContact CG1-SD 4.13Å; V26-M147 HydrophobicContact CG2-SD 3.79Å; T143-M147 HydrophobicContact CG2-CE 3.64Å; T143-M147 HydrophobicContact CG2-SD 4.22Å; T143-M147 WeakPolarHBondContact O-CG 3.46Å; T143-M147 PolarHBondContact O-N 3.04Å; T143-M147 VanDerWaalsContact O-N 3.08Å; L144-M147 WeakPolarHBondContact O-CB 3.42Å; L144-M147 PolarHBondContact O-N 3.35Å; R145-M147 PolarHBondContact O-N 3.3Å; M147-Q149 PolarHBondContact O-N 3.06Å; M147-F150 WeakPolarHBondContact O-CB 3.36Å; M147-F150 PolarHBondContact O-N 2.91Å
148V91.9Very high88.3Confident0 Ų029.8 Ų29.80%016%0.16CC..Hα-helixtrans-69.2-27.2-173.6168.10000113.8V26 V30 L144 R145 F150 I151 V246 L251V26-V148 HydrophobicContact CG1-CG2 4.27Å; V30-V148 HydrophobicContact CG1-CG2 3.84Å; V30-V148 HydrophobicContact CG2-CG2 4.22Å; L144-V148 WeakPolarHBondContact O-CG2 3.23Å; L144-V148 PolarHBondContact O-N 3.31Å; R145-V148 PolarHBondContact O-N 2.92Å; V148-F150 PolarHBondContact O-N 3.48Å; V148-I151 HydrophobicContact CG1-CD1 4.17Å; V148-I151 WeakPolarHBondContact O-CB 3.32Å; V148-I151 WeakPolarHBondContact O-CG1 3.5Å; V148-I151 PolarHBondContact O-N 3.43Å; V148-V246 HydrophobicContact CB-CG1 4.39Å; V148-V246 HydrophobicContact CG2-CB 4.34Å; V148-V246 HydrophobicContact CG2-CG1 3.85Å; V148-V246 HydrophobicContact CG2-CG2 4.49Å; V148-L251 HydrophobicContact CB-CD1 4.25Å; V148-L251 HydrophobicContact CG1-CB 4.44Å; V148-L251 HydrophobicContact CG1-CD1 4.1Å
149Q90.6Very high86.5Confident16 Ų1634.6 Ų34.68%0.07518%0.178CC..THydrogen-bonded Turntrans-56.5-20.3177.677.1-170.8-22.800113.8R145 C146 M147 I151 G152 R153 E154 Y157 L251R145-Q149 PolarHBondContact O-N 3.47Å; C146-Q149 VanDerWaalsContact O-CG 3.31Å; C146-Q149 WeakPolarHBondContact O-CG 3.44Å; C146-Q149 PolarHBondContact O-NE2 3.23Å; M147-Q149 PolarHBondContact O-N 3.06Å; Q149-I151 PolarHBondContact O-N 3.02Å; Q149-G152 PolarHBondContact O-N 3.29Å; Q149-R153 PolarHBondContact O-N 3.1Å; Q149-R153 VanDerWaalsContact O-N 3.16Å; Q149-E154 HydrophobicContact CB-CB 4.21Å; Q149-E154 WeakPolarHBondContact CB-O 3.27Å; Q149-E154 WeakPolarHBondContact CG-O 3.47Å; Q149-E154 PolarHBondContact O-N 2.99Å; Q149-E154 PolarHBondContact OE1-O 3.42Å; Q149-Y157 VanDerWaalsContact CD-O 3.27Å; Q149-Y157 PolarHBondContact NE2-O 3.46Å; Q149-Y157 PolarHBondContact OE1-O 3.13Å; Q149-L251 HydrophobicContact CB-CD1 4.41Å; Q149-L251 HydrophobicContact CB-CD2 3.97Å
150F88.9Confident85Confident11 Ų1138.4 Ų38.45%0.04821%0.209CC..THydrogen-bonded Turntrans-55.3-35.1172.9178.3-97.1000113.4Y23 L27 H32 I61 I64 D65 M147 V148 G152 R153Y23-F150 WeakPolarHBondContact OH-CB 3.22Å; Y23-F150 WeakPolarHBondContact OH-CD2 3.34Å; Y23-F150 VanDerWaalsContact OH-CG 3.31Å; Y23-F150 WeakPolarHBondContact OH-CG 3.43Å; L27-F150 HydrophobicContact CD1-CD1 3.92Å; L27-F150 HydrophobicContact CD1-CE1 4.43Å; L27-F150 HydrophobicContact CD1-CG 4.49Å; L27-F150 HydrophobicContact CD2-CB 4.49Å; H32-F150 AromaticContact NE2-CE1 3.87Å; I61-F150 HydrophobicContact CB-CE2 4.5Å; I61-F150 HydrophobicContact CB-CZ 4.38Å; I61-F150 HydrophobicContact CG1-CE1 4.2Å; I61-F150 HydrophobicContact CG1-CE2 4.3Å; I61-F150 HydrophobicContact CG1-CZ 3.86Å; I61-F150 HydrophobicContact CG2-CE2 4.18Å; I64-F150 HydrophobicContact CB-CE2 4.27Å; I64-F150 HydrophobicContact CB-CZ 4.39Å; I64-F150 HydrophobicContact CD1-CZ 3.93Å; I64-F150 HydrophobicContact CG2-CE2 4.04Å; I64-F150 HydrophobicContact CG2-CZ 4.4Å; D65-F150 WeakPolarHBondContact OD2-CD2 3.42Å; D65-F150 VanDerWaalsContact OD2-CE2 3.27Å; D65-F150 WeakPolarHBondContact OD2-CE2 3.29Å; M147-F150 WeakPolarHBondContact O-CB 3.36Å; M147-F150 PolarHBondContact O-N 2.91Å; V148-F150 PolarHBondContact O-N 3.48Å; F150-G152 PolarHBondContact O-N 2.89Å; F150-R153 PolarHBondContact O-N 3.29Å
151I86Confident83.6Confident24 Ų2438 Ų3812%0.12321%0.213CC..THydrogen-bonded Turntrans-62.7-45-176.5-60.3176.7000110.8L27 V30 H32 V148 Q149 Y258L27-I151 HydrophobicContact CD2-CD1 4.29Å; L27-I151 HydrophobicContact CD2-CG1 4.08Å; V30-I151 HydrophobicContact CG2-CD1 3.66Å; H32-I151 HydrophobicContact CB-CD1 3.62Å; H32-I151 HydrophobicContact CB-CG1 3.95Å; V148-I151 HydrophobicContact CG1-CD1 4.17Å; V148-I151 WeakPolarHBondContact O-CB 3.32Å; V148-I151 WeakPolarHBondContact O-CG1 3.5Å; V148-I151 PolarHBondContact O-N 3.43Å; Q149-I151 PolarHBondContact O-N 3.02Å; I151-Y258 HydrophobicContact CG2-CD1 4.29Å; I151-Y258 HydrophobicContact CG2-CG 4.44Å
152G83.4Confident82.9Confident31 Ų3140.2 Ų40.232%0.3222%0.224SC..THydrogen-bonded Turntrans-89.7-1.3179.800000114.5Q149 F150 E154Q149-G152 PolarHBondContact O-N 3.29Å; F150-G152 PolarHBondContact O-N 2.89Å; G152-E154 PolarHBondContact O-N 3.27Å
153R86.1Confident82.3Confident138 Ų13846.2 Ų46.252%0.52126%0.256SS..THydrogen-bonded Turntrans55.232.9-167.7-54-67.5-63.6148.6-3.8112.2D65 Q149 F150D65-R153 IonicContact OD1-CZ 2.79Å; D65-R153 IonicContact OD1-NH1 3Å; D65-R153 PolarHBondContact OD1-NH1 2.74Å; D65-R153 IonicContact OD1-NH2 3.2Å; D65-R153 PolarHBondContact OD1-NH2 3.08Å; D65-R153 IonicContact OD2-NH1 2.84Å; D65-R153 PolarHBondContact OD2-NH1 3.44Å; Q149-R153 PolarHBondContact O-N 3.1Å; Q149-R153 VanDerWaalsContact O-N 3.16Å; F150-R153 PolarHBondContact O-N 3.29Å
154E84.6Confident81.8Confident53 Ų5350.7 Ų50.725%0.24828%0.279CS..  trans-86144.9-175.5-63.616799.400110.2Q149 G152 L251 A252Q149-E154 HydrophobicContact CB-CB 4.21Å; Q149-E154 WeakPolarHBondContact CB-O 3.27Å; Q149-E154 WeakPolarHBondContact CG-O 3.47Å; Q149-E154 PolarHBondContact O-N 2.99Å; Q149-E154 PolarHBondContact OE1-O 3.42Å; G152-E154 PolarHBondContact O-N 3.27Å; E154-L251 HydrophobicContact CB-CD2 4.27Å; E154-L251 WeakPolarHBondContact OE2-CA 3.35Å; E154-A252 PolarHBondContact OE2-N 3.29Å
155T79.8Confident81.4Confident131 Ų13150.7 Ų50.780%0.80428%0.279SS*.  trans-109.425.3177.257.70000112.2Y157T155-Y157 PolarHBondContact O-N 3.42Å
156K78.6Confident81.2Confident50 Ų5053.4 Ų53.422%0.21729%0.293CS..SBendtrans-68.9-31-172-169.7176.7-179.1-174.10113.4T168 E172 C249 L251K156-T168 HydrophobicContact CG-CG2 4.21Å; K156-E172 WeakPolarHBondContact CE-OE1 3.49Å; K156-E172 WeakPolarHBondContact CE-OE2 3.29Å; K156-E172 IonicContact NZ-OE1 2.62Å; K156-E172 PolarHBondContact NZ-OE1 2.87Å; K156-E172 IonicContact NZ-OE2 2.66Å; K156-E172 PolarHBondContact NZ-OE2 3.43Å; K156-C249 PolarHBondContact NZ-O 3.32Å; K156-L251 HydrophobicContact CB-CD2 4.26Å; K156-L251 HydrophobicContact CD-CD2 4.21Å
157Y77.5Confident81Confident0 Ų057.4 Ų57.40%032%0.317CS..SBendtrans-127.794-175.9-57.5-67.1000110.7R145 C146 Q149 T155 S165 T168 I169 C249 L251R145-Y157 HydrophobicContact CB-CD2 3.81Å; R145-Y157 HydrophobicContact CB-CE2 4.03Å; R145-Y157 HydrophobicContact CB-CG 4.29Å; C146-Y157 PolarHBondContact SG-O 3.2Å; Q149-Y157 VanDerWaalsContact CD-O 3.27Å; Q149-Y157 PolarHBondContact NE2-O 3.46Å; Q149-Y157 PolarHBondContact OE1-O 3.13Å; T155-Y157 PolarHBondContact O-N 3.42Å; Y157-S165 WeakPolarHBondContact CA-OG 3.28Å; Y157-T168 HydrophobicContact CE1-CG2 3.96Å; Y157-I169 HydrophobicContact CE1-CD1 4.25Å; Y157-I169 HydrophobicContact CE1-CG1 3.71Å; Y157-C249 PolarHBondContact OH-O 2.84Å; Y157-L251 HydrophobicContact CD2-CD1 3.91Å; Y157-L251 HydrophobicContact CD2-CD2 3.87Å; Y157-L251 HydrophobicContact CD2-CG 4.18Å; Y157-L251 HydrophobicContact CE2-CD1 3.79Å; Y157-L251 HydrophobicContact CE2-CD2 3.71Å; Y157-L251 HydrophobicContact CE2-CG 3.73Å
158S67.3Low80.8Confident63 Ų6358.1 Ų58.144%0.44132%0.322SS..  trans-110.5150-179-173.90000113.1S160 G161 M162S158-S160 PolarHBondContact O-N 3.35Å; S158-G161 CarbonylContact O-C 3.09Å; S158-G161 WeakPolarHBondContact O-CA 3.33Å; S158-G161 PolarHBondContact O-N 3.05Å; S158-G161 VanDerWaalsContact O-N 3.1Å; S158-M162 PolarHBondContact O-N 3.33Å
159F57.6Low80.7Confident130 Ų13058.1 Ų58.157%0.5732%0.322SS*.G310 helixtrans-62.7-39.9176.5174.6-120.3000113G75 G161 M162G75-F159 VanDerWaalsContact CA-CD2 3.43Å; F159-G161 PolarHBondContact O-N 3.3Å; F159-M162 PolarHBondContact O-N 3.36Å
160S61.5Low80.7Confident120 Ų12064.7 Ų64.784%0.83935%0.347SS*.G310 helixtrans-62-16.9176.4-167.50000112.4S158S158-S160 PolarHBondContact O-N 3.35Å
161G66.9Low80.8Confident20 Ų2073.2 Ų73.221%0.20638%0.379CS..G310 helixtrans-125.548.5176.500000111.7S158 F159 L163 D164 S165S158-G161 CarbonylContact O-C 3.09Å; S158-G161 WeakPolarHBondContact O-CA 3.33Å; S158-G161 PolarHBondContact O-N 3.05Å; S158-G161 VanDerWaalsContact O-N 3.1Å; F159-G161 PolarHBondContact O-N 3.3Å; G161-L163 PolarHBondContact O-N 3.39Å; G161-D164 CarbonylContact O-C 3.53Å; G161-D164 WeakPolarHBondContact O-CA 3.13Å; G161-D164 WeakPolarHBondContact O-CB 3.46Å; G161-D164 PolarHBondContact O-N 3.38Å; G161-S165 PolarHBondContact O-N 3.35Å; G161-S165 PolarHBondContact O-OG 3.4Å; G161-S165 VanDerWaalsContact O-OG 3.14Å
162M78.3Confident80.9Confident48 Ų4876.3 Ų76.324%0.23639%0.393CS..Hα-helixtrans-53.9-39173.7-175.5-178.769.800111.5F139 S158 F159 S165 I166F139-M162 HydrophobicContact CD1-SD 4.26Å; F139-M162 HydrophobicContact CE1-CE 4.38Å; F139-M162 HydrophobicContact CE1-SD 3.97Å; S158-M162 PolarHBondContact O-N 3.33Å; F159-M162 PolarHBondContact O-N 3.36Å; M162-S165 WeakPolarHBondContact O-CB 3.2Å; M162-S165 PolarHBondContact O-N 3.1Å; M162-I166 HydrophobicContact CG-CD1 4.42Å; M162-I166 WeakPolarHBondContact O-CG1 3.42Å; M162-I166 PolarHBondContact O-N 2.88Å
163L81.6Confident81.2Confident128 Ų12877.3 Ų77.367%0.6739%0.389SS*.Hα-helixtrans-65-41.1173.3-65.6176.5000112G161 S165 I166 V167G161-L163 PolarHBondContact O-N 3.39Å; L163-S165 VanDerWaalsContact C-N 3.31Å; L163-S165 PolarHBondContact O-N 3.28Å; L163-I166 HydrophobicContact CD2-CD1 4.49Å; L163-I166 WeakPolarHBondContact O-CB 3.15Å; L163-I166 PolarHBondContact O-N 3.33Å; L163-V167 VanDerWaalsContact O-CG2 3.29Å; L163-V167 WeakPolarHBondContact O-CG2 3.49Å; L163-V167 PolarHBondContact O-N 2.86Å
164D84.4Confident81.4Confident99 Ų9971.9 Ų71.953%0.52938%0.376SS..Hα-helixtrans-64.3-37.6176.2-170.843.3000111.8G161 V167 T168G161-D164 CarbonylContact O-C 3.53Å; G161-D164 WeakPolarHBondContact O-CA 3.13Å; G161-D164 WeakPolarHBondContact O-CB 3.46Å; G161-D164 PolarHBondContact O-N 3.38Å; D164-V167 PolarHBondContact O-N 3.34Å; D164-T168 VanDerWaalsContact O-CB 3.27Å; D164-T168 WeakPolarHBondContact O-CB 3.46Å; D164-T168 PolarHBondContact O-N 3.44Å; D164-T168 PolarHBondContact O-OG1 3.15Å
165S85.8Confident81.7Confident1 Ų173.8 Ų73.81%0.00739%0.387CS..Hα-helixtrans-63.2-44.3173.1-59.10000111.2Y157 G161 M162 L163 T168 I169Y157-S165 WeakPolarHBondContact CA-OG 3.28Å; G161-S165 PolarHBondContact O-N 3.35Å; G161-S165 PolarHBondContact O-OG 3.4Å; G161-S165 VanDerWaalsContact O-OG 3.14Å; M162-S165 WeakPolarHBondContact O-CB 3.2Å; M162-S165 PolarHBondContact O-N 3.1Å; L163-S165 VanDerWaalsContact C-N 3.31Å; L163-S165 PolarHBondContact O-N 3.28Å; S165-T168 PolarHBondContact O-N 2.9Å; S165-I169 VanDerWaalsContact O-CG1 3.23Å; S165-I169 WeakPolarHBondContact O-CG1 3.3Å; S165-I169 PolarHBondContact O-N 3.04Å
166I88.7Confident82.2Confident56 Ų5677.5 Ų77.529%0.28739%0.386SS..Hα-helixtrans-61.6-49.3174.9-69162.2000110.3I142 M162 L163 T168 I169 Y170 F178I142-I166 HydrophobicContact CD1-CD1 4.36Å; I142-I166 HydrophobicContact CD1-CG1 3.59Å; M162-I166 HydrophobicContact CG-CD1 4.42Å; M162-I166 WeakPolarHBondContact O-CG1 3.42Å; M162-I166 PolarHBondContact O-N 2.88Å; L163-I166 HydrophobicContact CD2-CD1 4.49Å; L163-I166 WeakPolarHBondContact O-CB 3.15Å; L163-I166 PolarHBondContact O-N 3.33Å; I166-T168 VanDerWaalsContact C-N 3.3Å; I166-T168 PolarHBondContact O-N 3.43Å; I166-I169 PolarHBondContact O-N 3.28Å; I166-Y170 WeakPolarHBondContact O-CB 3.48Å; I166-Y170 PolarHBondContact O-N 2.92Å; I166-F178 HydrophobicContact CB-CE1 4.48Å; I166-F178 HydrophobicContact CB-CZ 4.41Å; I166-F178 HydrophobicContact CG1-CE1 4.39Å; I166-F178 HydrophobicContact CG2-CE1 4.22Å; I166-F178 HydrophobicContact CG2-CZ 3.85Å; I166-F178 WeakPolarHBondContact O-CZ 3.16Å
167V88.6Confident82.7Confident86 Ų8675.3 Ų75.352%0.52138%0.378SS..Hα-helixtrans-60.3-42.4179.8170.80000111L163 D164 Y170 R171L163-V167 VanDerWaalsContact O-CG2 3.29Å; L163-V167 WeakPolarHBondContact O-CG2 3.49Å; L163-V167 PolarHBondContact O-N 2.86Å; D164-V167 PolarHBondContact O-N 3.34Å; V167-Y170 PolarHBondContact O-N 3.01Å; V167-R171 WeakPolarHBondContact O-CB 3.47Å; V167-R171 PolarHBondContact O-N 3.37Å
168T88.1Confident83.4Confident16 Ų1676 Ų7610%0.09838%0.381CS..Hα-helixtrans-62.1-48.6178.3-62.60000111.5K156 Y157 D164 S165 I166 Y170 R171 E172K156-T168 HydrophobicContact CG-CG2 4.21Å; Y157-T168 HydrophobicContact CE1-CG2 3.96Å; D164-T168 VanDerWaalsContact O-CB 3.27Å; D164-T168 WeakPolarHBondContact O-CB 3.46Å; D164-T168 PolarHBondContact O-N 3.44Å; D164-T168 PolarHBondContact O-OG1 3.15Å; S165-T168 PolarHBondContact O-N 2.9Å; I166-T168 VanDerWaalsContact C-N 3.3Å; I166-T168 PolarHBondContact O-N 3.43Å; T168-Y170 VanDerWaalsContact C-N 3.34Å; T168-Y170 PolarHBondContact O-N 2.96Å; T168-R171 PolarHBondContact O-N 2.91Å; T168-E172 WeakPolarHBondContact O-CB 3.44Å; T168-E172 WeakPolarHBondContact O-CG 3.4Å; T168-E172 PolarHBondContact O-N 3.03Å
169I90.1Very high84.6Confident0 Ų076.1 Ų76.10%037%0.374CS..Hα-helixtrans-61.5-45.6177.2-63.8174.3000110.4I142 Y157 S165 I166 R171 E172 E173 G174 F178I142-I169 HydrophobicContact CG1-CD1 3.73Å; Y157-I169 HydrophobicContact CE1-CD1 4.25Å; Y157-I169 HydrophobicContact CE1-CG1 3.71Å; S165-I169 VanDerWaalsContact O-CG1 3.23Å; S165-I169 WeakPolarHBondContact O-CG1 3.3Å; S165-I169 PolarHBondContact O-N 3.04Å; I166-I169 PolarHBondContact O-N 3.28Å; I169-R171 VanDerWaalsContact C-N 3.32Å; I169-R171 PolarHBondContact O-N 3.32Å; I169-E172 PolarHBondContact O-N 3.38Å; I169-E173 PolarHBondContact O-N 3.45Å; I169-G174 PolarHBondContact O-N 3.02Å; I169-F178 HydrophobicContact CB-CE1 3.86Å; I169-F178 HydrophobicContact CB-CE2 4.22Å; I169-F178 HydrophobicContact CB-CZ 3.66Å; I169-F178 HydrophobicContact CD1-CD1 4.45Å; I169-F178 HydrophobicContact CD1-CE1 4.02Å; I169-F178 HydrophobicContact CG2-CD1 4.01Å; I169-F178 HydrophobicContact CG2-CD2 4.03Å; I169-F178 HydrophobicContact CG2-CE1 3.75Å; I169-F178 HydrophobicContact CG2-CE2 3.76Å; I169-F178 HydrophobicContact CG2-CG 4.16Å; I169-F178 HydrophobicContact CG2-CZ 3.62Å
170Y91.4Very high86.3Confident153 Ų15371 Ų7160%0.636%0.356SS*.Hα-helixtrans-62.7-39-179.9-175.3-99.4000112.3I166 V167 T168 G174 F178I166-Y170 WeakPolarHBondContact O-CB 3.48Å; I166-Y170 PolarHBondContact O-N 2.92Å; V167-Y170 PolarHBondContact O-N 3.01Å; T168-Y170 VanDerWaalsContact C-N 3.34Å; T168-Y170 PolarHBondContact O-N 2.96Å; Y170-G174 WeakPolarHBondContact O-CA 3.2Å; Y170-G174 PolarHBondContact O-N 3.49Å; Y170-G174 VanDerWaalsContact O-N 3.1Å; Y170-F178 HydrophobicContact CD2-CE2 4.35Å
171R89.9Confident87.9Confident190 Ų19065.8 Ų65.872%0.71732%0.321SS*.Hα-helixtrans-73.1-37.5-179.9-167.1-17671.8-177.2-0.3112.8V167 T168 I169V167-R171 WeakPolarHBondContact O-CB 3.47Å; V167-R171 PolarHBondContact O-N 3.37Å; T168-R171 PolarHBondContact O-N 2.91Å; I169-R171 VanDerWaalsContact C-N 3.32Å; I169-R171 PolarHBondContact O-N 3.32Å
172E88.9Confident89.3Confident90 Ų9066 Ų6642%0.42132%0.317SS..Hα-helixtrans-90.8-36.3-173.8-66.9-179.1-177.200113.6K156 T168 I169K156-E172 WeakPolarHBondContact CE-OE1 3.49Å; K156-E172 WeakPolarHBondContact CE-OE2 3.29Å; K156-E172 IonicContact NZ-OE1 2.62Å; K156-E172 PolarHBondContact NZ-OE1 2.87Å; K156-E172 IonicContact NZ-OE2 2.66Å; K156-E172 PolarHBondContact NZ-OE2 3.43Å; T168-E172 WeakPolarHBondContact O-CB 3.44Å; T168-E172 WeakPolarHBondContact O-CG 3.4Å; T168-E172 PolarHBondContact O-N 3.03Å; I169-E172 PolarHBondContact O-N 3.38Å
173E88.8Confident90.1Very high51 Ų5167.4 Ų67.424%0.23833%0.328CS..Hα-helixtrans-121.7-9.1-173.3-64.4174-136.800113.3R145 I169 G177 C249R145-E173 IonicContact CZ-OE1 3.36Å; R145-E173 IonicContact CZ-OE2 3.62Å; R145-E173 IonicContact NH1-OE1 3.2Å; R145-E173 PolarHBondContact NH1-OE1 2.82Å; R145-E173 IonicContact NH1-OE2 3.15Å; R145-E173 PolarHBondContact NH1-OE2 3.4Å; R145-E173 IonicContact NH2-OE1 3.95Å; R145-E173 PolarHBondContact NH2-OE1 3.17Å; R145-E173 IonicContact NH2-OE2 3.5Å; R145-E173 PolarHBondContact NH2-OE2 2.89Å; I169-E173 PolarHBondContact O-N 3.45Å; E173-G177 VanDerWaalsContact OE2-CA 3.27Å; E173-G177 WeakPolarHBondContact OE2-CA 3.17Å; E173-C249 WeakPolarHBondContact OE1-CA 3.43Å; E173-C249 VanDerWaalsContact OE1-CB 3.3Å; E173-C249 WeakPolarHBondContact OE1-CB 3.25Å
174G91.3Very high90.8Very high24 Ų2461.3 Ų61.325%0.24730%0.296CS..Hα-helixtrans69.4-162.5-175.300000113.3I169 Y170 W176 G177I169-G174 PolarHBondContact O-N 3.02Å; Y170-G174 WeakPolarHBondContact O-CA 3.2Å; Y170-G174 PolarHBondContact O-N 3.49Å; Y170-G174 VanDerWaalsContact O-N 3.1Å; G174-W176 VanDerWaalsContact C-N 3.26Å; G174-W176 PolarHBondContact O-N 3.08Å; G174-G177 PolarHBondContact O-N 3.37Å
175I91Very high91.4Very high94 Ų9459.7 Ų59.748%0.48228%0.283SS..Hα-helixtrans-64.9-30.7-178.6-168.161000112.7G177 F178 F179I175-G177 VanDerWaalsContact C-N 3.29Å; I175-G177 PolarHBondContact O-N 3.11Å; I175-F178 HydrophobicContact CD1-CD2 4.29Å; I175-F178 PolarHBondContact O-N 3.36Å; I175-F179 HydrophobicContact CD1-CE2 4.15Å; I175-F179 HydrophobicContact CG1-CD2 4.42Å; I175-F179 HydrophobicContact CG1-CE2 4.08Å; I175-F179 WeakPolarHBondContact O-CD2 3.28Å
176W89.5Confident91.9Very high208 Ų20861.4 Ų61.479%0.78829%0.291SS*.Hα-helixtrans-68.9-26.4-177.5-67.9108.7000113G174 F178 F179 A180G174-W176 VanDerWaalsContact C-N 3.26Å; G174-W176 PolarHBondContact O-N 3.08Å; W176-F178 VanDerWaalsContact C-N 3.26Å; W176-F178 PolarHBondContact O-N 2.86Å; W176-F179 CarbonylContact O-C 3.58Å; W176-F179 PolarHBondContact O-N 3.22Å; W176-A180 PolarHBondContact O-N 3.46Å
177G89.1Confident92.3Very high4 Ų461.9 Ų61.94%0.04129%0.294CS..Hα-helixtrans-58.5-37.3174.500000112.8R145 E173 G174 I175 F179 A180R145-G177 PolarHBondContact NH2-O 2.76Å; E173-G177 VanDerWaalsContact OE2-CA 3.27Å; E173-G177 WeakPolarHBondContact OE2-CA 3.17Å; G174-G177 PolarHBondContact O-N 3.37Å; I175-G177 VanDerWaalsContact C-N 3.29Å; I175-G177 PolarHBondContact O-N 3.11Å; G177-F179 VanDerWaalsContact C-N 3.26Å; G177-F179 PolarHBondContact O-N 3.02Å; G177-A180 WeakPolarHBondContact O-CB 3.11Å; G177-A180 PolarHBondContact O-N 3.39Å
178F92.1Very high92.6Very high14 Ų1457.8 Ų57.86%0.06127%0.27CS..THydrogen-bonded Turntrans-70.9-20.3176.9-63-77.3000113.9H137 P138 V141 I142 I166 I169 Y170 I175 W176H137-F178 PolarHBondContact CD2-O 3.01Å; P138-F178 HydrophobicContact CB-CB 4.07Å; P138-F178 HydrophobicContact CB-CD1 3.88Å; P138-F178 HydrophobicContact CB-CG 4.31Å; P138-F178 HydrophobicContact CG-CB 4.18Å; V141-F178 WeakPolarHBondContact CG2-O 3.41Å; I142-F178 HydrophobicContact CD1-CE1 4.42Å; I166-F178 HydrophobicContact CB-CE1 4.48Å; I166-F178 HydrophobicContact CB-CZ 4.41Å; I166-F178 HydrophobicContact CG1-CE1 4.39Å; I166-F178 HydrophobicContact CG2-CE1 4.22Å; I166-F178 HydrophobicContact CG2-CZ 3.85Å; I166-F178 WeakPolarHBondContact O-CZ 3.16Å; I169-F178 HydrophobicContact CB-CE1 3.86Å; I169-F178 HydrophobicContact CB-CE2 4.22Å; I169-F178 HydrophobicContact CB-CZ 3.66Å; I169-F178 HydrophobicContact CD1-CD1 4.45Å; I169-F178 HydrophobicContact CD1-CE1 4.02Å; I169-F178 HydrophobicContact CG2-CD1 4.01Å; I169-F178 HydrophobicContact CG2-CD2 4.03Å; I169-F178 HydrophobicContact CG2-CE1 3.75Å; I169-F178 HydrophobicContact CG2-CE2 3.76Å; I169-F178 HydrophobicContact CG2-CG 4.16Å; I169-F178 HydrophobicContact CG2-CZ 3.62Å; Y170-F178 HydrophobicContact CD2-CE2 4.35Å; I175-F178 HydrophobicContact CD1-CD2 4.29Å; I175-F178 PolarHBondContact O-N 3.36Å; W176-F178 VanDerWaalsContact C-N 3.26Å; W176-F178 PolarHBondContact O-N 2.86Å
179F93.4Very high92.9Very high66 Ų6658.8 Ų58.829%0.28927%0.274SS..THydrogen-bonded Turntrans-103.95.9-178.9-66-72000113.3I134 I175 W176 G177 G181 L182I134-F179 HydrophobicContact CG2-CE1 4.49Å; I175-F179 HydrophobicContact CD1-CE2 4.15Å; I175-F179 HydrophobicContact CG1-CD2 4.42Å; I175-F179 HydrophobicContact CG1-CE2 4.08Å; I175-F179 WeakPolarHBondContact O-CD2 3.28Å; W176-F179 CarbonylContact O-C 3.58Å; W176-F179 PolarHBondContact O-N 3.22Å; G177-F179 VanDerWaalsContact C-N 3.26Å; G177-F179 PolarHBondContact O-N 3.02Å; F179-G181 PolarHBondContact O-N 3.16Å; F179-L182 HydrophobicContact CD1-CD2 3.79Å; F179-L182 HydrophobicContact CE1-CD2 4.47Å; F179-L182 VanDerWaalsContact O-CB 3.25Å; F179-L182 WeakPolarHBondContact O-CB 3.32Å; F179-L182 PolarHBondContact O-N 3.19Å; F179-L182 VanDerWaalsContact O-N 3.08Å
180A93.2Very high93.2Very high24 Ų2460.6 Ų60.620%0.19829%0.285CS..THydrogen-bonded Turntrans-58.6126.3174.600000110.7H137 W176 G177 L182 M244H137-A180 PolarHBondContact CE1-O 2.79Å; H137-A180 PolarHBondContact NE2-O 2.87Å; W176-A180 PolarHBondContact O-N 3.46Å; G177-A180 WeakPolarHBondContact O-CB 3.11Å; G177-A180 PolarHBondContact O-N 3.39Å; A180-L182 VanDerWaalsContact C-N 3.33Å; A180-L182 PolarHBondContact O-N 3.04Å; A180-M244 WeakPolarHBondContact CB-O 3.3Å
181G93.9Very high93.4Very high9 Ų956.4 Ų56.49%0.09327%0.273CS..THydrogen-bonded Turntrans77.27.2-177.700000116F179 P184 R185 S241F179-G181 PolarHBondContact O-N 3.16Å; G181-P184 WeakPolarHBondContact O-CD 3.28Å; G181-P184 WeakPolarHBondContact O-CG 3.32Å; G181-R185 WeakPolarHBondContact O-CB 3.37Å; G181-R185 PolarHBondContact O-N 3.41Å; G181-S241 WeakPolarHBondContact O-CB 3.36Å; G181-S241 PolarHBondContact O-OG 2.92Å
182L96.4Very high93.6Very high26 Ų2648.5 Ų48.514%0.13625%0.247CC..Hα-helixtrans-63.8-45.7179.1177.766.9000112.6T133 I134 H137 F179 A180 R185 L186T133-L182 HydrophobicContact CG2-CD1 4.35Å; I134-L182 HydrophobicContact CG1-CD1 4.36Å; I134-L182 HydrophobicContact CG1-CD2 4.42Å; H137-L182 HydrophobicContact CB-CD1 3.94Å; H137-L182 PolarHBondContact NE2-N 3.35Å; F179-L182 HydrophobicContact CD1-CD2 3.79Å; F179-L182 HydrophobicContact CE1-CD2 4.47Å; F179-L182 VanDerWaalsContact O-CB 3.25Å; F179-L182 WeakPolarHBondContact O-CB 3.32Å; F179-L182 PolarHBondContact O-N 3.19Å; F179-L182 VanDerWaalsContact O-N 3.08Å; A180-L182 VanDerWaalsContact C-N 3.33Å; A180-L182 PolarHBondContact O-N 3.04Å; L182-R185 WeakPolarHBondContact O-CA 3.45Å; L182-R185 VanDerWaalsContact O-CB 3.3Å; L182-R185 WeakPolarHBondContact O-CB 3.36Å; L182-R185 PolarHBondContact O-N 2.83Å; L182-R185 VanDerWaalsContact O-N 3.1Å; L182-L186 HydrophobicContact CD1-CD1 3.94Å; L182-L186 HydrophobicContact CD1-CD2 4.41Å; L182-L186 HydrophobicContact CD1-CG 3.88Å; L182-L186 HydrophobicContact CD2-CD1 4.17Å; L182-L186 HydrophobicContact CG-CD1 3.8Å; L182-L186 HydrophobicContact CG-CG 4.16Å; L182-L186 PolarHBondContact O-N 2.98Å
183V96.5Very high93.8Very high76 Ų7644.3 Ų44.346%0.46123%0.228SC..Hα-helixtrans-57.1-56.2-177.1176.30000112.5R185 L186 L187 W265V183-R185 PolarHBondContact O-N 3.44Å; V183-L186 PolarHBondContact O-N 3.46Å; V183-L187 HydrophobicContact CG1-CD1 4.28Å; V183-L187 WeakPolarHBondContact O-CG 3.36Å; V183-L187 PolarHBondContact O-N 3.24Å; V183-W265 HydrophobicContact CG1-CZ2 4.33Å
184P96.5Very high94.1Very high1 Ų145.7 Ų45.71%0.00623%0.23CC..Hα-helixtrans-63.3-28176.625.6-35.5000112.4G181 A188 V240 W265G181-P184 WeakPolarHBondContact O-CD 3.28Å; G181-P184 WeakPolarHBondContact O-CG 3.32Å; P184-A188 WeakPolarHBondContact O-CB 3.37Å; P184-A188 PolarHBondContact O-N 2.95Å; P184-V240 HydrophobicContact CB-CB 4.47Å; P184-V240 HydrophobicContact CB-CG1 4.23Å; P184-V240 HydrophobicContact CG-CG1 4.22Å; P184-W265 HydrophobicContact CG-CB 4.16Å; P184-W265 HydrophobicContact CG-CG 4.44Å
185R96.3Very high94.1Very high64 Ų6446.7 Ų46.724%0.24223%0.23CC..Hα-helixtrans-64.1-51.6174.4-176.458.6-173.7-129.62.6111.9T133 H140 G181 L182 V183 L187 A188 D189 S241T133-R185 HydrophobicContact CG2-CG 3.77Å; H140-R185 PolarHBondContact NE2-NH1 3.26Å; G181-R185 WeakPolarHBondContact O-CB 3.37Å; G181-R185 PolarHBondContact O-N 3.41Å; L182-R185 WeakPolarHBondContact O-CA 3.45Å; L182-R185 VanDerWaalsContact O-CB 3.3Å; L182-R185 WeakPolarHBondContact O-CB 3.36Å; L182-R185 PolarHBondContact O-N 2.83Å; L182-R185 VanDerWaalsContact O-N 3.1Å; V183-R185 PolarHBondContact O-N 3.44Å; R185-L187 VanDerWaalsContact C-N 3.31Å; R185-L187 PolarHBondContact O-N 3.44Å; R185-A188 WeakPolarHBondContact O-CB 3.48Å; R185-A188 PolarHBondContact O-N 3.23Å; R185-A188 VanDerWaalsContact O-N 3.13Å; R185-D189 IonicContact NE-OD1 3.56Å; R185-D189 IonicContact NE-OD2 3.5Å; R185-D189 PolarHBondContact NE-OD2 2.99Å; R185-D189 VanDerWaalsContact NE-OD2 3.15Å; R185-D189 PolarHBondContact O-N 2.75Å; R185-S241 WeakPolarHBondContact CB-OG 3.18Å
186L97Very high94.2Very high37 Ų3743.5 Ų43.519%0.19422%0.216CC..Hα-helixtrans-61.4-41.1178.6-71.6174.1000111.4T133 I134 L182 V183 A188 D189 V190T133-L186 HydrophobicContact CG2-CD2 3.8Å; I134-L186 HydrophobicContact CG1-CD1 4.25Å; I134-L186 HydrophobicContact CG1-CD2 4.28Å; L182-L186 HydrophobicContact CD1-CD1 3.94Å; L182-L186 HydrophobicContact CD1-CD2 4.41Å; L182-L186 HydrophobicContact CD1-CG 3.88Å; L182-L186 HydrophobicContact CD2-CD1 4.17Å; L182-L186 HydrophobicContact CG-CD1 3.8Å; L182-L186 HydrophobicContact CG-CG 4.16Å; L182-L186 PolarHBondContact O-N 2.98Å; V183-L186 PolarHBondContact O-N 3.46Å; L186-A188 VanDerWaalsContact C-N 3.33Å; L186-A188 PolarHBondContact O-N 3.22Å; L186-D189 PolarHBondContact O-N 3.21Å; L186-V190 WeakPolarHBondContact O-CB 3.29Å; L186-V190 VanDerWaalsContact O-CG2 3.22Å; L186-V190 WeakPolarHBondContact O-CG2 3.42Å; L186-V190 PolarHBondContact O-N 3.18Å
187L96.5Very high94.2Very high66 Ų6635.8 Ų35.835%0.34619%0.19SC..Hα-helixtrans-59.3-44.4173.9-71.2175.9000111.4V183 R185 L191 F237 W265V183-L187 HydrophobicContact CG1-CD1 4.28Å; V183-L187 WeakPolarHBondContact O-CG 3.36Å; V183-L187 PolarHBondContact O-N 3.24Å; R185-L187 VanDerWaalsContact C-N 3.31Å; R185-L187 PolarHBondContact O-N 3.44Å; L187-L191 WeakPolarHBondContact O-CB 3.49Å; L187-L191 WeakPolarHBondContact O-CD1 3.46Å; L187-L191 WeakPolarHBondContact O-CG 3.29Å; L187-L191 PolarHBondContact O-N 2.89Å; L187-F237 HydrophobicContact CB-CD1 4.03Å; L187-F237 HydrophobicContact CB-CE1 4.28Å; L187-F237 HydrophobicContact CD1-CD1 4.27Å; L187-F237 HydrophobicContact CD1-CE1 4.04Å; L187-W265 HydrophobicContact CD1-CH2 4.15Å; L187-W265 HydrophobicContact CD1-CZ2 4.31Å
188A95.6Very high94.3Very high1 Ų139.3 Ų39.31%0.00821%0.207CC..Hα-helixtrans-60.2-48.2176.500000111.7P184 R185 L186 S192 F237 V238P184-A188 WeakPolarHBondContact O-CB 3.37Å; P184-A188 PolarHBondContact O-N 2.95Å; R185-A188 WeakPolarHBondContact O-CB 3.48Å; R185-A188 PolarHBondContact O-N 3.23Å; R185-A188 VanDerWaalsContact O-N 3.13Å; L186-A188 VanDerWaalsContact C-N 3.33Å; L186-A188 PolarHBondContact O-N 3.22Å; A188-S192 WeakPolarHBondContact O-CB 3.41Å; A188-S192 PolarHBondContact O-N 3.06Å; A188-F237 HydrophobicContact CB-CB 3.67Å; A188-V238 HydrophobicContact CB-CG2 3.73Å
189D94.6Very high94.1Very high36 Ų3641.7 Ų41.719%0.19322%0.22CC..Hα-helixtrans-66.5-41.9-176.2-68.5-31.8000111.7T133 R185 L186 L193T133-D189 PolarHBondContact OG1-OD2 3.04Å; R185-D189 IonicContact NE-OD1 3.56Å; R185-D189 IonicContact NE-OD2 3.5Å; R185-D189 PolarHBondContact NE-OD2 2.99Å; R185-D189 VanDerWaalsContact NE-OD2 3.15Å; R185-D189 PolarHBondContact O-N 2.75Å; L186-D189 PolarHBondContact O-N 3.21Å; D189-L193 WeakPolarHBondContact O-CB 3.37Å; D189-L193 PolarHBondContact O-N 2.93Å; D189-L193 VanDerWaalsContact O-N 3.09Å
190V95.4Very high93.8Very high38 Ų3839.1 Ų39.123%0.2321%0.211CC..Hα-helixtrans-66.6-53.6176.4172.90000110.6M126 L186 S192 L193 W194M126-V190 HydrophobicContact CG-CG1 4.35Å; M126-V190 HydrophobicContact CG-CG2 3.96Å; M126-V190 HydrophobicContact SD-CG1 3.72Å; M126-V190 HydrophobicContact SD-CG2 4.2Å; L186-V190 WeakPolarHBondContact O-CB 3.29Å; L186-V190 VanDerWaalsContact O-CG2 3.22Å; L186-V190 WeakPolarHBondContact O-CG2 3.42Å; L186-V190 PolarHBondContact O-N 3.18Å; V190-S192 VanDerWaalsContact C-N 3.28Å; V190-S192 PolarHBondContact O-N 3.3Å; V190-L193 PolarHBondContact O-N 3.4Å; V190-W194 VanDerWaalsContact O-CD1 3.27Å; V190-W194 PolarHBondContact O-N 3.15Å
191L95.3Very high93.4Very high66 Ų6639.9 Ų39.935%0.34621%0.211SC..Hα-helixtrans-60-41.7-179.5-69.5172.8000111L187 L193 W194 I195 T234 F237L187-L191 WeakPolarHBondContact O-CB 3.49Å; L187-L191 WeakPolarHBondContact O-CD1 3.46Å; L187-L191 WeakPolarHBondContact O-CG 3.29Å; L187-L191 PolarHBondContact O-N 2.89Å; L191-L193 VanDerWaalsContact C-N 3.33Å; L191-L193 PolarHBondContact O-N 2.9Å; L191-W194 PolarHBondContact O-N 3.46Å; L191-I195 HydrophobicContact CB-CD1 4.43Å; L191-I195 VanDerWaalsContact O-CB 3.28Å; L191-I195 WeakPolarHBondContact O-CB 3.32Å; L191-I195 WeakPolarHBondContact O-CD1 3.42Å; L191-I195 WeakPolarHBondContact O-CG1 3.29Å; L191-I195 PolarHBondContact O-N 3.04Å; L191-T234 HydrophobicContact CB-CG2 3.73Å; L191-F237 HydrophobicContact CD1-CD2 4.26Å; L191-F237 HydrophobicContact CD1-CE2 3.76Å; L191-F237 HydrophobicContact CD1-CZ 4.01Å
192S94.3Very high93Very high24 Ų2443 Ų4317%0.16823%0.227CC..Hα-helixtrans-65.1-39-179.5-173.90000111.4A188 V190 C196 A230A188-S192 WeakPolarHBondContact O-CB 3.41Å; A188-S192 PolarHBondContact O-N 3.06Å; V190-S192 VanDerWaalsContact C-N 3.28Å; V190-S192 PolarHBondContact O-N 3.3Å; S192-C196 WeakPolarHBondContact O-CB 3.49Å; S192-C196 PolarHBondContact O-N 3Å; S192-A230 WeakPolarHBondContact O-CB 3.29Å
193L93.8Very high92.4Very high2 Ų244.2 Ų44.21%0.0123%0.234CC..Hα-helixtrans-64.6-51.7177175.465.7000111.1E125 M126 D189 V190 L191 C196 N197E125-L193 HydrophobicContact CB-CD1 4.39Å; E125-L193 HydrophobicContact CB-CD2 4.1Å; E125-L193 HydrophobicContact CG-CD1 3.73Å; E125-L193 HydrophobicContact CG-CD2 3.99Å; M126-L193 VanDerWaalsContact CA-CD2 3.48Å; M126-L193 HydrophobicContact CB-CD2 3.74Å; M126-L193 VanDerWaalsContact N-CD2 3.35Å; D189-L193 WeakPolarHBondContact O-CB 3.37Å; D189-L193 PolarHBondContact O-N 2.93Å; D189-L193 VanDerWaalsContact O-N 3.09Å; V190-L193 PolarHBondContact O-N 3.4Å; L191-L193 VanDerWaalsContact C-N 3.33Å; L191-L193 PolarHBondContact O-N 2.9Å; L193-C196 PolarHBondContact O-N 2.91Å; L193-N197 WeakPolarHBondContact CD1-ND2 3.41Å; L193-N197 WeakPolarHBondContact O-CB 3.39Å; L193-N197 PolarHBondContact O-N 3.34Å
194W93.9Very high91.6Very high79 Ų7942.8 Ų42.830%0.29922%0.224SC..Hα-helixtrans-63.8-44.9-178.5-80.888.7000111.9M126 V190 L191 C196 N197 L198M126-W194 PolarHBondContact SD-NE1 3.46Å; V190-W194 VanDerWaalsContact O-CD1 3.27Å; V190-W194 PolarHBondContact O-N 3.15Å; L191-W194 PolarHBondContact O-N 3.46Å; W194-C196 PolarHBondContact O-N 3.31Å; W194-N197 PolarHBondContact O-N 2.92Å; W194-L198 HydrophobicContact CE3-CD1 4.48Å; W194-L198 VanDerWaalsContact O-CB 3.27Å; W194-L198 WeakPolarHBondContact O-CB 3.38Å; W194-L198 WeakPolarHBondContact O-CG 3.36Å; W194-L198 PolarHBondContact O-N 2.9Å
195I92.9Very high90.7Very high45 Ų4545.4 Ų45.423%0.23124%0.24CC..Hα-helixtrans-60.4-46.5176-68.5166.3000110.4L191 L199 A230 L233 T234L191-I195 HydrophobicContact CB-CD1 4.43Å; L191-I195 VanDerWaalsContact O-CB 3.28Å; L191-I195 WeakPolarHBondContact O-CB 3.32Å; L191-I195 WeakPolarHBondContact O-CD1 3.42Å; L191-I195 WeakPolarHBondContact O-CG1 3.29Å; L191-I195 PolarHBondContact O-N 3.04Å; I195-L199 HydrophobicContact CG2-CD1 3.58Å; I195-L199 HydrophobicContact CG2-CG 4.22Å; I195-L199 VanDerWaalsContact O-CB 3.23Å; I195-L199 WeakPolarHBondContact O-CB 3.41Å; I195-L199 WeakPolarHBondContact O-CG 3.22Å; I195-L199 PolarHBondContact O-N 3.46Å; I195-A230 HydrophobicContact CB-CB 4.17Å; I195-A230 HydrophobicContact CG2-CB 3.87Å; I195-L233 HydrophobicContact CD1-CB 4.36Å; I195-L233 HydrophobicContact CD1-CD1 4.18Å; I195-L233 HydrophobicContact CG2-CD1 4.22Å; I195-T234 HydrophobicContact CD1-CG2 4.47Å
196C91.8Very high89.7Confident28 Ų2851.1 Ų51.119%0.18926%0.263CS..Hα-helixtrans-61.8-46.8-179.9-174.10000111.9S192 L193 W194 A200 T226 A230S192-C196 WeakPolarHBondContact O-CB 3.49Å; S192-C196 PolarHBondContact O-N 3Å; L193-C196 PolarHBondContact O-N 2.91Å; W194-C196 PolarHBondContact O-N 3.31Å; C196-A200 WeakPolarHBondContact O-CB 3.39Å; C196-A200 PolarHBondContact O-N 3.01Å; C196-T226 PolarHBondContact SG-OG1 3.35Å; C196-A230 HydrophobicContact CB-CB 4.06Å
197N90.4Very high88.4Confident46 Ų4651.9 Ų51.925%0.24627%0.274CS..Hα-helixtrans-69.8-40.6-177.8-71.8-4.3000112.2S122 L193 W194 A200 H201S122-N197 PolarHBondContact OG-ND2 3.47Å; L193-N197 WeakPolarHBondContact CD1-ND2 3.41Å; L193-N197 WeakPolarHBondContact O-CB 3.39Å; L193-N197 PolarHBondContact O-N 3.34Å; W194-N197 PolarHBondContact O-N 2.92Å; N197-A200 PolarHBondContact O-N 2.91Å; N197-H201 WeakPolarHBondContact O-CB 3.29Å; N197-H201 PolarHBondContact O-N 3.29Å
198L89.6Confident86.9Confident77 Ų7750.4 Ų50.440%0.40327%0.266SS..Hα-helixtrans-66.3-45.4175.8-69.9173.6000111.4L115 W194 A200 H201 V202L115-L198 HydrophobicContact CD1-CD2 4.44Å; W194-L198 HydrophobicContact CE3-CD1 4.48Å; W194-L198 VanDerWaalsContact O-CB 3.27Å; W194-L198 WeakPolarHBondContact O-CB 3.38Å; W194-L198 WeakPolarHBondContact O-CG 3.36Å; W194-L198 PolarHBondContact O-N 2.9Å; L198-A200 VanDerWaalsContact C-N 3.33Å; L198-A200 PolarHBondContact O-N 3.42Å; L198-H201 PolarHBondContact O-N 2.92Å; L198-V202 WeakPolarHBondContact O-CG2 3.34Å; L198-V202 PolarHBondContact O-N 3.21Å
199L88.8Confident85.3Confident64 Ų6457.2 Ų57.234%0.33530%0.302SS..Hα-helixtrans-62.7-41.4175.3-73.5172.9000111.4I195 H201 V202 I203 T226 F229I195-L199 HydrophobicContact CG2-CD1 3.58Å; I195-L199 HydrophobicContact CG2-CG 4.22Å; I195-L199 VanDerWaalsContact O-CB 3.23Å; I195-L199 WeakPolarHBondContact O-CB 3.41Å; I195-L199 WeakPolarHBondContact O-CG 3.22Å; I195-L199 PolarHBondContact O-N 3.46Å; L199-H201 VanDerWaalsContact C-N 3.33Å; L199-H201 PolarHBondContact O-N 3.32Å; L199-V202 PolarHBondContact O-N 3.09Å; L199-I203 VanDerWaalsContact O-CG1 3.28Å; L199-I203 WeakPolarHBondContact O-CG1 3.23Å; L199-I203 PolarHBondContact O-N 2.75Å; L199-T226 HydrophobicContact CB-CG2 3.53Å; L199-F229 HydrophobicContact CD1-CB 4.23Å
200A86.5Confident83.5Confident13 Ų1362.7 Ų62.711%0.10733%0.332CS..Hα-helixtrans-63.8-40.7177.400000111.1C196 N197 L198 I203 N204 T226C196-A200 WeakPolarHBondContact O-CB 3.39Å; C196-A200 PolarHBondContact O-N 3.01Å; N197-A200 PolarHBondContact O-N 2.91Å; L198-A200 VanDerWaalsContact C-N 3.33Å; L198-A200 PolarHBondContact O-N 3.42Å; A200-I203 PolarHBondContact O-N 2.83Å; A200-N204 VanDerWaalsContact O-CB 3.26Å; A200-N204 WeakPolarHBondContact O-CB 3.36Å; A200-N204 PolarHBondContact O-N 2.93Å; A200-N204 PolarHBondContact O-ND2 3.04Å; A200-T226 HydrophobicContact CB-CG2 4.48Å
201H85.1Confident81.6Confident40 Ų4063 Ų6319%0.18534%0.335CS..Hα-helixtrans-61.3-49.7174.1179.265.3000111.2N197 L198 L199 I203 N204 T205N197-H201 WeakPolarHBondContact O-CB 3.29Å; N197-H201 PolarHBondContact O-N 3.29Å; L198-H201 PolarHBondContact O-N 2.92Å; L199-H201 VanDerWaalsContact C-N 3.33Å; L199-H201 PolarHBondContact O-N 3.32Å; H201-I203 PolarHBondContact O-N 3.37Å; H201-N204 PolarHBondContact O-N 3.36Å; H201-T205 WeakPolarHBondContact O-CB 3.1Å; H201-T205 PolarHBondContact O-N 2.81Å; H201-T205 PolarHBondContact O-OG1 2.91Å
202V85.5Confident79.8Confident73 Ų7369 Ų6944%0.44236%0.364SS..Hα-helixtrans-58-47.9176.9171.40000111.1L198 L199 N204 T205 Y206L198-V202 WeakPolarHBondContact O-CG2 3.34Å; L198-V202 PolarHBondContact O-N 3.21Å; L199-V202 PolarHBondContact O-N 3.09Å; V202-N204 PolarHBondContact O-N 3.37Å; V202-T205 PolarHBondContact O-N 3.36Å; V202-Y206 HydrophobicContact CG1-CD2 3.87Å; V202-Y206 HydrophobicContact CG1-CE2 4.32Å; V202-Y206 WeakPolarHBondContact O-CB 3.49Å; V202-Y206 VanDerWaalsContact O-CD2 3.29Å; V202-Y206 WeakPolarHBondContact O-CD2 3.37Å; V202-Y206 PolarHBondContact O-N 3.47Å
203I83.4Confident78Confident52 Ų5272.8 Ų72.827%0.26739%0.391SS..Hα-helixtrans-65.3-41.8179.9-65.3171.5000111L199 A200 H201 A207 S222 T226L199-I203 VanDerWaalsContact O-CG1 3.28Å; L199-I203 WeakPolarHBondContact O-CG1 3.23Å; L199-I203 PolarHBondContact O-N 2.75Å; A200-I203 PolarHBondContact O-N 2.83Å; H201-I203 PolarHBondContact O-N 3.37Å; I203-A207 HydrophobicContact CG2-CB 3.99Å; I203-A207 WeakPolarHBondContact O-CA 3.19Å; I203-A207 WeakPolarHBondContact O-CB 3.27Å; I203-A207 PolarHBondContact O-N 2.87Å; I203-S222 WeakPolarHBondContact CG2-OG 3.19Å; I203-T226 HydrophobicContact CD1-CG2 3.39Å
204N80.3Confident76.4Confident47 Ų4778.1 Ų78.125%0.25142%0.415SS..Hα-helixtrans-65.7-41.3179.5-67.7-24.5000111.5A200 H201 V202 I208A200-N204 VanDerWaalsContact O-CB 3.26Å; A200-N204 WeakPolarHBondContact O-CB 3.36Å; A200-N204 PolarHBondContact O-N 2.93Å; A200-N204 PolarHBondContact O-ND2 3.04Å; H201-N204 PolarHBondContact O-N 3.36Å; V202-N204 PolarHBondContact O-N 3.37Å; N204-I208 HydrophobicContact CB-CD1 4.16Å; N204-I208 WeakPolarHBondContact O-CB 3.42Å; N204-I208 PolarHBondContact O-N 3.24Å; N204-I208 VanDerWaalsContact OD1-CD1 3.24Å; N204-I208 WeakPolarHBondContact OD1-CD1 3.34Å
205T78.9Confident75.1Confident56 Ų5677.8 Ų77.834%0.34442%0.422SS..Hα-helixtrans-70.3-41.4178.8-55.60000112.1H201 V202H201-T205 WeakPolarHBondContact O-CB 3.1Å; H201-T205 PolarHBondContact O-N 2.81Å; H201-T205 PolarHBondContact O-OG1 2.91Å; V202-T205 PolarHBondContact O-N 3.36Å
206Y75.1Confident74Confident184 Ų18478 Ų7872%0.72244%0.435SS*.Hα-helixtrans-92.1-29.9-174.5-76.2-86000114.9V202V202-Y206 HydrophobicContact CG1-CD2 3.87Å; V202-Y206 HydrophobicContact CG1-CE2 4.32Å; V202-Y206 WeakPolarHBondContact O-CB 3.49Å; V202-Y206 VanDerWaalsContact O-CD2 3.29Å; V202-Y206 WeakPolarHBondContact O-CD2 3.37Å; V202-Y206 PolarHBondContact O-N 3.47Å
207A69.2Low73.1Confident52 Ų5283 Ų8343%0.4346%0.456SS..Hα-helixtrans-98.7-30.1-174.700000113.8I203I203-A207 HydrophobicContact CG2-CB 3.99Å; I203-A207 WeakPolarHBondContact O-CA 3.19Å; I203-A207 WeakPolarHBondContact O-CB 3.27Å; I203-A207 PolarHBondContact O-N 2.87Å
208I64.8Low72.4Confident36 Ų3683.9 Ų83.919%0.18546%0.46CS..SBendtrans-90.9-20.2-173.6-57.6-179.4000112.3N204 N210 S211 T215N204-I208 HydrophobicContact CB-CD1 4.16Å; N204-I208 WeakPolarHBondContact O-CB 3.42Å; N204-I208 PolarHBondContact O-N 3.24Å; N204-I208 VanDerWaalsContact OD1-CD1 3.24Å; N204-I208 WeakPolarHBondContact OD1-CD1 3.34Å; I208-N210 PolarHBondContact O-N 3.48Å; I208-S211 PolarHBondContact O-N 3.26Å; I208-T215 HydrophobicContact CG2-CG2 3.97Å
209D61Low71.6Confident143 Ų14386.6 Ų86.677%0.76547%0.465SS*.THydrogen-bonded Turntrans-65.3-12.3179.7-142.525.8000113.3
210N57.3Low71.1Confident151 Ų15188.6 Ų88.681%0.80748%0.476SS*.THydrogen-bonded Turntrans-112.30-177.1-76.8-36.9000116I208I208-N210 PolarHBondContact O-N 3.48Å
211S56.6Low70.9Confident44 Ų4491.7 Ų91.731%0.30850%0.495SS..  trans-13297.7-175.175.20000114.2I208 S213I208-S211 PolarHBondContact O-N 3.26Å; S211-S213 PolarHBondContact O-N 2.85Å
212M57.5Low70.7Confident193 Ų19390.2 Ų90.295%0.95149%0.49SS*.SBendtrans-86.188.4176.1-164.3-179.7172.700110
213S56Low70.5Confident104 Ų10491.1 Ų91.173%0.72749%0.489SS*.SBendtrans171.4-28.9154.8400000116S211S211-S213 PolarHBondContact O-N 2.85Å
214H60.1Low70.6Confident114 Ų11491.9 Ų91.953%0.52850%0.503SS..  trans-113.335.2-175.3-81.7-92.2000115.1G216 E217 I218H214-G216 VanDerWaalsContact C-N 3.33Å; H214-G216 PolarHBondContact O-N 3.42Å; H214-E217 IonicContact CE1-OE2 2.77Å; H214-E217 IonicContact ND1-OE2 2.68Å; H214-E217 PolarHBondContact ND1-OE2 3.4Å; H214-I218 HydrophobicContact CB-CD1 3.83Å; H214-I218 HydrophobicContact CB-CG1 4.29Å; H214-I218 WeakPolarHBondContact O-CD1 3.49Å; H214-I218 VanDerWaalsContact O-CG1 3.3Å; H214-I218 WeakPolarHBondContact O-CG1 3.22Å; H214-I218 PolarHBondContact O-N 3.26Å
215T66.2Low70.9Confident71 Ų7192.6 Ų92.644%0.43651%0.509SS..Hα-helixtrans-60.5-32.3-168.8-47.60000115I208 R219I208-T215 HydrophobicContact CG2-CG2 3.97Å; T215-R219 VanDerWaalsContact O-CB 3.24Å; T215-R219 WeakPolarHBondContact O-CB 3.39Å; T215-R219 PolarHBondContact O-N 3.46Å
216G69.2Low71.4Confident49 Ų4990 Ų9051%0.50549%0.493SS..Hα-helixtrans-74.2-47.6-176.300000114.4H214 R219 N220H214-G216 VanDerWaalsContact C-N 3.33Å; H214-G216 PolarHBondContact O-N 3.42Å; G216-R219 PolarHBondContact O-N 2.85Å; G216-N220 PolarHBondContact O-N 2.69Å; G216-N220 VanDerWaalsContact O-N 3.15Å
217E74.1Confident72Confident135 Ų13582.3 Ų82.363%0.63147%0.47SS*.Hα-helixtrans-70-40.8-178.9-64177.8149.700111.5H214 R219 N220 C221H214-E217 IonicContact CE1-OE2 2.77Å; H214-E217 IonicContact ND1-OE2 2.68Å; H214-E217 PolarHBondContact ND1-OE2 3.4Å; E217-R219 VanDerWaalsContact C-N 3.3Å; E217-R219 PolarHBondContact O-N 3.36Å; E217-N220 PolarHBondContact O-N 3.04Å; E217-C221 WeakPolarHBondContact O-CB 3.1Å; E217-C221 PolarHBondContact O-N 3.48Å
218I74.3Confident73Confident64 Ų6486.3 Ų86.333%0.32848%0.478SS..Hα-helixtrans-63.2-38.5176.9-64.5171.7000110.5H214 C221 S222H214-I218 HydrophobicContact CB-CD1 3.83Å; H214-I218 HydrophobicContact CB-CG1 4.29Å; H214-I218 WeakPolarHBondContact O-CD1 3.49Å; H214-I218 VanDerWaalsContact O-CG1 3.3Å; H214-I218 WeakPolarHBondContact O-CG1 3.22Å; H214-I218 PolarHBondContact O-N 3.26Å; I218-C221 PolarHBondContact O-N 3.15Å; I218-S222 VanDerWaalsContact O-CB 3.22Å; I218-S222 WeakPolarHBondContact O-CB 3.4Å; I218-S222 PolarHBondContact O-N 2.97Å
219R73.3Confident74.2Confident134 Ų13489.3 Ų89.351%0.50649%0.49SS..Hα-helixtrans-66.3-42.6176.4-173.8176.9179.9179.51.9112.3T215 G216 E217 S222 Q223T215-R219 VanDerWaalsContact O-CB 3.24Å; T215-R219 WeakPolarHBondContact O-CB 3.39Å; T215-R219 PolarHBondContact O-N 3.46Å; G216-R219 PolarHBondContact O-N 2.85Å; E217-R219 VanDerWaalsContact C-N 3.3Å; E217-R219 PolarHBondContact O-N 3.36Å; R219-S222 WeakPolarHBondContact O-CB 3.26Å; R219-S222 PolarHBondContact O-N 3.41Å; R219-Q223 WeakPolarHBondContact O-CG 3.26Å; R219-Q223 PolarHBondContact O-N 2.95Å
220N79Confident75.7Confident106 Ų10682.5 Ų82.557%0.56745%0.453SS*.Hα-helixtrans-64.9-42.4176.1-72.6-6.6000111.6G216 E217 Q223 A224G216-N220 PolarHBondContact O-N 2.69Å; G216-N220 VanDerWaalsContact O-N 3.15Å; E217-N220 PolarHBondContact O-N 3.04Å; N220-Q223 PolarHBondContact O-N 3.42Å; N220-A224 PolarHBondContact O-N 3.19Å
221C81.6Confident77.3Confident77 Ų7778.4 Ų78.452%0.5244%0.436SS..Hα-helixtrans-62-46.5175.2-1730000111.2E217 I218 Q223 A224 V225E217-C221 WeakPolarHBondContact O-CB 3.1Å; E217-C221 PolarHBondContact O-N 3.48Å; I218-C221 PolarHBondContact O-N 3.15Å; C221-Q223 PolarHBondContact O-N 3.08Å; C221-A224 PolarHBondContact O-N 2.83Å; C221-V225 VanDerWaalsContact O-CG2 3.29Å; C221-V225 WeakPolarHBondContact O-CG2 3.46Å; C221-V225 PolarHBondContact O-N 2.95Å
222S80.9Confident78.9Confident9 Ų980.6 Ų80.66%0.06344%0.443CS..Hα-helixtrans-54.9-50.6175171.90000111.4I203 I218 R219 A224 V225 T226I203-S222 WeakPolarHBondContact CG2-OG 3.19Å; I218-S222 VanDerWaalsContact O-CB 3.22Å; I218-S222 WeakPolarHBondContact O-CB 3.4Å; I218-S222 PolarHBondContact O-N 2.97Å; R219-S222 WeakPolarHBondContact O-CB 3.26Å; R219-S222 PolarHBondContact O-N 3.41Å; S222-A224 VanDerWaalsContact C-N 3.32Å; S222-A224 PolarHBondContact O-N 3.45Å; S222-V225 PolarHBondContact O-N 3.39Å; S222-V225 VanDerWaalsContact O-N 3.16Å; S222-T226 WeakPolarHBondContact O-CG2 3.35Å; S222-T226 PolarHBondContact O-N 3.43Å; S222-T226 PolarHBondContact O-OG1 2.92Å
223Q81.9Confident80.5Confident93 Ų9376.3 Ų76.344%0.43542%0.423SS..Hα-helixtrans-60.7-38.6178-74.2179.6-21.800113.2R219 N220 C221 T226 G227R219-Q223 WeakPolarHBondContact O-CG 3.26Å; R219-Q223 PolarHBondContact O-N 2.95Å; N220-Q223 PolarHBondContact O-N 3.42Å; C221-Q223 PolarHBondContact O-N 3.08Å; Q223-T226 PolarHBondContact O-OG1 3.3Å; Q223-G227 PolarHBondContact O-N 3.15Å
224A85.3Confident82.4Confident68 Ų6871.7 Ų71.756%0.56239%0.391SS*.Hα-helixtrans-66.3-42.417600000111.6N220 C221 S222 F228N220-A224 PolarHBondContact O-N 3.19Å; C221-A224 PolarHBondContact O-N 2.83Å; S222-A224 VanDerWaalsContact C-N 3.32Å; S222-A224 PolarHBondContact O-N 3.45Å; A224-F228 PolarHBondContact O-N 2.93Å
225V87.3Confident84Confident62 Ų6266.9 Ų66.938%0.37637%0.368SS..Hα-helixtrans-65.2-49.4178.61720000110.9C221 S222 G227 F228 F229C221-V225 VanDerWaalsContact O-CG2 3.29Å; C221-V225 WeakPolarHBondContact O-CG2 3.46Å; C221-V225 PolarHBondContact O-N 2.95Å; S222-V225 PolarHBondContact O-N 3.39Å; S222-V225 VanDerWaalsContact O-N 3.16Å; V225-G227 VanDerWaalsContact C-N 3.31Å; V225-G227 PolarHBondContact O-N 3.43Å; V225-F228 WeakPolarHBondContact O-CB 3.25Å; V225-F228 PolarHBondContact O-N 3.23Å; V225-F228 VanDerWaalsContact O-N 3.17Å; V225-F229 HydrophobicContact CG1-CD2 3.67Å; V225-F229 HydrophobicContact CG1-CE2 3.53Å; V225-F229 VanDerWaalsContact O-CD2 3.22Å; V225-F229 WeakPolarHBondContact O-CD2 3.33Å; V225-F229 PolarHBondContact O-N 3.19Å
226T88.2Confident85.4Confident1 Ų164.7 Ų64.71%0.00636%0.355CS..Hα-helixtrans-62.8-39178.559.10000111.9C196 L199 A200 I203 S222 Q223 F228 F229 A230C196-T226 PolarHBondContact SG-OG1 3.35Å; L199-T226 HydrophobicContact CB-CG2 3.53Å; A200-T226 HydrophobicContact CB-CG2 4.48Å; I203-T226 HydrophobicContact CD1-CG2 3.39Å; S222-T226 WeakPolarHBondContact O-CG2 3.35Å; S222-T226 PolarHBondContact O-N 3.43Å; S222-T226 PolarHBondContact O-OG1 2.92Å; Q223-T226 PolarHBondContact O-OG1 3.3Å; T226-F228 PolarHBondContact O-N 3.45Å; T226-F229 PolarHBondContact O-N 3.36Å; T226-A230 VanDerWaalsContact O-CB 3.29Å; T226-A230 WeakPolarHBondContact O-CB 3.19Å; T226-A230 PolarHBondContact O-N 3.34Å
227G89.1Confident86.7Confident22 Ų2264.2 Ų64.223%0.22734%0.339CS..Hα-helixtrans-61.5-41.117400000112.8Q223 V225 S231Q223-G227 PolarHBondContact O-N 3.15Å; V225-G227 VanDerWaalsContact C-N 3.31Å; V225-G227 PolarHBondContact O-N 3.43Å; G227-S231 WeakPolarHBondContact O-CB 3.5Å; G227-S231 PolarHBondContact O-N 2.84Å; G227-S231 PolarHBondContact O-OG 2.95Å
228F90Very high87.7Confident137 Ų13759.4 Ų59.460%0.60132%0.318SS*.Hα-helixtrans-64-47.8175.7179-97.4000111.9A224 V225 T226 S231 M232A224-F228 PolarHBondContact O-N 2.93Å; V225-F228 WeakPolarHBondContact O-CB 3.25Å; V225-F228 PolarHBondContact O-N 3.23Å; V225-F228 VanDerWaalsContact O-N 3.17Å; T226-F228 PolarHBondContact O-N 3.45Å; F228-S231 PolarHBondContact O-N 2.94Å; F228-M232 PolarHBondContact O-N 3.2Å
229F90Very high88.8Confident99 Ų9956.3 Ų56.343%0.43430%0.303SS..Hα-helixtrans-61.8-44.3177.1-81.6-71.9000112.3L199 V225 T226 S231 M232 L233L199-F229 HydrophobicContact CD1-CB 4.23Å; V225-F229 HydrophobicContact CG1-CD2 3.67Å; V225-F229 HydrophobicContact CG1-CE2 3.53Å; V225-F229 VanDerWaalsContact O-CD2 3.22Å; V225-F229 WeakPolarHBondContact O-CD2 3.33Å; V225-F229 PolarHBondContact O-N 3.19Å; T226-F229 PolarHBondContact O-N 3.36Å; F229-S231 VanDerWaalsContact C-N 3.31Å; F229-S231 PolarHBondContact O-N 2.96Å; F229-M232 HydrophobicContact CD1-CE 4.23Å; F229-M232 HydrophobicContact CE1-CE 4.47Å; F229-M232 PolarHBondContact O-N 3.46Å; F229-L233 WeakPolarHBondContact O-CG 3.35Å; F229-L233 PolarHBondContact O-N 2.7Å; F229-L233 VanDerWaalsContact O-N 3.07Å
230A91.4Very high89.9Confident0 Ų050 Ų500%028%0.279CS..Hα-helixtrans-59.8-42.417600000111.7S192 I195 C196 T226 L233 T234S192-A230 WeakPolarHBondContact O-CB 3.29Å; I195-A230 HydrophobicContact CB-CB 4.17Å; I195-A230 HydrophobicContact CG2-CB 3.87Å; C196-A230 HydrophobicContact CB-CB 4.06Å; T226-A230 VanDerWaalsContact O-CB 3.29Å; T226-A230 WeakPolarHBondContact O-CB 3.19Å; T226-A230 PolarHBondContact O-N 3.34Å; A230-L233 PolarHBondContact O-N 3.33Å; A230-T234 WeakPolarHBondContact O-CB 3.43Å; A230-T234 WeakPolarHBondContact O-CG2 3.22Å; A230-T234 PolarHBondContact O-N 2.89Å; A230-T234 PolarHBondContact O-OG1 3.43Å
231S90.6Very high90.7Very high64 Ų6444.9 Ų44.945%0.44825%0.252SS..Hα-helixtrans-66-37.5177.2-58.70000112.4G227 F228 F229 Y235G227-S231 WeakPolarHBondContact O-CB 3.5Å; G227-S231 PolarHBondContact O-N 2.84Å; G227-S231 PolarHBondContact O-OG 2.95Å; F228-S231 PolarHBondContact O-N 2.94Å; F229-S231 VanDerWaalsContact C-N 3.31Å; F229-S231 PolarHBondContact O-N 2.96Å; S231-Y235 WeakPolarHBondContact O-CB 3.39Å; S231-Y235 PolarHBondContact O-N 2.83Å
232M90.7Very high91.4Very high91 Ų9141.5 Ų41.545%0.44823%0.228SC..Hα-helixtrans-66-41.5178.1-171.317375.700111.6F228 F229 Y235F228-M232 PolarHBondContact O-N 3.2Å; F229-M232 HydrophobicContact CD1-CE 4.23Å; F229-M232 HydrophobicContact CE1-CE 4.47Å; F229-M232 PolarHBondContact O-N 3.46Å; M232-Y235 WeakPolarHBondContact O-CB 3.3Å
233L92.2Very high92.1Very high103 Ų10341.9 Ų41.954%0.53923%0.23SC..Hα-helixtrans-70.7-36.7178.6-70.5172000112.5I195 F229 A230 P236I195-L233 HydrophobicContact CD1-CB 4.36Å; I195-L233 HydrophobicContact CD1-CD1 4.18Å; I195-L233 HydrophobicContact CG2-CD1 4.22Å; F229-L233 WeakPolarHBondContact O-CG 3.35Å; F229-L233 PolarHBondContact O-N 2.7Å; F229-L233 VanDerWaalsContact O-N 3.07Å; A230-L233 PolarHBondContact O-N 3.33Å; L233-P236 WeakPolarHBondContact O-CD 3.3Å
234T94.4Very high92.7Very high7 Ų738.4 Ų38.44%0.04321%0.213CC..Hα-helixtrans-88.7-5.7-178.858.50000114L191 I195 A230 P236 F237 V238L191-T234 HydrophobicContact CB-CG2 3.73Å; I195-T234 HydrophobicContact CD1-CG2 4.47Å; A230-T234 WeakPolarHBondContact O-CB 3.43Å; A230-T234 WeakPolarHBondContact O-CG2 3.22Å; A230-T234 PolarHBondContact O-N 2.89Å; A230-T234 PolarHBondContact O-OG1 3.43Å; T234-P236 VanDerWaalsContact C-CD 3.45Å; T234-F237 WeakPolarHBondContact O-CB 3.4Å; T234-F237 PolarHBondContact O-N 3.06Å; T234-V238 PolarHBondContact O-N 3.32Å
235Y94.6Very high93.2Very high13 Ų1335.1 Ų35.15%0.05119%0.187CC..Hα-helixtrans-49.2-46.6-179.9-179.5-90.9000114.4Q29 S231 M232 F237 V238 L239 L278 R280 G281 N282Q29-Y235 PolarHBondContact NE2-OH 2.8Å; Q29-Y235 VanDerWaalsContact NE2-OH 3.11Å; S231-Y235 WeakPolarHBondContact O-CB 3.39Å; S231-Y235 PolarHBondContact O-N 2.83Å; M232-Y235 WeakPolarHBondContact O-CB 3.3Å; Y235-F237 PolarHBondContact O-N 2.85Å; Y235-V238 PolarHBondContact O-N 2.65Å; Y235-V238 VanDerWaalsContact O-N 3.11Å; Y235-L239 HydrophobicContact CE1-CB 4.16Å; Y235-L239 HydrophobicContact CE1-CD2 4.3Å; Y235-L239 PolarHBondContact O-N 2.92Å; Y235-L278 WeakPolarHBondContact CD1-O 3.47Å; Y235-L278 WeakPolarHBondContact CE1-O 3.44Å; Y235-R280 PolarHBondContact OH-O 3.1Å; Y235-G281 WeakPolarHBondContact OH-CA 3.38Å; Y235-G281 PolarHBondContact OH-O 3.35Å; Y235-N282 HydrophobicContact CD1-CB 4.15Å; Y235-N282 HydrophobicContact CD2-CB 4.37Å; Y235-N282 WeakPolarHBondContact CD2-OD1 3.29Å; Y235-N282 HydrophobicContact CE1-CB 3.82Å; Y235-N282 HydrophobicContact CE2-CB 4.04Å; Y235-N282 HydrophobicContact CG-CB 4.43Å; Y235-N282 PolarHBondContact OH-N 3.43Å
236P95.8Very high93.5Very high25 Ų2532.4 Ų32.416%0.16217%0.17CC..Hα-helixtrans-60.7-33.2-178.5-26.638.4000113.3L233 T234 L239 V240 W269 L278L233-P236 WeakPolarHBondContact O-CD 3.3Å; T234-P236 VanDerWaalsContact C-CD 3.45Å; P236-L239 PolarHBondContact O-N 3.3Å; P236-V240 WeakPolarHBondContact O-CG2 3.46Å; P236-V240 PolarHBondContact O-N 3.47Å; P236-W269 HydrophobicContact CB-CE3 4.48Å; P236-W269 HydrophobicContact CB-CH2 3.46Å; P236-W269 VanDerWaalsContact CB-CH2 3.46Å; P236-W269 HydrophobicContact CB-CZ2 4.27Å; P236-W269 HydrophobicContact CB-CZ3 3.58Å; P236-W269 HydrophobicContact CG-CH2 4.35Å; P236-L278 HydrophobicContact CB-CB 4.22Å; P236-L278 HydrophobicContact CB-CD2 4.23Å; P236-L278 HydrophobicContact CG-CB 4.37Å
237F96.4Very high93.8Very high39 Ų3933.6 Ų33.617%0.17118%0.176CC..Hα-helixtrans-68.5-41.3176.4-69-82000111.5L187 A188 L191 T234 Y235 L239 V240 S241 W269L187-F237 HydrophobicContact CB-CD1 4.03Å; L187-F237 HydrophobicContact CB-CE1 4.28Å; L187-F237 HydrophobicContact CD1-CD1 4.27Å; L187-F237 HydrophobicContact CD1-CE1 4.04Å; A188-F237 HydrophobicContact CB-CB 3.67Å; L191-F237 HydrophobicContact CD1-CD2 4.26Å; L191-F237 HydrophobicContact CD1-CE2 3.76Å; L191-F237 HydrophobicContact CD1-CZ 4.01Å; T234-F237 WeakPolarHBondContact O-CB 3.4Å; T234-F237 PolarHBondContact O-N 3.06Å; Y235-F237 PolarHBondContact O-N 2.85Å; F237-L239 VanDerWaalsContact C-N 3.34Å; F237-L239 PolarHBondContact O-N 3.39Å; F237-V240 PolarHBondContact O-N 3.43Å; F237-S241 WeakPolarHBondContact O-CB 3.21Å; F237-S241 PolarHBondContact O-N 3.4Å; F237-W269 HydrophobicContact CD1-CE3 4.45Å; F237-W269 HydrophobicContact CD1-CH2 4.42Å; F237-W269 AromaticContact CD1-CZ3 3.73Å; F237-W269 HydrophobicContact CD1-CZ3 3.73Å; F237-W269 HydrophobicContact CD2-CH2 4.09Å; F237-W269 HydrophobicContact CD2-CZ3 4.01Å; F237-W269 HydrophobicContact CE1-CE3 4.49Å; F237-W269 HydrophobicContact CE1-CH2 4.16Å; F237-W269 AromaticContact CE1-CZ3 3.8Å; F237-W269 HydrophobicContact CE1-CZ3 3.8Å; F237-W269 AromaticContact CE2-CH2 3.82Å; F237-W269 HydrophobicContact CE2-CH2 3.82Å; F237-W269 HydrophobicContact CE2-CZ3 4.07Å; F237-W269 HydrophobicContact CG-CH2 4.38Å; F237-W269 AromaticContact CG-CZ3 3.83Å; F237-W269 HydrophobicContact CG-CZ3 3.83Å; F237-W269 AromaticContact CZ-CH2 3.86Å; F237-W269 HydrophobicContact CZ-CH2 3.86Å; F237-W269 AromaticContact CZ-CZ3 3.97Å; F237-W269 HydrophobicContact CZ-CZ3 3.97Å
238V95.6Very high93.8Very high33 Ų3337 Ų3720%0.219%0.189CC..Hα-helixtrans-62.6-42.7174.2179.20000110.8A188 T234 Y235 S241 H242A188-V238 HydrophobicContact CB-CG2 3.73Å; T234-V238 PolarHBondContact O-N 3.32Å; Y235-V238 PolarHBondContact O-N 2.65Å; Y235-V238 VanDerWaalsContact O-N 3.11Å; V238-S241 WeakPolarHBondContact O-CB 3.44Å; V238-S241 PolarHBondContact O-N 3.41Å; V238-H242 PolarHBondContact O-N 2.96Å
239L95.7Very high93.6Very high0 Ų030.5 Ų30.50%016%0.161CC..Hα-helixtrans-59.1-51.3175.8173.361.7000111.6Q29 Y235 P236 F237 S241 H242 L243 L272 N277 L278 R280Q29-L239 HydrophobicContact CB-CD1 3.64Å; Q29-L239 HydrophobicContact CG-CD1 3.74Å; Y235-L239 HydrophobicContact CE1-CB 4.16Å; Y235-L239 HydrophobicContact CE1-CD2 4.3Å; Y235-L239 PolarHBondContact O-N 2.92Å; P236-L239 PolarHBondContact O-N 3.3Å; F237-L239 VanDerWaalsContact C-N 3.34Å; F237-L239 PolarHBondContact O-N 3.39Å; L239-S241 VanDerWaalsContact C-N 3.29Å; L239-S241 PolarHBondContact O-N 3.03Å; L239-H242 PolarHBondContact O-N 3.43Å; L239-L243 HydrophobicContact CD1-CD1 4.2Å; L239-L243 HydrophobicContact CD1-CG 4.26Å; L239-L243 HydrophobicContact CG-CD1 4.27Å; L239-L243 WeakPolarHBondContact O-CG 3.36Å; L239-L243 PolarHBondContact O-N 3.45Å; L239-L272 HydrophobicContact CD2-CD1 4.08Å; L239-L272 HydrophobicContact CG-CD1 4.28Å; L239-N277 WeakPolarHBondContact CD2-O 3.39Å; L239-L278 WeakPolarHBondContact CD2-O 3.41Å; L239-R280 HydrophobicContact CD2-CB 4.13Å
240V96.5Very high93.3Very high0 Ų027 Ų270%015%0.153CC..Hα-helixtrans-62.7-38.3179.2171.20000111.2P184 P236 F237 H242 L243 M244 W265 C268 W269 L272P184-V240 HydrophobicContact CB-CB 4.47Å; P184-V240 HydrophobicContact CB-CG1 4.23Å; P184-V240 HydrophobicContact CG-CG1 4.22Å; P236-V240 WeakPolarHBondContact O-CG2 3.46Å; P236-V240 PolarHBondContact O-N 3.47Å; F237-V240 PolarHBondContact O-N 3.43Å; V240-H242 PolarHBondContact O-N 3.27Å; V240-L243 PolarHBondContact O-N 2.86Å; V240-M244 HydrophobicContact CG1-CG 4.16Å; V240-M244 WeakPolarHBondContact O-CB 3.28Å; V240-M244 VanDerWaalsContact O-CG 3.24Å; V240-M244 WeakPolarHBondContact O-CG 3.39Å; V240-M244 PolarHBondContact O-N 3.05Å; V240-W265 HydrophobicContact CG1-CB 3.91Å; V240-W265 HydrophobicContact CG1-CE3 4.47Å; V240-C268 HydrophobicContact CG1-CB 4.22Å; V240-W269 HydrophobicContact CG2-CB 4.27Å; V240-W269 HydrophobicContact CG2-CE3 3.83Å; V240-L272 HydrophobicContact CG2-CD1 3.93Å
241S96.8Very high93.2Very high0 Ų027 Ų270%015%0.153CC..Hα-helixtrans-57.9-49.3173.9177.50000112.2G181 R185 F237 V238 L239 L243 M244 A245G181-S241 WeakPolarHBondContact O-CB 3.36Å; G181-S241 PolarHBondContact O-OG 2.92Å; R185-S241 WeakPolarHBondContact CB-OG 3.18Å; F237-S241 WeakPolarHBondContact O-CB 3.21Å; F237-S241 PolarHBondContact O-N 3.4Å; V238-S241 WeakPolarHBondContact O-CB 3.44Å; V238-S241 PolarHBondContact O-N 3.41Å; L239-S241 VanDerWaalsContact C-N 3.29Å; L239-S241 PolarHBondContact O-N 3.03Å; S241-L243 PolarHBondContact O-N 3Å; S241-M244 PolarHBondContact O-N 3.43Å; S241-A245 WeakPolarHBondContact O-CB 3.39Å; S241-A245 PolarHBondContact O-N 3.09Å
242H96Very high92.9Very high6 Ų624.9 Ų24.93%0.02814%0.139CC..Hα-helixtrans-63.7-41.2179.8-66.8175.3000112.3Q29 H140 L144 V238 L239 V240 A245 V246Q29-H242 PolarHBondContact OE1-ND1 3.21Å; H140-H242 AromaticContact CE1-CD2 3.87Å; H140-H242 AromaticContact CE1-NE2 3.57Å; H140-H242 AromaticContact NE2-CD2 3.42Å; H140-H242 PolarHBondContact NE2-CD2 2.88Å; H140-H242 AromaticContact NE2-NE2 3.48Å; H140-H242 PolarHBondContact NE2-NE2 3.42Å; L144-H242 HydrophobicContact CD1-CB 4.13Å; L144-H242 HydrophobicContact CD2-CB 4.48Å; V238-H242 PolarHBondContact O-N 2.96Å; L239-H242 PolarHBondContact O-N 3.43Å; V240-H242 PolarHBondContact O-N 3.27Å; H242-A245 PolarHBondContact O-N 3.11Å; H242-V246 PolarHBondContact O-N 3.48Å
243L94.8Very high92.5Very high17 Ų1720.7 Ų20.79%0.08912%0.119CC..Hα-helixtrans-63.1-44.5176.6-70.5177.8000111.7Q29 V30 L239 V240 S241 A245 V246 N247 L272Q29-L243 WeakPolarHBondContact O-CD2 3.32Å; V30-L243 HydrophobicContact CB-CD2 4.38Å; V30-L243 HydrophobicContact CG1-CD2 4.21Å; L239-L243 HydrophobicContact CD1-CD1 4.2Å; L239-L243 HydrophobicContact CD1-CG 4.26Å; L239-L243 HydrophobicContact CG-CD1 4.27Å; L239-L243 WeakPolarHBondContact O-CG 3.36Å; L239-L243 PolarHBondContact O-N 3.45Å; V240-L243 PolarHBondContact O-N 2.86Å; S241-L243 PolarHBondContact O-N 3Å; L243-A245 VanDerWaalsContact C-N 3.32Å; L243-A245 PolarHBondContact O-N 2.77Å; L243-V246 WeakPolarHBondContact O-CG2 3.19Å; L243-V246 PolarHBondContact O-N 2.81Å; L243-N247 WeakPolarHBondContact O-CB 3.43Å; L243-N247 PolarHBondContact O-N 3.45Å; L243-L272 HydrophobicContact CD1-CD1 3.54Å; L243-L272 HydrophobicContact CD1-CD2 4.29Å; L243-L272 HydrophobicContact CD1-CG 4.32Å
244M95.8Very high92.2Very high19 Ų1915.8 Ų15.89%0.0949%0.094CC..Hα-helixtrans-65.7-34.1177.5-69.7-55.2-54.800112.3A180 V240 S241 V246 N247 W265 C268A180-M244 WeakPolarHBondContact CB-O 3.3Å; V240-M244 HydrophobicContact CG1-CG 4.16Å; V240-M244 WeakPolarHBondContact O-CB 3.28Å; V240-M244 VanDerWaalsContact O-CG 3.24Å; V240-M244 WeakPolarHBondContact O-CG 3.39Å; V240-M244 PolarHBondContact O-N 3.05Å; S241-M244 PolarHBondContact O-N 3.43Å; M244-V246 PolarHBondContact O-N 3.29Å; M244-N247 HydrophobicContact CE-CB 4.5Å; M244-N247 WeakPolarHBondContact O-CB 3.43Å; M244-N247 PolarHBondContact O-N 3.44Å; M244-W265 HydrophobicContact CG-CB 3.86Å; M244-W265 HydrophobicContact SD-CB 4.38Å; M244-C268 HydrophobicContact SD-CB 3.87Å
245A95.1Very high91.8Very high0 Ų018.3 Ų18.30%011%0.105CC..Hα-helixtrans-64.8-25.917800000113.8V141 L144 R145 S241 H242 L243V141-A245 HydrophobicContact CG2-CB 4.14Å; L144-A245 HydrophobicContact CD1-CB 3.51Å; R145-A245 PolarHBondContact NE-O 3.41Å; R145-A245 PolarHBondContact NH2-O 3.32Å; S241-A245 WeakPolarHBondContact O-CB 3.39Å; S241-A245 PolarHBondContact O-N 3.09Å; H242-A245 PolarHBondContact O-N 3.11Å; L243-A245 VanDerWaalsContact C-N 3.32Å; L243-A245 PolarHBondContact O-N 2.77Å
246V93.8Very high91.3Very high5 Ų522 Ų223%0.0313%0.131CC..Hα-helixtrans-108.21.1178.8-54.10000112.7V30 L144 R145 V148 H242 L243 M244 N248 C249 G254V30-V246 HydrophobicContact CG1-CG2 3.79Å; L144-V246 HydrophobicContact CB-CG1 3.85Å; R145-V246 HydrophobicContact CG-CG1 4.36Å; V148-V246 HydrophobicContact CB-CG1 4.39Å; V148-V246 HydrophobicContact CG2-CB 4.34Å; V148-V246 HydrophobicContact CG2-CG1 3.85Å; V148-V246 HydrophobicContact CG2-CG2 4.49Å; H242-V246 PolarHBondContact O-N 3.48Å; L243-V246 WeakPolarHBondContact O-CG2 3.19Å; L243-V246 PolarHBondContact O-N 2.81Å; M244-V246 PolarHBondContact O-N 3.29Å; V246-N248 PolarHBondContact O-N 2.75Å; V246-C249 PolarHBondContact O-SG 3.02Å; V246-G254 WeakPolarHBondContact O-CA 3.38Å
247N93.6Very high90.5Very high26 Ų2625 Ų2514%0.13915%0.15CC..THydrogen-bonded Turntrans-69.6126.2-178.2179.573.1000110.7L243 M244 C249 V261 Y262L243-N247 WeakPolarHBondContact O-CB 3.43Å; L243-N247 PolarHBondContact O-N 3.45Å; M244-N247 HydrophobicContact CE-CB 4.5Å; M244-N247 WeakPolarHBondContact O-CB 3.43Å; M244-N247 PolarHBondContact O-N 3.44Å; N247-C249 PolarHBondContact O-N 2.86Å; N247-C249 VanDerWaalsContact O-N 3.15Å; N247-V261 WeakPolarHBondContact OD1-CA 3.33Å; N247-Y262 PolarHBondContact ND2-O 2.73Å; N247-Y262 PolarHBondContact OD1-N 2.91Å
248N90.3Very high89.5Confident93 Ų9329.1 Ų29.150%0.49717%0.166SC..THydrogen-bonded Turntrans53.332.3176.5-159.543.6000114.8V246 G250 G254 V261V246-N248 PolarHBondContact O-N 2.75Å; N248-G250 VanDerWaalsContact C-N 3.28Å; N248-G250 PolarHBondContact O-N 3.41Å; N248-G254 PolarHBondContact N-O 3.26Å; N248-V261 HydrophobicContact CB-CG1 3.94Å; N248-V261 HydrophobicContact CB-CG2 4.34Å
249C86.2Confident88.9Confident1 Ų128.6 Ų28.61%0.00717%0.165CC..SBendtrans-89.216.2-176.766.50000114.6K156 Y157 E173 V246 N247 L251K156-C249 PolarHBondContact NZ-O 3.32Å; Y157-C249 PolarHBondContact OH-O 2.84Å; E173-C249 WeakPolarHBondContact OE1-CA 3.43Å; E173-C249 VanDerWaalsContact OE1-CB 3.3Å; E173-C249 WeakPolarHBondContact OE1-CB 3.25Å; V246-C249 PolarHBondContact O-SG 3.02Å; N247-C249 PolarHBondContact O-N 2.86Å; N247-C249 VanDerWaalsContact O-N 3.15Å; C249-L251 PolarHBondContact O-N 2.94Å
250G83.9Confident88.5Confident26 Ų2631 Ų3127%0.26818%0.182SC..SBendtrans71.14.9-176.900000115N248 M255N248-G250 VanDerWaalsContact C-N 3.28Å; N248-G250 PolarHBondContact O-N 3.41Å; G250-M255 WeakPolarHBondContact O-CE 3.12Å
251L87.6Confident88.2Confident0 Ų034.1 Ų34.10%020%0.2CC..SBendtrans-88.9146.2169.5-66.6176.1000110.7R145 V148 Q149 E154 K156 Y157 C249 G253 G254 M255R145-L251 HydrophobicContact CB-CD1 3.96Å; R145-L251 HydrophobicContact CG-CD1 4.33Å; R145-L251 WeakPolarHBondContact O-CD1 3.49Å; V148-L251 HydrophobicContact CB-CD1 4.25Å; V148-L251 HydrophobicContact CG1-CB 4.44Å; V148-L251 HydrophobicContact CG1-CD1 4.1Å; Q149-L251 HydrophobicContact CB-CD1 4.41Å; Q149-L251 HydrophobicContact CB-CD2 3.97Å; E154-L251 HydrophobicContact CB-CD2 4.27Å; E154-L251 WeakPolarHBondContact OE2-CA 3.35Å; K156-L251 HydrophobicContact CB-CD2 4.26Å; K156-L251 HydrophobicContact CD-CD2 4.21Å; Y157-L251 HydrophobicContact CD2-CD1 3.91Å; Y157-L251 HydrophobicContact CD2-CD2 3.87Å; Y157-L251 HydrophobicContact CD2-CG 4.18Å; Y157-L251 HydrophobicContact CE2-CD1 3.79Å; Y157-L251 HydrophobicContact CE2-CD2 3.71Å; Y157-L251 HydrophobicContact CE2-CG 3.73Å; C249-L251 PolarHBondContact O-N 2.94Å; L251-G253 PolarHBondContact O-N 3.45Å; L251-G254 PolarHBondContact O-N 2.92Å; L251-M255 PolarHBondContact O-N 2.95Å
252A85.4Confident88Confident19 Ų1935.4 Ų35.416%0.15721%0.206CC..G310 helixtrans-53.2-42.3176.500000111.5E154 G254 M255 Y258E154-A252 PolarHBondContact OE2-N 3.29Å; A252-G254 PolarHBondContact O-N 3.37Å; A252-M255 PolarHBondContact O-N 3.38Å; A252-Y258 HydrophobicContact CB-CD2 4.07Å; A252-Y258 HydrophobicContact CB-CE2 4.14Å; A252-Y258 WeakPolarHBondContact O-CB 3.24Å; A252-Y258 VanDerWaalsContact O-CD2 3.32Å; A252-Y258 WeakPolarHBondContact O-CD2 3.43Å
253G82.7Confident87.7Confident2 Ų240.5 Ų40.52%0.02124%0.239CC..G310 helixtrans-69.5-8.4178.600000116.1L251 A259L251-G253 PolarHBondContact O-N 3.45Å; G253-A259 WeakPolarHBondContact O-CB 3.39Å
254G84.8Confident87.7Confident1 Ų142.7 Ų42.71%0.0125%0.253CS..G310 helixtrans-112.11.2179.700000114.4V246 N248 L251 A252V246-G254 WeakPolarHBondContact O-CA 3.38Å; N248-G254 PolarHBondContact N-O 3.26Å; L251-G254 PolarHBondContact O-N 2.92Å; A252-G254 PolarHBondContact O-N 3.37Å
255M87.2Confident87.7Confident59 Ų5945.5 Ų45.529%0.29126%0.263SS..SBendtrans-130.4160.2-173.8-66.5-171.6-61.200111.8G250 L251 A252 Y258 A259G250-M255 WeakPolarHBondContact O-CE 3.12Å; L251-M255 PolarHBondContact O-N 2.95Å; A252-M255 PolarHBondContact O-N 3.38Å; M255-Y258 PolarHBondContact O-N 2.92Å; M255-A259 CarbonylContact C-O 3.2Å; M255-A259 PolarHBondContact O-N 3.48Å
256P84.1Confident87.8Confident90 Ų9047.8 Ų47.858%0.58428%0.277SS*.THydrogen-bonded Turntrans-62.6144.7170.2-20.134.5000110.4A259 V261P256-A259 WeakPolarHBondContact CA-O 3.24Å; P256-A259 VanDerWaalsContact N-O 3.11Å; P256-V261 HydrophobicContact CG-CG2 4.25Å
257P77.8Confident87.8Confident88 Ų8850.4 Ų50.457%0.57129%0.291SS*.THydrogen-bonded Turncis-83-8.84.433.3-35.9000114.3R301P257-R301 PolarHBondContact O-NE 3.45Å; P257-R301 PolarHBondContact O-NH1 3.24Å; P257-R301 PolarHBondContact O-NH2 3.08Å
258Y75.3Confident87.9Confident127 Ų12749.1 Ų49.150%0.49828%0.284SS..THydrogen-bonded Turntrans-73.4-39.7-172-61.2-79.2000113.6I151 A252 M255 R301I151-Y258 HydrophobicContact CG2-CD1 4.29Å; I151-Y258 HydrophobicContact CG2-CG 4.44Å; A252-Y258 HydrophobicContact CB-CD2 4.07Å; A252-Y258 HydrophobicContact CB-CE2 4.14Å; A252-Y258 WeakPolarHBondContact O-CB 3.24Å; A252-Y258 VanDerWaalsContact O-CD2 3.32Å; A252-Y258 WeakPolarHBondContact O-CD2 3.43Å; M255-Y258 PolarHBondContact O-N 2.92Å; Y258-R301 PolarHBondContact O-NH2 3.44Å
259A83.9Confident88.1Confident22 Ų2247.8 Ų47.818%0.18227%0.272CS..SBendtrans-130.2148.2179.900000112.4G253 M255 P256G253-A259 WeakPolarHBondContact O-CB 3.39Å; M255-A259 CarbonylContact C-O 3.2Å; M255-A259 PolarHBondContact O-N 3.48Å; P256-A259 WeakPolarHBondContact CA-O 3.24Å; P256-A259 VanDerWaalsContact N-O 3.11Å
260S86.6Confident88.6Confident50 Ų5052.8 Ų52.835%0.3529%0.293SS..  trans-78.2141.7170.9-520000110.2Y262S260-Y262 WeakPolarHBondContact O-CD2 3.32Å; S260-Y262 VanDerWaalsContact O-CE2 3.3Å; S260-Y262 WeakPolarHBondContact O-CE2 3.3Å
261V90.9Very high89Confident65 Ų6554.4 Ų54.439%0.39429%0.294SS..  trans-91.6129.2176.3178.20000110N247 N248 P256N247-V261 WeakPolarHBondContact OD1-CA 3.33Å; N248-V261 HydrophobicContact CB-CG1 3.94Å; N248-V261 HydrophobicContact CB-CG2 4.34Å; P256-V261 HydrophobicContact CG-CG2 4.25Å
262Y92Very high89.1Confident28 Ų2854.4 Ų54.411%0.1129%0.294CS..  trans-112.5129.7179-53.9-74.4000110.8N247 S260 C268 H271N247-Y262 PolarHBondContact ND2-O 2.73Å; N247-Y262 PolarHBondContact OD1-N 2.91Å; S260-Y262 WeakPolarHBondContact O-CD2 3.32Å; S260-Y262 VanDerWaalsContact O-CE2 3.3Å; S260-Y262 WeakPolarHBondContact O-CE2 3.3Å; Y262-C268 VanDerWaalsContact CD1-CA 3.47Å; Y262-C268 HydrophobicContact CD1-CB 3.98Å; Y262-C268 HydrophobicContact CD2-CB 3.69Å; Y262-C268 HydrophobicContact CE1-CB 4.41Å; Y262-C268 HydrophobicContact CE2-CB 4.15Å; Y262-C268 HydrophobicContact CG-CB 3.58Å; Y262-H271 HydrophobicContact CE1-CB 3.7Å; Y262-H271 AromaticContact CE1-CG 3.84Å; Y262-H271 AromaticContact CE1-ND1 3.88Å; Y262-H271 AromaticContact CZ-ND1 3.85Å; Y262-H271 PolarHBondContact OH-ND1 3.41Å
263P90.8Very high89.5Confident113 Ų11356.5 Ų56.573%0.73431%0.308SS*.SBendtrans-67.6-39.7172.9-20.532.8000112.1
264T94.4Very high89.8Confident62 Ų6266.5 Ų66.538%0.3835%0.345SS..SBendtrans-130.6157.3-179.675.80000111.9V266 D267 C268T264-V266 PolarHBondContact O-N 3.49Å; T264-V266 PolarHBondContact OG1-N 3.22Å; T264-D267 PolarHBondContact N-OD2 2.87Å; T264-D267 PolarHBondContact O-N 3.44Å; T264-D267 PolarHBondContact OG1-N 3.1Å; T264-D267 PolarHBondContact OG1-OD2 2.92Å; T264-C268 PolarHBondContact O-N 3.06Å
265W95.4Very high89.8Confident78 Ų7869.9 Ų69.930%0.29536%0.36SS..Hα-helixtrans-63.2-26.8174.571-94.9000112.4V183 P184 L187 V240 M244 C268 W269V183-W265 HydrophobicContact CG1-CZ2 4.33Å; P184-W265 HydrophobicContact CG-CB 4.16Å; P184-W265 HydrophobicContact CG-CG 4.44Å; L187-W265 HydrophobicContact CD1-CH2 4.15Å; L187-W265 HydrophobicContact CD1-CZ2 4.31Å; V240-W265 HydrophobicContact CG1-CB 3.91Å; V240-W265 HydrophobicContact CG1-CE3 4.47Å; M244-W265 HydrophobicContact CG-CB 3.86Å; M244-W265 HydrophobicContact SD-CB 4.38Å; W265-C268 WeakPolarHBondContact O-CB 3.5Å; W265-C268 PolarHBondContact O-N 3.26Å; W265-W269 WeakPolarHBondContact O-CB 3.36Å; W265-W269 PolarHBondContact O-N 3.32Å
266V96.3Very high89.7Confident49 Ų4970.2 Ų70.230%0.29738%0.378SS..Hα-helixtrans-69.5-38.4176.9-179.40000110.5T264 W269 K270T264-V266 PolarHBondContact O-N 3.49Å; T264-V266 PolarHBondContact OG1-N 3.22Å; V266-W269 PolarHBondContact O-N 2.99Å; V266-K270 HydrophobicContact CG1-CD 4.18Å; V266-K270 HydrophobicContact CG1-CG 4.44Å; V266-K270 WeakPolarHBondContact O-CB 3.38Å; V266-K270 WeakPolarHBondContact O-CG 3.31Å; V266-K270 PolarHBondContact O-N 3.41Å
267D95.3Very high89.8Confident59 Ų5966.8 Ų66.832%0.31636%0.355SS..Hα-helixtrans-67.5-41.6175.9-59.1-44.5000111T264 W269 K270 H271T264-D267 PolarHBondContact N-OD2 2.87Å; T264-D267 PolarHBondContact O-N 3.44Å; T264-D267 PolarHBondContact OG1-N 3.1Å; T264-D267 PolarHBondContact OG1-OD2 2.92Å; D267-W269 VanDerWaalsContact C-N 3.33Å; D267-W269 PolarHBondContact O-N 2.95Å; D267-K270 PolarHBondContact O-N 3.1Å; D267-H271 VanDerWaalsContact O-CB 3.32Å; D267-H271 WeakPolarHBondContact O-CB 3.24Å; D267-H271 PolarHBondContact O-N 3.05Å
268C94.8Very high90.3Very high0 Ų064.3 Ų64.30%034%0.337CS..Hα-helixtrans-56.2-48171.5-174.30000111.3V240 M244 Y262 T264 W265 H271 L272V240-C268 HydrophobicContact CG1-CB 4.22Å; M244-C268 HydrophobicContact SD-CB 3.87Å; Y262-C268 VanDerWaalsContact CD1-CA 3.47Å; Y262-C268 HydrophobicContact CD1-CB 3.98Å; Y262-C268 HydrophobicContact CD2-CB 3.69Å; Y262-C268 HydrophobicContact CE1-CB 4.41Å; Y262-C268 HydrophobicContact CE2-CB 4.15Å; Y262-C268 HydrophobicContact CG-CB 3.58Å; T264-C268 PolarHBondContact O-N 3.06Å; W265-C268 WeakPolarHBondContact O-CB 3.5Å; W265-C268 PolarHBondContact O-N 3.26Å; C268-H271 PolarHBondContact O-N 3.29Å; C268-L272 WeakPolarHBondContact O-CB 3.42Å; C268-L272 WeakPolarHBondContact O-CG 3.42Å; C268-L272 PolarHBondContact O-N 3.41Å
269W95.8Very high90.8Very high65 Ų6560.3 Ų60.325%0.24634%0.335CS..Hα-helixtrans-60.8-50.6177-177-73.4000112.4P236 F237 V240 W265 V266 D267 H271 L272 S273 L278P236-W269 HydrophobicContact CB-CE3 4.48Å; P236-W269 HydrophobicContact CB-CH2 3.46Å; P236-W269 VanDerWaalsContact CB-CH2 3.46Å; P236-W269 HydrophobicContact CB-CZ2 4.27Å; P236-W269 HydrophobicContact CB-CZ3 3.58Å; P236-W269 HydrophobicContact CG-CH2 4.35Å; F237-W269 HydrophobicContact CD1-CE3 4.45Å; F237-W269 HydrophobicContact CD1-CH2 4.42Å; F237-W269 AromaticContact CD1-CZ3 3.73Å; F237-W269 HydrophobicContact CD1-CZ3 3.73Å; F237-W269 HydrophobicContact CD2-CH2 4.09Å; F237-W269 HydrophobicContact CD2-CZ3 4.01Å; F237-W269 HydrophobicContact CE1-CE3 4.49Å; F237-W269 HydrophobicContact CE1-CH2 4.16Å; F237-W269 AromaticContact CE1-CZ3 3.8Å; F237-W269 HydrophobicContact CE1-CZ3 3.8Å; F237-W269 AromaticContact CE2-CH2 3.82Å; F237-W269 HydrophobicContact CE2-CH2 3.82Å; F237-W269 HydrophobicContact CE2-CZ3 4.07Å; F237-W269 HydrophobicContact CG-CH2 4.38Å; F237-W269 AromaticContact CG-CZ3 3.83Å; F237-W269 HydrophobicContact CG-CZ3 3.83Å; F237-W269 AromaticContact CZ-CH2 3.86Å; F237-W269 HydrophobicContact CZ-CH2 3.86Å; F237-W269 AromaticContact CZ-CZ3 3.97Å; F237-W269 HydrophobicContact CZ-CZ3 3.97Å; V240-W269 HydrophobicContact CG2-CB 4.27Å; V240-W269 HydrophobicContact CG2-CE3 3.83Å; W265-W269 WeakPolarHBondContact O-CB 3.36Å; W265-W269 PolarHBondContact O-N 3.32Å; V266-W269 PolarHBondContact O-N 2.99Å; D267-W269 VanDerWaalsContact C-N 3.33Å; D267-W269 PolarHBondContact O-N 2.95Å; W269-H271 VanDerWaalsContact C-N 3.29Å; W269-H271 PolarHBondContact O-N 3.33Å; W269-L272 PolarHBondContact O-N 2.99Å; W269-S273 VanDerWaalsContact O-CB 3.22Å; W269-S273 WeakPolarHBondContact O-CB 3.49Å; W269-S273 PolarHBondContact O-N 3.49Å; W269-L278 HydrophobicContact CD2-CD2 4.11Å; W269-L278 HydrophobicContact CE3-CD2 4.42Å; W269-L278 HydrophobicContact CG-CD2 4.46Å; W269-L278 HydrophobicContact CZ2-CD1 4.28Å
270K95.4Very high91.1Very high105 Ų10561.6 Ų61.646%0.45734%0.335SS..Hα-helixtrans-58.8-42.8-179.9-76.8172.6-179.6170.60111.1V266 D267 S273 R274V266-K270 HydrophobicContact CG1-CD 4.18Å; V266-K270 HydrophobicContact CG1-CG 4.44Å; V266-K270 WeakPolarHBondContact O-CB 3.38Å; V266-K270 WeakPolarHBondContact O-CG 3.31Å; V266-K270 PolarHBondContact O-N 3.41Å; D267-K270 PolarHBondContact O-N 3.1Å; K270-S273 PolarHBondContact O-N 2.92Å; K270-R274 VanDerWaalsContact O-CG 3.29Å; K270-R274 WeakPolarHBondContact O-CG 3.39Å; K270-R274 PolarHBondContact O-N 3.4Å
271H91.8Very high91Very high61 Ų6159.5 Ų59.528%0.28232%0.321SS..Hα-helixtrans-62.9-52.2177.2-175.6-101.5000111.6Y262 D267 C268 W269 S273 R274 E275Y262-H271 HydrophobicContact CE1-CB 3.7Å; Y262-H271 AromaticContact CE1-CG 3.84Å; Y262-H271 AromaticContact CE1-ND1 3.88Å; Y262-H271 AromaticContact CZ-ND1 3.85Å; Y262-H271 PolarHBondContact OH-ND1 3.41Å; D267-H271 VanDerWaalsContact O-CB 3.32Å; D267-H271 WeakPolarHBondContact O-CB 3.24Å; D267-H271 PolarHBondContact O-N 3.05Å; C268-H271 PolarHBondContact O-N 3.29Å; W269-H271 VanDerWaalsContact C-N 3.29Å; W269-H271 PolarHBondContact O-N 3.33Å; H271-S273 VanDerWaalsContact C-N 3.28Å; H271-S273 PolarHBondContact O-N 2.88Å; H271-R274 PolarHBondContact O-N 2.88Å; H271-E275 VanDerWaalsContact CE1-CD 3.46Å; H271-E275 IonicContact CE1-OE1 3.58Å; H271-E275 PolarHBondContact CE1-OE1 2.88Å; H271-E275 IonicContact NE2-OE1 3.48Å; H271-E275 PolarHBondContact O-N 3.43Å
272L90.6Very high90.8Very high0 Ų060.5 Ų60.50%032%0.324CS..Hα-helixtrans-60.8-36.4177.2-73.5176.2000113.2L239 V240 L243 C268 W269 E275 G276 N277 L278 R280L239-L272 HydrophobicContact CD2-CD1 4.08Å; L239-L272 HydrophobicContact CG-CD1 4.28Å; V240-L272 HydrophobicContact CG2-CD1 3.93Å; L243-L272 HydrophobicContact CD1-CD1 3.54Å; L243-L272 HydrophobicContact CD1-CD2 4.29Å; L243-L272 HydrophobicContact CD1-CG 4.32Å; C268-L272 WeakPolarHBondContact O-CB 3.42Å; C268-L272 WeakPolarHBondContact O-CG 3.42Å; C268-L272 PolarHBondContact O-N 3.41Å; W269-L272 PolarHBondContact O-N 2.99Å; L272-E275 PolarHBondContact O-N 2.96Å; L272-G276 PolarHBondContact O-N 3.28Å; L272-G276 VanDerWaalsContact O-N 3.14Å; L272-N277 HydrophobicContact CD2-CB 3.83Å; L272-N277 PolarHBondContact O-N 3.2Å; L272-L278 HydrophobicContact CB-CD2 3.66Å; L272-L278 HydrophobicContact CB-CG 4.2Å; L272-L278 HydrophobicContact CD1-CD2 4.3Å; L272-R280 VanDerWaalsContact CD2-NH2 3.27Å
273S92.7Very high90.5Very high63 Ų6361.6 Ų61.644%0.44134%0.336SS..Hα-helixtrans-65.1-44.1177.2-177.20000111.4W269 K270 H271 E275 G276W269-S273 VanDerWaalsContact O-CB 3.22Å; W269-S273 WeakPolarHBondContact O-CB 3.49Å; W269-S273 PolarHBondContact O-N 3.49Å; K270-S273 PolarHBondContact O-N 2.92Å; H271-S273 VanDerWaalsContact C-N 3.28Å; H271-S273 PolarHBondContact O-N 2.88Å; S273-E275 VanDerWaalsContact C-N 3.31Å; S273-E275 PolarHBondContact O-N 2.74Å; S273-G276 PolarHBondContact O-N 3.48Å; S273-G276 VanDerWaalsContact O-N 3.16Å
274R89.9Confident90.2Very high212 Ų21257.1 Ų57.180%0.831%0.306SS*.Hα-helixtrans-63.1-37.1175.8-73.4172.5-176.3167.40.2112.3K270 H271 G276K270-R274 VanDerWaalsContact O-CG 3.29Å; K270-R274 WeakPolarHBondContact O-CG 3.39Å; K270-R274 PolarHBondContact O-N 3.4Å; H271-R274 PolarHBondContact O-N 2.88Å; R274-G276 VanDerWaalsContact C-N 3.28Å; R274-G276 PolarHBondContact O-N 3.33Å
275E85.1Confident89.7Confident72 Ų7259.5 Ų59.534%0.33631%0.311SS..THydrogen-bonded Turntrans-79-4.9176.5-68.1-165.9157.900114.5H271 L272 S273 N277 R280 K293H271-E275 VanDerWaalsContact CE1-CD 3.46Å; H271-E275 IonicContact CE1-OE1 3.58Å; H271-E275 PolarHBondContact CE1-OE1 2.88Å; H271-E275 IonicContact NE2-OE1 3.48Å; H271-E275 PolarHBondContact O-N 3.43Å; L272-E275 PolarHBondContact O-N 2.96Å; S273-E275 VanDerWaalsContact C-N 3.31Å; S273-E275 PolarHBondContact O-N 2.74Å; E275-N277 HydrophobicContact CB-CB 4.03Å; E275-N277 PolarHBondContact O-N 2.99Å; E275-N277 PolarHBondContact OE2-ND2 3.09Å; E275-R280 IonicContact OE2-NH2 3.15Å; E275-K293 IonicContact OE1-NZ 3.91Å; E275-K293 IonicContact OE2-NZ 3.45Å; E275-K293 PolarHBondContact OE2-NZ 3.35Å
276G85.4Confident89Confident65 Ų6563.7 Ų63.767%0.6733%0.332SS*.THydrogen-bonded Turntrans65.823.9-173.200000113.9L272 S273 R274L272-G276 PolarHBondContact O-N 3.28Å; L272-G276 VanDerWaalsContact O-N 3.14Å; S273-G276 PolarHBondContact O-N 3.48Å; S273-G276 VanDerWaalsContact O-N 3.16Å; R274-G276 VanDerWaalsContact C-N 3.28Å; R274-G276 PolarHBondContact O-N 3.33Å
277N86.6Confident88.4Confident19 Ų1962.2 Ų62.210%0.10232%0.321CS..  trans-103.99.9-168.9-92.9-23.3000114.5L239 L272 E275 G279 R280 K293L239-N277 WeakPolarHBondContact CD2-O 3.39Å; L272-N277 HydrophobicContact CD2-CB 3.83Å; L272-N277 PolarHBondContact O-N 3.2Å; E275-N277 HydrophobicContact CB-CB 4.03Å; E275-N277 PolarHBondContact O-N 2.99Å; E275-N277 PolarHBondContact OE2-ND2 3.09Å; N277-G279 PolarHBondContact O-N 3.32Å; N277-G279 VanDerWaalsContact O-N 3.15Å; N277-R280 PolarHBondContact ND2-NH2 2.93Å; N277-R280 VanDerWaalsContact O-CB 3.23Å; N277-R280 WeakPolarHBondContact O-CB 3.25Å; N277-R280 PolarHBondContact O-N 3.35Å; N277-R280 VanDerWaalsContact O-N 3.09Å; N277-K293 PolarHBondContact ND2-NZ 2.97Å
278L87.9Confident87.5Confident35 Ų3566 Ų6618%0.18334%0.335CS..THydrogen-bonded Turntrans-63.8-17.2179.2-69.8172.1000114Y235 P236 L239 W269 L272Y235-L278 WeakPolarHBondContact CD1-O 3.47Å; Y235-L278 WeakPolarHBondContact CE1-O 3.44Å; P236-L278 HydrophobicContact CB-CB 4.22Å; P236-L278 HydrophobicContact CB-CD2 4.23Å; P236-L278 HydrophobicContact CG-CB 4.37Å; L239-L278 WeakPolarHBondContact CD2-O 3.41Å; W269-L278 HydrophobicContact CD2-CD2 4.11Å; W269-L278 HydrophobicContact CE3-CD2 4.42Å; W269-L278 HydrophobicContact CG-CD2 4.46Å; W269-L278 HydrophobicContact CZ2-CD1 4.28Å; L272-L278 HydrophobicContact CB-CD2 3.66Å; L272-L278 HydrophobicContact CB-CG 4.2Å; L272-L278 HydrophobicContact CD1-CD2 4.3Å
279G86.1Confident86.4Confident44 Ų4467.2 Ų67.245%0.45434%0.341SS..THydrogen-bonded Turntrans-96.510.7175.300000114.8N277 G281 N282N277-G279 PolarHBondContact O-N 3.32Å; N277-G279 VanDerWaalsContact O-N 3.15Å; G279-G281 PolarHBondContact O-N 3.36Å; G279-N282 WeakPolarHBondContact O-CB 3.16Å; G279-N282 PolarHBondContact O-N 3.02Å
280R88.8Confident85Confident48 Ų4866.6 Ų66.618%0.18135%0.345CS..THydrogen-bonded Turntrans-65116.5-173.7-175.4-165.7-54.7175.90.6111.7I28 Q29 Y235 L239 L272 E275 N277I28-R280 WeakPolarHBondContact O-CD 3.26Å; Q29-R280 WeakPolarHBondContact CG-O 3.43Å; Q29-R280 WeakPolarHBondContact O-CD 3.42Å; Q29-R280 PolarHBondContact O-NH1 3.48Å; Y235-R280 PolarHBondContact OH-O 3.1Å; L239-R280 HydrophobicContact CD2-CB 4.13Å; L272-R280 VanDerWaalsContact CD2-NH2 3.27Å; E275-R280 IonicContact OE2-NH2 3.15Å; N277-R280 PolarHBondContact ND2-NH2 2.93Å; N277-R280 VanDerWaalsContact O-CB 3.23Å; N277-R280 WeakPolarHBondContact O-CB 3.25Å; N277-R280 PolarHBondContact O-N 3.35Å; N277-R280 VanDerWaalsContact O-N 3.09Å
281G85.3Confident83.3Confident7 Ų766.8 Ų66.87%0.07237%0.366CS..THydrogen-bonded Turntrans87.99-176.500000113.9K25 Y235 G279K25-G281 WeakPolarHBondContact CE-O 3.45Å; Y235-G281 WeakPolarHBondContact OH-CA 3.38Å; Y235-G281 PolarHBondContact OH-O 3.35Å; G279-G281 PolarHBondContact O-N 3.36Å
282N86.5Confident81.7Confident85 Ų8567.8 Ų67.846%0.45539%0.394SS..SBendtrans-74-31174.5-16533.9000111.5Y235 G279Y235-N282 HydrophobicContact CD1-CB 4.15Å; Y235-N282 HydrophobicContact CD2-CB 4.37Å; Y235-N282 WeakPolarHBondContact CD2-OD1 3.29Å; Y235-N282 HydrophobicContact CE1-CB 3.82Å; Y235-N282 HydrophobicContact CE2-CB 4.04Å; Y235-N282 HydrophobicContact CG-CB 4.43Å; Y235-N282 PolarHBondContact OH-N 3.43Å; G279-N282 WeakPolarHBondContact O-CB 3.16Å; G279-N282 PolarHBondContact O-N 3.02Å
283S86Confident80.4Confident52 Ų5270 Ų7036%0.36440%0.403SS..  trans-112.8125.1171.6178.20000110F286 R287S283-F286 WeakPolarHBondContact CB-O 3.32Å; S283-F286 PolarHBondContact OG-N 3.23Å; S283-F286 PolarHBondContact OG-O 3.39Å; S283-R287 WeakPolarHBondContact O-CG 3.47Å
284L85Confident78.7Confident19 Ų1974.9 Ų74.910%0.09942%0.417CS..SBendtrans-100.6-24.9178.9-61.4175.6000113.1V21 K25 I28 G53 L54V21-L284 HydrophobicContact CG1-CD1 3.6Å; K25-L284 HydrophobicContact CB-CD1 4.09Å; K25-L284 HydrophobicContact CB-CD2 3.84Å; K25-L284 HydrophobicContact CD-CD1 4.46Å; K25-L284 HydrophobicContact CG-CD2 4.05Å; I28-L284 HydrophobicContact CD1-CD2 3.74Å; G53-L284 CarbonylContact C-O 3.55Å; G53-L284 WeakPolarHBondContact CA-O 3.42Å; L54-L284 HydrophobicContact CB-CB 4.32Å; L54-L284 HydrophobicContact CD1-CB 4.4Å; L54-L284 HydrophobicContact CD1-CD1 4.24Å; L54-L284 PolarHBondContact N-O 2.7Å
285F83.8Confident77.4Confident112 Ų11266.1 Ų66.149%0.49138%0.384SS..SBendtrans-93.6-46.5-176.8-62.5-79.8000111.8L54 F55L54-F285 HydrophobicContact CB-CD1 4.29Å; L54-F285 HydrophobicContact CB-CE1 4.11Å; L54-F285 HydrophobicContact CD2-CE1 3.72Å; L54-F285 HydrophobicContact CD2-CZ 3.66Å; F55-F285 HydrophobicContact CD2-CE1 4.42Å; F55-F285 HydrophobicContact CE2-CD1 4.14Å; F55-F285 AromaticContact CE2-CE1 3.67Å; F55-F285 HydrophobicContact CE2-CE1 3.67Å; F55-F285 HydrophobicContact CZ-CE1 4.04Å
286F80.8Confident76.1Confident166 Ų16664.8 Ų64.873%0.72838%0.38SS*.SBendtrans-113.989.9-176.8-59.2-71.4000109.5S283S283-F286 WeakPolarHBondContact CB-O 3.32Å; S283-F286 PolarHBondContact OG-N 3.23Å; S283-F286 PolarHBondContact OG-O 3.39Å
287R83.1Confident74.6Confident18 Ų1866.1 Ų66.17%0.06838%0.375CS..EExtended strand (participates in β ladder)trans-107.2112.9-179.2-69.217460.9-160.15.4109.2E33 Q50 L51 P52 Y57 S283E33-R287 IonicContact OE1-NH2 3.68Å; E33-R287 PolarHBondContact OE1-NH2 3.06Å; E33-R287 IonicContact OE2-NH2 3.42Å; E33-R287 PolarHBondContact OE2-NH2 3.48Å; Q50-R287 WeakPolarHBondContact CA-O 3.05Å; L51-R287 HydrophobicContact CB-CB 3.71Å; L51-R287 HydrophobicContact CD1-CB 4.32Å; L51-R287 HydrophobicContact CG-CB 4.5Å; L51-R287 PolarHBondContact N-O 3.42Å; P52-R287 PolarHBondContact O-NH1 3.38Å; P52-R287 VanDerWaalsContact O-NH1 3.09Å; Y57-R287 PolarHBondContact OH-NH1 2.92Å; Y57-R287 PolarHBondContact OH-NH2 2.77Å; S283-R287 WeakPolarHBondContact O-CG 3.47Å
288K75.8Confident72.8Confident138 Ų13872.6 Ų72.660%0.641%0.41SS*.EExtended strand (participates in β ladder)trans-89.3142.1174.1-64.6178-174.6171.40108.7
289L72.4Confident71.2Confident26 Ų2676.2 Ų76.214%0.13643%0.426CS..PPolyproline II helixtrans-65.1131.4168-173.466.6000109.5Q49 L51 A291 F302Q49-L289 HydrophobicContact CB-CB 4.07Å; Q49-L289 HydrophobicContact CB-CD2 4.06Å; Q49-L289 WeakPolarHBondContact O-CB 3.47Å; Q49-L289 PolarHBondContact O-N 2.66Å; L51-L289 HydrophobicContact CD2-CD1 4.02Å; L51-L289 HydrophobicContact CG-CD1 4.47Å; L289-A291 PolarHBondContact O-N 3.34Å; L289-F302 HydrophobicContact CD1-CD1 3.57Å; L289-F302 HydrophobicContact CD1-CE1 2.98Å; L289-F302 HydrophobicContact CD1-CZ 3.7Å; L289-F302 HydrophobicContact CD2-CE1 4.49Å; L289-F302 HydrophobicContact CG-CE1 4.32Å
290P66.4Low69.9Low51 Ų5180.3 Ų80.333%0.33143%0.431SS..PPolyproline II helixtrans-57.8134.2172.7-21.833.5000110.4G292 K293P290-G292 PolarHBondContact O-N 3.16Å; P290-K293 HydrophobicContact CB-CD 4.23Å; P290-K293 HydrophobicContact CB-CG 4.23Å; P290-K293 HydrophobicContact CG-CD 4.29Å; P290-K293 PolarHBondContact O-N 3.32Å
291A58.7Low68.2Low109 Ų10981.9 Ų81.990%0.90144%0.437SS*.THydrogen-bonded Turntrans-60.1129.1178.600000110.1L289L289-A291 PolarHBondContact O-N 3.34Å
292G58.7Low66.8Low83 Ų8383.1 Ų83.186%0.85644%0.441SS*.THydrogen-bonded Turntrans92.6-8.5178.400000116P290P290-G292 PolarHBondContact O-N 3.16Å
293K63.3Low65Low46 Ų4685.8 Ų85.820%0.245%0.448CS..PPolyproline II helixtrans-86.9131.6173.2-68.1-160.8168-168.30111.1E275 N277 P290 F302 F303E275-K293 IonicContact OE1-NZ 3.91Å; E275-K293 IonicContact OE2-NZ 3.45Å; E275-K293 PolarHBondContact OE2-NZ 3.35Å; N277-K293 PolarHBondContact ND2-NZ 2.97Å; P290-K293 HydrophobicContact CB-CD 4.23Å; P290-K293 HydrophobicContact CB-CG 4.23Å; P290-K293 HydrophobicContact CG-CD 4.29Å; P290-K293 PolarHBondContact O-N 3.32Å; K293-F302 HydrophobicContact CB-CB 4.41Å; K293-F302 HydrophobicContact CB-CD1 4.22Å; K293-F302 HydrophobicContact CD-CB 4.31Å; K293-F303 WeakPolarHBondContact CA-O 3.19Å
294K57.3Low63.9Low166 Ų16687.5 Ų87.572%0.72245%0.453SS*.PPolyproline II helixtrans-100.2126.3175-75.5-176.4-179.9177.30109.1V296 F302 F303K294-V296 PolarHBondContact O-N 2.99Å; K294-F302 WeakPolarHBondContact O-CA 3.32Å; K294-F303 PolarHBondContact N-O 3.47Å; K294-F303 PolarHBondContact O-N 2.94Å; K294-F303 VanDerWaalsContact O-N 3.1Å
295Y61.5Low62.8Low28 Ų2891.1 Ų91.111%0.1147%0.471CS..EExtended strand (participates in β ladder)trans-77.8116.3168.4-167.1-111.9000109E33 P36 P37 V297 K300 F302E33-Y295 HydrophobicContact CB-CE2 4.31Å; E33-Y295 WeakPolarHBondContact O-CE2 3.49Å; E33-Y295 PolarHBondContact O-OH 3.42Å; P36-Y295 VanDerWaalsContact CA-CE1 3.49Å; P36-Y295 HydrophobicContact CB-CD1 4.18Å; P36-Y295 HydrophobicContact CB-CE1 3.86Å; P37-Y295 VanDerWaalsContact CD-CD1 3.42Å; P37-Y295 HydrophobicContact CG-CD1 4.43Å; P37-Y295 HydrophobicContact CG-CG 4.3Å; Y295-V297 HydrophobicContact CD1-CG2 3.96Å; Y295-V297 HydrophobicContact CE1-CG2 4.33Å; Y295-V297 PolarHBondContact O-N 3.09Å; Y295-K300 WeakPolarHBondContact OH-CA 3.32Å; Y295-F302 AromaticContact CD2-CD1 3.92Å; Y295-F302 HydrophobicContact CD2-CD1 3.92Å; Y295-F302 HydrophobicContact CD2-CD2 4.08Å; Y295-F302 AromaticContact CD2-CE1 3.35Å; Y295-F302 HydrophobicContact CD2-CE1 3.35Å; Y295-F302 AromaticContact CD2-CE2 3.48Å; Y295-F302 HydrophobicContact CD2-CE2 3.48Å; Y295-F302 VanDerWaalsContact CD2-CE2 3.48Å; Y295-F302 HydrophobicContact CD2-CG 4.25Å; Y295-F302 AromaticContact CD2-CZ 3.12Å; Y295-F302 HydrophobicContact CD2-CZ 3.12Å; Y295-F302 HydrophobicContact CE2-CE1 4.37Å; Y295-F302 AromaticContact CE2-CE2 3.77Å; Y295-F302 HydrophobicContact CE2-CE2 3.77Å; Y295-F302 AromaticContact CE2-CZ 3.73Å; Y295-F302 HydrophobicContact CE2-CZ 3.73Å; Y295-F302 HydrophobicContact CG-CD1 4.48Å; Y295-F302 AromaticContact CG-CE1 3.83Å; Y295-F302 HydrophobicContact CG-CE1 3.83Å; Y295-F302 AromaticContact CG-CZ 3.95Å; Y295-F302 HydrophobicContact CG-CZ 3.95Å
296V58.3Low61.6Low44 Ų4489.9 Ų89.927%0.26747%0.47SS..EExtended strand (participates in β ladder)trans-87.4108.8169.5179.90000106.8K294 D298 E299 K300 R301 F303K294-V296 PolarHBondContact O-N 2.99Å; V296-D298 VanDerWaalsContact C-N 3.26Å; V296-D298 HydrophobicContact CG1-CB 4.42Å; V296-D298 PolarHBondContact O-N 3.26Å; V296-E299 HydrophobicContact CB-CB 4.3Å; V296-E299 HydrophobicContact CG1-CB 4.03Å; V296-E299 HydrophobicContact CG1-CG 3.93Å; V296-E299 PolarHBondContact O-N 3.02Å; V296-K300 PolarHBondContact O-N 3.01Å; V296-R301 PolarHBondContact N-O 3.16Å; V296-R301 PolarHBondContact O-N 3.44Å; V296-F303 HydrophobicContact CB-CD2 4.22Å; V296-F303 HydrophobicContact CB-CE2 4.2Å; V296-F303 HydrophobicContact CG2-CD2 3.51Å; V296-F303 HydrophobicContact CG2-CE2 3.81Å
297V54.5Low60.5Low93 Ų9385.5 Ų85.556%0.56446%0.455SS*.THydrogen-bonded Turntrans-61.2-37.4-175.5178.30000111.2Y295 K300Y295-V297 HydrophobicContact CD1-CG2 3.96Å; Y295-V297 HydrophobicContact CE1-CG2 4.33Å; Y295-V297 PolarHBondContact O-N 3.09Å; V297-K300 PolarHBondContact O-N 2.89Å
298D48Very low59.1Low155 Ų15589.7 Ų89.783%0.82948%0.479SS*.THydrogen-bonded Turntrans-69.3-34-178.2-59.5-43.2000112.6V296V296-D298 VanDerWaalsContact C-N 3.26Å; V296-D298 HydrophobicContact CG1-CB 4.42Å; V296-D298 PolarHBondContact O-N 3.26Å
299E54Low58Low111 Ų11186.5 Ų86.552%0.51947%0.471SS..THydrogen-bonded Turntrans-95-4.8179.2-63.8-169.8-163.900113.2V296 R301 F303V296-E299 HydrophobicContact CB-CB 4.3Å; V296-E299 HydrophobicContact CG1-CB 4.03Å; V296-E299 HydrophobicContact CG1-CG 3.93Å; V296-E299 PolarHBondContact O-N 3.02Å; E299-R301 HydrophobicContact CB-CB 4.29Å; E299-R301 PolarHBondContact O-N 3.08Å; E299-F303 WeakPolarHBondContact OE2-CE2 3.37Å; E299-F303 WeakPolarHBondContact OE2-CZ 3.47Å
300K59.4Low57Low129 Ų12990.8 Ų90.856%0.56150%0.495SS*.THydrogen-bonded Turntrans47.839.3-173-60.4177.7-177.9170.90112.3Y295 V296 V297Y295-K300 WeakPolarHBondContact OH-CA 3.32Å; V296-K300 PolarHBondContact O-N 3.01Å; V297-K300 PolarHBondContact O-N 2.89Å
301R54.3Low56.2Low81 Ų8193.8 Ų93.831%0.30651%0.508SS..EExtended strand (participates in β ladder)trans-140.8156.4-171.9-157.7-179.8-175-148.41.8112.6P257 Y258 V296 E299P257-R301 PolarHBondContact O-NE 3.45Å; P257-R301 PolarHBondContact O-NH1 3.24Å; P257-R301 PolarHBondContact O-NH2 3.08Å; Y258-R301 PolarHBondContact O-NH2 3.44Å; V296-R301 PolarHBondContact N-O 3.16Å; V296-R301 PolarHBondContact O-N 3.44Å; E299-R301 HydrophobicContact CB-CB 4.29Å; E299-R301 PolarHBondContact O-N 3.08Å
302F56Low56Low34 Ų3492.6 Ų92.615%0.14948%0.475CS..EExtended strand (participates in β ladder)trans-92.9134.2168.8-62.4-79.3000111.2E33 L51 L289 K293 K294 Y295E33-F302 HydrophobicContact CB-CD2 4.45Å; E33-F302 HydrophobicContact CB-CE2 3.6Å; E33-F302 HydrophobicContact CB-CZ 4.44Å; E33-F302 HydrophobicContact CG-CD2 4.38Å; E33-F302 HydrophobicContact CG-CE2 3.7Å; E33-F302 WeakPolarHBondContact OE2-CE2 3.31Å; E33-F302 WeakPolarHBondContact OE2-CZ 3.35Å; L51-F302 HydrophobicContact CD2-CE1 4.27Å; L51-F302 HydrophobicContact CD2-CE2 4.39Å; L51-F302 HydrophobicContact CD2-CZ 3.54Å; L289-F302 HydrophobicContact CD1-CD1 3.57Å; L289-F302 HydrophobicContact CD1-CE1 2.98Å; L289-F302 HydrophobicContact CD1-CZ 3.7Å; L289-F302 HydrophobicContact CD2-CE1 4.49Å; L289-F302 HydrophobicContact CG-CE1 4.32Å; K293-F302 HydrophobicContact CB-CB 4.41Å; K293-F302 HydrophobicContact CB-CD1 4.22Å; K293-F302 HydrophobicContact CD-CB 4.31Å; K294-F302 WeakPolarHBondContact O-CA 3.32Å; Y295-F302 AromaticContact CD2-CD1 3.92Å; Y295-F302 HydrophobicContact CD2-CD1 3.92Å; Y295-F302 HydrophobicContact CD2-CD2 4.08Å; Y295-F302 AromaticContact CD2-CE1 3.35Å; Y295-F302 HydrophobicContact CD2-CE1 3.35Å; Y295-F302 AromaticContact CD2-CE2 3.48Å; Y295-F302 HydrophobicContact CD2-CE2 3.48Å; Y295-F302 VanDerWaalsContact CD2-CE2 3.48Å; Y295-F302 HydrophobicContact CD2-CG 4.25Å; Y295-F302 AromaticContact CD2-CZ 3.12Å; Y295-F302 HydrophobicContact CD2-CZ 3.12Å; Y295-F302 HydrophobicContact CE2-CE1 4.37Å; Y295-F302 AromaticContact CE2-CE2 3.77Å; Y295-F302 HydrophobicContact CE2-CE2 3.77Å; Y295-F302 AromaticContact CE2-CZ 3.73Å; Y295-F302 HydrophobicContact CE2-CZ 3.73Å; Y295-F302 HydrophobicContact CG-CD1 4.48Å; Y295-F302 AromaticContact CG-CE1 3.83Å; Y295-F302 HydrophobicContact CG-CE1 3.83Å; Y295-F302 AromaticContact CG-CZ 3.95Å; Y295-F302 HydrophobicContact CG-CZ 3.95Å
303F47Very low55.8Low141 Ų14193.5 Ų93.562%0.61844%0.44SS*.  trans-104.10160.6-70.2-93000109.4K293 K294 V296 E299K293-F303 WeakPolarHBondContact CA-O 3.19Å; K294-F303 PolarHBondContact N-O 3.47Å; K294-F303 PolarHBondContact O-N 2.94Å; K294-F303 VanDerWaalsContact O-N 3.1Å; V296-F303 HydrophobicContact CB-CD2 4.22Å; V296-F303 HydrophobicContact CB-CE2 4.2Å; V296-F303 HydrophobicContact CG2-CD2 3.51Å; V296-F303 HydrophobicContact CG2-CE2 3.81Å; E299-F303 WeakPolarHBondContact OE2-CE2 3.37Å; E299-F303 WeakPolarHBondContact OE2-CZ 3.47Å

Retrieved 303 of 303 residues in 288.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).