A0A2K5KJY6_CERAT Loading...

Mitochondrial carrier homolog 2

Protein insertase that mediates insertion of transmembrane proteins into the mitochondrial outer membrane. Catalyzes insertion of proteins with alpha-helical transmembrane regions, such as signal-anchored, tail-anchored and multi-pass membrane proteins. Does not mediate insertion of beta-barrel transmembrane proteins. Also acts as a receptor for the truncated form of pro-apoptotic BH3-interacting domain death agonist (p15 BID) and has therefore a critical function in apoptosis. Regulates the quiescence/cycling of hematopoietic stem cells (HSCs). Acts as a regulator of mitochondrial fusion, essential for the naive-to-primed interconversion of embryonic stem cells (ESCs). Acts as a regulator of lipid homeostasis and has a regulatory role in adipocyte differentiation and biology.

AlphaFold DB , UniProt , Accession A0A2K5KJY6, Species CERAT (Cercocebus atys, Sooty mangabey), Gene MTCH2, Length 303 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.6Very low78.4Confident209 Ų20994.1 Ų94.1100%1.0356%0.563SS**  0-41.10-69.1-144.3-69.900112.7D3 A4 A5M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.48Å; M1-A4 PolarHBondContact O-N 3.33Å; M1-A5 PolarHBondContact O-N 3.46Å
2A56.6Low79.6Confident77 Ų7788.8 Ų88.864%0.63653%0.534SS*.Hα-helixtrans-56.7-38.3175.400000113.4A5 S6A2-A5 PolarHBondContact O-N 2.92Å; A2-S6 WeakPolarHBondContact O-CB 3.48Å; A2-S6 PolarHBondContact O-N 2.93Å
3D76Confident80.7Confident125 Ų12584.5 Ų84.567%0.66852%0.519SS*.Hα-helixtrans-68.7-39.5-178.7-53.9-39.2000113.2M1 S6 Q7M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.48Å; D3-S6 PolarHBondContact O-N 3.21Å; D3-Q7 WeakPolarHBondContact O-CB 3.44Å; D3-Q7 WeakPolarHBondContact O-CG 3.17Å; D3-Q7 PolarHBondContact O-N 3.31Å
4A74.6Confident81.5Confident52 Ų5287.1 Ų87.143%0.4353%0.527SS..Hα-helixtrans-67.2-41.5177.900000111.6M1 Q7 V8M1-A4 PolarHBondContact O-N 3.33Å; A4-Q7 PolarHBondContact O-N 3.42Å; A4-V8 WeakPolarHBondContact O-CB 3.48Å; A4-V8 VanDerWaalsContact O-CG2 3.27Å; A4-V8 WeakPolarHBondContact O-CG2 3.45Å; A4-V8 PolarHBondContact O-N 3.18Å
5A81.8Confident82.4Confident63 Ų6382.9 Ų82.952%0.52150%0.502SS..Hα-helixtrans-64-41.6175.700000111.5M1 A2 V8 L9M1-A5 PolarHBondContact O-N 3.46Å; A2-A5 PolarHBondContact O-N 2.92Å; A5-V8 PolarHBondContact O-N 3.14Å; A5-L9 WeakPolarHBondContact O-CB 3.47Å; A5-L9 PolarHBondContact O-N 3.5Å
6S85.4Confident83.2Confident61 Ų6182.1 Ų82.143%0.42749%0.493SS..Hα-helixtrans-62.5-46.1175.4-1740000112A2 D3 V8 L9 L10A2-S6 WeakPolarHBondContact O-CB 3.48Å; A2-S6 PolarHBondContact O-N 2.93Å; D3-S6 PolarHBondContact O-N 3.21Å; S6-V8 PolarHBondContact O-N 3.28Å; S6-L9 PolarHBondContact O-N 3.04Å; S6-L10 WeakPolarHBondContact O-CB 3.39Å; S6-L10 WeakPolarHBondContact O-CG 3.48Å; S6-L10 PolarHBondContact O-N 2.9Å
7Q83.4Confident83.9Confident125 Ų12585.2 Ų85.258%0.58451%0.506SS*.Hα-helixtrans-61.5-41.7176.2-76.1-175.2-10.200112.5D3 A4 G11D3-Q7 WeakPolarHBondContact O-CB 3.44Å; D3-Q7 WeakPolarHBondContact O-CG 3.17Å; D3-Q7 PolarHBondContact O-N 3.31Å; A4-Q7 PolarHBondContact O-N 3.42Å; Q7-G11 PolarHBondContact O-N 2.91Å
8V88.7Confident84.4Confident36 Ų3682.1 Ų82.122%0.21849%0.489CS..Hα-helixtrans-64.9-42.5176.3168.90000111.3A4 A5 S6 G11 S12 V82 T85A4-V8 WeakPolarHBondContact O-CB 3.48Å; A4-V8 VanDerWaalsContact O-CG2 3.27Å; A4-V8 WeakPolarHBondContact O-CG2 3.45Å; A4-V8 PolarHBondContact O-N 3.18Å; A5-V8 PolarHBondContact O-N 3.14Å; S6-V8 PolarHBondContact O-N 3.28Å; V8-G11 PolarHBondContact O-N 3.02Å; V8-S12 VanDerWaalsContact O-CB 3.26Å; V8-S12 WeakPolarHBondContact O-CB 3.34Å; V8-S12 PolarHBondContact O-N 2.79Å; V8-S12 PolarHBondContact O-OG 3.17Å; V8-V82 HydrophobicContact CG1-CG2 3.85Å; V8-T85 HydrophobicContact CG2-CG2 4.02Å
9L90.2Very high85Confident134 Ų13477.8 Ų77.870%0.70246%0.463SS*.Hα-helixtrans-63-49.5178.4-16897000111.1A5 S6 S12 G13A5-L9 WeakPolarHBondContact O-CB 3.47Å; A5-L9 PolarHBondContact O-N 3.5Å; S6-L9 PolarHBondContact O-N 3.04Å; L9-S12 PolarHBondContact O-N 3.4Å; L9-G13 PolarHBondContact O-N 2.98Å
10L90Very high85.5Confident118 Ų11875.3 Ų75.362%0.61845%0.449SS*.Hα-helixtrans-61.8-45.4177.7-70.9172000111.5S6 S12 G13 L14S6-L10 WeakPolarHBondContact O-CB 3.39Å; S6-L10 WeakPolarHBondContact O-CG 3.48Å; S6-L10 PolarHBondContact O-N 2.9Å; L10-S12 VanDerWaalsContact C-N 3.34Å; L10-S12 PolarHBondContact O-N 3.49Å; L10-G13 PolarHBondContact O-N 3.29Å; L10-L14 PolarHBondContact O-N 3.46Å
11G88.4Confident85.9Confident35 Ų3575.3 Ų75.336%0.36145%0.446SS..Hα-helixtrans-62.7-39.1177.400000112.8Q7 V8 T15Q7-G11 PolarHBondContact O-N 2.91Å; V8-G11 PolarHBondContact O-N 3.02Å; G11-T15 WeakPolarHBondContact O-CB 3.48Å; G11-T15 PolarHBondContact O-N 3.48Å; G11-T15 PolarHBondContact O-OG1 3.34Å
12S92.2Very high88.1Confident31 Ų3167.1 Ų67.122%0.21741%0.406CS..Hα-helixtrans-67-44.6176.1-60.10000111.4V8 L9 L10 L14 T15 I16V8-S12 VanDerWaalsContact O-CB 3.26Å; V8-S12 WeakPolarHBondContact O-CB 3.34Å; V8-S12 PolarHBondContact O-N 2.79Å; V8-S12 PolarHBondContact O-OG 3.17Å; L9-S12 PolarHBondContact O-N 3.4Å; L10-S12 VanDerWaalsContact C-N 3.34Å; L10-S12 PolarHBondContact O-N 3.49Å; S12-L14 PolarHBondContact O-N 3.26Å; S12-T15 WeakPolarHBondContact O-CB 3.39Å; S12-T15 PolarHBondContact O-N 3.01Å; S12-I16 VanDerWaalsContact O-CG1 3.31Å; S12-I16 WeakPolarHBondContact O-CG1 3.47Å; S12-I16 PolarHBondContact O-N 3.46Å
13G93.8Very high90Very high33 Ų3363.5 Ų63.534%0.3438%0.376SS..Hα-helixtrans-58.4-47.6175.600000112.4L9 L10 T15 I16 L17L9-G13 PolarHBondContact O-N 2.98Å; L10-G13 PolarHBondContact O-N 3.29Å; G13-T15 VanDerWaalsContact C-N 3.3Å; G13-T15 PolarHBondContact O-N 3.03Å; G13-I16 PolarHBondContact O-N 2.85Å; G13-L17 WeakPolarHBondContact O-CG 3.27Å; G13-L17 PolarHBondContact O-N 2.95Å
14L92.9Very high90.9Very high121 Ų12157.6 Ų57.663%0.63434%0.344SS*.Hα-helixtrans-64.1-35.8176.7-174.264.3000112.3L10 S12 L17 S18L10-L14 PolarHBondContact O-N 3.46Å; S12-L14 PolarHBondContact O-N 3.26Å; L14-L17 PolarHBondContact O-N 2.97Å; L14-S18 VanDerWaalsContact O-CB 3.26Å; L14-S18 WeakPolarHBondContact O-CB 3.43Å; L14-S18 PolarHBondContact O-N 2.88Å; L14-S18 PolarHBondContact O-OG 2.89Å
15T94.1Very high91.9Very high23 Ų2357.8 Ų57.814%0.14134%0.335CS..Hα-helixtrans-64-44.9176.4-63.80000111.4G11 S12 G13 S18 Q19 L74 R77 L78G11-T15 WeakPolarHBondContact O-CB 3.48Å; G11-T15 PolarHBondContact O-N 3.48Å; G11-T15 PolarHBondContact O-OG1 3.34Å; S12-T15 WeakPolarHBondContact O-CB 3.39Å; S12-T15 PolarHBondContact O-N 3.01Å; G13-T15 VanDerWaalsContact C-N 3.3Å; G13-T15 PolarHBondContact O-N 3.03Å; T15-S18 PolarHBondContact O-N 3.12Å; T15-S18 PolarHBondContact O-OG 3.41Å; T15-Q19 PolarHBondContact O-N 3.11Å; T15-L74 HydrophobicContact CG2-CD1 4.19Å; T15-R77 HydrophobicContact CG2-CB 4.33Å; T15-R77 HydrophobicContact CG2-CG 3.74Å; T15-L78 HydrophobicContact CG2-CD2 3.93Å
16I95.4Very high92.6Very high70 Ų7054.9 Ų54.936%0.35931%0.311SS..Hα-helixtrans-61.4-48.5176.9-66.3164000110.3S12 G13 S18 Q19 F71 L74 L78S12-I16 VanDerWaalsContact O-CG1 3.31Å; S12-I16 WeakPolarHBondContact O-CG1 3.47Å; S12-I16 PolarHBondContact O-N 3.46Å; G13-I16 PolarHBondContact O-N 2.85Å; I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 3.34Å; I16-Q19 WeakPolarHBondContact O-CB 3.48Å; I16-Q19 PolarHBondContact O-N 3.47Å; I16-F71 HydrophobicContact CG2-CE1 4.14Å; I16-L74 HydrophobicContact CG1-CD1 4.04Å; I16-L74 HydrophobicContact CG1-CD2 4.18Å; I16-L78 HydrophobicContact CG1-CD2 4.33Å
17L94.7Very high93Very high136 Ų13652 Ų5271%0.71229%0.291SS*.Hα-helixtrans-63.7-38.1-179.7-69.3173.2000112.6G13 L14G13-L17 WeakPolarHBondContact O-CG 3.27Å; G13-L17 PolarHBondContact O-N 2.95Å; L14-L17 PolarHBondContact O-N 2.97Å
18S94Very high93.5Very high29 Ų2946 Ų4620%0.20326%0.263CS..Hα-helixtrans-85-4.1-179.666.40000114.2L14 T15 I16 L21 M22 R77L14-S18 VanDerWaalsContact O-CB 3.26Å; L14-S18 WeakPolarHBondContact O-CB 3.43Å; L14-S18 PolarHBondContact O-N 2.88Å; L14-S18 PolarHBondContact O-OG 2.89Å; T15-S18 PolarHBondContact O-N 3.12Å; T15-S18 PolarHBondContact O-OG 3.41Å; I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 3.34Å; S18-L21 WeakPolarHBondContact O-CB 3.38Å; S18-L21 PolarHBondContact O-N 2.91Å; S18-M22 PolarHBondContact O-N 3.26Å; S18-R77 PolarHBondContact OG-NH2 2.95Å
19Q94.8Very high93.7Very high0 Ų044.4 Ų44.40%025%0.253CS..Hα-helixtrans-59.7-47.2-175.7-174.168.13.100113.6T15 I16 L21 M22 Y23 F71 T72 L74T15-Q19 PolarHBondContact O-N 3.11Å; I16-Q19 WeakPolarHBondContact O-CB 3.48Å; I16-Q19 PolarHBondContact O-N 3.47Å; Q19-L21 VanDerWaalsContact C-N 3.26Å; Q19-L21 PolarHBondContact O-N 3.13Å; Q19-M22 PolarHBondContact O-N 3.32Å; Q19-Y23 WeakPolarHBondContact O-CB 3.48Å; Q19-Y23 PolarHBondContact O-N 2.86Å; Q19-F71 HydrophobicContact CB-CD1 4.1Å; Q19-F71 HydrophobicContact CG-CD1 4.21Å; Q19-T72 PolarHBondContact NE2-O 3.37Å; Q19-L74 HydrophobicContact CB-CD1 4.19Å; Q19-L74 HydrophobicContact CG-CB 4.27Å; Q19-L74 HydrophobicContact CG-CD1 4.15Å
20P94.9Very high93.8Very high27 Ų2738.3 Ų38.318%0.17522%0.222CC..Hα-helixtrans-60.9-36.3177.8-24.236.1000112.7Y23 V24 L70 F71P20-Y23 PolarHBondContact O-N 3.12Å; P20-V24 WeakPolarHBondContact O-CG2 3.47Å; P20-V24 PolarHBondContact O-N 3.38Å; P20-V24 VanDerWaalsContact O-N 3.15Å; P20-L70 HydrophobicContact CB-CB 4.31Å; P20-L70 HydrophobicContact CB-CD1 4.5Å; P20-L70 HydrophobicContact CB-CD2 4.31Å; P20-L70 HydrophobicContact CG-CB 4.27Å; P20-F71 HydrophobicContact CG-CE1 4.39Å; P20-F71 HydrophobicContact CG-CZ 4.37Å
21L94.3Very high93.7Very high76 Ų7634.1 Ų34.140%0.39821%0.206SC..Hα-helixtrans-64.9-47.4177.5-55.9-177.4000111.3S18 Q19 Y23 K25 L54S18-L21 WeakPolarHBondContact O-CB 3.38Å; S18-L21 PolarHBondContact O-N 2.91Å; Q19-L21 VanDerWaalsContact C-N 3.26Å; Q19-L21 PolarHBondContact O-N 3.13Å; L21-Y23 VanDerWaalsContact C-N 3.32Å; L21-Y23 PolarHBondContact O-N 3.39Å; L21-K25 VanDerWaalsContact O-CB 3.3Å; L21-K25 WeakPolarHBondContact O-CB 3.31Å; L21-K25 PolarHBondContact O-N 3.3Å; L21-L54 HydrophobicContact CD2-CD1 3.75Å; L21-L54 HydrophobicContact CD2-CD2 3.18Å; L21-L54 HydrophobicContact CD2-CG 3.98Å
22M94.8Very high93.9Very high37 Ų3734.3 Ų34.318%0.18220%0.197CC..Hα-helixtrans-63-41.8179.1-176.160.4-178.200111.1S18 Q19 K25 V26 L146 M149S18-M22 PolarHBondContact O-N 3.26Å; Q19-M22 PolarHBondContact O-N 3.32Å; M22-K25 WeakPolarHBondContact O-CB 3.33Å; M22-K25 PolarHBondContact O-N 3Å; M22-V26 HydrophobicContact CE-CG2 3.65Å; M22-V26 HydrophobicContact CG-CG2 4.4Å; M22-V26 VanDerWaalsContact O-CG2 3.32Å; M22-V26 WeakPolarHBondContact O-CG2 3.44Å; M22-V26 PolarHBondContact O-N 3.48Å; M22-V26 HydrophobicContact SD-CG2 4.23Å; M22-L146 HydrophobicContact CE-CD2 4.36Å; M22-M149 HydrophobicContact CG-CE 4.11Å
23Y95.7Very high93.8Very high2 Ų235.5 Ų35.51%0.00820%0.199CC..Hα-helixtrans-61.5-51.7179.8-173.3-174.4000111.7Q19 P20 L21 K25 V26 L27 I61 G69 M149 F152Q19-Y23 WeakPolarHBondContact O-CB 3.48Å; Q19-Y23 PolarHBondContact O-N 2.86Å; P20-Y23 PolarHBondContact O-N 3.12Å; L21-Y23 VanDerWaalsContact C-N 3.32Å; L21-Y23 PolarHBondContact O-N 3.39Å; Y23-K25 VanDerWaalsContact C-N 3.27Å; Y23-K25 PolarHBondContact O-N 3.03Å; Y23-V26 PolarHBondContact O-N 3.38Å; Y23-L27 HydrophobicContact CD2-CD1 4.04Å; Y23-L27 HydrophobicContact CD2-CG 3.99Å; Y23-L27 HydrophobicContact CE2-CD1 3.63Å; Y23-L27 HydrophobicContact CE2-CD2 4.12Å; Y23-L27 HydrophobicContact CE2-CG 3.81Å; Y23-L27 PolarHBondContact O-N 3.23Å; Y23-L27 VanDerWaalsContact O-N 3.12Å; Y23-I61 HydrophobicContact CD1-CD1 4.44Å; Y23-I61 HydrophobicContact CD1-CG2 4.35Å; Y23-I61 HydrophobicContact CE1-CD1 4.41Å; Y23-I61 HydrophobicContact CE1-CG2 3.67Å; Y23-G69 VanDerWaalsContact CE1-O 3.22Å; Y23-G69 WeakPolarHBondContact CE1-O 3.44Å; Y23-M149 HydrophobicContact CD2-CB 3.57Å; Y23-M149 HydrophobicContact CD2-CG 3.6Å; Y23-M149 HydrophobicContact CD2-SD 4.33Å; Y23-M149 HydrophobicContact CE2-CB 3.68Å; Y23-M149 HydrophobicContact CE2-CG 4.07Å; Y23-M149 VanDerWaalsContact CE2-O 3.27Å; Y23-M149 WeakPolarHBondContact CE2-O 3.34Å; Y23-M149 HydrophobicContact CG-CG 4.09Å; Y23-F152 HydrophobicContact CE2-CB 4.45Å; Y23-F152 WeakPolarHBondContact OH-CB 3.29Å; Y23-F152 WeakPolarHBondContact OH-CD2 3.2Å; Y23-F152 WeakPolarHBondContact OH-CG 3.33Å
24V95.3Very high93.4Very high0 Ų036 Ų360%020%0.196CC..Hα-helixtrans-58.8-41.7175.6173.10000111.1P20 V26 L27 I28 L54 Y57 A58 I61P20-V24 WeakPolarHBondContact O-CG2 3.47Å; P20-V24 PolarHBondContact O-N 3.38Å; P20-V24 VanDerWaalsContact O-N 3.15Å; V24-V26 PolarHBondContact O-N 3.38Å; V24-L27 PolarHBondContact O-N 2.86Å; V24-I28 HydrophobicContact CG1-CD1 3.61Å; V24-I28 HydrophobicContact CG1-CG1 4.38Å; V24-I28 VanDerWaalsContact O-CG1 3.32Å; V24-I28 WeakPolarHBondContact O-CG1 3.28Å; V24-I28 PolarHBondContact O-N 3.35Å; V24-L54 HydrophobicContact CB-CD1 3.74Å; V24-L54 HydrophobicContact CG1-CD1 3.8Å; V24-L54 HydrophobicContact CG2-CD1 4.05Å; V24-Y57 HydrophobicContact CG1-CD1 3.95Å; V24-Y57 HydrophobicContact CG1-CG 4.02Å; V24-A58 HydrophobicContact CG2-CB 4.04Å; V24-I61 HydrophobicContact CG2-CD1 3.8Å
25K95.3Very high93.2Very high56 Ų5632.3 Ų32.324%0.24318%0.177CC..Hα-helixtrans-58.1-47.5177.1-175.6174.6-174.4176.80112L21 M22 Y23 L27 I28 Q29 G281 L284L21-K25 VanDerWaalsContact O-CB 3.3Å; L21-K25 WeakPolarHBondContact O-CB 3.31Å; L21-K25 PolarHBondContact O-N 3.3Å; M22-K25 WeakPolarHBondContact O-CB 3.33Å; M22-K25 PolarHBondContact O-N 3Å; Y23-K25 VanDerWaalsContact C-N 3.27Å; Y23-K25 PolarHBondContact O-N 3.03Å; K25-L27 PolarHBondContact O-N 2.93Å; K25-I28 PolarHBondContact O-N 2.6Å; K25-Q29 HydrophobicContact CG-CG 4.37Å; K25-Q29 WeakPolarHBondContact O-CB 3.49Å; K25-Q29 VanDerWaalsContact O-CG 3.25Å; K25-Q29 WeakPolarHBondContact O-CG 3.38Å; K25-Q29 PolarHBondContact O-N 2.96Å; K25-G281 WeakPolarHBondContact CE-O 3.41Å; K25-L284 HydrophobicContact CB-CD1 4.09Å; K25-L284 HydrophobicContact CB-CD2 3.8Å; K25-L284 HydrophobicContact CG-CD2 4.06Å
26V95.4Very high92.8Very high2 Ų235.7 Ų35.71%0.01220%0.199CC..Hα-helixtrans-62.6-43.7-179.2168.90000111.1M22 Y23 V24 I28 Q29 V30 L146 M149 V150M22-V26 HydrophobicContact CE-CG2 3.65Å; M22-V26 HydrophobicContact CG-CG2 4.4Å; M22-V26 VanDerWaalsContact O-CG2 3.32Å; M22-V26 WeakPolarHBondContact O-CG2 3.44Å; M22-V26 PolarHBondContact O-N 3.48Å; M22-V26 HydrophobicContact SD-CG2 4.23Å; Y23-V26 PolarHBondContact O-N 3.38Å; V24-V26 PolarHBondContact O-N 3.38Å; V26-I28 VanDerWaalsContact C-N 3.33Å; V26-I28 PolarHBondContact O-N 3.23Å; V26-Q29 WeakPolarHBondContact O-CB 3.46Å; V26-Q29 PolarHBondContact O-N 2.98Å; V26-Q29 VanDerWaalsContact O-N 3.15Å; V26-V30 PolarHBondContact O-N 3.23Å; V26-L146 HydrophobicContact CB-CD2 4.3Å; V26-L146 HydrophobicContact CG1-CD2 3.81Å; V26-L146 HydrophobicContact CG2-CD2 3.44Å; V26-L146 VanDerWaalsContact CG2-CD2 3.44Å; V26-M149 HydrophobicContact CB-SD 4Å; V26-M149 HydrophobicContact CG1-CB 4.16Å; V26-M149 HydrophobicContact CG1-SD 4.28Å; V26-M149 HydrophobicContact CG2-SD 3.81Å; V26-V150 HydrophobicContact CG1-CG2 3.94Å
27L94.5Very high92.4Very high0 Ų033 Ų330%019%0.186CC..Hα-helixtrans-62.1-40.7176.8-67.5-176.5000112.4Y23 V24 K25 V30 G31 Y32 I61 F152 I153Y23-L27 HydrophobicContact CD2-CD1 4.04Å; Y23-L27 HydrophobicContact CD2-CG 3.99Å; Y23-L27 HydrophobicContact CE2-CD1 3.63Å; Y23-L27 HydrophobicContact CE2-CD2 4.12Å; Y23-L27 HydrophobicContact CE2-CG 3.81Å; Y23-L27 PolarHBondContact O-N 3.23Å; Y23-L27 VanDerWaalsContact O-N 3.12Å; V24-L27 PolarHBondContact O-N 2.86Å; K25-L27 PolarHBondContact O-N 2.93Å; L27-V30 WeakPolarHBondContact O-CG2 3.41Å; L27-V30 PolarHBondContact O-N 3.01Å; L27-G31 PolarHBondContact O-N 2.82Å; L27-Y32 HydrophobicContact CB-CD1 4.35Å; L27-Y32 HydrophobicContact CD1-CD1 4.35Å; L27-Y32 WeakPolarHBondContact O-CB 3.37Å; L27-Y32 PolarHBondContact O-N 2.89Å; L27-I61 HydrophobicContact CD1-CD1 3.78Å; L27-I61 HydrophobicContact CD1-CG1 4.28Å; L27-F152 HydrophobicContact CD1-CD1 3.82Å; L27-F152 HydrophobicContact CD1-CE1 4.4Å; L27-I153 HydrophobicContact CD2-CD1 4.09Å; L27-I153 HydrophobicContact CD2-CG1 3.97Å
28I93.4Very high91.9Very high1 Ų130.4 Ų30.41%0.00518%0.176CC..Hα-helixtrans-66.3-39.8174.5-67.5164.9000110.8V24 K25 V26 V30 G31 Y57 R280 L284V24-I28 HydrophobicContact CG1-CD1 3.61Å; V24-I28 HydrophobicContact CG1-CG1 4.38Å; V24-I28 VanDerWaalsContact O-CG1 3.32Å; V24-I28 WeakPolarHBondContact O-CG1 3.28Å; V24-I28 PolarHBondContact O-N 3.35Å; K25-I28 PolarHBondContact O-N 2.6Å; V26-I28 VanDerWaalsContact C-N 3.33Å; V26-I28 PolarHBondContact O-N 3.23Å; I28-V30 VanDerWaalsContact C-N 3.34Å; I28-V30 PolarHBondContact O-N 3.26Å; I28-G31 WeakPolarHBondContact O-CA 3.47Å; I28-G31 PolarHBondContact O-N 3.48Å; I28-Y57 HydrophobicContact CG1-CE1 4.06Å; I28-R280 VanDerWaalsContact O-CD 3.23Å; I28-R280 WeakPolarHBondContact O-CD 3.05Å; I28-R280 WeakPolarHBondContact O-CG 3.11Å; I28-L284 HydrophobicContact CD1-CD2 3.79Å
29Q94Very high91.4Very high2 Ų232.9 Ų32.91%0.00919%0.186CC..Hα-helixtrans-61.3-41.7178.8-77-177.3-40.700112K25 V26 G31 Y235 L239 N242 L243 R280K25-Q29 HydrophobicContact CG-CG 4.37Å; K25-Q29 WeakPolarHBondContact O-CB 3.49Å; K25-Q29 VanDerWaalsContact O-CG 3.25Å; K25-Q29 WeakPolarHBondContact O-CG 3.38Å; K25-Q29 PolarHBondContact O-N 2.96Å; V26-Q29 WeakPolarHBondContact O-CB 3.46Å; V26-Q29 PolarHBondContact O-N 2.98Å; V26-Q29 VanDerWaalsContact O-N 3.15Å; Q29-G31 PolarHBondContact O-N 3.24Å; Q29-Y235 PolarHBondContact NE2-OH 3.22Å; Q29-L239 HydrophobicContact CB-CD1 3.73Å; Q29-L239 HydrophobicContact CG-CD1 3.76Å; Q29-N242 PolarHBondContact OE1-ND2 3.43Å; Q29-L243 WeakPolarHBondContact O-CD2 3.32Å; Q29-R280 WeakPolarHBondContact O-CD 3.29Å
30V91.8Very high90.8Very high6 Ų633.7 Ų33.74%0.03620%0.195CC..Hα-helixtrans-72.7-8.4175.4-560000113.3V26 L27 I28 V150 I153 L243 V246V26-V30 PolarHBondContact O-N 3.23Å; L27-V30 WeakPolarHBondContact O-CG2 3.41Å; L27-V30 PolarHBondContact O-N 3.01Å; I28-V30 VanDerWaalsContact C-N 3.34Å; I28-V30 PolarHBondContact O-N 3.26Å; V30-V150 HydrophobicContact CG1-CG2 3.87Å; V30-V150 HydrophobicContact CG2-CG2 4.34Å; V30-I153 HydrophobicContact CG2-CD1 3.59Å; V30-L243 HydrophobicContact CB-CD2 4.43Å; V30-L243 HydrophobicContact CG1-CD2 4.25Å; V30-V246 HydrophobicContact CG1-CG2 3.72Å
31G89.1Confident90.1Very high29 Ų2941.3 Ų41.330%0.29922%0.22SC..THydrogen-bonded Turntrans89.516.4175.900000114.4L27 I28 Q29 E33L27-G31 PolarHBondContact O-N 2.82Å; I28-G31 WeakPolarHBondContact O-CA 3.47Å; I28-G31 PolarHBondContact O-N 3.48Å; Q29-G31 PolarHBondContact O-N 3.24Å; G31-E33 PolarHBondContact O-N 3.47Å
32Y91.1Very high89.5Confident39 Ų3940 Ų4015%0.15321%0.213CC..  trans-77.2111.2176.8179.2-114.7000111.1L27 P34 Y57 F152 I153L27-Y32 HydrophobicContact CB-CD1 4.35Å; L27-Y32 HydrophobicContact CD1-CD1 4.35Å; L27-Y32 WeakPolarHBondContact O-CB 3.37Å; L27-Y32 PolarHBondContact O-N 2.89Å; Y32-P34 HydrophobicContact CD1-CG 4.09Å; Y32-P34 HydrophobicContact CE1-CB 3.88Å; Y32-P34 HydrophobicContact CE1-CG 3.51Å; Y32-P34 HydrophobicContact CE2-CB 4.32Å; Y32-Y57 PolarHBondContact O-OH 2.79Å; Y32-F152 HydrophobicContact CE1-CD1 4Å; Y32-F152 AromaticContact CE1-CE1 3.93Å; Y32-F152 HydrophobicContact CE1-CE1 3.93Å; Y32-I153 HydrophobicContact CD1-CG1 4Å; Y32-I153 HydrophobicContact CD2-CB 4.19Å; Y32-I153 HydrophobicContact CD2-CD1 4.16Å; Y32-I153 HydrophobicContact CD2-CG1 3.74Å; Y32-I153 HydrophobicContact CD2-CG2 3.67Å; Y32-I153 HydrophobicContact CE1-CG1 4.42Å; Y32-I153 HydrophobicContact CE2-CB 4.33Å; Y32-I153 HydrophobicContact CE2-CG1 4.2Å; Y32-I153 HydrophobicContact CE2-CG2 3.87Å; Y32-I153 HydrophobicContact CG-CD1 3.88Å; Y32-I153 HydrophobicContact CG-CG1 3.62Å; Y32-I153 HydrophobicContact CG-CG2 4.43Å
33E89.8Confident88.8Confident57 Ų5745.5 Ų45.527%0.26624%0.242SC..  trans-121.381.7-179.5-57.4-63.7143.500112.5G31 Y57 R287G31-E33 PolarHBondContact O-N 3.47Å; E33-Y57 VanDerWaalsContact CA-OH 3.22Å; E33-Y57 WeakPolarHBondContact CA-OH 3.49Å; E33-Y57 PolarHBondContact OE1-OH 3.32Å; E33-Y57 PolarHBondContact OE2-OH 3.33Å; E33-R287 IonicContact OE1-CZ 3.32Å; E33-R287 IonicContact OE1-NH1 3.04Å; E33-R287 IonicContact OE1-NH2 2.73Å; E33-R287 PolarHBondContact OE1-NH2 3.48Å; E33-R287 IonicContact OE2-CZ 3.17Å; E33-R287 VanDerWaalsContact OE2-CZ 3.31Å; E33-R287 IonicContact OE2-NH1 3.72Å; E33-R287 PolarHBondContact OE2-NH1 2.98Å; E33-R287 IonicContact OE2-NH2 3.48Å; E33-R287 PolarHBondContact OE2-NH2 3.31Å
34P86.6Confident88.3Confident42 Ų4253.8 Ų53.827%0.27328%0.278SS..  trans-78.4-22.1-175.430.7-33.8000114Y32 Y57Y32-P34 HydrophobicContact CD1-CG 4.09Å; Y32-P34 HydrophobicContact CE1-CB 3.88Å; Y32-P34 HydrophobicContact CE1-CG 3.51Å; Y32-P34 HydrophobicContact CE2-CB 4.32Å; P34-Y57 VanDerWaalsContact CD-CZ 3.49Å; P34-Y57 WeakPolarHBondContact CD-OH 3.48Å; P34-Y57 HydrophobicContact CG-CE1 4.33Å
35L88.4Confident87.6Confident45 Ų4555.8 Ų55.824%0.23630%0.299CS..SBendtrans-103.5134.8-175.7-65.9176.2000109.8P52 Y57 H60L35-P52 HydrophobicContact CB-CB 4.28Å; L35-P52 HydrophobicContact CB-CG 3.39Å; L35-P52 HydrophobicContact CD1-CB 4.02Å; L35-P52 HydrophobicContact CD1-CG 3.97Å; L35-P52 HydrophobicContact CG-CG 4.33Å; L35-Y57 HydrophobicContact CD1-CD2 4.31Å; L35-H60 HydrophobicContact CD1-CB 4.14Å
36P86.1Confident87Confident94 Ų9462 Ų6261%0.6132%0.321SS*.PPolyproline II helixtrans-65.8151.5179.728.7-34.9000110.9
37P86.2Confident86.4Confident13 Ų1368.2 Ų68.28%0.08435%0.35CS..PPolyproline II helixtrans-66152.3174.130.8-35.4000110.5C49 Q50 L51 V289 Y295 C297P37-C49 VanDerWaalsContact CB-SG 3.59Å; P37-Q50 CarbonylContact C-O 3.56Å; P37-Q50 VanDerWaalsContact CA-O 3.31Å; P37-Q50 WeakPolarHBondContact CA-O 3.11Å; P37-Q50 WeakPolarHBondContact CB-O 3.33Å; P37-L51 HydrophobicContact CB-CD2 4.2Å; P37-V289 HydrophobicContact CB-CG2 3.97Å; P37-Y295 HydrophobicContact CG-CD1 3.78Å; P37-Y295 HydrophobicContact CG-CG 3.9Å; P37-C297 HydrophobicContact CG-CB 4.46Å; P37-C297 PolarHBondContact O-SG 2.96Å
38T84.3Confident85.8Confident82 Ų8270.1 Ų70.150%0.50336%0.361SS..EExtended strand (participates in β ladder)trans-120153.2178.8580000110.4G40 Q50T38-G40 PolarHBondContact O-N 3.2Å; T38-Q50 PolarHBondContact N-O 3.23Å; T38-Q50 PolarHBondContact O-N 3.44Å
39I83.6Confident85.3Confident81 Ų8170.6 Ų70.642%0.41537%0.365SS..EExtended strand (participates in β ladder)trans-80.7111.4175.4-59.3175.2000107.4Q47I39-Q47 HydrophobicContact CG2-CB 4.47Å; I39-Q47 HydrophobicContact CG2-CG 4.39Å
40G81.4Confident84.9Confident17 Ų1772.6 Ų72.618%0.17537%0.374CS..EExtended strand (participates in β ladder)trans-112.4177.2176.600000112T38 Q47 V48T38-G40 PolarHBondContact O-N 3.2Å; G40-Q47 WeakPolarHBondContact O-CA 3.36Å; G40-V48 PolarHBondContact N-O 2.73Å; G40-V48 PolarHBondContact O-N 3.03Å
41R82Confident84.7Confident187 Ų18772.9 Ų72.971%0.70638%0.375SS*.EExtended strand (participates in β ladder)trans-108.6140.9167.6-66-174.2-178.2-163.5-0.6109.3R46R41-R46 CarbonylContact C-O 3.57Å; R41-R46 WeakPolarHBondContact CA-O 3.23Å
42N80.5Confident84.7Confident49 Ų4972.1 Ų72.126%0.26237%0.365SS..  trans-76.8175.5170.374.23.5000110.9F44 G45 R46 V48N42-F44 PolarHBondContact O-N 3.07Å; N42-F44 VanDerWaalsContact O-N 3.09Å; N42-F44 VanDerWaalsContact OD1-CA 3.24Å; N42-F44 WeakPolarHBondContact OD1-CA 3.48Å; N42-F44 WeakPolarHBondContact OD1-CB 3.12Å; N42-F44 PolarHBondContact OD1-N 3.49Å; N42-G45 PolarHBondContact O-N 3.25Å; N42-G45 PolarHBondContact OD1-N 2.86Å; N42-R46 PolarHBondContact N-O 3.33Å; N42-R46 PolarHBondContact OD1-N 3.07Å; N42-V48 HydrophobicContact CB-CG2 4.02Å
43I81.1Confident84.6Confident152 Ų15271.1 Ų71.178%0.77937%0.366SS*.THydrogen-bonded Turntrans-57.5-25.1176.9-58.7172.7000111.8
44F84.6Confident84.6Confident175 Ų17568.6 Ų68.677%0.76836%0.355SS*.THydrogen-bonded Turntrans-94.513.5177.6-58.3-80000113.6N42 R46N42-F44 PolarHBondContact O-N 3.07Å; N42-F44 VanDerWaalsContact O-N 3.09Å; N42-F44 VanDerWaalsContact OD1-CA 3.24Å; N42-F44 WeakPolarHBondContact OD1-CA 3.48Å; N42-F44 WeakPolarHBondContact OD1-CB 3.12Å; N42-F44 PolarHBondContact OD1-N 3.49Å; F44-R46 VanDerWaalsContact C-N 3.27Å; F44-R46 PolarHBondContact O-N 3.02Å
45G80.2Confident84.9Confident43 Ų4373.5 Ų73.544%0.44337%0.372SS..SBendtrans74.8-0.2177.500000116.7N42N42-G45 PolarHBondContact O-N 3.25Å; N42-G45 PolarHBondContact OD1-N 2.86Å
46R83.7Confident85.1Confident185 Ų18574.2 Ų74.270%0.69838%0.381SS*.  trans-74.6138.3177.4-57.3-174.5179.7179.8-1.3111R41 N42 F44 V48R41-R46 CarbonylContact C-O 3.57Å; R41-R46 WeakPolarHBondContact CA-O 3.23Å; N42-R46 PolarHBondContact N-O 3.33Å; N42-R46 PolarHBondContact OD1-N 3.07Å; F44-R46 VanDerWaalsContact C-N 3.27Å; F44-R46 PolarHBondContact O-N 3.02Å; R46-V48 PolarHBondContact O-N 3.33Å
47Q82.4Confident85.4Confident133 Ų13369.8 Ų69.862%0.62135%0.352SS*.EExtended strand (participates in β ladder)trans-66.1130.7172-77.5179.2-2300110.3I39 G40I39-Q47 HydrophobicContact CG2-CB 4.47Å; I39-Q47 HydrophobicContact CG2-CG 4.39Å; G40-Q47 WeakPolarHBondContact O-CA 3.36Å
48V81.8Confident85.8Confident40 Ų4069.9 Ų69.924%0.24235%0.354CS..EExtended strand (participates in β ladder)trans-142.9139.6177.8-74.30000109.1G40 N42 R46 Q50G40-V48 PolarHBondContact N-O 2.73Å; G40-V48 PolarHBondContact O-N 3.03Å; N42-V48 HydrophobicContact CB-CG2 4.02Å; R46-V48 PolarHBondContact O-N 3.33Å; V48-Q50 HydrophobicContact CB-CG 4.49Å; V48-Q50 HydrophobicContact CG2-CG 3.79Å; V48-Q50 PolarHBondContact O-N 2.57Å
49C83.3Confident86.3Confident11 Ų1172.8 Ų72.87%0.07436%0.362CS..EExtended strand (participates in β ladder)trans-72.7119.8169.6-159.40000108.9P37 V289 C297 M301P37-C49 VanDerWaalsContact CB-SG 3.59Å; C49-V289 HydrophobicContact CB-CG2 4.05Å; C49-C297 WeakPolarHBondContact SG-CB 3.39Å; C49-M301 HydrophobicContact CB-CE 3.99Å
50Q86.3Confident86.7Confident45 Ų4570.9 Ų70.921%0.2135%0.351CS..EExtended strand (participates in β ladder)trans-119.8139.9-175.9-67.8179.5-9.100110P37 T38 V48 R287P37-Q50 CarbonylContact C-O 3.56Å; P37-Q50 VanDerWaalsContact CA-O 3.31Å; P37-Q50 WeakPolarHBondContact CA-O 3.11Å; P37-Q50 WeakPolarHBondContact CB-O 3.33Å; T38-Q50 PolarHBondContact N-O 3.23Å; T38-Q50 PolarHBondContact O-N 3.44Å; V48-Q50 HydrophobicContact CB-CG 4.49Å; V48-Q50 HydrophobicContact CG2-CG 3.79Å; V48-Q50 PolarHBondContact O-N 2.57Å; Q50-R287 WeakPolarHBondContact CA-O 3.34Å
51L87.3Confident87.3Confident12 Ų1270.1 Ų70.16%0.06334%0.343CS..EExtended strand (participates in β ladder)trans-75.7150.4168.7-72.8166.7000109.2P37 G53 R287 V289P37-L51 HydrophobicContact CB-CD2 4.2Å; L51-G53 PolarHBondContact O-N 3.04Å; L51-R287 HydrophobicContact CB-CB 3.77Å; L51-R287 PolarHBondContact N-O 3.44Å; L51-V289 HydrophobicContact CG-CG2 4.15Å
52P87.6Confident87.9Confident12 Ų1262.2 Ų62.28%0.07832%0.317CS..PPolyproline II helixtrans-59.6135.9-178.710.3-13.8000110.8L35 Y57 R287L35-P52 HydrophobicContact CB-CB 4.28Å; L35-P52 HydrophobicContact CB-CG 3.39Å; L35-P52 HydrophobicContact CD1-CB 4.02Å; L35-P52 HydrophobicContact CD1-CG 3.97Å; L35-P52 HydrophobicContact CG-CG 4.33Å; P52-Y57 HydrophobicContact CB-CD2 4.26Å; P52-Y57 HydrophobicContact CG-CD2 4.17Å; P52-Y57 HydrophobicContact CG-CE2 4Å; P52-R287 PolarHBondContact O-NH1 3.35Å; P52-R287 VanDerWaalsContact O-NH1 3.1Å
53G88.8Confident88.6Confident18 Ų1864.1 Ų64.119%0.18633%0.334CS..PPolyproline II helixtrans-71.3173.1178.900000112.4L51 F55 S56 Y57 L284L51-G53 PolarHBondContact O-N 3.04Å; G53-F55 VanDerWaalsContact C-N 3.29Å; G53-F55 PolarHBondContact O-N 2.92Å; G53-S56 PolarHBondContact O-N 3.29Å; G53-Y57 PolarHBondContact O-N 2.54Å; G53-Y57 VanDerWaalsContact O-N 3.17Å; G53-L284 CarbonylContact C-O 3.56Å; G53-L284 WeakPolarHBondContact CA-O 3.46Å
54L91.8Very high89.2Confident4 Ų460 Ų602%0.02131%0.314CS..Hα-helixtrans-41.2-51.7177.8172.971.4000114L21 V24 Y57 A58 L284 F285L21-L54 HydrophobicContact CD2-CD1 3.75Å; L21-L54 HydrophobicContact CD2-CD2 3.18Å; L21-L54 HydrophobicContact CD2-CG 3.98Å; V24-L54 HydrophobicContact CB-CD1 3.74Å; V24-L54 HydrophobicContact CG1-CD1 3.8Å; V24-L54 HydrophobicContact CG2-CD1 4.05Å; L54-Y57 WeakPolarHBondContact O-CB 3.24Å; L54-Y57 PolarHBondContact O-N 3.37Å; L54-A58 WeakPolarHBondContact O-CB 3.33Å; L54-A58 PolarHBondContact O-N 2.9Å; L54-L284 HydrophobicContact CB-CB 4.17Å; L54-L284 HydrophobicContact CD1-CB 4.48Å; L54-L284 HydrophobicContact CD1-CD1 4.36Å; L54-L284 PolarHBondContact N-O 2.96Å; L54-F285 HydrophobicContact CB-CD1 4.32Å; L54-F285 HydrophobicContact CB-CE1 4.25Å; L54-F285 HydrophobicContact CD2-CD1 4.36Å; L54-F285 HydrophobicContact CD2-CE1 3.51Å; L54-F285 HydrophobicContact CD2-CE2 4.35Å; L54-F285 HydrophobicContact CD2-CZ 3.5Å; L54-F285 VanDerWaalsContact CD2-CZ 3.5Å
55F92.4Very high89.5Confident146 Ų14654.4 Ų54.464%0.6429%0.291SS*.Hα-helixtrans-69.3-40.9-171.7-63.4-65.6000112.4G53 Y57 A58 Q59 F285G53-F55 VanDerWaalsContact C-N 3.29Å; G53-F55 PolarHBondContact O-N 2.92Å; F55-Y57 VanDerWaalsContact C-N 3.28Å; F55-Y57 PolarHBondContact O-N 3.37Å; F55-A58 PolarHBondContact O-N 2.93Å; F55-Q59 VanDerWaalsContact O-CB 3.29Å; F55-Q59 WeakPolarHBondContact O-CB 3.32Å; F55-Q59 PolarHBondContact O-N 3.23Å; F55-F285 HydrophobicContact CD2-CE1 4.37Å; F55-F285 HydrophobicContact CE2-CD1 4.14Å; F55-F285 AromaticContact CE2-CE1 3.62Å; F55-F285 HydrophobicContact CE2-CE1 3.62Å; F55-F285 AromaticContact CZ-CE1 3.95Å; F55-F285 HydrophobicContact CZ-CE1 3.95Å
56S91.8Very high90.2Very high59 Ų5953.9 Ų53.941%0.41329%0.286SS..Hα-helixtrans-62.4-39.7175.3-55.20000111.1G53 H60G53-S56 PolarHBondContact O-N 3.29Å; S56-H60 WeakPolarHBondContact O-CB 3.22Å; S56-H60 PolarHBondContact O-N 3.24Å
57Y92.6Very high90.6Very high1 Ų155.2 Ų55.20%0.00429%0.291CS..Hα-helixtrans-64.1-48.4173.2-113.2-106000113V24 I28 Y32 E33 P34 L35 P52 G53 L54 F55 Q59 H60 I61 R287V24-Y57 HydrophobicContact CG1-CD1 3.95Å; V24-Y57 HydrophobicContact CG1-CG 4.02Å; I28-Y57 HydrophobicContact CG1-CE1 4.06Å; Y32-Y57 PolarHBondContact O-OH 2.79Å; E33-Y57 VanDerWaalsContact CA-OH 3.22Å; E33-Y57 WeakPolarHBondContact CA-OH 3.49Å; E33-Y57 PolarHBondContact OE1-OH 3.32Å; E33-Y57 PolarHBondContact OE2-OH 3.33Å; P34-Y57 VanDerWaalsContact CD-CZ 3.49Å; P34-Y57 WeakPolarHBondContact CD-OH 3.48Å; P34-Y57 HydrophobicContact CG-CE1 4.33Å; L35-Y57 HydrophobicContact CD1-CD2 4.31Å; P52-Y57 HydrophobicContact CB-CD2 4.26Å; P52-Y57 HydrophobicContact CG-CD2 4.17Å; P52-Y57 HydrophobicContact CG-CE2 4Å; G53-Y57 PolarHBondContact O-N 2.54Å; G53-Y57 VanDerWaalsContact O-N 3.17Å; L54-Y57 WeakPolarHBondContact O-CB 3.24Å; L54-Y57 PolarHBondContact O-N 3.37Å; F55-Y57 VanDerWaalsContact C-N 3.28Å; F55-Y57 PolarHBondContact O-N 3.37Å; Y57-Q59 VanDerWaalsContact C-N 3.29Å; Y57-Q59 PolarHBondContact O-N 2.91Å; Y57-H60 WeakPolarHBondContact O-CB 3.38Å; Y57-H60 PolarHBondContact O-N 2.91Å; Y57-H60 VanDerWaalsContact O-N 3.16Å; Y57-I61 WeakPolarHBondContact O-CG1 3.5Å; Y57-I61 PolarHBondContact O-N 2.93Å; Y57-R287 VanDerWaalsContact CE2-NH1 3.34Å
58A93.9Very high91Very high15 Ų1559.9 Ų59.912%0.12430%0.303CS..Hα-helixtrans-62.5-39.117900000111.3V24 L54 F55 I61 A62 L70V24-A58 HydrophobicContact CG2-CB 4.04Å; L54-A58 WeakPolarHBondContact O-CB 3.33Å; L54-A58 PolarHBondContact O-N 2.9Å; F55-A58 PolarHBondContact O-N 2.93Å; A58-I61 PolarHBondContact O-N 3.07Å; A58-A62 VanDerWaalsContact O-CB 3.29Å; A58-A62 WeakPolarHBondContact O-CB 3.46Å; A58-A62 PolarHBondContact O-N 2.87Å; A58-L70 HydrophobicContact CB-CD2 4.11Å
59Q94.6Very high91.3Very high143 Ų14358.3 Ų58.367%0.66830%0.295SS*.Hα-helixtrans-64.5-40.9174.4-175.1177.8100111.4F55 Y57 A62 S63F55-Q59 VanDerWaalsContact O-CB 3.29Å; F55-Q59 WeakPolarHBondContact O-CB 3.32Å; F55-Q59 PolarHBondContact O-N 3.23Å; Y57-Q59 VanDerWaalsContact C-N 3.29Å; Y57-Q59 PolarHBondContact O-N 2.91Å; Q59-A62 PolarHBondContact O-N 3.19Å; Q59-S63 WeakPolarHBondContact O-CB 3.4Å; Q59-S63 PolarHBondContact O-N 3.32Å
60H93.7Very high91.8Very high41 Ų4158.9 Ų58.919%0.1930%0.297CS..Hα-helixtrans-60.8-47.8174.7177.472.8000111.7L35 S56 Y57 A62 S63 I64L35-H60 HydrophobicContact CD1-CB 4.14Å; S56-H60 WeakPolarHBondContact O-CB 3.22Å; S56-H60 PolarHBondContact O-N 3.24Å; Y57-H60 WeakPolarHBondContact O-CB 3.38Å; Y57-H60 PolarHBondContact O-N 2.91Å; Y57-H60 VanDerWaalsContact O-N 3.16Å; H60-A62 VanDerWaalsContact C-N 3.35Å; H60-A62 PolarHBondContact O-N 3.41Å; H60-S63 PolarHBondContact O-N 2.7Å; H60-S63 PolarHBondContact O-OG 3.13Å; H60-I64 WeakPolarHBondContact CE1-CD1 3.44Å; H60-I64 WeakPolarHBondContact NE2-CD1 3.39Å; H60-I64 WeakPolarHBondContact O-CG1 3.24Å; H60-I64 PolarHBondContact O-N 3.36Å
61I93.6Very high92.2Very high1 Ų160.8 Ų60.81%0.00531%0.305CS..Hα-helixtrans-58.4-48.1174.6-62.8165.2000110.6Y23 V24 L27 Y57 A58 S63 I64 D65 L70 F152Y23-I61 HydrophobicContact CD1-CD1 4.44Å; Y23-I61 HydrophobicContact CD1-CG2 4.35Å; Y23-I61 HydrophobicContact CE1-CD1 4.41Å; Y23-I61 HydrophobicContact CE1-CG2 3.67Å; V24-I61 HydrophobicContact CG2-CD1 3.8Å; L27-I61 HydrophobicContact CD1-CD1 3.78Å; L27-I61 HydrophobicContact CD1-CG1 4.28Å; Y57-I61 WeakPolarHBondContact O-CG1 3.5Å; Y57-I61 PolarHBondContact O-N 2.93Å; A58-I61 PolarHBondContact O-N 3.07Å; I61-S63 PolarHBondContact O-N 3.32Å; I61-I64 PolarHBondContact O-N 3.44Å; I61-I64 VanDerWaalsContact O-N 3.09Å; I61-D65 PolarHBondContact O-N 3.4Å; I61-L70 HydrophobicContact CB-CD2 4.02Å; I61-L70 HydrophobicContact CD1-CD2 4.38Å; I61-L70 HydrophobicContact CG2-CD2 3.89Å; I61-L70 HydrophobicContact CG2-CG 4.47Å; I61-F152 HydrophobicContact CB-CZ 4.3Å; I61-F152 HydrophobicContact CG1-CE1 4.03Å; I61-F152 HydrophobicContact CG1-CZ 4.03Å; I61-F152 HydrophobicContact CG2-CE2 4.21Å; I61-F152 HydrophobicContact CG2-CZ 4.37Å
62A95.1Very high92.5Very high21 Ų2162 Ų6217%0.17431%0.313CS..Hα-helixtrans-65.5-26.6-179.900000113.3A58 Q59 H60 I64 G66 L70A58-A62 VanDerWaalsContact O-CB 3.29Å; A58-A62 WeakPolarHBondContact O-CB 3.46Å; A58-A62 PolarHBondContact O-N 2.87Å; Q59-A62 PolarHBondContact O-N 3.19Å; H60-A62 VanDerWaalsContact C-N 3.35Å; H60-A62 PolarHBondContact O-N 3.41Å; A62-I64 VanDerWaalsContact C-N 3.33Å; A62-G66 CarbonylContact O-C 3.27Å; A62-G66 VanDerWaalsContact O-C 3.27Å; A62-G66 WeakPolarHBondContact O-CA 3.37Å; A62-G66 PolarHBondContact O-N 3.24Å; A62-L70 HydrophobicContact CB-CD1 4.06Å; A62-L70 HydrophobicContact CB-CG 4.37Å
63S95Very high92.7Very high89 Ų8961.9 Ų61.962%0.62231%0.314SS*.Hα-helixtrans-73.5-27.1174.873.10000112.6Q59 H60 I61Q59-S63 WeakPolarHBondContact O-CB 3.4Å; Q59-S63 PolarHBondContact O-N 3.32Å; H60-S63 PolarHBondContact O-N 2.7Å; H60-S63 PolarHBondContact O-OG 3.13Å; I61-S63 PolarHBondContact O-N 3.32Å
64I93.1Very high93Very high67 Ų6762.4 Ų62.434%0.34431%0.312SS..Hα-helixtrans-92.3-50.5-177-67.9173.2000111.4H60 I61 A62 F152 R155H60-I64 WeakPolarHBondContact CE1-CD1 3.44Å; H60-I64 WeakPolarHBondContact NE2-CD1 3.39Å; H60-I64 WeakPolarHBondContact O-CG1 3.24Å; H60-I64 PolarHBondContact O-N 3.36Å; I61-I64 PolarHBondContact O-N 3.44Å; I61-I64 VanDerWaalsContact O-N 3.09Å; A62-I64 VanDerWaalsContact C-N 3.33Å; I64-F152 HydrophobicContact CB-CE2 4.07Å; I64-F152 HydrophobicContact CB-CZ 4.1Å; I64-F152 HydrophobicContact CD1-CZ 3.86Å; I64-F152 HydrophobicContact CG2-CE2 3.81Å; I64-F152 HydrophobicContact CG2-CZ 4.13Å; I64-R155 VanDerWaalsContact CG2-NH2 3.35Å
65D91.7Very high93.1Very high56 Ų5666.5 Ų66.530%0.29934%0.337SS..Hα-helixtrans-1046.1-176.6-74.3-14.4000113.8I61 F152 R155I61-D65 PolarHBondContact O-N 3.4Å; D65-F152 WeakPolarHBondContact OD2-CD2 3.48Å; D65-F152 WeakPolarHBondContact OD2-CE2 3.34Å; D65-R155 IonicContact OD1-CZ 3.79Å; D65-R155 IonicContact OD1-NH1 3.55Å; D65-R155 PolarHBondContact OD1-NH1 3.32Å; D65-R155 IonicContact OD1-NH2 3.35Å; D65-R155 PolarHBondContact OD1-NH2 3.07Å; D65-R155 IonicContact OD2-NH1 3.04Å; D65-R155 PolarHBondContact OD2-NH1 3.42Å
66G93.4Very high93.3Very high32 Ų3259.8 Ų59.833%0.3331%0.309SS..Hα-helixtrans71.6172.5-170.600000112.6A62 R68 G69A62-G66 CarbonylContact O-C 3.27Å; A62-G66 VanDerWaalsContact O-C 3.27Å; A62-G66 WeakPolarHBondContact O-CA 3.37Å; A62-G66 PolarHBondContact O-N 3.24Å; G66-R68 PolarHBondContact O-N 3.42Å; G66-G69 PolarHBondContact O-N 2.66Å
67R91.8Very high93.4Very high213 Ų21359.6 Ų59.680%0.80430%0.299SS*.Hα-helixtrans-62.8-25.4-179.3-63.8177.968.8179.11.9113.5G69R67-G69 VanDerWaalsContact C-N 3.34Å
68R90.8Very high93.6Very high231 Ų23161.7 Ų61.787%0.87231%0.31SS*.Hα-helixtrans-72.1-28.6175.7-68-177.1179.5175.70.1112G66 L70 F71G66-R68 PolarHBondContact O-N 3.42Å; R68-L70 PolarHBondContact O-N 2.93Å; R68-F71 PolarHBondContact O-N 2.91Å
69G89.3Confident93.6Very high7 Ų763 Ų637%0.07232%0.317CS..Hα-helixtrans-60-28.9176.100000113.6Y23 G66 R67 F71 T72Y23-G69 VanDerWaalsContact CE1-O 3.22Å; Y23-G69 WeakPolarHBondContact CE1-O 3.44Å; G66-G69 PolarHBondContact O-N 2.66Å; R67-G69 VanDerWaalsContact C-N 3.34Å; G69-F71 PolarHBondContact O-N 3.49Å; G69-T72 WeakPolarHBondContact O-CB 3.44Å; G69-T72 PolarHBondContact O-N 3.42Å; G69-T72 PolarHBondContact O-OG1 3.39Å
70L93.3Very high93.6Very high23 Ų2357.2 Ų57.212%0.1229%0.293CS..THydrogen-bonded Turntrans-62.2-15.2175-73.9172000113.9P20 A58 I61 A62 R68P20-L70 HydrophobicContact CB-CB 4.31Å; P20-L70 HydrophobicContact CB-CD1 4.5Å; P20-L70 HydrophobicContact CB-CD2 4.31Å; P20-L70 HydrophobicContact CG-CB 4.27Å; A58-L70 HydrophobicContact CB-CD2 4.11Å; I61-L70 HydrophobicContact CB-CD2 4.02Å; I61-L70 HydrophobicContact CD1-CD2 4.38Å; I61-L70 HydrophobicContact CG2-CD2 3.89Å; I61-L70 HydrophobicContact CG2-CG 4.47Å; A62-L70 HydrophobicContact CB-CD1 4.06Å; A62-L70 HydrophobicContact CB-CG 4.37Å; R68-L70 PolarHBondContact O-N 2.93Å
71F94.6Very high93.6Very high85 Ų8556.9 Ų56.937%0.37330%0.301SS..THydrogen-bonded Turntrans-103.412.3178.1-60.4-84.9000113.1I16 Q19 P20 R68 G69 G73 L74I16-F71 HydrophobicContact CG2-CE1 4.14Å; Q19-F71 HydrophobicContact CB-CD1 4.1Å; Q19-F71 HydrophobicContact CG-CD1 4.21Å; P20-F71 HydrophobicContact CG-CE1 4.39Å; P20-F71 HydrophobicContact CG-CZ 4.37Å; R68-F71 PolarHBondContact O-N 2.91Å; G69-F71 PolarHBondContact O-N 3.49Å; F71-G73 PolarHBondContact O-N 2.95Å; F71-L74 HydrophobicContact CB-CB 4.42Å; F71-L74 HydrophobicContact CB-CD2 4.3Å; F71-L74 HydrophobicContact CD1-CD2 4.11Å; F71-L74 WeakPolarHBondContact O-CB 3.49Å; F71-L74 PolarHBondContact O-N 2.94Å
72T92.9Very high93.6Very high37 Ų3759.5 Ų59.523%0.22732%0.317CS..THydrogen-bonded Turntrans-56.8136.4171.5-63.10000110.6Q19 G69 L74 S148Q19-T72 PolarHBondContact NE2-O 3.37Å; G69-T72 WeakPolarHBondContact O-CB 3.44Å; G69-T72 PolarHBondContact O-N 3.42Å; G69-T72 PolarHBondContact O-OG1 3.39Å; T72-L74 VanDerWaalsContact C-N 3.28Å; T72-L74 PolarHBondContact O-N 3.22Å; T72-S148 WeakPolarHBondContact CG2-O 3.22Å
73G92.8Very high93.5Very high10 Ų1061.7 Ų61.710%0.10333%0.325CS..THydrogen-bonded Turntrans75.37.7-175.100000114.9F71 P76 R77 T145F71-G73 PolarHBondContact O-N 2.95Å; G73-P76 WeakPolarHBondContact O-CD 3.41Å; G73-P76 VanDerWaalsContact O-CG 3.31Å; G73-P76 WeakPolarHBondContact O-CG 2.94Å; G73-R77 WeakPolarHBondContact O-CB 3.44Å; G73-R77 PolarHBondContact O-N 3.33Å; G73-T145 WeakPolarHBondContact O-CG2 3.34Å
74L94.9Very high93.5Very high30 Ų3058.1 Ų58.116%0.15730%0.302CS..Hα-helixtrans-66-43.7179.3178.564.4000112.4T15 I16 Q19 F71 T72 R77 L78T15-L74 HydrophobicContact CG2-CD1 4.19Å; I16-L74 HydrophobicContact CG1-CD1 4.04Å; I16-L74 HydrophobicContact CG1-CD2 4.18Å; Q19-L74 HydrophobicContact CB-CD1 4.19Å; Q19-L74 HydrophobicContact CG-CB 4.27Å; Q19-L74 HydrophobicContact CG-CD1 4.15Å; F71-L74 HydrophobicContact CB-CB 4.42Å; F71-L74 HydrophobicContact CB-CD2 4.3Å; F71-L74 HydrophobicContact CD1-CD2 4.11Å; F71-L74 WeakPolarHBondContact O-CB 3.49Å; F71-L74 PolarHBondContact O-N 2.94Å; T72-L74 VanDerWaalsContact C-N 3.28Å; T72-L74 PolarHBondContact O-N 3.22Å; L74-R77 WeakPolarHBondContact O-CB 3.45Å; L74-R77 PolarHBondContact O-N 3.16Å; L74-L78 HydrophobicContact CD1-CD1 4.16Å; L74-L78 HydrophobicContact CD1-CD2 4.41Å; L74-L78 HydrophobicContact CD1-CG 4Å; L74-L78 HydrophobicContact CD2-CD1 4.38Å; L74-L78 HydrophobicContact CG-CD1 3.9Å; L74-L78 HydrophobicContact CG-CG 4.17Å; L74-L78 WeakPolarHBondContact O-CG 3.43Å; L74-L78 PolarHBondContact O-N 2.98Å
75T94.3Very high93.5Very high89 Ų8957.2 Ų57.255%0.54630%0.3SS..Hα-helixtrans-55.6-56.4-178.9-52.30000113.3R77 L78 C79 L162T75-R77 PolarHBondContact O-N 3.33Å; T75-L78 PolarHBondContact O-N 3.04Å; T75-C79 PolarHBondContact O-N 3.38Å; T75-C79 PolarHBondContact O-SG 3.04Å; T75-C79 VanDerWaalsContact O-SG 3.38Å; T75-L162 HydrophobicContact CG2-CB 4.49Å
76P95.3Very high93.6Very high6 Ų658.3 Ų58.34%0.03931%0.309CS..Hα-helixtrans-58.6-36.9176.620.7-32000112.1G73 C79 S80 I144 T145 L162G73-P76 WeakPolarHBondContact O-CD 3.41Å; G73-P76 VanDerWaalsContact O-CG 3.31Å; G73-P76 WeakPolarHBondContact O-CG 2.94Å; P76-C79 PolarHBondContact O-N 3.47Å; P76-S80 WeakPolarHBondContact O-CB 3.25Å; P76-S80 PolarHBondContact O-N 2.98Å; P76-I144 HydrophobicContact CB-CB 4.22Å; P76-I144 HydrophobicContact CB-CG2 3.94Å; P76-I144 HydrophobicContact CG-CG2 3.99Å; P76-T145 WeakPolarHBondContact CB-OG1 3.2Å; P76-T145 WeakPolarHBondContact CG-OG1 3.13Å; P76-L162 HydrophobicContact CB-CD1 3.91Å
77R95.3Very high93.6Very high55 Ų5558 Ų5821%0.20830%0.3CS..Hα-helixtrans-66.3-38.7178.5-164.6179176.4-157.1-9.1113T15 S18 G73 L74 T75 S80 G81 T145T15-R77 HydrophobicContact CG2-CB 4.33Å; T15-R77 HydrophobicContact CG2-CG 3.74Å; S18-R77 PolarHBondContact OG-NH2 2.95Å; G73-R77 WeakPolarHBondContact O-CB 3.44Å; G73-R77 PolarHBondContact O-N 3.33Å; L74-R77 WeakPolarHBondContact O-CB 3.45Å; L74-R77 PolarHBondContact O-N 3.16Å; T75-R77 PolarHBondContact O-N 3.33Å; R77-S80 WeakPolarHBondContact O-CB 3.39Å; R77-S80 PolarHBondContact O-N 3.23Å; R77-G81 PolarHBondContact O-N 3.32Å; R77-T145 HydrophobicContact CB-CG2 4.08Å; R77-T145 PolarHBondContact N-OG1 2.94Å
78L96.1Very high93.7Very high44 Ų4450 Ų5023%0.2327%0.272CS..Hα-helixtrans-66.5-45.2174.2-71.7175.5000111.2T15 I16 L74 T75 S80 G81 V82T15-L78 HydrophobicContact CG2-CD2 3.93Å; I16-L78 HydrophobicContact CG1-CD2 4.33Å; L74-L78 HydrophobicContact CD1-CD1 4.16Å; L74-L78 HydrophobicContact CD1-CD2 4.41Å; L74-L78 HydrophobicContact CD1-CG 4Å; L74-L78 HydrophobicContact CD2-CD1 4.38Å; L74-L78 HydrophobicContact CG-CD1 3.9Å; L74-L78 HydrophobicContact CG-CG 4.17Å; L74-L78 WeakPolarHBondContact O-CG 3.43Å; L74-L78 PolarHBondContact O-N 2.98Å; T75-L78 PolarHBondContact O-N 3.04Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 2.91Å; L78-G81 PolarHBondContact O-N 3.37Å; L78-G81 VanDerWaalsContact O-N 3.13Å; L78-V82 WeakPolarHBondContact O-CG2 3.39Å; L78-V82 PolarHBondContact O-N 3.46Å
79C94.9Very high93.8Very high42 Ų4240.7 Ų40.728%0.28425%0.247SC..Hα-helixtrans-57.5-44.9174.2-65.20000111.5T75 P76 G81 V82 L83 F141T75-C79 PolarHBondContact O-N 3.38Å; T75-C79 PolarHBondContact O-SG 3.04Å; T75-C79 VanDerWaalsContact O-SG 3.38Å; P76-C79 PolarHBondContact O-N 3.47Å; C79-G81 VanDerWaalsContact C-N 3.34Å; C79-G81 PolarHBondContact O-N 3.29Å; C79-V82 PolarHBondContact O-N 3.5Å; C79-L83 WeakPolarHBondContact O-CB 3.37Å; C79-L83 WeakPolarHBondContact O-CG 3.37Å; C79-L83 PolarHBondContact O-N 3.03Å; C79-F141 HydrophobicContact CB-CD1 3.87Å; C79-F141 HydrophobicContact CB-CE1 3.89Å
80S94.5Very high94Very high22 Ų2246.9 Ų46.915%0.15427%0.272CS..Hα-helixtrans-56.5-45.2174-176.10000112.1P76 R77 L78 G84 T138P76-S80 WeakPolarHBondContact O-CB 3.25Å; P76-S80 PolarHBondContact O-N 2.98Å; R77-S80 WeakPolarHBondContact O-CB 3.39Å; R77-S80 PolarHBondContact O-N 3.23Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 2.91Å; S80-G84 PolarHBondContact O-N 3.28Å; S80-T138 WeakPolarHBondContact O-CG2 3.41Å; S80-T138 WeakPolarHBondContact OG-CB 3.39Å
81G93.1Very high94Very high34 Ų3447.3 Ų47.335%0.35128%0.276SS..Hα-helixtrans-65.5-44.6-179.900000112.8R77 L78 C79 T85R77-G81 PolarHBondContact O-N 3.32Å; L78-G81 PolarHBondContact O-N 3.37Å; L78-G81 VanDerWaalsContact O-N 3.13Å; C79-G81 VanDerWaalsContact C-N 3.34Å; C79-G81 PolarHBondContact O-N 3.29Å; G81-T85 PolarHBondContact O-N 3.43Å; G81-T85 VanDerWaalsContact O-N 3.09Å; G81-T85 PolarHBondContact O-OG1 2.68Å; G81-T85 VanDerWaalsContact O-OG1 3.06Å
82V93.4Very high93.8Very high57 Ų5745.5 Ų45.535%0.34527%0.27SS..Hα-helixtrans-63.2-51.6177.9176.90000110.8V8 L78 C79 G84 T85 V86V8-V82 HydrophobicContact CG1-CG2 3.85Å; L78-V82 WeakPolarHBondContact O-CG2 3.39Å; L78-V82 PolarHBondContact O-N 3.46Å; C79-V82 PolarHBondContact O-N 3.5Å; V82-G84 VanDerWaalsContact C-N 3.33Å; V82-G84 PolarHBondContact O-N 3.5Å; V82-T85 PolarHBondContact O-N 3.03Å; V82-V86 VanDerWaalsContact O-CG2 3.29Å; V82-V86 WeakPolarHBondContact O-CG2 3.36Å; V82-V86 PolarHBondContact O-N 3.12Å
83L94.1Very high93.7Very high66 Ų6647.9 Ų47.935%0.34628%0.278SS..Hα-helixtrans-63.2-40.8-179.8-70174.8000111.6C79 V86 V87 T138 F141C79-L83 WeakPolarHBondContact O-CB 3.37Å; C79-L83 WeakPolarHBondContact O-CG 3.37Å; C79-L83 PolarHBondContact O-N 3.03Å; L83-V86 PolarHBondContact O-N 2.86Å; L83-V87 WeakPolarHBondContact O-CB 3.46Å; L83-V87 VanDerWaalsContact O-CG2 3.23Å; L83-V87 WeakPolarHBondContact O-CG2 3.47Å; L83-V87 PolarHBondContact O-N 3.15Å; L83-T138 HydrophobicContact CB-CG2 4.25Å; L83-F141 HydrophobicContact CD1-CD2 4.19Å; L83-F141 HydrophobicContact CD1-CE2 3.4Å; L83-F141 HydrophobicContact CD1-CZ 3.65Å
84G94.1Very high93.6Very high14 Ų1453 Ų5314%0.14430%0.299CS..Hα-helixtrans-58.7-48.8177.200000112.4S80 V82 H88S80-G84 PolarHBondContact O-N 3.28Å; V82-G84 VanDerWaalsContact C-N 3.33Å; V82-G84 PolarHBondContact O-N 3.5Å; G84-H88 WeakPolarHBondContact O-CB 3.42Å; G84-H88 PolarHBondContact O-N 2.77Å
85T92.8Very high93.3Very high49 Ų4955.1 Ų55.130%0.30131%0.306SS..Hα-helixtrans-63.9-42.4178.2-59.10000112V8 G81 V82 G89V8-T85 HydrophobicContact CG2-CG2 4.02Å; G81-T85 PolarHBondContact O-N 3.43Å; G81-T85 VanDerWaalsContact O-N 3.09Å; G81-T85 PolarHBondContact O-OG1 2.68Å; G81-T85 VanDerWaalsContact O-OG1 3.06Å; V82-T85 PolarHBondContact O-N 3.03Å; T85-G89 PolarHBondContact O-N 3.02Å
86V93.3Very high92.9Very high79 Ų7955.8 Ų55.848%0.47930%0.303SS..Hα-helixtrans-65.1-47.2179.51720000111V82 L83 K90V82-V86 VanDerWaalsContact O-CG2 3.29Å; V82-V86 WeakPolarHBondContact O-CG2 3.36Å; V82-V86 PolarHBondContact O-N 3.12Å; L83-V86 PolarHBondContact O-N 2.86Å; V86-K90 WeakPolarHBondContact O-CB 3.4Å; V86-K90 VanDerWaalsContact O-CG 3.26Å; V86-K90 WeakPolarHBondContact O-CG 3.44Å; V86-K90 PolarHBondContact O-N 3.37Å
87V94.7Very high92.4Very high24 Ų2460.7 Ų60.715%0.14533%0.325CS..Hα-helixtrans-64.7-49.4179.2170.30000110.6L83 G89 K90 V91 A133 A134 I137L83-V87 WeakPolarHBondContact O-CB 3.46Å; L83-V87 VanDerWaalsContact O-CG2 3.23Å; L83-V87 WeakPolarHBondContact O-CG2 3.47Å; L83-V87 PolarHBondContact O-N 3.15Å; V87-G89 VanDerWaalsContact C-N 3.34Å; V87-G89 PolarHBondContact O-N 3.4Å; V87-K90 PolarHBondContact O-N 2.68Å; V87-V91 HydrophobicContact CG1-CG2 4.25Å; V87-V91 WeakPolarHBondContact O-CG2 3.33Å; V87-V91 PolarHBondContact O-N 3.31Å; V87-A133 HydrophobicContact CG1-CB 4.32Å; V87-A134 HydrophobicContact CB-CB 4.45Å; V87-A134 HydrophobicContact CG1-CB 4.21Å; V87-I137 HydrophobicContact CB-CD1 4.41Å; V87-I137 HydrophobicContact CG1-CD1 3.84Å; V87-I137 HydrophobicContact CG2-CB 4.42Å; V87-I137 HydrophobicContact CG2-CD1 3.65Å; V87-I137 HydrophobicContact CG2-CG2 4.15Å
88H94.1Very high91.7Very high47 Ų4760.8 Ų60.822%0.21833%0.334CS..Hα-helixtrans-56.4-48.9179.3176-86.6000111.2G84 K90 V91 L92 E127 A134G84-H88 WeakPolarHBondContact O-CB 3.42Å; G84-H88 PolarHBondContact O-N 2.77Å; H88-K90 PolarHBondContact O-N 3.23Å; H88-V91 PolarHBondContact O-N 2.92Å; H88-L92 WeakPolarHBondContact O-CB 3.5Å; H88-L92 PolarHBondContact O-N 3.09Å; H88-E127 IonicContact CE1-OE1 2.74Å; H88-E127 IonicContact CE1-OE2 2.61Å; H88-E127 IonicContact NE2-OE1 2.74Å; H88-E127 PolarHBondContact NE2-OE1 3.5Å; H88-E127 IonicContact NE2-OE2 3.77Å; H88-E127 PolarHBondContact NE2-OE2 2.99Å; H88-E127 VanDerWaalsContact NE2-OE2 3.17Å; H88-A134 HydrophobicContact CB-CB 4.18Å
89G92Very high90.7Very high34 Ų3460.1 Ų60.135%0.35133%0.331SS..Hα-helixtrans-61.7-41.2177.900000113.2T85 V87 Q93T85-G89 PolarHBondContact O-N 3.02Å; V87-G89 VanDerWaalsContact C-N 3.34Å; V87-G89 PolarHBondContact O-N 3.4Å; G89-Q93 VanDerWaalsContact O-CB 3.28Å; G89-Q93 WeakPolarHBondContact O-CB 3.46Å; G89-Q93 PolarHBondContact O-N 2.72Å
90K92.9Very high89.6Confident137 Ų13765.4 Ų65.460%0.59635%0.349SS*.Hα-helixtrans-65.4-43.3177.3-77.9-72.3-175.6-178.90112.7V86 V87 H88 H94V86-K90 WeakPolarHBondContact O-CB 3.4Å; V86-K90 VanDerWaalsContact O-CG 3.26Å; V86-K90 WeakPolarHBondContact O-CG 3.44Å; V86-K90 PolarHBondContact O-N 3.37Å; V87-K90 PolarHBondContact O-N 2.68Å; H88-K90 PolarHBondContact O-N 3.23Å; K90-H94 PolarHBondContact O-N 3.18Å; K90-H94 VanDerWaalsContact O-N 3.08Å
91V94.4Very high88.1Confident33 Ų3367.1 Ų67.120%0.237%0.37CS..Hα-helixtrans-66.3-44.7178.8175.80000110.3V87 H88 Q93 H94 Y95 I129 A130 A133V87-V91 HydrophobicContact CG1-CG2 4.25Å; V87-V91 WeakPolarHBondContact O-CG2 3.33Å; V87-V91 PolarHBondContact O-N 3.31Å; H88-V91 PolarHBondContact O-N 2.92Å; V91-Q93 PolarHBondContact O-N 3.1Å; V91-H94 WeakPolarHBondContact O-CB 3.25Å; V91-H94 PolarHBondContact O-N 3.24Å; V91-Y95 HydrophobicContact CG1-CD2 4Å; V91-Y95 HydrophobicContact CG1-CE2 3.89Å; V91-Y95 WeakPolarHBondContact O-CD2 3.47Å; V91-Y95 PolarHBondContact O-N 3.16Å; V91-I129 HydrophobicContact CG1-CG2 4.34Å; V91-A130 HydrophobicContact CB-CB 4.13Å; V91-A130 HydrophobicContact CG1-CB 3.9Å; V91-A133 HydrophobicContact CG2-CB 4.06Å
92L90.9Very high86.7Confident47 Ų4772.4 Ų72.425%0.24639%0.386CS..Hα-helixtrans-64.1-41.8178.6-172.863.1000111.9H88 H94 Y95 Q96H88-L92 WeakPolarHBondContact O-CB 3.5Å; H88-L92 PolarHBondContact O-N 3.09Å; L92-H94 VanDerWaalsContact C-N 3.32Å; L92-H94 PolarHBondContact O-N 3.23Å; L92-Y95 PolarHBondContact O-N 2.97Å; L92-Q96 WeakPolarHBondContact O-CG 3.32Å; L92-Q96 PolarHBondContact O-N 3.33Å
93Q90.3Very high85Confident87 Ų8777 Ų7741%0.40740%0.404SS..Hα-helixtrans-58.5-44.2175.3-177.2-178.8-6.500111.5G89 V91 Y95 Q96 E97G89-Q93 VanDerWaalsContact O-CB 3.28Å; G89-Q93 WeakPolarHBondContact O-CB 3.46Å; G89-Q93 PolarHBondContact O-N 2.72Å; V91-Q93 PolarHBondContact O-N 3.1Å; Q93-Y95 VanDerWaalsContact C-N 3.32Å; Q93-Y95 PolarHBondContact O-N 3.41Å; Q93-Q96 PolarHBondContact O-N 2.67Å; Q93-Q96 VanDerWaalsContact O-N 3.16Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.35Å; Q93-E97 PolarHBondContact NE2-OE1 3.42Å; Q93-E97 WeakPolarHBondContact O-CG 3.14Å; Q93-E97 PolarHBondContact O-N 3.18Å
94H91.2Very high83.1Confident117 Ų11781.7 Ų81.754%0.54243%0.428SS..Hα-helixtrans-60.5-40.2178.7-17566.2000112.7K90 V91 L92 S98K90-H94 PolarHBondContact O-N 3.18Å; K90-H94 VanDerWaalsContact O-N 3.08Å; V91-H94 WeakPolarHBondContact O-CB 3.25Å; V91-H94 PolarHBondContact O-N 3.24Å; L92-H94 VanDerWaalsContact C-N 3.32Å; L92-H94 PolarHBondContact O-N 3.23Å; H94-S98 PolarHBondContact O-N 3.17Å; H94-S98 VanDerWaalsContact O-N 3.11Å; H94-S98 PolarHBondContact O-OG 3.33Å
95Y87.3Confident80.8Confident74 Ų7483.2 Ų83.229%0.2944%0.444SS..Hα-helixtrans-68.7-37174.5-84.1-73.5000113.1V91 L92 Q93 S98 D99 R126 I129V91-Y95 HydrophobicContact CG1-CD2 4Å; V91-Y95 HydrophobicContact CG1-CE2 3.89Å; V91-Y95 WeakPolarHBondContact O-CD2 3.47Å; V91-Y95 PolarHBondContact O-N 3.16Å; L92-Y95 PolarHBondContact O-N 2.97Å; Q93-Y95 VanDerWaalsContact C-N 3.32Å; Q93-Y95 PolarHBondContact O-N 3.41Å; Y95-S98 PolarHBondContact O-N 2.95Å; Y95-D99 PolarHBondContact O-N 3.44Å; Y95-D99 VanDerWaalsContact O-N 3.08Å; Y95-R126 HydrophobicContact CD1-CG 4.15Å; Y95-R126 HydrophobicContact CG-CG 4.15Å; Y95-I129 HydrophobicContact CE2-CB 4.28Å; Y95-I129 HydrophobicContact CE2-CD1 4.43Å; Y95-I129 HydrophobicContact CE2-CG2 3.83Å; Y95-I129 WeakPolarHBondContact OH-CD1 3.41Å
96Q85.9Confident78.9Confident104 Ų10487.6 Ų87.649%0.48647%0.473SS..Hα-helixtrans-66.2-38.4176.6-72.5174.8-13.300112.2L92 Q93 K100L92-Q96 WeakPolarHBondContact O-CG 3.32Å; L92-Q96 PolarHBondContact O-N 3.33Å; Q93-Q96 PolarHBondContact O-N 2.67Å; Q93-Q96 VanDerWaalsContact O-N 3.16Å; Q96-K100 WeakPolarHBondContact O-CG 3.45Å; Q96-K100 PolarHBondContact O-N 3.33Å
97E85.7Confident76.7Confident108 Ų10887 Ų8751%0.50548%0.483SS..Hα-helixtrans-68.2-39.9176.3-72.5170.9-17600111.6Q93 D99 K100 G101Q93-E97 WeakPolarHBondContact CG-OE1 3.35Å; Q93-E97 PolarHBondContact NE2-OE1 3.42Å; Q93-E97 WeakPolarHBondContact O-CG 3.14Å; Q93-E97 PolarHBondContact O-N 3.18Å; E97-D99 PolarHBondContact O-N 2.93Å; E97-K100 PolarHBondContact O-N 3.25Å; E97-G101 PolarHBondContact O-N 2.82Å
98S79.9Confident74.2Confident58 Ų5893.9 Ų93.941%0.40652%0.519SS..Hα-helixtrans-64.8-38.5176.8-56.90000112.3H94 Y95 G101 E102H94-S98 PolarHBondContact O-N 3.17Å; H94-S98 VanDerWaalsContact O-N 3.11Å; H94-S98 PolarHBondContact O-OG 3.33Å; Y95-S98 PolarHBondContact O-N 2.95Å; S98-G101 PolarHBondContact O-N 3.43Å; S98-E102 PolarHBondContact O-N 3.32Å
99D76Confident72.2Confident29 Ų2998.2 Ų98.216%0.15555%0.549CS..Hα-helixtrans-65.7-40.6179.3-152.539.4000112.8Y95 E97 G101 E102 E103 K122 R126Y95-D99 PolarHBondContact O-N 3.44Å; Y95-D99 VanDerWaalsContact O-N 3.08Å; E97-D99 PolarHBondContact O-N 2.93Å; D99-G101 PolarHBondContact O-N 3.09Å; D99-E102 PolarHBondContact O-N 3.25Å; D99-E102 VanDerWaalsContact O-N 3.15Å; D99-E103 PolarHBondContact O-N 3.04Å; D99-K122 IonicContact OD1-NZ 3.42Å; D99-K122 PolarHBondContact OD1-NZ 3.27Å; D99-K122 IonicContact OD2-NZ 3.34Å; D99-R126 IonicContact OD1-CZ 3.4Å; D99-R126 IonicContact OD1-NH1 3.36Å; D99-R126 IonicContact OD1-NH2 3.18Å; D99-R126 PolarHBondContact OD1-NH2 3.48Å; D99-R126 IonicContact OD2-CZ 2.66Å; D99-R126 VanDerWaalsContact OD2-CZ 3.3Å; D99-R126 IonicContact OD2-NH1 2.77Å; D99-R126 PolarHBondContact OD2-NH1 3.2Å; D99-R126 IonicContact OD2-NH2 2.68Å; D99-R126 PolarHBondContact OD2-NH2 3.47Å
100K71.9Confident69.9Low153 Ų153105 Ų10567%0.66557%0.571SS**Hα-helixtrans-65.7-25.4177.5-71.1178-178.1-178.80112.8Q96 E97Q96-K100 WeakPolarHBondContact O-CG 3.45Å; Q96-K100 PolarHBondContact O-N 3.33Å; E97-K100 PolarHBondContact O-N 3.25Å
101G62.6Low67.5Low58 Ų58104.6 Ų104.660%0.59857%0.569SS**Hα-helixtrans-74.4-29.5174.300000113.3E97 S98 D99E97-G101 PolarHBondContact O-N 2.82Å; S98-G101 PolarHBondContact O-N 3.43Å; D99-G101 PolarHBondContact O-N 3.09Å
102E62.7Low65.3Low145 Ų145111.7 Ų111.768%0.67860%0.6SS**Hα-helixtrans-82.3-29.9179.7-71.1-176.7157.600113.1S98 D99 L104 G105S98-E102 PolarHBondContact O-N 3.32Å; D99-E102 PolarHBondContact O-N 3.25Å; D99-E102 VanDerWaalsContact O-N 3.15Å; E102-L104 PolarHBondContact O-N 3.32Å; E102-G105 PolarHBondContact O-N 3.48Å
103E57.4Low63.3Low154 Ų154115.7 Ų115.772%0.7263%0.626SS**THydrogen-bonded Turntrans-68.7-8.4178.9-73.9-170.9155.100114.7D99 G105D99-E103 PolarHBondContact O-N 3.04Å; E103-G105 VanDerWaalsContact C-N 3.33Å
104L56.1Low61.4Low164 Ų164114 Ų11486%0.85962%0.624SS**THydrogen-bonded Turntrans-850.3175.8-126.881.1000114.1E102E102-L104 PolarHBondContact O-N 3.32Å
105G44.5Very low60.1Low47 Ų47110.6 Ų110.649%0.48561%0.614SS.*SBendtrans-90.1151.8176.800000113.9E102 E103E102-G105 PolarHBondContact O-N 3.48Å; E103-G105 VanDerWaalsContact C-N 3.33Å
106P52.3Low59.5Low140 Ų140109.2 Ų109.291%0.90962%0.615SS**  trans-83.9131.3-173.333-31.4000112.9
107G47.3Very low59.2Low67 Ų67109.5 Ų109.569%0.69162%0.615SS**  trans103.6142.9161.700000114.6
108N43.3Very low59.1Low168 Ų168107.7 Ų107.790%0.89861%0.609SS**  cis-158.3150.210.3-110.4-13.8000110.7Q110N108-Q110 PolarHBondContact O-N 3.44Å
109V51.5Low59.2Low138 Ų138112.1 Ų112.184%0.83662%0.616SS**  trans-71.1102.2173.9175.50000109.8
110Q43.8Very low59.8Low177 Ų177112.2 Ų112.283%0.82762%0.618SS**  trans-178.458156.3-158.981.625.400113.5N108N108-Q110 PolarHBondContact O-N 3.44Å
111K42.1Very low60.6Low128 Ų128107.7 Ų107.756%0.55760%0.601SS**  trans-157.187.2173.1-78-165.2161.4-176.30111.9S114 S115 D118K111-S114 VanDerWaalsContact CB-OG 3.31Å; K111-S114 WeakPolarHBondContact CB-OG 3.14Å; K111-S114 WeakPolarHBondContact CD-OG 3.1Å; K111-S114 WeakPolarHBondContact CE-OG 3.45Å; K111-S114 WeakPolarHBondContact CG-OG 3.27Å; K111-S115 WeakPolarHBondContact O-CB 3.33Å; K111-S115 PolarHBondContact O-OG 3.39Å; K111-D118 IonicContact NZ-OD2 3.93Å; K111-D118 PolarHBondContact NZ-OD2 3Å
112E48.9Very low61.9Low182 Ų182109.2 Ų109.285%0.8559%0.591SS**SBendtrans-96.9-27.7174.2-77.4-166.6155.400114.1S115E112-S115 PolarHBondContact O-OG 3.01Å; E112-S115 VanDerWaalsContact O-OG 3.07Å
113V48.2Very low63.2Low131 Ų131107.2 Ų107.279%0.79458%0.581SS**SBendtrans-100-38.4177.1179.20000112.6S115V113-S115 VanDerWaalsContact C-N 3.25Å; V113-S115 PolarHBondContact O-N 3Å
114S51.6Low64.8Low51 Ų51100 Ų10036%0.35755%0.548SS..Hα-helixtrans-70.3-21.3173.760.20000113K111 S116 D118K111-S114 VanDerWaalsContact CB-OG 3.31Å; K111-S114 WeakPolarHBondContact CB-OG 3.14Å; K111-S114 WeakPolarHBondContact CD-OG 3.1Å; K111-S114 WeakPolarHBondContact CE-OG 3.45Å; K111-S114 WeakPolarHBondContact CG-OG 3.27Å; S114-S116 PolarHBondContact O-N 3.38Å; S114-D118 VanDerWaalsContact O-CB 3.22Å; S114-D118 WeakPolarHBondContact O-CB 3.32Å; S114-D118 PolarHBondContact O-N 3.47Å; S114-D118 VanDerWaalsContact O-N 3.09Å
115S63.6Low66.6Low46 Ų4694.7 Ų94.732%0.32252%0.523SS..Hα-helixtrans-68.7-31.3179.153.80000113.6K111 E112 V113 R119K111-S115 WeakPolarHBondContact O-CB 3.33Å; K111-S115 PolarHBondContact O-OG 3.39Å; E112-S115 PolarHBondContact O-OG 3.01Å; E112-S115 VanDerWaalsContact O-OG 3.07Å; V113-S115 VanDerWaalsContact C-N 3.25Å; V113-S115 PolarHBondContact O-N 3Å; S115-R119 WeakPolarHBondContact O-CB 3.33Å; S115-R119 PolarHBondContact O-N 3.18Å
116S73.8Confident68.9Low46 Ų4694.5 Ų94.532%0.32251%0.507SS..Hα-helixtrans-71.1-43.5-178.2-70.50000112S114 V120S114-S116 PolarHBondContact O-N 3.38Å; S116-V120 WeakPolarHBondContact O-CG2 3.17Å; S116-V120 PolarHBondContact O-N 3.05Å
117F80.4Confident70.9Confident109 Ų10989.6 Ų89.648%0.47847%0.472SS..Hα-helixtrans-72.8-43.6176.9-173.9-108.5000111.8R119 V120 I121 Y201F117-R119 VanDerWaalsContact C-N 3.26Å; F117-R119 PolarHBondContact O-N 3.49Å; F117-V120 PolarHBondContact O-N 2.95Å; F117-V120 VanDerWaalsContact O-N 3.16Å; F117-I121 HydrophobicContact CD1-CD1 3.6Å; F117-I121 HydrophobicContact CD1-CG1 4.43Å; F117-I121 HydrophobicContact CE1-CD1 3.18Å; F117-I121 HydrophobicContact CE1-CG1 4.16Å; F117-I121 HydrophobicContact CE2-CD1 4.41Å; F117-I121 HydrophobicContact CG-CD1 4.4Å; F117-I121 HydrophobicContact CZ-CD1 3.64Å; F117-I121 HydrophobicContact CZ-CG1 4.25Å; F117-I121 PolarHBondContact O-N 3.47Å; F117-Y201 HydrophobicContact CD2-CE1 4.09Å
118D83Confident73.2Confident71 Ų7188.6 Ų88.638%0.3845%0.45SS..Hα-helixtrans-57.9-40.6175.3-74-16000111K111 S114 I121 K122K111-D118 IonicContact NZ-OD2 3.93Å; K111-D118 PolarHBondContact NZ-OD2 3Å; S114-D118 VanDerWaalsContact O-CB 3.22Å; S114-D118 WeakPolarHBondContact O-CB 3.32Å; S114-D118 PolarHBondContact O-N 3.47Å; S114-D118 VanDerWaalsContact O-N 3.09Å; D118-I121 PolarHBondContact O-N 2.88Å; D118-K122 WeakPolarHBondContact O-CB 3.28Å; D118-K122 PolarHBondContact O-N 3.07Å
119R83.2Confident75.7Confident150 Ų15083.5 Ų83.557%0.56642%0.422SS*.Hα-helixtrans-63.8-46.1175.6-175.6174.370-158.4-1.9112.1S115 F117 I121 K122 E123S115-R119 WeakPolarHBondContact O-CB 3.33Å; S115-R119 PolarHBondContact O-N 3.18Å; F117-R119 VanDerWaalsContact C-N 3.26Å; F117-R119 PolarHBondContact O-N 3.49Å; R119-I121 VanDerWaalsContact C-N 3.32Å; R119-I121 PolarHBondContact O-N 3.27Å; R119-K122 PolarHBondContact O-N 3.44Å; R119-E123 HydrophobicContact CG-CG 4.3Å; R119-E123 VanDerWaalsContact CG-OE1 3.29Å; R119-E123 WeakPolarHBondContact CG-OE1 3.41Å; R119-E123 IonicContact NE-OE1 3.98Å; R119-E123 WeakPolarHBondContact O-CB 3.38Å; R119-E123 WeakPolarHBondContact O-CG 3.45Å; R119-E123 PolarHBondContact O-N 2.87Å
120V87.1Confident77.8Confident32 Ų3276.9 Ų76.919%0.19438%0.382CS..Hα-helixtrans-61.8-40.7178.1170.80000111.3S116 F117 T124 Y201S116-V120 WeakPolarHBondContact O-CG2 3.17Å; S116-V120 PolarHBondContact O-N 3.05Å; F117-V120 PolarHBondContact O-N 2.95Å; F117-V120 VanDerWaalsContact O-N 3.16Å; V120-T124 WeakPolarHBondContact O-CB 3.43Å; V120-T124 PolarHBondContact O-N 3.32Å; V120-T124 PolarHBondContact O-OG1 3.45Å; V120-Y201 HydrophobicContact CG2-CD2 3.93Å
121I90Very high80.2Confident57 Ų5773.6 Ų73.629%0.29236%0.362SS..Hα-helixtrans-62.9-47.5174.8-71.3173000110.8F117 D118 R119 T124 T125 W194F117-I121 HydrophobicContact CD1-CD1 3.6Å; F117-I121 HydrophobicContact CD1-CG1 4.43Å; F117-I121 HydrophobicContact CE1-CD1 3.18Å; F117-I121 HydrophobicContact CE1-CG1 4.16Å; F117-I121 HydrophobicContact CE2-CD1 4.41Å; F117-I121 HydrophobicContact CG-CD1 4.4Å; F117-I121 HydrophobicContact CZ-CD1 3.64Å; F117-I121 HydrophobicContact CZ-CG1 4.25Å; F117-I121 PolarHBondContact O-N 3.47Å; D118-I121 PolarHBondContact O-N 2.88Å; R119-I121 VanDerWaalsContact C-N 3.32Å; R119-I121 PolarHBondContact O-N 3.27Å; I121-T124 PolarHBondContact O-N 3.43Å; I121-T125 WeakPolarHBondContact O-CB 3.29Å; I121-T125 PolarHBondContact O-N 3.06Å; I121-T125 PolarHBondContact O-OG1 3.48Å; I121-W194 HydrophobicContact CG2-CH2 4.37Å
122K89.4Confident82.9Confident90 Ų9068.7 Ų68.739%0.39134%0.344SS..Hα-helixtrans-60.4-47.8-179.7-163.8-174.6-159.9-167.80111D99 D118 R119 T125 R126D99-K122 IonicContact OD1-NZ 3.42Å; D99-K122 PolarHBondContact OD1-NZ 3.27Å; D99-K122 IonicContact OD2-NZ 3.34Å; D118-K122 WeakPolarHBondContact O-CB 3.28Å; D118-K122 PolarHBondContact O-N 3.07Å; R119-K122 PolarHBondContact O-N 3.44Å; K122-T125 PolarHBondContact O-N 3.35Å; K122-R126 VanDerWaalsContact O-CG 3.3Å; K122-R126 WeakPolarHBondContact O-CG 3.3Å; K122-R126 PolarHBondContact O-N 3.4Å
123E88.9Confident85.1Confident103 Ų10361.2 Ų61.248%0.48131%0.313SS..Hα-helixtrans-62.2-46.8176.7-73.2175.3-173.500111.7R119 T125 R126 E127R119-E123 HydrophobicContact CG-CG 4.3Å; R119-E123 VanDerWaalsContact CG-OE1 3.29Å; R119-E123 WeakPolarHBondContact CG-OE1 3.41Å; R119-E123 IonicContact NE-OE1 3.98Å; R119-E123 WeakPolarHBondContact O-CB 3.38Å; R119-E123 WeakPolarHBondContact O-CG 3.45Å; R119-E123 PolarHBondContact O-N 2.87Å; E123-T125 VanDerWaalsContact C-N 3.33Å; E123-T125 PolarHBondContact O-N 3.16Å; E123-R126 PolarHBondContact O-N 3.36Å; E123-E127 WeakPolarHBondContact O-CB 3.41Å; E123-E127 PolarHBondContact O-N 3.46Å
124T92.9Very high87.4Confident4 Ų455.5 Ų55.53%0.02528%0.28CS..Hα-helixtrans-63.8-38.5179.1-58.20000111.7V120 I121 E127 M128 L193 W194 N197V120-T124 WeakPolarHBondContact O-CB 3.43Å; V120-T124 PolarHBondContact O-N 3.32Å; V120-T124 PolarHBondContact O-OG1 3.45Å; I121-T124 PolarHBondContact O-N 3.43Å; T124-E127 PolarHBondContact O-N 3.42Å; T124-M128 VanDerWaalsContact O-CB 3.3Å; T124-M128 WeakPolarHBondContact O-CB 3.2Å; T124-M128 PolarHBondContact O-N 3.05Å; T124-L193 HydrophobicContact CG2-CD2 4.39Å; T124-L193 HydrophobicContact CG2-CG 4.17Å; T124-W194 HydrophobicContact CG2-CD2 3.8Å; T124-W194 HydrophobicContact CG2-CE3 4.3Å; T124-W194 HydrophobicContact CG2-CG 4.07Å; T124-W194 HydrophobicContact CG2-CZ2 4.12Å; T124-N197 HydrophobicContact CG2-CB 4.21Å; T124-N197 WeakPolarHBondContact CG2-ND2 3.37Å; T124-N197 PolarHBondContact OG1-ND2 3.31Å
125T93.3Very high89.5Confident52 Ų5253.8 Ų53.832%0.31927%0.267SS..Hα-helixtrans-67.8-43.7178.5-56.80000111.2I121 K122 E123 E127 M128 I129I121-T125 WeakPolarHBondContact O-CB 3.29Å; I121-T125 PolarHBondContact O-N 3.06Å; I121-T125 PolarHBondContact O-OG1 3.48Å; K122-T125 PolarHBondContact O-N 3.35Å; E123-T125 VanDerWaalsContact C-N 3.33Å; E123-T125 PolarHBondContact O-N 3.16Å; T125-E127 VanDerWaalsContact C-N 3.34Å; T125-E127 PolarHBondContact O-N 2.94Å; T125-M128 WeakPolarHBondContact O-CB 3.34Å; T125-M128 PolarHBondContact O-N 2.74Å; T125-I129 HydrophobicContact CG2-CD1 4.17Å; T125-I129 WeakPolarHBondContact O-CG1 3.41Å; T125-I129 PolarHBondContact O-N 2.91Å
126R92.9Very high91.1Very high42 Ų4255.2 Ų55.216%0.15827%0.271CS..Hα-helixtrans-58.9-47.1174.3-72.7169.1176.4178.3-5111.5Y95 D99 K122 E123 M128 I129 A130Y95-R126 HydrophobicContact CD1-CG 4.15Å; Y95-R126 HydrophobicContact CG-CG 4.15Å; D99-R126 IonicContact OD1-CZ 3.4Å; D99-R126 IonicContact OD1-NH1 3.36Å; D99-R126 IonicContact OD1-NH2 3.18Å; D99-R126 PolarHBondContact OD1-NH2 3.48Å; D99-R126 IonicContact OD2-CZ 2.66Å; D99-R126 VanDerWaalsContact OD2-CZ 3.3Å; D99-R126 IonicContact OD2-NH1 2.77Å; D99-R126 PolarHBondContact OD2-NH1 3.2Å; D99-R126 IonicContact OD2-NH2 2.68Å; D99-R126 PolarHBondContact OD2-NH2 3.47Å; K122-R126 VanDerWaalsContact O-CG 3.3Å; K122-R126 WeakPolarHBondContact O-CG 3.3Å; K122-R126 PolarHBondContact O-N 3.4Å; E123-R126 PolarHBondContact O-N 3.36Å; R126-M128 VanDerWaalsContact C-N 3.31Å; R126-M128 PolarHBondContact O-N 3.01Å; R126-I129 PolarHBondContact O-N 3.31Å; R126-A130 WeakPolarHBondContact O-CB 3.23Å; R126-A130 PolarHBondContact O-N 3.13Å
127E93.8Very high92.2Very high37 Ų3757.1 Ų57.117%0.17328%0.276CS..Hα-helixtrans-64.2-37.9177.9-174.760.9-165.500111.5H88 E123 T124 T125 I129 A130 R131 L193H88-E127 IonicContact CE1-OE1 2.74Å; H88-E127 IonicContact CE1-OE2 2.61Å; H88-E127 IonicContact NE2-OE1 2.74Å; H88-E127 PolarHBondContact NE2-OE1 3.5Å; H88-E127 IonicContact NE2-OE2 3.77Å; H88-E127 PolarHBondContact NE2-OE2 2.99Å; H88-E127 VanDerWaalsContact NE2-OE2 3.17Å; E123-E127 WeakPolarHBondContact O-CB 3.41Å; E123-E127 PolarHBondContact O-N 3.46Å; T124-E127 PolarHBondContact O-N 3.42Å; T125-E127 VanDerWaalsContact C-N 3.34Å; T125-E127 PolarHBondContact O-N 2.94Å; E127-I129 PolarHBondContact O-N 2.88Å; E127-A130 PolarHBondContact O-N 3.01Å; E127-R131 HydrophobicContact CG-CG 4.47Å; E127-R131 WeakPolarHBondContact O-CB 3.22Å; E127-R131 VanDerWaalsContact O-CG 3.29Å; E127-R131 WeakPolarHBondContact O-CG 3.37Å; E127-R131 PolarHBondContact O-N 3.04Å; E127-R131 IonicContact OE1-CZ 3.3Å; E127-R131 IonicContact OE1-NE 2.97Å; E127-R131 PolarHBondContact OE1-NE 3.26Å; E127-R131 IonicContact OE1-NH2 3.77Å; E127-R131 PolarHBondContact OE1-NH2 3.39Å; E127-L193 HydrophobicContact CB-CD1 4.47Å; E127-L193 HydrophobicContact CB-CD2 4.17Å; E127-L193 HydrophobicContact CG-CD1 3.8Å; E127-L193 HydrophobicContact CG-CD2 4.02Å
128M95.9Very high93Very high46 Ų4652.8 Ų52.823%0.22726%0.259CS..Hα-helixtrans-60-46.4175.1-171.7-141-84.900111.1T124 T125 R126 S132 I190 L193 W194T124-M128 VanDerWaalsContact O-CB 3.3Å; T124-M128 WeakPolarHBondContact O-CB 3.2Å; T124-M128 PolarHBondContact O-N 3.05Å; T125-M128 WeakPolarHBondContact O-CB 3.34Å; T125-M128 PolarHBondContact O-N 2.74Å; R126-M128 VanDerWaalsContact C-N 3.31Å; R126-M128 PolarHBondContact O-N 3.01Å; M128-S132 VanDerWaalsContact O-CB 3.27Å; M128-S132 WeakPolarHBondContact O-CB 3.23Å; M128-S132 PolarHBondContact O-N 3.01Å; M128-S132 PolarHBondContact O-OG 3.17Å; M128-I190 HydrophobicContact CE-CG2 3.78Å; M128-I190 HydrophobicContact CG-CD1 4.48Å; M128-I190 HydrophobicContact CG-CG1 3.82Å; M128-I190 HydrophobicContact CG-CG2 4.26Å; M128-I190 HydrophobicContact SD-CD1 4.31Å; M128-I190 HydrophobicContact SD-CG1 4.22Å; M128-I190 HydrophobicContact SD-CG2 4.27Å; M128-L193 VanDerWaalsContact CA-CD2 3.44Å; M128-L193 HydrophobicContact CB-CD2 3.76Å; M128-L193 HydrophobicContact CG-CD2 4.43Å; M128-W194 HydrophobicContact CE-CZ2 3.93Å
129I95.9Very high93.6Very high61 Ų6149.5 Ų49.531%0.31324%0.241SC..Hα-helixtrans-66-46.7-179.8-64.3166.9000110.3V91 Y95 T125 R126 E127 R131 S132 A133V91-I129 HydrophobicContact CG1-CG2 4.34Å; Y95-I129 HydrophobicContact CE2-CB 4.28Å; Y95-I129 HydrophobicContact CE2-CD1 4.43Å; Y95-I129 HydrophobicContact CE2-CG2 3.83Å; Y95-I129 WeakPolarHBondContact OH-CD1 3.41Å; T125-I129 HydrophobicContact CG2-CD1 4.17Å; T125-I129 WeakPolarHBondContact O-CG1 3.41Å; T125-I129 PolarHBondContact O-N 2.91Å; R126-I129 PolarHBondContact O-N 3.31Å; E127-I129 PolarHBondContact O-N 2.88Å; I129-R131 PolarHBondContact O-N 3.41Å; I129-S132 PolarHBondContact O-N 2.65Å; I129-A133 WeakPolarHBondContact O-CB 3.33Å; I129-A133 PolarHBondContact O-N 3.24Å
130A95.4Very high94.3Very high0 Ų043.6 Ų43.60%022%0.222CC..Hα-helixtrans-59.4-45.417800000112.1V91 R126 E127 A134V91-A130 HydrophobicContact CB-CB 4.13Å; V91-A130 HydrophobicContact CG1-CB 3.9Å; R126-A130 WeakPolarHBondContact O-CB 3.23Å; R126-A130 PolarHBondContact O-N 3.13Å; E127-A130 PolarHBondContact O-N 3.01Å; A130-A134 WeakPolarHBondContact O-CB 3.48Å; A130-A134 PolarHBondContact O-N 3.36Å
131R94.9Very high94.8Very high108 Ų10844 Ų4441%0.40822%0.221SC..Hα-helixtrans-65.8-43.7176.2-72.7-174.4-172.8-166.14112.5E127 I129 A133 A134 T135E127-R131 HydrophobicContact CG-CG 4.47Å; E127-R131 WeakPolarHBondContact O-CB 3.22Å; E127-R131 VanDerWaalsContact O-CG 3.29Å; E127-R131 WeakPolarHBondContact O-CG 3.37Å; E127-R131 PolarHBondContact O-N 3.04Å; E127-R131 IonicContact OE1-CZ 3.3Å; E127-R131 IonicContact OE1-NE 2.97Å; E127-R131 PolarHBondContact OE1-NE 3.26Å; E127-R131 IonicContact OE1-NH2 3.77Å; E127-R131 PolarHBondContact OE1-NH2 3.39Å; I129-R131 PolarHBondContact O-N 3.41Å; R131-A133 PolarHBondContact O-N 3.12Å; R131-A134 PolarHBondContact O-N 3.48Å; R131-T135 WeakPolarHBondContact O-CB 3.43Å; R131-T135 PolarHBondContact O-N 3.03Å; R131-T135 PolarHBondContact O-OG1 3.01Å
132S97.1Very high95.1Very high24 Ų2442.5 Ų42.517%0.16821%0.213CC..Hα-helixtrans-63.8-42.9-179.8-58.80000111.3M128 I129 T135 L136M128-S132 VanDerWaalsContact O-CB 3.27Å; M128-S132 WeakPolarHBondContact O-CB 3.23Å; M128-S132 PolarHBondContact O-N 3.01Å; M128-S132 PolarHBondContact O-OG 3.17Å; I129-S132 PolarHBondContact O-N 2.65Å; S132-T135 PolarHBondContact O-N 3.13Å; S132-L136 WeakPolarHBondContact O-CB 3.45Å; S132-L136 VanDerWaalsContact O-CG 3.3Å; S132-L136 WeakPolarHBondContact O-CG 3.23Å; S132-L136 PolarHBondContact O-N 2.81Å
133A96.7Very high95.5Very high26 Ų2638.2 Ų38.222%0.21519%0.194CC..Hα-helixtrans-61.8-43.8174.900000111.9V87 V91 I129 R131 L136 I137V87-A133 HydrophobicContact CG1-CB 4.32Å; V91-A133 HydrophobicContact CG2-CB 4.06Å; I129-A133 WeakPolarHBondContact O-CB 3.33Å; I129-A133 PolarHBondContact O-N 3.24Å; R131-A133 PolarHBondContact O-N 3.12Å; A133-L136 PolarHBondContact O-N 3.2Å; A133-I137 PolarHBondContact O-N 3.46Å
134A96.1Very high95.8Very high10 Ų1033.4 Ų33.48%0.08317%0.172CC..Hα-helixtrans-62.5-46.217500000111.8V87 H88 A130 R131 L136 I137 T138V87-A134 HydrophobicContact CB-CB 4.45Å; V87-A134 HydrophobicContact CG1-CB 4.21Å; H88-A134 HydrophobicContact CB-CB 4.18Å; A130-A134 WeakPolarHBondContact O-CB 3.48Å; A130-A134 PolarHBondContact O-N 3.36Å; R131-A134 PolarHBondContact O-N 3.48Å; A134-L136 PolarHBondContact O-N 2.89Å; A134-I137 PolarHBondContact O-N 3.32Å; A134-T138 WeakPolarHBondContact O-CB 3.47Å; A134-T138 VanDerWaalsContact O-CG2 3.25Å; A134-T138 WeakPolarHBondContact O-CG2 3.3Å; A134-T138 PolarHBondContact O-N 3.49Å; A134-T138 PolarHBondContact O-OG1 2.96Å
135T96.3Very high96Very high15 Ų1533.3 Ų33.39%0.09217%0.172CC..Hα-helixtrans-60.3-44.4176.9-66.20000111.1R131 S132 I137 T138 H139 L182 R185 L186 D189R131-T135 WeakPolarHBondContact O-CB 3.43Å; R131-T135 PolarHBondContact O-N 3.03Å; R131-T135 PolarHBondContact O-OG1 3.01Å; S132-T135 PolarHBondContact O-N 3.13Å; T135-I137 VanDerWaalsContact C-N 3.34Å; T135-I137 PolarHBondContact O-N 3.5Å; T135-T138 WeakPolarHBondContact CA-OG1 3.44Å; T135-T138 PolarHBondContact O-N 2.93Å; T135-T138 PolarHBondContact O-OG1 3.21Å; T135-H139 WeakPolarHBondContact O-CB 3.46Å; T135-H139 PolarHBondContact O-N 3.24Å; T135-L182 HydrophobicContact CG2-CD1 4.33Å; T135-R185 HydrophobicContact CG2-CG 3.89Å; T135-L186 HydrophobicContact CG2-CD2 3.73Å; T135-L186 HydrophobicContact CG2-CG 4.4Å; T135-D189 PolarHBondContact OG1-OD2 3.29Å
136L96.9Very high96.2Very high77 Ų7730.9 Ų30.940%0.40316%0.157SC..Hα-helixtrans-57.5-44.3178.1-76.4169.4000113S132 A133 A134 L182 L186S132-L136 WeakPolarHBondContact O-CB 3.45Å; S132-L136 VanDerWaalsContact O-CG 3.3Å; S132-L136 WeakPolarHBondContact O-CG 3.23Å; S132-L136 PolarHBondContact O-N 2.81Å; A133-L136 PolarHBondContact O-N 3.2Å; A134-L136 PolarHBondContact O-N 2.89Å; L136-L182 HydrophobicContact CD2-CD1 4.11Å; L136-L182 HydrophobicContact CD2-CD2 3.57Å; L136-L182 HydrophobicContact CD2-CG 4.38Å; L136-L186 HydrophobicContact CD2-CD1 4.12Å
137I96.2Very high96.3Very high86 Ų8628.9 Ų28.944%0.44115%0.149SC..Hα-helixtrans-74.3-32.9-179.1-70.6170.9000111.7V87 A133 A134 T135V87-I137 HydrophobicContact CB-CD1 4.41Å; V87-I137 HydrophobicContact CG1-CD1 3.84Å; V87-I137 HydrophobicContact CG2-CB 4.42Å; V87-I137 HydrophobicContact CG2-CD1 3.65Å; V87-I137 HydrophobicContact CG2-CG2 4.15Å; A133-I137 PolarHBondContact O-N 3.46Å; A134-I137 PolarHBondContact O-N 3.32Å; T135-I137 VanDerWaalsContact C-N 3.34Å; T135-I137 PolarHBondContact O-N 3.5Å
138T96.6Very high96.4Very high17 Ų1727.4 Ų27.410%0.10414%0.143CC..Hα-helixtrans-90.5-18.6-175.156.80000114.2S80 L83 A134 T135 P140 F141 H142S80-T138 WeakPolarHBondContact O-CG2 3.41Å; S80-T138 WeakPolarHBondContact OG-CB 3.39Å; L83-T138 HydrophobicContact CB-CG2 4.25Å; A134-T138 WeakPolarHBondContact O-CB 3.47Å; A134-T138 VanDerWaalsContact O-CG2 3.25Å; A134-T138 WeakPolarHBondContact O-CG2 3.3Å; A134-T138 PolarHBondContact O-N 3.49Å; A134-T138 PolarHBondContact O-OG1 2.96Å; T135-T138 WeakPolarHBondContact CA-OG1 3.44Å; T135-T138 PolarHBondContact O-N 2.93Å; T135-T138 PolarHBondContact O-OG1 3.21Å; T138-P140 VanDerWaalsContact C-CD 3.49Å; T138-F141 WeakPolarHBondContact O-CB 3.38Å; T138-F141 PolarHBondContact O-N 3.02Å; T138-H142 PolarHBondContact O-N 2.85Å; T138-H142 VanDerWaalsContact O-N 3.16Å
139H97.2Very high96.4Very high3 Ų325.2 Ų25.21%0.01413%0.132CC..Hα-helixtrans-56.3-40.4-176.2-169.373.4000114.4T135 F141 H142 V143 F178 A180 L182T135-H139 WeakPolarHBondContact O-CB 3.46Å; T135-H139 PolarHBondContact O-N 3.24Å; H139-F141 VanDerWaalsContact C-N 3.26Å; H139-F141 PolarHBondContact O-N 3.18Å; H139-H142 WeakPolarHBondContact O-CA 3.4Å; H139-H142 WeakPolarHBondContact O-CB 3.42Å; H139-H142 PolarHBondContact O-N 2.89Å; H139-V143 PolarHBondContact O-N 3.02Å; H139-F178 PolarHBondContact CD2-O 3.04Å; H139-A180 PolarHBondContact CE1-O 2.9Å; H139-A180 PolarHBondContact NE2-O 2.89Å; H139-L182 HydrophobicContact CB-CD1 3.91Å; H139-L182 PolarHBondContact NE2-N 3.41Å
140P97.1Very high96.4Very high26 Ų2622.3 Ų22.317%0.16912%0.117CC..Hα-helixtrans-54.8-40173.8-28.436.8000113.4T138 V143 I144 F178 F179T138-P140 VanDerWaalsContact C-CD 3.49Å; P140-V143 PolarHBondContact O-N 2.97Å; P140-I144 WeakPolarHBondContact O-CD1 3.49Å; P140-I144 VanDerWaalsContact O-CG1 3.29Å; P140-I144 WeakPolarHBondContact O-CG1 3.36Å; P140-I144 PolarHBondContact O-N 3.15Å; P140-I144 VanDerWaalsContact O-N 3.09Å; P140-F178 HydrophobicContact CB-CB 4.01Å; P140-F178 HydrophobicContact CB-CD1 3.89Å; P140-F178 HydrophobicContact CB-CG 4.28Å; P140-F178 HydrophobicContact CG-CB 4.17Å; P140-F179 HydrophobicContact CG-CE1 4.48Å
141F97Very high96.4Very high39 Ų3923.4 Ų23.417%0.17112%0.122CC..Hα-helixtrans-71.8-33.7177.4-62.6-85.3000112.3C79 L83 T138 H139 I144 T145 L162C79-F141 HydrophobicContact CB-CD1 3.87Å; C79-F141 HydrophobicContact CB-CE1 3.89Å; L83-F141 HydrophobicContact CD1-CD2 4.19Å; L83-F141 HydrophobicContact CD1-CE2 3.4Å; L83-F141 HydrophobicContact CD1-CZ 3.65Å; T138-F141 WeakPolarHBondContact O-CB 3.38Å; T138-F141 PolarHBondContact O-N 3.02Å; H139-F141 VanDerWaalsContact C-N 3.26Å; H139-F141 PolarHBondContact O-N 3.18Å; F141-I144 PolarHBondContact O-N 3.24Å; F141-T145 WeakPolarHBondContact O-CB 3.47Å; F141-T145 PolarHBondContact O-N 3.05Å; F141-T145 PolarHBondContact O-OG1 3.35Å; F141-L162 HydrophobicContact CD1-CD1 3.84Å; F141-L162 HydrophobicContact CE1-CD1 3.97Å; F141-L162 HydrophobicContact CE1-CD2 4.11Å
142H96.6Very high96.3Very high26 Ų2618.4 Ų18.412%0.1210%0.104CC..Hα-helixtrans-62.1-46.5172.2-177.469.8000110.9T138 H139 I144 T145 L146 R185 N242T138-H142 PolarHBondContact O-N 2.85Å; T138-H142 VanDerWaalsContact O-N 3.16Å; H139-H142 WeakPolarHBondContact O-CA 3.4Å; H139-H142 WeakPolarHBondContact O-CB 3.42Å; H139-H142 PolarHBondContact O-N 2.89Å; H142-I144 PolarHBondContact O-N 3.03Å; H142-T145 WeakPolarHBondContact O-CB 3.44Å; H142-T145 PolarHBondContact O-N 2.84Å; H142-L146 WeakPolarHBondContact NE2-CD1 3.32Å; H142-L146 WeakPolarHBondContact O-CG 3.07Å; H142-L146 PolarHBondContact O-N 2.83Å; H142-R185 PolarHBondContact CE1-NH1 3.39Å; H142-R185 PolarHBondContact NE2-NH1 2.88Å; H142-N242 PolarHBondContact NE2-OD1 3.3Å
143V96.9Very high96.1Very high0 Ų017.8 Ų17.80%010%0.098CC..Hα-helixtrans-58.9-47.9176.21740000111.4H139 P140 T145 L146 R147 I169 F178 A245H139-V143 PolarHBondContact O-N 3.02Å; P140-V143 PolarHBondContact O-N 2.97Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 2.92Å; V143-L146 PolarHBondContact O-N 3.12Å; V143-R147 HydrophobicContact CG1-CG 4.4Å; V143-R147 VanDerWaalsContact CG1-NE 3.3Å; V143-R147 WeakPolarHBondContact O-CG 3.42Å; V143-R147 PolarHBondContact O-N 3.11Å; V143-I169 HydrophobicContact CG1-CD1 4.46Å; V143-F178 WeakPolarHBondContact CG2-O 3.34Å; V143-A245 HydrophobicContact CG2-CB 4.13Å
144I96.9Very high95.7Very high2 Ų218 Ų181%0.0110%0.103CC..Hα-helixtrans-58.6-45.3177-65.8162.3000110.5P76 P140 F141 H142 L146 R147 S148 L162 I166 I169 F178P76-I144 HydrophobicContact CB-CB 4.22Å; P76-I144 HydrophobicContact CB-CG2 3.94Å; P76-I144 HydrophobicContact CG-CG2 3.99Å; P140-I144 WeakPolarHBondContact O-CD1 3.49Å; P140-I144 VanDerWaalsContact O-CG1 3.29Å; P140-I144 WeakPolarHBondContact O-CG1 3.36Å; P140-I144 PolarHBondContact O-N 3.15Å; P140-I144 VanDerWaalsContact O-N 3.09Å; F141-I144 PolarHBondContact O-N 3.24Å; H142-I144 PolarHBondContact O-N 3.03Å; I144-L146 PolarHBondContact O-N 3.44Å; I144-R147 PolarHBondContact O-N 3.03Å; I144-S148 WeakPolarHBondContact O-CB 3.49Å; I144-S148 PolarHBondContact O-N 3.09Å; I144-S148 PolarHBondContact O-OG 3.5Å; I144-L162 HydrophobicContact CD1-CD1 3.97Å; I144-L162 HydrophobicContact CG2-CD1 4.43Å; I144-I166 HydrophobicContact CD1-CD1 4.43Å; I144-I166 HydrophobicContact CD1-CG1 3.58Å; I144-I169 HydrophobicContact CG1-CD1 3.66Å; I144-F178 HydrophobicContact CD1-CE1 4.28Å
145T96.8Very high95.5Very high3 Ų324 Ų242%0.01812%0.123CC..Hα-helixtrans-56.8-48.5178.1-59.20000111.7G73 P76 R77 F141 H142 V143 S148 M149G73-T145 WeakPolarHBondContact O-CG2 3.34Å; P76-T145 WeakPolarHBondContact CB-OG1 3.2Å; P76-T145 WeakPolarHBondContact CG-OG1 3.13Å; R77-T145 HydrophobicContact CB-CG2 4.08Å; R77-T145 PolarHBondContact N-OG1 2.94Å; F141-T145 WeakPolarHBondContact O-CB 3.47Å; F141-T145 PolarHBondContact O-N 3.05Å; F141-T145 PolarHBondContact O-OG1 3.35Å; H142-T145 WeakPolarHBondContact O-CB 3.44Å; H142-T145 PolarHBondContact O-N 2.84Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 2.92Å; T145-S148 PolarHBondContact O-N 3.46Å; T145-M149 HydrophobicContact CG2-CE 3.53Å; T145-M149 HydrophobicContact CG2-SD 4.23Å; T145-M149 WeakPolarHBondContact O-CG 3.34Å; T145-M149 PolarHBondContact O-N 3.48Å; T145-M149 VanDerWaalsContact O-N 3.12Å
146L96.8Very high95.2Very high0 Ų025.9 Ų25.90%013%0.131CC..Hα-helixtrans-63-45179.9-68.3178.8000111.8M22 V26 H142 V143 I144 M149 V150 N242 A245 V246M22-L146 HydrophobicContact CE-CD2 4.36Å; V26-L146 HydrophobicContact CB-CD2 4.3Å; V26-L146 HydrophobicContact CG1-CD2 3.81Å; V26-L146 HydrophobicContact CG2-CD2 3.44Å; V26-L146 VanDerWaalsContact CG2-CD2 3.44Å; H142-L146 WeakPolarHBondContact NE2-CD1 3.32Å; H142-L146 WeakPolarHBondContact O-CG 3.07Å; H142-L146 PolarHBondContact O-N 2.83Å; V143-L146 PolarHBondContact O-N 3.12Å; I144-L146 PolarHBondContact O-N 3.44Å; L146-M149 WeakPolarHBondContact O-CB 3.48Å; L146-M149 PolarHBondContact O-N 2.91Å; L146-M149 VanDerWaalsContact O-N 3.17Å; L146-V150 WeakPolarHBondContact O-CB 3.3Å; L146-V150 WeakPolarHBondContact O-CG2 3.45Å; L146-V150 PolarHBondContact O-N 3.36Å; L146-N242 HydrophobicContact CD1-CB 3.97Å; L146-N242 HydrophobicContact CD2-CB 4.46Å; L146-A245 HydrophobicContact CD1-CB 3.54Å; L146-V246 HydrophobicContact CB-CG1 3.91Å
147R96.1Very high94.8Very high1 Ų126.8 Ų26.80%0.00414%0.144CC..Hα-helixtrans-66.9-39.9180-68.4179.5-175.6-1650.4112.2V143 I144 M149 V150 Q151 Y159 E173 G177 A245 V246 L251V143-R147 HydrophobicContact CG1-CG 4.4Å; V143-R147 VanDerWaalsContact CG1-NE 3.3Å; V143-R147 WeakPolarHBondContact O-CG 3.42Å; V143-R147 PolarHBondContact O-N 3.11Å; I144-R147 PolarHBondContact O-N 3.03Å; R147-M149 PolarHBondContact O-N 3.21Å; R147-V150 PolarHBondContact O-N 3.44Å; R147-Q151 PolarHBondContact O-N 2.99Å; R147-Y159 HydrophobicContact CB-CD2 3.89Å; R147-Y159 HydrophobicContact CB-CE2 3.7Å; R147-Y159 HydrophobicContact CB-CG 4.42Å; R147-Y159 HydrophobicContact CG-CE2 4.46Å; R147-E173 IonicContact CZ-OE1 2.57Å; R147-E173 IonicContact CZ-OE2 2.72Å; R147-E173 IonicContact NH1-OE1 2.77Å; R147-E173 PolarHBondContact NH1-OE1 3.34Å; R147-E173 IonicContact NH1-OE2 3.84Å; R147-E173 PolarHBondContact NH1-OE2 2.69Å; R147-E173 VanDerWaalsContact NH1-OE2 3.13Å; R147-E173 IonicContact NH2-OE1 3.31Å; R147-E173 PolarHBondContact NH2-OE1 2.9Å; R147-E173 IonicContact NH2-OE2 3.02Å; R147-E173 PolarHBondContact NH2-OE2 3.03Å; R147-G177 PolarHBondContact NH2-O 3.34Å; R147-A245 PolarHBondContact NE-O 3.02Å; R147-A245 PolarHBondContact NH2-O 2.91Å; R147-V246 HydrophobicContact CG-CG1 4.23Å; R147-L251 HydrophobicContact CB-CD1 4.04Å; R147-L251 HydrophobicContact CG-CD1 4.42Å; R147-L251 WeakPolarHBondContact O-CD1 3.26Å
148S95.9Very high94.4Very high6 Ų624.6 Ų24.64%0.04213%0.131CC..Hα-helixtrans-60.5-32.4172-61.90000112.7T72 I144 T145 Q151T72-S148 WeakPolarHBondContact CG2-O 3.22Å; I144-S148 WeakPolarHBondContact O-CB 3.49Å; I144-S148 PolarHBondContact O-N 3.09Å; I144-S148 PolarHBondContact O-OG 3.5Å; T145-S148 PolarHBondContact O-N 3.46Å; S148-Q151 WeakPolarHBondContact O-CG 3.4Å; S148-Q151 PolarHBondContact O-NE2 3.25Å
149M95.8Very high94Very high0 Ų024 Ų240%013%0.127CC..Hα-helixtrans-74.2-45.6173.5-70169.1-178.700111.4M22 Y23 V26 T145 L146 R147 Q151 F152M22-M149 HydrophobicContact CG-CE 4.11Å; Y23-M149 HydrophobicContact CD2-CB 3.57Å; Y23-M149 HydrophobicContact CD2-CG 3.6Å; Y23-M149 HydrophobicContact CD2-SD 4.33Å; Y23-M149 HydrophobicContact CE2-CB 3.68Å; Y23-M149 HydrophobicContact CE2-CG 4.07Å; Y23-M149 VanDerWaalsContact CE2-O 3.27Å; Y23-M149 WeakPolarHBondContact CE2-O 3.34Å; Y23-M149 HydrophobicContact CG-CG 4.09Å; V26-M149 HydrophobicContact CB-SD 4Å; V26-M149 HydrophobicContact CG1-CB 4.16Å; V26-M149 HydrophobicContact CG1-SD 4.28Å; V26-M149 HydrophobicContact CG2-SD 3.81Å; T145-M149 HydrophobicContact CG2-CE 3.53Å; T145-M149 HydrophobicContact CG2-SD 4.23Å; T145-M149 WeakPolarHBondContact O-CG 3.34Å; T145-M149 PolarHBondContact O-N 3.48Å; T145-M149 VanDerWaalsContact O-N 3.12Å; L146-M149 WeakPolarHBondContact O-CB 3.48Å; L146-M149 PolarHBondContact O-N 2.91Å; L146-M149 VanDerWaalsContact O-N 3.17Å; R147-M149 PolarHBondContact O-N 3.21Å; M149-Q151 VanDerWaalsContact C-N 3.34Å; M149-Q151 PolarHBondContact O-N 3.21Å; M149-F152 WeakPolarHBondContact O-CB 3.41Å; M149-F152 PolarHBondContact O-N 2.76Å
150V95.7Very high93.3Very high0 Ų027.8 Ų27.80%015%0.153CC..Hα-helixtrans-69.6-26.4-173.6167.60000113.6V26 V30 L146 R147 F152 I153 V246 L251V26-V150 HydrophobicContact CG1-CG2 3.94Å; V30-V150 HydrophobicContact CG1-CG2 3.87Å; V30-V150 HydrophobicContact CG2-CG2 4.34Å; L146-V150 WeakPolarHBondContact O-CB 3.3Å; L146-V150 WeakPolarHBondContact O-CG2 3.45Å; L146-V150 PolarHBondContact O-N 3.36Å; R147-V150 PolarHBondContact O-N 3.44Å; V150-F152 PolarHBondContact O-N 3.34Å; V150-I153 HydrophobicContact CG1-CD1 4.19Å; V150-I153 WeakPolarHBondContact O-CB 3.47Å; V150-I153 WeakPolarHBondContact O-CG1 2.99Å; V150-I153 PolarHBondContact O-N 2.97Å; V150-V246 HydrophobicContact CB-CG1 4.38Å; V150-V246 HydrophobicContact CG1-CB 4.47Å; V150-V246 HydrophobicContact CG2-CB 4.41Å; V150-V246 HydrophobicContact CG2-CG1 3.92Å; V150-L251 HydrophobicContact CB-CD1 4.18Å; V150-L251 HydrophobicContact CG1-CD1 4.01Å
151Q94.8Very high92.8Very high22 Ų2228.7 Ų28.710%0.10317%0.167CC..THydrogen-bonded Turntrans-57.6-18.7176.979.2-173.6-7.500113.6R147 S148 M149 I153 G154 R155 E156 L251R147-Q151 PolarHBondContact O-N 2.99Å; S148-Q151 WeakPolarHBondContact O-CG 3.4Å; S148-Q151 PolarHBondContact O-NE2 3.25Å; M149-Q151 VanDerWaalsContact C-N 3.34Å; M149-Q151 PolarHBondContact O-N 3.21Å; Q151-I153 PolarHBondContact O-N 3.16Å; Q151-G154 PolarHBondContact O-N 2.94Å; Q151-R155 PolarHBondContact O-N 2.91Å; Q151-E156 HydrophobicContact CB-CB 4.2Å; Q151-E156 WeakPolarHBondContact CG-O 3.29Å; Q151-E156 PolarHBondContact O-N 3.46Å; Q151-L251 HydrophobicContact CB-CD1 4.33Å; Q151-L251 HydrophobicContact CB-CD2 3.77Å
152F93.8Very high92.6Very high4 Ų428.3 Ų28.32%0.01817%0.167CC..THydrogen-bonded Turntrans-55.9-35.5173-177.9-104.9000113.9Y23 L27 Y32 I61 I64 D65 M149 V150 G154 R155Y23-F152 HydrophobicContact CE2-CB 4.45Å; Y23-F152 WeakPolarHBondContact OH-CB 3.29Å; Y23-F152 WeakPolarHBondContact OH-CD2 3.2Å; Y23-F152 WeakPolarHBondContact OH-CG 3.33Å; L27-F152 HydrophobicContact CD1-CD1 3.82Å; L27-F152 HydrophobicContact CD1-CE1 4.4Å; Y32-F152 HydrophobicContact CE1-CD1 4Å; Y32-F152 AromaticContact CE1-CE1 3.93Å; Y32-F152 HydrophobicContact CE1-CE1 3.93Å; I61-F152 HydrophobicContact CB-CZ 4.3Å; I61-F152 HydrophobicContact CG1-CE1 4.03Å; I61-F152 HydrophobicContact CG1-CZ 4.03Å; I61-F152 HydrophobicContact CG2-CE2 4.21Å; I61-F152 HydrophobicContact CG2-CZ 4.37Å; I64-F152 HydrophobicContact CB-CE2 4.07Å; I64-F152 HydrophobicContact CB-CZ 4.1Å; I64-F152 HydrophobicContact CD1-CZ 3.86Å; I64-F152 HydrophobicContact CG2-CE2 3.81Å; I64-F152 HydrophobicContact CG2-CZ 4.13Å; D65-F152 WeakPolarHBondContact OD2-CD2 3.48Å; D65-F152 WeakPolarHBondContact OD2-CE2 3.34Å; M149-F152 WeakPolarHBondContact O-CB 3.41Å; M149-F152 PolarHBondContact O-N 2.76Å; V150-F152 PolarHBondContact O-N 3.34Å; F152-G154 PolarHBondContact O-N 2.99Å; F152-R155 PolarHBondContact O-N 3.41Å
153I91.4Very high92.4Very high10 Ų1031.8 Ų31.85%0.05119%0.192CC..THydrogen-bonded Turntrans-62-46.9-175.4-63.2174.2000110.6L27 V30 Y32 V150 Q151 R155 Y258L27-I153 HydrophobicContact CD2-CD1 4.09Å; L27-I153 HydrophobicContact CD2-CG1 3.97Å; V30-I153 HydrophobicContact CG2-CD1 3.59Å; Y32-I153 HydrophobicContact CD1-CG1 4Å; Y32-I153 HydrophobicContact CD2-CB 4.19Å; Y32-I153 HydrophobicContact CD2-CD1 4.16Å; Y32-I153 HydrophobicContact CD2-CG1 3.74Å; Y32-I153 HydrophobicContact CD2-CG2 3.67Å; Y32-I153 HydrophobicContact CE1-CG1 4.42Å; Y32-I153 HydrophobicContact CE2-CB 4.33Å; Y32-I153 HydrophobicContact CE2-CG1 4.2Å; Y32-I153 HydrophobicContact CE2-CG2 3.87Å; Y32-I153 HydrophobicContact CG-CD1 3.88Å; Y32-I153 HydrophobicContact CG-CG1 3.62Å; Y32-I153 HydrophobicContact CG-CG2 4.43Å; V150-I153 HydrophobicContact CG1-CD1 4.19Å; V150-I153 WeakPolarHBondContact O-CB 3.47Å; V150-I153 WeakPolarHBondContact O-CG1 2.99Å; V150-I153 PolarHBondContact O-N 2.97Å; Q151-I153 PolarHBondContact O-N 3.16Å; I153-R155 VanDerWaalsContact C-N 3.33Å; I153-Y258 HydrophobicContact CG2-CD1 3.78Å; I153-Y258 HydrophobicContact CG2-CD2 4.1Å; I153-Y258 HydrophobicContact CG2-CE1 3.89Å; I153-Y258 HydrophobicContact CG2-CE2 4.2Å; I153-Y258 HydrophobicContact CG2-CG 3.88Å
154G89.3Confident92.2Very high30 Ų3035.2 Ų35.231%0.30921%0.211SC..THydrogen-bonded Turntrans-86.6-0.6178.600000114.4Q151 F152 E156Q151-G154 PolarHBondContact O-N 2.94Å; F152-G154 PolarHBondContact O-N 2.99Å; G154-E156 PolarHBondContact O-N 3.45Å
155R91.2Very high92.1Very high136 Ų13635.1 Ų35.151%0.51321%0.21SC..THydrogen-bonded Turntrans54.436.4-168.2-53.7-63-62.1147.8-0.5112.1I64 D65 Q151 F152 I153I64-R155 VanDerWaalsContact CG2-NH2 3.35Å; D65-R155 IonicContact OD1-CZ 3.79Å; D65-R155 IonicContact OD1-NH1 3.55Å; D65-R155 PolarHBondContact OD1-NH1 3.32Å; D65-R155 IonicContact OD1-NH2 3.35Å; D65-R155 PolarHBondContact OD1-NH2 3.07Å; D65-R155 IonicContact OD2-NH1 3.04Å; D65-R155 PolarHBondContact OD2-NH1 3.42Å; Q151-R155 PolarHBondContact O-N 2.91Å; F152-R155 PolarHBondContact O-N 3.41Å; I153-R155 VanDerWaalsContact C-N 3.33Å
156E90.9Very high92Very high56 Ų5638.1 Ų38.126%0.26223%0.226SC..  trans-88.9145.9-175-64166.1101.500110.8Q151 G154 L251 A252Q151-E156 HydrophobicContact CB-CB 4.2Å; Q151-E156 WeakPolarHBondContact CG-O 3.29Å; Q151-E156 PolarHBondContact O-N 3.46Å; G154-E156 PolarHBondContact O-N 3.45Å; E156-L251 HydrophobicContact CB-CD2 4.32Å; E156-A252 PolarHBondContact OE1-N 3.48Å; E156-A252 WeakPolarHBondContact OE2-CB 3.37Å; E156-A252 PolarHBondContact OE2-N 3.21Å
157S87.7Confident91.9Very high96 Ų9642 Ų4267%0.67125%0.249SC*.  trans-112.838.2178.264.80000112.1C160S157-C160 PolarHBondContact O-SG 2.99Å
158K88.9Confident91.8Very high40 Ų4043 Ų4317%0.17426%0.255CS..  trans-77.5-29.2-171.7-174.2175.1-176.5-178.90113.9T168 E172 C249 G250 L251K158-T168 HydrophobicContact CD-CG2 4.39Å; K158-T168 HydrophobicContact CG-CG2 3.88Å; K158-E172 VanDerWaalsContact CE-CD 3.41Å; K158-E172 WeakPolarHBondContact CE-OE1 3.14Å; K158-E172 WeakPolarHBondContact CE-OE2 3.48Å; K158-E172 IonicContact NZ-OE1 2.6Å; K158-E172 PolarHBondContact NZ-OE1 3.29Å; K158-E172 IonicContact NZ-OE2 3.51Å; K158-E172 PolarHBondContact NZ-OE2 3.09Å; K158-C249 PolarHBondContact NZ-O 3.44Å; K158-G250 PolarHBondContact NZ-O 3.41Å; K158-L251 HydrophobicContact CB-CD2 4.23Å; K158-L251 HydrophobicContact CD-CD2 4.03Å
159Y88.3Confident91.8Very high4 Ų442.7 Ų42.72%0.01625%0.253CS..  trans-115.969.8-175.5-62.2-68.1000110R147 G161 S165 T168 I169 L251R147-Y159 HydrophobicContact CB-CD2 3.89Å; R147-Y159 HydrophobicContact CB-CE2 3.7Å; R147-Y159 HydrophobicContact CB-CG 4.42Å; R147-Y159 HydrophobicContact CG-CE2 4.46Å; Y159-G161 PolarHBondContact O-N 3.19Å; Y159-S165 WeakPolarHBondContact CA-OG 3.34Å; Y159-S165 WeakPolarHBondContact CB-OG 3.16Å; Y159-T168 HydrophobicContact CE1-CG2 4.1Å; Y159-I169 HydrophobicContact CE1-CD1 4.23Å; Y159-I169 HydrophobicContact CE1-CG1 3.74Å; Y159-L251 HydrophobicContact CD2-CD1 4.14Å; Y159-L251 HydrophobicContact CD2-CD2 4.08Å; Y159-L251 HydrophobicContact CD2-CG 4.45Å; Y159-L251 HydrophobicContact CE2-CD1 3.68Å; Y159-L251 HydrophobicContact CE2-CD2 3.72Å; Y159-L251 HydrophobicContact CE2-CG 3.76Å
160C81.6Confident91.8Very high82 Ų8249.6 Ų49.655%0.55428%0.28SS*.  trans-91.374.5-177.1-74.20000111.1S157 D164S157-C160 PolarHBondContact O-SG 2.99Å; C160-D164 PolarHBondContact N-OD2 2.98Å; C160-D164 VanDerWaalsContact N-OD2 3.16Å; C160-D164 WeakPolarHBondContact O-CB 3.35Å
161G86.9Confident91.8Very high45 Ų4559.6 Ų59.646%0.46432%0.318SS..SBendtrans95.2169.4179.700000113.3Y159 S165Y159-G161 PolarHBondContact O-N 3.19Å; G161-S165 VanDerWaalsContact O-CB 3.3Å; G161-S165 WeakPolarHBondContact O-CB 3.48Å; G161-S165 PolarHBondContact O-N 3.48Å; G161-S165 PolarHBondContact O-OG 3.26Å
162L91.4Very high91.7Very high32 Ų3263.7 Ų63.717%0.16834%0.337CS..Hα-helixtrans-67.6-52-166.5177.763.6000113T75 P76 F141 I144 S165 I166T75-L162 HydrophobicContact CG2-CB 4.49Å; P76-L162 HydrophobicContact CB-CD1 3.91Å; F141-L162 HydrophobicContact CD1-CD1 3.84Å; F141-L162 HydrophobicContact CE1-CD1 3.97Å; F141-L162 HydrophobicContact CE1-CD2 4.11Å; I144-L162 HydrophobicContact CD1-CD1 3.97Å; I144-L162 HydrophobicContact CG2-CD1 4.43Å; L162-S165 PolarHBondContact O-N 2.71Å; L162-I166 HydrophobicContact CD1-CD1 4.12Å; L162-I166 HydrophobicContact CG-CD1 4.1Å; L162-I166 WeakPolarHBondContact O-CG1 3.35Å; L162-I166 PolarHBondContact O-N 2.83Å
163C92.9Very high91.7Very high98 Ų9866.1 Ų66.166%0.66235%0.349SS*.Hα-helixtrans-66.3-43.3-176.3-59.40000112.1S165 I166 V167C163-S165 VanDerWaalsContact C-N 3.31Å; C163-S165 PolarHBondContact O-N 2.94Å; C163-I166 PolarHBondContact O-N 3.03Å; C163-V167 WeakPolarHBondContact O-CG2 3.39Å; C163-V167 PolarHBondContact O-N 3.25Å
164D93Very high91.8Very high72 Ų7266.8 Ų66.839%0.38536%0.358SS..Hα-helixtrans-56.8-47.1174.4-178.465.2000110.7C160 I166 V167 T168C160-D164 PolarHBondContact N-OD2 2.98Å; C160-D164 VanDerWaalsContact N-OD2 3.16Å; C160-D164 WeakPolarHBondContact O-CB 3.35Å; D164-I166 VanDerWaalsContact C-N 3.34Å; D164-I166 PolarHBondContact O-N 3.41Å; D164-V167 PolarHBondContact O-N 3Å; D164-T168 WeakPolarHBondContact O-CB 3.42Å; D164-T168 PolarHBondContact O-N 3.22Å; D164-T168 PolarHBondContact O-OG1 2.82Å; D164-T168 VanDerWaalsContact O-OG1 3.05Å
165S94.3Very high92.1Very high0 Ų070.5 Ų70.50%037%0.369CS..Hα-helixtrans-60.3-41.3177-58.20000113.2Y159 G161 L162 C163 T168 I169Y159-S165 WeakPolarHBondContact CA-OG 3.34Å; Y159-S165 WeakPolarHBondContact CB-OG 3.16Å; G161-S165 VanDerWaalsContact O-CB 3.3Å; G161-S165 WeakPolarHBondContact O-CB 3.48Å; G161-S165 PolarHBondContact O-N 3.48Å; G161-S165 PolarHBondContact O-OG 3.26Å; L162-S165 PolarHBondContact O-N 2.71Å; C163-S165 VanDerWaalsContact C-N 3.31Å; C163-S165 PolarHBondContact O-N 2.94Å; S165-T168 PolarHBondContact O-N 3.24Å; S165-I169 VanDerWaalsContact O-CG1 3.23Å; S165-I169 WeakPolarHBondContact O-CG1 3.42Å; S165-I169 PolarHBondContact O-N 2.91Å
166I95.3Very high92.1Very high67 Ų6771 Ų7134%0.34438%0.382SS..Hα-helixtrans-62.1-47.4176.7-68164.8000110.2I144 L162 C163 D164 T168 I169 Y170 F178I144-I166 HydrophobicContact CD1-CD1 4.43Å; I144-I166 HydrophobicContact CD1-CG1 3.58Å; L162-I166 HydrophobicContact CD1-CD1 4.12Å; L162-I166 HydrophobicContact CG-CD1 4.1Å; L162-I166 WeakPolarHBondContact O-CG1 3.35Å; L162-I166 PolarHBondContact O-N 2.83Å; C163-I166 PolarHBondContact O-N 3.03Å; D164-I166 VanDerWaalsContact C-N 3.34Å; D164-I166 PolarHBondContact O-N 3.41Å; I166-T168 PolarHBondContact O-N 3.29Å; I166-I169 PolarHBondContact O-N 2.83Å; I166-Y170 WeakPolarHBondContact O-CB 3.41Å; I166-Y170 PolarHBondContact O-N 2.97Å; I166-F178 HydrophobicContact CB-CZ 4.49Å; I166-F178 HydrophobicContact CG1-CE1 4.45Å; I166-F178 HydrophobicContact CG2-CE1 4.42Å; I166-F178 HydrophobicContact CG2-CZ 4.03Å; I166-F178 WeakPolarHBondContact O-CZ 3.27Å
167V95.4Very high92.2Very high80 Ų8068.5 Ų68.549%0.48537%0.371SS..Hα-helixtrans-62.2-45.2180173.50000110.7C163 D164 Y170 R171C163-V167 WeakPolarHBondContact O-CG2 3.39Å; C163-V167 PolarHBondContact O-N 3.25Å; D164-V167 PolarHBondContact O-N 3Å; V167-Y170 PolarHBondContact O-N 3.36Å; V167-R171 HydrophobicContact CG1-CG 4.32Å; V167-R171 WeakPolarHBondContact O-CB 3.31Å; V167-R171 VanDerWaalsContact O-CG 3.3Å; V167-R171 WeakPolarHBondContact O-CG 3.44Å; V167-R171 PolarHBondContact O-N 3.35Å
168T94.3Very high92.6Very high23 Ų2364.9 Ų64.914%0.14134%0.343CS..Hα-helixtrans-61.6-48.8180-61.30000111.8K158 Y159 D164 S165 I166 Y170 R171 E172K158-T168 HydrophobicContact CD-CG2 4.39Å; K158-T168 HydrophobicContact CG-CG2 3.88Å; Y159-T168 HydrophobicContact CE1-CG2 4.1Å; D164-T168 WeakPolarHBondContact O-CB 3.42Å; D164-T168 PolarHBondContact O-N 3.22Å; D164-T168 PolarHBondContact O-OG1 2.82Å; D164-T168 VanDerWaalsContact O-OG1 3.05Å; S165-T168 PolarHBondContact O-N 3.24Å; I166-T168 PolarHBondContact O-N 3.29Å; T168-Y170 PolarHBondContact O-N 2.73Å; T168-R171 PolarHBondContact O-N 3.35Å; T168-E172 WeakPolarHBondContact O-CB 3.19Å; T168-E172 WeakPolarHBondContact O-CG 3.48Å; T168-E172 PolarHBondContact O-N 3.22Å
169I95.3Very high92.9Very high0 Ų066.8 Ų66.80%035%0.352CS..Hα-helixtrans-61.5-45.5178-63.6174.8000110.6V143 I144 Y159 S165 I166 R171 E172 E173 G174 F178V143-I169 HydrophobicContact CG1-CD1 4.46Å; I144-I169 HydrophobicContact CG1-CD1 3.66Å; Y159-I169 HydrophobicContact CE1-CD1 4.23Å; Y159-I169 HydrophobicContact CE1-CG1 3.74Å; S165-I169 VanDerWaalsContact O-CG1 3.23Å; S165-I169 WeakPolarHBondContact O-CG1 3.42Å; S165-I169 PolarHBondContact O-N 2.91Å; I166-I169 PolarHBondContact O-N 2.83Å; I169-R171 VanDerWaalsContact C-N 3.32Å; I169-R171 PolarHBondContact O-N 3.25Å; I169-E172 PolarHBondContact O-N 3.47Å; I169-E173 PolarHBondContact O-N 3.44Å; I169-G174 PolarHBondContact O-N 3.27Å; I169-F178 HydrophobicContact CB-CD1 4.46Å; I169-F178 HydrophobicContact CB-CE1 3.81Å; I169-F178 HydrophobicContact CB-CE2 4.18Å; I169-F178 HydrophobicContact CB-CZ 3.66Å; I169-F178 HydrophobicContact CD1-CD1 4.27Å; I169-F178 HydrophobicContact CD1-CE1 3.95Å; I169-F178 HydrophobicContact CG1-CE1 4.45Å; I169-F178 HydrophobicContact CG2-CD1 3.96Å; I169-F178 HydrophobicContact CG2-CD2 3.92Å; I169-F178 HydrophobicContact CG2-CE1 3.77Å; I169-F178 HydrophobicContact CG2-CE2 3.72Å; I169-F178 HydrophobicContact CG2-CG 4.05Å; I169-F178 HydrophobicContact CG2-CZ 3.65Å
170Y95.6Very high93.2Very high144 Ų14467.8 Ų67.857%0.56536%0.36SS*.Hα-helixtrans-63.2-38-179-176.3-99.4000112.6I166 V167 T168 G174 I175 F178I166-Y170 WeakPolarHBondContact O-CB 3.41Å; I166-Y170 PolarHBondContact O-N 2.97Å; V167-Y170 PolarHBondContact O-N 3.36Å; T168-Y170 PolarHBondContact O-N 2.73Å; Y170-G174 VanDerWaalsContact O-CA 3.23Å; Y170-G174 WeakPolarHBondContact O-CA 3.43Å; Y170-G174 PolarHBondContact O-N 3.37Å; Y170-I175 HydrophobicContact CD2-CG1 4.28Å; Y170-I175 HydrophobicContact CE2-CD1 4.48Å; Y170-I175 HydrophobicContact CE2-CG1 3.88Å; Y170-F178 HydrophobicContact CD2-CE2 4.46Å
171R94.7Very high93.9Very high210 Ų21064.3 Ų64.379%0.79234%0.338SS*.Hα-helixtrans-74.3-34.5-179.9-72.6-173.775-178.53.2113.4V167 T168 I169V167-R171 HydrophobicContact CG1-CG 4.32Å; V167-R171 WeakPolarHBondContact O-CB 3.31Å; V167-R171 VanDerWaalsContact O-CG 3.3Å; V167-R171 WeakPolarHBondContact O-CG 3.44Å; V167-R171 PolarHBondContact O-N 3.35Å; T168-R171 PolarHBondContact O-N 3.35Å; I169-R171 VanDerWaalsContact C-N 3.32Å; I169-R171 PolarHBondContact O-N 3.25Å
172E93.6Very high94.4Very high108 Ų10863.3 Ų63.351%0.50532%0.322SS..Hα-helixtrans-93.5-38.9-174.1-66.5-178.8179.500113.6K158 T168 I169K158-E172 VanDerWaalsContact CE-CD 3.41Å; K158-E172 WeakPolarHBondContact CE-OE1 3.14Å; K158-E172 WeakPolarHBondContact CE-OE2 3.48Å; K158-E172 IonicContact NZ-OE1 2.6Å; K158-E172 PolarHBondContact NZ-OE1 3.29Å; K158-E172 IonicContact NZ-OE2 3.51Å; K158-E172 PolarHBondContact NZ-OE2 3.09Å; T168-E172 WeakPolarHBondContact O-CB 3.19Å; T168-E172 WeakPolarHBondContact O-CG 3.48Å; T168-E172 PolarHBondContact O-N 3.22Å; I169-E172 PolarHBondContact O-N 3.47Å
173E93.3Very high94.7Very high56 Ų5665.4 Ų65.426%0.26234%0.336SS..THydrogen-bonded Turntrans-119.8-9.2-173.3-65.7173.5-134.400113R147 I169 G177 C249R147-E173 IonicContact CZ-OE1 2.57Å; R147-E173 IonicContact CZ-OE2 2.72Å; R147-E173 IonicContact NH1-OE1 2.77Å; R147-E173 PolarHBondContact NH1-OE1 3.34Å; R147-E173 IonicContact NH1-OE2 3.84Å; R147-E173 PolarHBondContact NH1-OE2 2.69Å; R147-E173 VanDerWaalsContact NH1-OE2 3.13Å; R147-E173 IonicContact NH2-OE1 3.31Å; R147-E173 PolarHBondContact NH2-OE1 2.9Å; R147-E173 IonicContact NH2-OE2 3.02Å; R147-E173 PolarHBondContact NH2-OE2 3.03Å; I169-E173 PolarHBondContact O-N 3.44Å; E173-G177 WeakPolarHBondContact OE2-CA 3.46Å; E173-C249 VanDerWaalsContact OE1-CA 3.28Å; E173-C249 WeakPolarHBondContact OE1-CA 3.33Å; E173-C249 WeakPolarHBondContact OE1-CB 3.44Å
174G94.2Very high94.9Very high24 Ų2460.8 Ų60.825%0.24731%0.305CS..Hα-helixtrans67.5-156.2-174.300000112.9I169 Y170 L176 G177I169-G174 PolarHBondContact O-N 3.27Å; Y170-G174 VanDerWaalsContact O-CA 3.23Å; Y170-G174 WeakPolarHBondContact O-CA 3.43Å; Y170-G174 PolarHBondContact O-N 3.37Å; G174-L176 VanDerWaalsContact C-N 3.3Å; G174-L176 PolarHBondContact O-N 3.04Å; G174-G177 PolarHBondContact O-N 3.4Å
175I94.3Very high95Very high107 Ų10760.1 Ų60.155%0.54930%0.297SS..Hα-helixtrans-69.3-31.8-176.1-60.5165.4000111.3Y170 G177 F178 F179Y170-I175 HydrophobicContact CD2-CG1 4.28Å; Y170-I175 HydrophobicContact CE2-CD1 4.48Å; Y170-I175 HydrophobicContact CE2-CG1 3.88Å; I175-G177 VanDerWaalsContact C-N 3.26Å; I175-G177 PolarHBondContact O-N 2.87Å; I175-F178 PolarHBondContact O-N 3.38Å; I175-F179 HydrophobicContact CG2-CD2 4.15Å; I175-F179 HydrophobicContact CG2-CE2 3.85Å; I175-F179 WeakPolarHBondContact O-CD2 3.49Å
176L93Very high95.2Very high148 Ų14861.8 Ų61.878%0.77531%0.306SS*.Hα-helixtrans-64.9-29.7-178-65.3176000112.5G174 F178 F179 A180G174-L176 VanDerWaalsContact C-N 3.3Å; G174-L176 PolarHBondContact O-N 3.04Å; L176-F178 VanDerWaalsContact C-N 3.27Å; L176-F178 PolarHBondContact O-N 3.15Å; L176-F179 PolarHBondContact O-N 3.38Å; L176-A180 PolarHBondContact O-N 3.46Å
177G92.9Very high95.3Very high3 Ų361.7 Ų61.73%0.03131%0.306CS..Hα-helixtrans-58.8-36.8176.400000113.2R147 E173 G174 I175 F179 A180R147-G177 PolarHBondContact NH2-O 3.34Å; E173-G177 WeakPolarHBondContact OE2-CA 3.46Å; G174-G177 PolarHBondContact O-N 3.4Å; I175-G177 VanDerWaalsContact C-N 3.26Å; I175-G177 PolarHBondContact O-N 2.87Å; G177-F179 PolarHBondContact O-N 2.69Å; G177-A180 WeakPolarHBondContact O-CB 3.44Å; G177-A180 PolarHBondContact O-N 2.89Å
178F95.3Very high95.3Very high20 Ų2058 Ų589%0.08828%0.284CS..THydrogen-bonded Turntrans-70.1-20.2177.1-63.9-76.9000113.9H139 P140 V143 I144 I166 I169 Y170 I175 L176H139-F178 PolarHBondContact CD2-O 3.04Å; P140-F178 HydrophobicContact CB-CB 4.01Å; P140-F178 HydrophobicContact CB-CD1 3.89Å; P140-F178 HydrophobicContact CB-CG 4.28Å; P140-F178 HydrophobicContact CG-CB 4.17Å; V143-F178 WeakPolarHBondContact CG2-O 3.34Å; I144-F178 HydrophobicContact CD1-CE1 4.28Å; I166-F178 HydrophobicContact CB-CZ 4.49Å; I166-F178 HydrophobicContact CG1-CE1 4.45Å; I166-F178 HydrophobicContact CG2-CE1 4.42Å; I166-F178 HydrophobicContact CG2-CZ 4.03Å; I166-F178 WeakPolarHBondContact O-CZ 3.27Å; I169-F178 HydrophobicContact CB-CD1 4.46Å; I169-F178 HydrophobicContact CB-CE1 3.81Å; I169-F178 HydrophobicContact CB-CE2 4.18Å; I169-F178 HydrophobicContact CB-CZ 3.66Å; I169-F178 HydrophobicContact CD1-CD1 4.27Å; I169-F178 HydrophobicContact CD1-CE1 3.95Å; I169-F178 HydrophobicContact CG1-CE1 4.45Å; I169-F178 HydrophobicContact CG2-CD1 3.96Å; I169-F178 HydrophobicContact CG2-CD2 3.92Å; I169-F178 HydrophobicContact CG2-CE1 3.77Å; I169-F178 HydrophobicContact CG2-CE2 3.72Å; I169-F178 HydrophobicContact CG2-CG 4.05Å; I169-F178 HydrophobicContact CG2-CZ 3.65Å; Y170-F178 HydrophobicContact CD2-CE2 4.46Å; I175-F178 PolarHBondContact O-N 3.38Å; L176-F178 VanDerWaalsContact C-N 3.27Å; L176-F178 PolarHBondContact O-N 3.15Å
179F95.5Very high95.3Very high80 Ų8058.8 Ų58.835%0.35129%0.287SS..THydrogen-bonded Turntrans-105.37.5-178.3-64.7-72.1000113.2P140 I175 L176 G177 G181 L182P140-F179 HydrophobicContact CG-CE1 4.48Å; I175-F179 HydrophobicContact CG2-CD2 4.15Å; I175-F179 HydrophobicContact CG2-CE2 3.85Å; I175-F179 WeakPolarHBondContact O-CD2 3.49Å; L176-F179 PolarHBondContact O-N 3.38Å; G177-F179 PolarHBondContact O-N 2.69Å; F179-G181 PolarHBondContact O-N 3.37Å; F179-L182 HydrophobicContact CB-CB 4.49Å; F179-L182 HydrophobicContact CD1-CD2 3.77Å; F179-L182 HydrophobicContact CE1-CD2 4.5Å; F179-L182 WeakPolarHBondContact O-CB 3.41Å; F179-L182 PolarHBondContact O-N 3.48Å
180A95.1Very high95.4Very high24 Ų2461 Ų6120%0.19830%0.298CS..THydrogen-bonded Turntrans-57.4126173.400000110.6H139 L176 G177 L182H139-A180 PolarHBondContact CE1-O 2.9Å; H139-A180 PolarHBondContact NE2-O 2.89Å; L176-A180 PolarHBondContact O-N 3.46Å; G177-A180 WeakPolarHBondContact O-CB 3.44Å; G177-A180 PolarHBondContact O-N 2.89Å; A180-L182 VanDerWaalsContact C-N 3.33Å; A180-L182 PolarHBondContact O-N 3.21Å
181G95.4Very high95.4Very high9 Ų957.7 Ų57.79%0.09329%0.29CS..THydrogen-bonded Turntrans76.48.4-17800000116F179 P184 R185 S241F179-G181 PolarHBondContact O-N 3.37Å; G181-P184 WeakPolarHBondContact O-CD 3.5Å; G181-P184 WeakPolarHBondContact O-CG 3.3Å; G181-R185 PolarHBondContact O-N 3.44Å; G181-S241 WeakPolarHBondContact O-CB 3.12Å; G181-S241 PolarHBondContact O-OG 3.33Å
182L97.1Very high95.4Very high24 Ų2449 Ų4913%0.12626%0.261CS..Hα-helixtrans-63.9-45179.117767.7000112.6T135 L136 H139 F179 A180 R185 L186T135-L182 HydrophobicContact CG2-CD1 4.33Å; L136-L182 HydrophobicContact CD2-CD1 4.11Å; L136-L182 HydrophobicContact CD2-CD2 3.57Å; L136-L182 HydrophobicContact CD2-CG 4.38Å; H139-L182 HydrophobicContact CB-CD1 3.91Å; H139-L182 PolarHBondContact NE2-N 3.41Å; F179-L182 HydrophobicContact CB-CB 4.49Å; F179-L182 HydrophobicContact CD1-CD2 3.77Å; F179-L182 HydrophobicContact CE1-CD2 4.5Å; F179-L182 WeakPolarHBondContact O-CB 3.41Å; F179-L182 PolarHBondContact O-N 3.48Å; A180-L182 VanDerWaalsContact C-N 3.33Å; A180-L182 PolarHBondContact O-N 3.21Å; L182-R185 WeakPolarHBondContact O-CB 3.08Å; L182-R185 PolarHBondContact O-N 2.89Å; L182-R185 VanDerWaalsContact O-N 3.12Å; L182-L186 HydrophobicContact CD1-CD1 3.87Å; L182-L186 HydrophobicContact CD1-CD2 4.49Å; L182-L186 HydrophobicContact CD1-CG 3.9Å; L182-L186 HydrophobicContact CD2-CD1 4.17Å; L182-L186 HydrophobicContact CG-CD1 3.79Å; L182-L186 HydrophobicContact CG-CG 4.21Å; L182-L186 PolarHBondContact O-N 3.29Å
183V97.2Very high95.4Very high76 Ų7644 Ų4446%0.46124%0.238SC..Hα-helixtrans-57.2-56.7-176.6176.10000112.5R185 L186 L187 W265V183-R185 PolarHBondContact O-N 3.18Å; V183-L186 PolarHBondContact O-N 2.89Å; V183-L187 HydrophobicContact CG1-CD1 4.08Å; V183-L187 WeakPolarHBondContact O-CG 3.21Å; V183-L187 PolarHBondContact O-N 2.91Å; V183-W265 HydrophobicContact CG1-CZ2 4.34Å
184P97.1Very high95.4Very high2 Ų245.1 Ų45.11%0.01324%0.24CC..Hα-helixtrans-62.2-30.2176.824.8-35.1000112G181 G188 F237 V240 W265G181-P184 WeakPolarHBondContact O-CD 3.5Å; G181-P184 WeakPolarHBondContact O-CG 3.3Å; P184-G188 PolarHBondContact O-N 3.49Å; P184-F237 HydrophobicContact CB-CD1 4.39Å; P184-F237 WeakPolarHBondContact O-CB 3.43Å; P184-V240 HydrophobicContact CB-CB 4.46Å; P184-V240 HydrophobicContact CB-CG1 4.17Å; P184-V240 HydrophobicContact CG-CG1 4.2Å; P184-W265 HydrophobicContact CB-CE3 4.48Å; P184-W265 HydrophobicContact CG-CB 4.06Å; P184-W265 HydrophobicContact CG-CG 4.42Å
185R96.9Very high95.4Very high58 Ų5847.1 Ų47.122%0.21925%0.245CC..Hα-helixtrans-62.8-52.7175.6-174.855.5178.8-99.7-5.3112.1T135 H142 G181 L182 V183 L187 G188 D189 S241T135-R185 HydrophobicContact CG2-CG 3.89Å; H142-R185 PolarHBondContact CE1-NH1 3.39Å; H142-R185 PolarHBondContact NE2-NH1 2.88Å; G181-R185 PolarHBondContact O-N 3.44Å; L182-R185 WeakPolarHBondContact O-CB 3.08Å; L182-R185 PolarHBondContact O-N 2.89Å; L182-R185 VanDerWaalsContact O-N 3.12Å; V183-R185 PolarHBondContact O-N 3.18Å; R185-L187 PolarHBondContact O-N 3.02Å; R185-G188 PolarHBondContact O-N 3.41Å; R185-D189 IonicContact NE-OD1 3.13Å; R185-D189 PolarHBondContact NE-OD1 2.92Å; R185-D189 IonicContact NE-OD2 2.7Å; R185-D189 PolarHBondContact NE-OD2 3.41Å; R185-D189 PolarHBondContact O-N 3.05Å; R185-S241 WeakPolarHBondContact CB-OG 3.37Å
186L97.4Very high95.3Very high34 Ų3443.2 Ų43.218%0.17823%0.226CC..Hα-helixtrans-61.6-44179.7-72.8173000111.3T135 L136 L182 V183 G188 D189 I190T135-L186 HydrophobicContact CG2-CD2 3.73Å; T135-L186 HydrophobicContact CG2-CG 4.4Å; L136-L186 HydrophobicContact CD2-CD1 4.12Å; L182-L186 HydrophobicContact CD1-CD1 3.87Å; L182-L186 HydrophobicContact CD1-CD2 4.49Å; L182-L186 HydrophobicContact CD1-CG 3.9Å; L182-L186 HydrophobicContact CD2-CD1 4.17Å; L182-L186 HydrophobicContact CG-CD1 3.79Å; L182-L186 HydrophobicContact CG-CG 4.21Å; L182-L186 PolarHBondContact O-N 3.29Å; V183-L186 PolarHBondContact O-N 2.89Å; L186-G188 VanDerWaalsContact C-N 3.35Å; L186-G188 PolarHBondContact O-N 2.98Å; L186-D189 PolarHBondContact O-N 3.16Å; L186-I190 WeakPolarHBondContact O-CB 3.5Å; L186-I190 WeakPolarHBondContact O-CD1 3.44Å; L186-I190 WeakPolarHBondContact O-CG1 3.49Å; L186-I190 PolarHBondContact O-N 3.17Å
187L97.1Very high95.1Very high66 Ų6638.1 Ų38.135%0.34620%0.2SC..Hα-helixtrans-59.5-45.7175.8-70.3176.4000111.5V183 R185 I190 L191 F237 W265V183-L187 HydrophobicContact CG1-CD1 4.08Å; V183-L187 WeakPolarHBondContact O-CG 3.21Å; V183-L187 PolarHBondContact O-N 2.91Å; R185-L187 PolarHBondContact O-N 3.02Å; L187-I190 PolarHBondContact O-N 3.27Å; L187-L191 VanDerWaalsContact O-CB 3.27Å; L187-L191 WeakPolarHBondContact O-CB 3.25Å; L187-L191 WeakPolarHBondContact O-CG 3.33Å; L187-L191 PolarHBondContact O-N 3.47Å; L187-F237 HydrophobicContact CB-CD1 4Å; L187-F237 HydrophobicContact CB-CE1 3.95Å; L187-F237 HydrophobicContact CD1-CE1 4.33Å; L187-W265 HydrophobicContact CD1-CH2 4.17Å; L187-W265 HydrophobicContact CD1-CZ2 4.26Å
188G96.1Very high94.9Very high2 Ų240.7 Ų40.72%0.02122%0.217CC..Hα-helixtrans-60.7-46.3176.600000112.9P184 R185 L186 S192P184-G188 PolarHBondContact O-N 3.49Å; R185-G188 PolarHBondContact O-N 3.41Å; L186-G188 VanDerWaalsContact C-N 3.35Å; L186-G188 PolarHBondContact O-N 2.98Å; G188-S192 WeakPolarHBondContact O-CB 3.27Å; G188-S192 PolarHBondContact O-N 3.3Å
189D95Very high94.5Very high39 Ų3942.6 Ų42.621%0.20923%0.228CC..Hα-helixtrans-64.4-44.2-180-70.5-15.6000111.4T135 R185 L186 L193T135-D189 PolarHBondContact OG1-OD2 3.29Å; R185-D189 IonicContact NE-OD1 3.13Å; R185-D189 PolarHBondContact NE-OD1 2.92Å; R185-D189 IonicContact NE-OD2 2.7Å; R185-D189 PolarHBondContact NE-OD2 3.41Å; R185-D189 PolarHBondContact O-N 3.05Å; L186-D189 PolarHBondContact O-N 3.16Å; D189-L193 WeakPolarHBondContact O-CB 3.16Å; D189-L193 PolarHBondContact O-N 2.98Å
190I96Very high94.1Very high47 Ų4739 Ų3924%0.24121%0.214CC..Hα-helixtrans-64.3-52.2177.6-69.9167.7000110.6M128 L186 L187 S192 L193 W194M128-I190 HydrophobicContact CE-CG2 3.78Å; M128-I190 HydrophobicContact CG-CD1 4.48Å; M128-I190 HydrophobicContact CG-CG1 3.82Å; M128-I190 HydrophobicContact CG-CG2 4.26Å; M128-I190 HydrophobicContact SD-CD1 4.31Å; M128-I190 HydrophobicContact SD-CG1 4.22Å; M128-I190 HydrophobicContact SD-CG2 4.27Å; L186-I190 WeakPolarHBondContact O-CB 3.5Å; L186-I190 WeakPolarHBondContact O-CD1 3.44Å; L186-I190 WeakPolarHBondContact O-CG1 3.49Å; L186-I190 PolarHBondContact O-N 3.17Å; L187-I190 PolarHBondContact O-N 3.27Å; I190-S192 VanDerWaalsContact C-N 3.29Å; I190-S192 PolarHBondContact O-N 2.8Å; I190-L193 PolarHBondContact O-N 2.91Å; I190-W194 VanDerWaalsContact O-CD1 3.26Å; I190-W194 PolarHBondContact O-N 3.42Å
191L95.8Very high93.6Very high75 Ų7541 Ų4139%0.39322%0.217SC..Hα-helixtrans-60.3-42.1-179.8-71.2171.8000111.1L187 L193 W194 L195 T234 F237L187-L191 VanDerWaalsContact O-CB 3.27Å; L187-L191 WeakPolarHBondContact O-CB 3.25Å; L187-L191 WeakPolarHBondContact O-CG 3.33Å; L187-L191 PolarHBondContact O-N 3.47Å; L191-L193 PolarHBondContact O-N 3.05Å; L191-W194 PolarHBondContact O-N 2.75Å; L191-L195 VanDerWaalsContact O-CB 3.27Å; L191-L195 WeakPolarHBondContact O-CB 3.41Å; L191-L195 WeakPolarHBondContact O-CG 3.42Å; L191-L195 PolarHBondContact O-N 3.23Å; L191-T234 HydrophobicContact CB-CG2 3.94Å; L191-F237 HydrophobicContact CD1-CD2 4.4Å; L191-F237 HydrophobicContact CD1-CE1 4.39Å; L191-F237 HydrophobicContact CD1-CE2 3.66Å; L191-F237 HydrophobicContact CD1-CZ 3.65Å
192S94.4Very high93Very high26 Ų2644.4 Ų44.418%0.18223%0.232CC..Hα-helixtrans-62.6-44.2179.5-169.70000111.4G188 I190 C196G188-S192 WeakPolarHBondContact O-CB 3.27Å; G188-S192 PolarHBondContact O-N 3.3Å; I190-S192 VanDerWaalsContact C-N 3.29Å; I190-S192 PolarHBondContact O-N 2.8Å; S192-C196 WeakPolarHBondContact O-CB 3.4Å; S192-C196 PolarHBondContact O-N 3.43Å
193L94.2Very high92.4Very high3 Ų345.7 Ų45.72%0.01624%0.241CC..Hα-helixtrans-61.2-49.8177.2174.665.3000111.7T124 E127 M128 D189 I190 L191 C196 N197T124-L193 HydrophobicContact CG2-CD2 4.39Å; T124-L193 HydrophobicContact CG2-CG 4.17Å; E127-L193 HydrophobicContact CB-CD1 4.47Å; E127-L193 HydrophobicContact CB-CD2 4.17Å; E127-L193 HydrophobicContact CG-CD1 3.8Å; E127-L193 HydrophobicContact CG-CD2 4.02Å; M128-L193 VanDerWaalsContact CA-CD2 3.44Å; M128-L193 HydrophobicContact CB-CD2 3.76Å; M128-L193 HydrophobicContact CG-CD2 4.43Å; D189-L193 WeakPolarHBondContact O-CB 3.16Å; D189-L193 PolarHBondContact O-N 2.98Å; I190-L193 PolarHBondContact O-N 2.91Å; L191-L193 PolarHBondContact O-N 3.05Å; L193-C196 PolarHBondContact O-N 3.42Å; L193-N197 WeakPolarHBondContact O-CB 3.39Å; L193-N197 PolarHBondContact O-N 2.84Å
194W94.3Very high91.5Very high81 Ų8144.2 Ų44.231%0.30723%0.23SC..Hα-helixtrans-66.4-41-178.7-82.577.4000112.3I121 T124 M128 I190 L191 S198I121-W194 HydrophobicContact CG2-CH2 4.37Å; T124-W194 HydrophobicContact CG2-CD2 3.8Å; T124-W194 HydrophobicContact CG2-CE3 4.3Å; T124-W194 HydrophobicContact CG2-CG 4.07Å; T124-W194 HydrophobicContact CG2-CZ2 4.12Å; M128-W194 HydrophobicContact CE-CZ2 3.93Å; I190-W194 VanDerWaalsContact O-CD1 3.26Å; I190-W194 PolarHBondContact O-N 3.42Å; L191-W194 PolarHBondContact O-N 2.75Å; W194-S198 WeakPolarHBondContact O-CB 3.2Å; W194-S198 PolarHBondContact O-N 3.47Å; W194-S198 PolarHBondContact O-OG 3.45Å
195L93.3Very high90.6Very high66 Ų6646.9 Ų46.935%0.34625%0.247SC..Hα-helixtrans-61.7-47.9174.2-73.8171.1000111L191 S198 L199 A230 L233 T234L191-L195 VanDerWaalsContact O-CB 3.27Å; L191-L195 WeakPolarHBondContact O-CB 3.41Å; L191-L195 WeakPolarHBondContact O-CG 3.42Å; L191-L195 PolarHBondContact O-N 3.23Å; L195-S198 PolarHBondContact O-N 2.92Å; L195-L199 VanDerWaalsContact O-CB 3.26Å; L195-L199 WeakPolarHBondContact O-CB 3.27Å; L195-L199 WeakPolarHBondContact O-CG 3.46Å; L195-L199 PolarHBondContact O-N 2.99Å; L195-A230 HydrophobicContact CB-CB 4.01Å; L195-L233 HydrophobicContact CD1-CD1 4.45Å; L195-T234 HydrophobicContact CD1-CG2 4.13Å
196C91.4Very high89.6Confident24 Ų2453.1 Ų53.116%0.16227%0.271CS..Hα-helixtrans-59-49.9178.6-177.80000111.5S192 L193 L199 A200 A230S192-C196 WeakPolarHBondContact O-CB 3.4Å; S192-C196 PolarHBondContact O-N 3.43Å; L193-C196 PolarHBondContact O-N 3.42Å; C196-L199 PolarHBondContact O-N 3.27Å; C196-A200 VanDerWaalsContact O-CB 3.24Å; C196-A200 WeakPolarHBondContact O-CB 3.46Å; C196-A200 PolarHBondContact O-N 3.49Å; C196-A230 HydrophobicContact CB-CB 4.05Å
197N89.8Confident88.2Confident41 Ų4154.4 Ų54.422%0.21929%0.287CS..Hα-helixtrans-70.1-36.7-177.5-74.1-2.1000112.5T124 L193 A200 Y201T124-N197 HydrophobicContact CG2-CB 4.21Å; T124-N197 WeakPolarHBondContact CG2-ND2 3.37Å; T124-N197 PolarHBondContact OG1-ND2 3.31Å; L193-N197 WeakPolarHBondContact O-CB 3.39Å; L193-N197 PolarHBondContact O-N 2.84Å; N197-A200 PolarHBondContact O-N 2.96Å; N197-Y201 WeakPolarHBondContact O-CB 3.35Å; N197-Y201 PolarHBondContact O-N 3.45Å
198S88.1Confident86.7Confident57 Ų5752.7 Ų52.740%0.39928%0.278SS..Hα-helixtrans-66.4-45.3175.1-56.40000111.2W194 L195 Y201 L202W194-S198 WeakPolarHBondContact O-CB 3.2Å; W194-S198 PolarHBondContact O-N 3.47Å; W194-S198 PolarHBondContact O-OG 3.45Å; L195-S198 PolarHBondContact O-N 2.92Å; S198-Y201 PolarHBondContact O-N 3.31Å; S198-L202 VanDerWaalsContact O-CG 3.32Å; S198-L202 WeakPolarHBondContact O-CG 3.26Å; S198-L202 PolarHBondContact O-N 3.49Å
199L88.1Confident85.1Confident60 Ų6059.8 Ų59.831%0.31432%0.315SS..Hα-helixtrans-64.1-42.8176-73.2170.6000111.4L195 C196 Y201 L202 V203 T226L195-L199 VanDerWaalsContact O-CB 3.26Å; L195-L199 WeakPolarHBondContact O-CB 3.27Å; L195-L199 WeakPolarHBondContact O-CG 3.46Å; L195-L199 PolarHBondContact O-N 2.99Å; C196-L199 PolarHBondContact O-N 3.27Å; L199-Y201 VanDerWaalsContact C-N 3.32Å; L199-Y201 PolarHBondContact O-N 3.28Å; L199-L202 PolarHBondContact O-N 3.19Å; L199-V203 VanDerWaalsContact O-CG2 3.31Å; L199-V203 WeakPolarHBondContact O-CG2 3.16Å; L199-V203 PolarHBondContact O-N 2.68Å; L199-T226 HydrophobicContact CB-CG2 3.63Å
200A85.4Confident83.1Confident6 Ų663.4 Ų63.45%0.0534%0.344CS..Hα-helixtrans-62-40.7176.300000111.5C196 N197 V203 N204 Q223C196-A200 VanDerWaalsContact O-CB 3.24Å; C196-A200 WeakPolarHBondContact O-CB 3.46Å; C196-A200 PolarHBondContact O-N 3.49Å; N197-A200 PolarHBondContact O-N 2.96Å; A200-V203 PolarHBondContact O-N 2.88Å; A200-N204 WeakPolarHBondContact O-CB 3.44Å; A200-N204 PolarHBondContact O-N 2.88Å; A200-N204 PolarHBondContact O-ND2 2.83Å; A200-Q223 HydrophobicContact CB-CG 4.42Å
201Y84.6Confident81.2Confident66 Ų6663.2 Ų63.226%0.25935%0.353SS..Hα-helixtrans-60.7-49173.2175.7-104.5000111.4F117 V120 N197 S198 L199 V203 N204 T205F117-Y201 HydrophobicContact CD2-CE1 4.09Å; V120-Y201 HydrophobicContact CG2-CD2 3.93Å; N197-Y201 WeakPolarHBondContact O-CB 3.35Å; N197-Y201 PolarHBondContact O-N 3.45Å; S198-Y201 PolarHBondContact O-N 3.31Å; L199-Y201 VanDerWaalsContact C-N 3.32Å; L199-Y201 PolarHBondContact O-N 3.28Å; Y201-V203 PolarHBondContact O-N 3.46Å; Y201-N204 PolarHBondContact O-N 3.05Å; Y201-T205 WeakPolarHBondContact O-CB 3.26Å; Y201-T205 PolarHBondContact O-N 3.39Å; Y201-T205 PolarHBondContact O-OG1 2.89Å
202L84.4Confident79.2Confident80 Ų8066 Ų6642%0.41937%0.374SS..Hα-helixtrans-58.9-45.7177.3-69.7172.3000112S198 L199 N204 T205 Y206S198-L202 VanDerWaalsContact O-CG 3.32Å; S198-L202 WeakPolarHBondContact O-CG 3.26Å; S198-L202 PolarHBondContact O-N 3.49Å; L199-L202 PolarHBondContact O-N 3.19Å; L202-N204 VanDerWaalsContact C-N 3.35Å; L202-N204 PolarHBondContact O-N 2.91Å; L202-T205 PolarHBondContact O-N 2.89Å; L202-Y206 HydrophobicContact CB-CD2 4.47Å; L202-Y206 HydrophobicContact CD2-CD2 4.13Å; L202-Y206 HydrophobicContact CD2-CE2 3.77Å; L202-Y206 WeakPolarHBondContact O-CB 3.21Å; L202-Y206 VanDerWaalsContact O-CD2 3.32Å; L202-Y206 WeakPolarHBondContact O-CD2 3.32Å; L202-Y206 PolarHBondContact O-N 3.36Å
203V83Confident77.3Confident51 Ų5170.4 Ų70.431%0.30940%0.404SS..Hα-helixtrans-64-42.2177.9176.50000110.8L199 A200 Y201 T205 A207 S222 T226L199-V203 VanDerWaalsContact O-CG2 3.31Å; L199-V203 WeakPolarHBondContact O-CG2 3.16Å; L199-V203 PolarHBondContact O-N 2.68Å; A200-V203 PolarHBondContact O-N 2.88Å; Y201-V203 PolarHBondContact O-N 3.46Å; V203-T205 PolarHBondContact O-N 3.09Å; V203-A207 HydrophobicContact CG1-CB 4.02Å; V203-A207 WeakPolarHBondContact O-CA 3.39Å; V203-A207 WeakPolarHBondContact O-CB 3.36Å; V203-A207 PolarHBondContact O-N 3.45Å; V203-S222 WeakPolarHBondContact CB-OG 3.23Å; V203-S222 WeakPolarHBondContact CG1-OG 3.37Å; V203-T226 HydrophobicContact CG2-CG2 4.13Å
204N79Confident75.6Confident44 Ų4474 Ų7424%0.23543%0.426CS..Hα-helixtrans-65.9-39179.1-68.4-29.8000112A200 Y201 L202 L208A200-N204 WeakPolarHBondContact O-CB 3.44Å; A200-N204 PolarHBondContact O-N 2.88Å; A200-N204 PolarHBondContact O-ND2 2.83Å; Y201-N204 PolarHBondContact O-N 3.05Å; L202-N204 VanDerWaalsContact C-N 3.35Å; L202-N204 PolarHBondContact O-N 2.91Å; N204-L208 HydrophobicContact CB-CD1 4.47Å; N204-L208 WeakPolarHBondContact O-CB 3.22Å; N204-L208 WeakPolarHBondContact OD1-CD1 3.45Å
205T78.4Confident74.1Confident58 Ų5874.2 Ų74.236%0.35643%0.432SS..Hα-helixtrans-76.1-39.6179.9-610000112.7Y201 L202 V203Y201-T205 WeakPolarHBondContact O-CB 3.26Å; Y201-T205 PolarHBondContact O-N 3.39Å; Y201-T205 PolarHBondContact O-OG1 2.89Å; L202-T205 PolarHBondContact O-N 2.89Å; V203-T205 PolarHBondContact O-N 3.09Å
206Y75.6Confident72.6Confident189 Ų18977.5 Ų77.574%0.74145%0.45SS*.Hα-helixtrans-96-26.2-174.3-72.9-76.9000114.8L202L202-Y206 HydrophobicContact CB-CD2 4.47Å; L202-Y206 HydrophobicContact CD2-CD2 4.13Å; L202-Y206 HydrophobicContact CD2-CE2 3.77Å; L202-Y206 WeakPolarHBondContact O-CB 3.21Å; L202-Y206 VanDerWaalsContact O-CD2 3.32Å; L202-Y206 WeakPolarHBondContact O-CD2 3.32Å; L202-Y206 PolarHBondContact O-N 3.36Å
207A68.8Low71.5Confident61 Ų6182.9 Ų82.950%0.50447%0.473SS..Hα-helixtrans-105.8-19.6-174.500000114.5V203V203-A207 HydrophobicContact CG1-CB 4.02Å; V203-A207 WeakPolarHBondContact O-CA 3.39Å; V203-A207 WeakPolarHBondContact O-CB 3.36Å; V203-A207 PolarHBondContact O-N 3.45Å
208L65.3Low70.4Confident30 Ų3085.6 Ų85.616%0.15749%0.485CS..SBendtrans-107.34.8-175.4-64.3177000114.5N204 S210 M218N204-L208 HydrophobicContact CB-CD1 4.47Å; N204-L208 WeakPolarHBondContact O-CB 3.22Å; N204-L208 WeakPolarHBondContact OD1-CD1 3.45Å; L208-S210 PolarHBondContact O-N 2.97Å; L208-M218 HydrophobicContact CD2-CB 4.2Å; L208-M218 HydrophobicContact CD2-CE 4.03Å; L208-M218 HydrophobicContact CD2-SD 4.3Å
209D61.3Low69.6Low151 Ų15187.3 Ų87.381%0.80749%0.485SS*.THydrogen-bonded Turntrans-74.17.1-178.4-13415.1000113.9
210S54.2Low69Low115 Ų11587.9 Ų87.980%0.80449%0.494SS*.THydrogen-bonded Turntrans-131.927.8-173.7620000116.6L208L208-S210 PolarHBondContact O-N 2.97Å
211G55.8Low68.8Low43 Ų4395.4 Ų95.444%0.44352%0.523SS..  trans178.8105.5171.400000116.2S213G211-S213 PolarHBondContact O-N 3.4Å
212V54.7Low68.5Low135 Ų13593 Ų9382%0.81852%0.516SS*.THydrogen-bonded Turntrans-76.7-4.8-165.3171.80000115.6
213S54.5Low68.4Low118 Ų11893.6 Ų93.683%0.82552%0.516SS*.THydrogen-bonded Turntrans-108.4-8.9-170.953.20000117G211G211-S213 PolarHBondContact O-N 3.4Å
214T58.2Low68.5Low78 Ų7894.2 Ų94.248%0.47953%0.527SS..SBendtrans-116.429.6-178.3-34.80000112.9M218T214-M218 HydrophobicContact CG2-CG 4.16Å; T214-M218 HydrophobicContact CG2-SD 4.06Å; T214-M218 WeakPolarHBondContact O-CB 3.38Å; T214-M218 VanDerWaalsContact O-CG 3.31Å; T214-M218 WeakPolarHBondContact O-CG 3.3Å
215M61.2Low68.9Low86 Ų8695.9 Ų95.942%0.42454%0.538SS..Hα-helixtrans-78.1-37.3-162.4-61.9-175.375.800115.2K219M215-K219 WeakPolarHBondContact O-CB 3.32Å; M215-K219 PolarHBondContact O-N 2.99Å
216N63.7Low69.3Low135 Ų13593.6 Ų93.672%0.72252%0.524SS*.Hα-helixtrans-77.8-38.9-170.8-72.5-19.7000113.6S220N216-S220 PolarHBondContact O-N 2.98Å; N216-S220 PolarHBondContact O-OG 3.06Å
217E67.8Low69.9Low137 Ų13785.7 Ų85.764%0.6450%0.5SS*.Hα-helixtrans-70.7-47.8176.2-65.6-173179.100110.6K219 S220 Y221E217-K219 VanDerWaalsContact C-N 3.28Å; E217-K219 PolarHBondContact O-N 3.44Å; E217-S220 WeakPolarHBondContact O-CB 3.32Å; E217-S220 PolarHBondContact O-N 3.13Å; E217-S220 VanDerWaalsContact O-N 3.09Å; E217-Y221 HydrophobicContact CB-CE2 4.32Å; E217-Y221 WeakPolarHBondContact O-CD2 3.37Å; E217-Y221 PolarHBondContact O-N 3.06Å
218M67.3Low70.9Confident97 Ų9789 Ų8948%0.47850%0.503SS..Hα-helixtrans-60.7-35.7177.2-71.2-178.476.600112.5L208 T214 Y221 S222L208-M218 HydrophobicContact CD2-CB 4.2Å; L208-M218 HydrophobicContact CD2-CE 4.03Å; L208-M218 HydrophobicContact CD2-SD 4.3Å; T214-M218 HydrophobicContact CG2-CG 4.16Å; T214-M218 HydrophobicContact CG2-SD 4.06Å; T214-M218 WeakPolarHBondContact O-CB 3.38Å; T214-M218 VanDerWaalsContact O-CG 3.31Å; T214-M218 WeakPolarHBondContact O-CG 3.3Å; M218-Y221 PolarHBondContact O-N 3.47Å; M218-S222 VanDerWaalsContact O-CB 3.25Å; M218-S222 WeakPolarHBondContact O-CB 3.41Å; M218-S222 PolarHBondContact O-N 2.91Å
219K69.9Low72.1Confident94 Ų9492.4 Ų92.441%0.40952%0.517SS..Hα-helixtrans-65.1-40.8174.5-173.5176.2-177.1-1780112.1M215 E217 S222 Q223M215-K219 WeakPolarHBondContact O-CB 3.32Å; M215-K219 PolarHBondContact O-N 2.99Å; E217-K219 VanDerWaalsContact C-N 3.28Å; E217-K219 PolarHBondContact O-N 3.44Å; K219-S222 PolarHBondContact O-N 3.5Å; K219-Q223 WeakPolarHBondContact O-CB 3.34Å; K219-Q223 WeakPolarHBondContact O-CG 3.4Å; K219-Q223 PolarHBondContact O-N 2.91Å
220S76.4Confident73.5Confident72 Ų7285.2 Ų85.250%0.50348%0.479SS..Hα-helixtrans-65.4-42.4177.1-57.90000111.6N216 E217 Q223 A224N216-S220 PolarHBondContact O-N 2.98Å; N216-S220 PolarHBondContact O-OG 3.06Å; E217-S220 WeakPolarHBondContact O-CB 3.32Å; E217-S220 PolarHBondContact O-N 3.13Å; E217-S220 VanDerWaalsContact O-N 3.09Å; S220-Q223 PolarHBondContact O-N 2.73Å; S220-A224 PolarHBondContact O-N 3.47Å
221Y79.7Confident75.2Confident164 Ų16482.4 Ų82.464%0.64346%0.459SS*.Hα-helixtrans-63.8-45.1173.7-72.6-67.3000112.2E217 M218 Q223 A224 V225E217-Y221 HydrophobicContact CB-CE2 4.32Å; E217-Y221 WeakPolarHBondContact O-CD2 3.37Å; E217-Y221 PolarHBondContact O-N 3.06Å; M218-Y221 PolarHBondContact O-N 3.47Å; Y221-Q223 VanDerWaalsContact C-N 3.35Å; Y221-Q223 PolarHBondContact O-N 3.42Å; Y221-A224 PolarHBondContact O-N 2.85Å; Y221-V225 WeakPolarHBondContact O-CG2 3.18Å; Y221-V225 PolarHBondContact O-N 3.48Å
222S80.3Confident76.9Confident16 Ų1684.5 Ų84.511%0.11246%0.458CS..Hα-helixtrans-58.3-45.3176.6173.20000111.8V203 M218 K219 A224 V225 T226V203-S222 WeakPolarHBondContact CB-OG 3.23Å; V203-S222 WeakPolarHBondContact CG1-OG 3.37Å; M218-S222 VanDerWaalsContact O-CB 3.25Å; M218-S222 WeakPolarHBondContact O-CB 3.41Å; M218-S222 PolarHBondContact O-N 2.91Å; K219-S222 PolarHBondContact O-N 3.5Å; S222-A224 PolarHBondContact O-N 3.38Å; S222-V225 PolarHBondContact O-N 2.87Å; S222-T226 WeakPolarHBondContact O-CB 3.29Å; S222-T226 VanDerWaalsContact O-CG2 3.3Å; S222-T226 WeakPolarHBondContact O-CG2 3.36Å; S222-T226 PolarHBondContact O-N 3.26Å; S222-T226 PolarHBondContact O-OG1 3.45Å
223Q81Confident78.7Confident91 Ų9183.5 Ų83.543%0.42545%0.448SS..Hα-helixtrans-63-40.2175.7-75.9-179.7-31.700112.5A200 K219 S220 Y221 T226 G227A200-Q223 HydrophobicContact CB-CG 4.42Å; K219-Q223 WeakPolarHBondContact O-CB 3.34Å; K219-Q223 WeakPolarHBondContact O-CG 3.4Å; K219-Q223 PolarHBondContact O-N 2.91Å; S220-Q223 PolarHBondContact O-N 2.73Å; Y221-Q223 VanDerWaalsContact C-N 3.35Å; Y221-Q223 PolarHBondContact O-N 3.42Å; Q223-T226 WeakPolarHBondContact CA-OG1 3.18Å; Q223-T226 PolarHBondContact O-OG1 2.84Å; Q223-T226 VanDerWaalsContact O-OG1 3.14Å; Q223-G227 PolarHBondContact O-N 3.46Å
224A85.4Confident80.6Confident65 Ų6578.3 Ų78.354%0.53741%0.411SS..Hα-helixtrans-64.4-44.4176.400000112S220 Y221 S222 F228S220-A224 PolarHBondContact O-N 3.47Å; Y221-A224 PolarHBondContact O-N 2.85Å; S222-A224 PolarHBondContact O-N 3.38Å; A224-F228 PolarHBondContact O-N 2.77Å
225V86.9Confident82.4Confident79 Ų7975.1 Ų75.148%0.47939%0.39SS..Hα-helixtrans-65.7-49.9179.2172.70000110.9Y221 S222 G227 F228 F229Y221-V225 WeakPolarHBondContact O-CG2 3.18Å; Y221-V225 PolarHBondContact O-N 3.48Å; S222-V225 PolarHBondContact O-N 2.87Å; V225-G227 VanDerWaalsContact C-N 3.31Å; V225-G227 PolarHBondContact O-N 3.14Å; V225-F228 WeakPolarHBondContact O-CB 3.46Å; V225-F228 PolarHBondContact O-N 2.94Å; V225-F228 VanDerWaalsContact O-N 3.16Å; V225-F229 HydrophobicContact CG1-CD2 3.79Å; V225-F229 HydrophobicContact CG1-CE2 3.61Å; V225-F229 VanDerWaalsContact O-CD2 3.22Å; V225-F229 WeakPolarHBondContact O-CD2 3.39Å; V225-F229 PolarHBondContact O-N 2.77Å
226T87.5Confident84Confident9 Ų972.1 Ų72.16%0.05538%0.377CS..Hα-helixtrans-62.4-38.5178.5520000111.9L199 V203 S222 Q223 F229 A230L199-T226 HydrophobicContact CB-CG2 3.63Å; V203-T226 HydrophobicContact CG2-CG2 4.13Å; S222-T226 WeakPolarHBondContact O-CB 3.29Å; S222-T226 VanDerWaalsContact O-CG2 3.3Å; S222-T226 WeakPolarHBondContact O-CG2 3.36Å; S222-T226 PolarHBondContact O-N 3.26Å; S222-T226 PolarHBondContact O-OG1 3.45Å; Q223-T226 WeakPolarHBondContact CA-OG1 3.18Å; Q223-T226 PolarHBondContact O-OG1 2.84Å; Q223-T226 VanDerWaalsContact O-OG1 3.14Å; T226-F229 PolarHBondContact O-N 3.32Å; T226-A230 WeakPolarHBondContact O-CB 3.39Å; T226-A230 PolarHBondContact O-N 3.2Å
227G89Confident85.6Confident23 Ų2367.2 Ų67.224%0.23735%0.349CS..Hα-helixtrans-62.5-41.3172.600000113.2Q223 V225 A230 S231Q223-G227 PolarHBondContact O-N 3.46Å; V225-G227 VanDerWaalsContact C-N 3.31Å; V225-G227 PolarHBondContact O-N 3.14Å; G227-A230 PolarHBondContact O-N 3.46Å; G227-S231 WeakPolarHBondContact O-CB 3.45Å; G227-S231 PolarHBondContact O-N 3.34Å; G227-S231 PolarHBondContact O-OG 2.9Å
228F89.7Confident87Confident130 Ų13062.6 Ų62.657%0.5733%0.331SS*.Hα-helixtrans-61-48.3174.7178.8-98.1000111.6A224 V225 A230 S231 M232A224-F228 PolarHBondContact O-N 2.77Å; V225-F228 WeakPolarHBondContact O-CB 3.46Å; V225-F228 PolarHBondContact O-N 2.94Å; V225-F228 VanDerWaalsContact O-N 3.16Å; F228-A230 PolarHBondContact O-N 3.34Å; F228-S231 PolarHBondContact O-N 3.48Å; F228-S231 PolarHBondContact O-OG 3.36Å; F228-M232 PolarHBondContact O-N 2.94Å
229F89.9Confident88.4Confident103 Ų10358 Ų5845%0.45231%0.308SS..Hα-helixtrans-61.6-44.7177-80.3-72.3000112.6V225 T226 S231 M232 L233V225-F229 HydrophobicContact CG1-CD2 3.79Å; V225-F229 HydrophobicContact CG1-CE2 3.61Å; V225-F229 VanDerWaalsContact O-CD2 3.22Å; V225-F229 WeakPolarHBondContact O-CD2 3.39Å; V225-F229 PolarHBondContact O-N 2.77Å; T226-F229 PolarHBondContact O-N 3.32Å; F229-S231 VanDerWaalsContact C-N 3.31Å; F229-S231 PolarHBondContact O-N 2.97Å; F229-M232 HydrophobicContact CD1-CE 4.32Å; F229-M232 PolarHBondContact O-N 3.41Å; F229-L233 WeakPolarHBondContact O-CG 3.32Å; F229-L233 PolarHBondContact O-N 3.47Å; F229-L233 VanDerWaalsContact O-N 3.09Å
230A91.1Very high89.7Confident0 Ų053.5 Ų53.50%029%0.288CS..Hα-helixtrans-57.9-45.3175.800000111.1L195 C196 T226 G227 F228 M232 L233 T234L195-A230 HydrophobicContact CB-CB 4.01Å; C196-A230 HydrophobicContact CB-CB 4.05Å; T226-A230 WeakPolarHBondContact O-CB 3.39Å; T226-A230 PolarHBondContact O-N 3.2Å; G227-A230 PolarHBondContact O-N 3.46Å; F228-A230 PolarHBondContact O-N 3.34Å; A230-M232 VanDerWaalsContact C-N 3.32Å; A230-M232 PolarHBondContact O-N 2.94Å; A230-L233 PolarHBondContact O-N 3.03Å; A230-T234 WeakPolarHBondContact O-CG2 3.32Å; A230-T234 PolarHBondContact O-N 3.2Å; A230-T234 PolarHBondContact O-OG1 3.47Å
231S90Very high90.7Very high55 Ų5550.1 Ų50.139%0.38526%0.264SS..Hα-helixtrans-64.7-33.8178.177.80000113.5G227 F228 F229 Y235G227-S231 WeakPolarHBondContact O-CB 3.45Å; G227-S231 PolarHBondContact O-N 3.34Å; G227-S231 PolarHBondContact O-OG 2.9Å; F228-S231 PolarHBondContact O-N 3.48Å; F228-S231 PolarHBondContact O-OG 3.36Å; F229-S231 VanDerWaalsContact C-N 3.31Å; F229-S231 PolarHBondContact O-N 2.97Å; S231-Y235 WeakPolarHBondContact O-CB 3.37Å; S231-Y235 PolarHBondContact O-N 2.92Å
232M90.6Very high91.5Very high88 Ų8842.5 Ų42.543%0.43324%0.235SC..Hα-helixtrans-68.7-39.9177.4-170.8166.677.300111.2F228 F229 A230F228-M232 PolarHBondContact O-N 2.94Å; F229-M232 HydrophobicContact CD1-CE 4.32Å; F229-M232 PolarHBondContact O-N 3.41Å; A230-M232 VanDerWaalsContact C-N 3.32Å; A230-M232 PolarHBondContact O-N 2.94Å
233L92.4Very high92.2Very high113 Ų11341.9 Ų41.959%0.59223%0.231SC*.Hα-helixtrans-70.4-36.9177.1-68.4174.3000112.4L195 F229 A230L195-L233 HydrophobicContact CD1-CD1 4.45Å; F229-L233 WeakPolarHBondContact O-CG 3.32Å; F229-L233 PolarHBondContact O-N 3.47Å; F229-L233 VanDerWaalsContact O-N 3.09Å; A230-L233 PolarHBondContact O-N 3.03Å
234T94.9Very high93Very high9 Ų938.8 Ų38.86%0.05522%0.216CC..Hα-helixtrans-90.8-1.4-179610000114.1L191 L195 A230 P236 F237L191-T234 HydrophobicContact CB-CG2 3.94Å; L195-T234 HydrophobicContact CD1-CG2 4.13Å; A230-T234 WeakPolarHBondContact O-CG2 3.32Å; A230-T234 PolarHBondContact O-N 3.2Å; A230-T234 PolarHBondContact O-OG1 3.47Å; T234-P236 VanDerWaalsContact C-CD 3.47Å; T234-F237 WeakPolarHBondContact O-CB 3.37Å; T234-F237 PolarHBondContact O-N 3.45Å
235Y95.1Very high93.5Very high12 Ų1235.7 Ų35.75%0.04719%0.191CC..Hα-helixtrans-48.7-45.9177.4178.4-89.8000114.5Q29 S231 F237 V238 L239 R280 G281 N282Q29-Y235 PolarHBondContact NE2-OH 3.22Å; S231-Y235 WeakPolarHBondContact O-CB 3.37Å; S231-Y235 PolarHBondContact O-N 2.92Å; Y235-F237 PolarHBondContact O-N 2.97Å; Y235-F237 VanDerWaalsContact O-N 3.13Å; Y235-V238 WeakPolarHBondContact O-CB 3.24Å; Y235-V238 PolarHBondContact O-N 3.45Å; Y235-L239 HydrophobicContact CE1-CB 4.07Å; Y235-L239 HydrophobicContact CE1-CD2 4.33Å; Y235-L239 PolarHBondContact O-N 2.95Å; Y235-R280 PolarHBondContact OH-O 3.06Å; Y235-G281 PolarHBondContact OH-O 3.36Å; Y235-N282 HydrophobicContact CD1-CB 4.09Å; Y235-N282 HydrophobicContact CD2-CB 4.31Å; Y235-N282 WeakPolarHBondContact CD2-OD1 3.31Å; Y235-N282 HydrophobicContact CE1-CB 3.79Å; Y235-N282 HydrophobicContact CE2-CB 4Å; Y235-N282 HydrophobicContact CG-CB 4.35Å; Y235-N282 PolarHBondContact OH-N 3.44Å; Y235-N282 VanDerWaalsContact OH-N 3.13Å
236P96.4Very high94Very high22 Ų2232.1 Ų32.114%0.14317%0.169CC..Hα-helixtrans-44.5-41.5172.8-4044.3000115.7T234 L239 V240 W269 M278T234-P236 VanDerWaalsContact C-CD 3.47Å; P236-L239 PolarHBondContact O-N 3.05Å; P236-V240 WeakPolarHBondContact O-CG2 3.3Å; P236-V240 PolarHBondContact O-N 3.36Å; P236-W269 HydrophobicContact CB-CH2 3.29Å; P236-W269 HydrophobicContact CB-CZ2 4.05Å; P236-W269 HydrophobicContact CB-CZ3 3.56Å; P236-W269 HydrophobicContact CG-CH2 4.31Å; P236-M278 HydrophobicContact CB-CE 3.56Å; P236-M278 HydrophobicContact CG-CE 4.16Å
237F96.9Very high94.3Very high32 Ų3232.8 Ų32.814%0.1417%0.172CC..Hα-helixtrans-67.4-39.2-179.3-73.3-82.8000112P184 L187 L191 T234 Y235 S241 W269P184-F237 HydrophobicContact CB-CD1 4.39Å; P184-F237 WeakPolarHBondContact O-CB 3.43Å; L187-F237 HydrophobicContact CB-CD1 4Å; L187-F237 HydrophobicContact CB-CE1 3.95Å; L187-F237 HydrophobicContact CD1-CE1 4.33Å; L191-F237 HydrophobicContact CD1-CD2 4.4Å; L191-F237 HydrophobicContact CD1-CE1 4.39Å; L191-F237 HydrophobicContact CD1-CE2 3.66Å; L191-F237 HydrophobicContact CD1-CZ 3.65Å; T234-F237 WeakPolarHBondContact O-CB 3.37Å; T234-F237 PolarHBondContact O-N 3.45Å; Y235-F237 PolarHBondContact O-N 2.97Å; Y235-F237 VanDerWaalsContact O-N 3.13Å; F237-S241 VanDerWaalsContact O-CB 3.23Å; F237-S241 WeakPolarHBondContact O-CB 3.48Å; F237-S241 PolarHBondContact O-N 3.22Å; F237-W269 AromaticContact CD1-CZ3 3.9Å; F237-W269 HydrophobicContact CD1-CZ3 3.9Å; F237-W269 HydrophobicContact CD2-CH2 4.09Å; F237-W269 HydrophobicContact CD2-CZ3 4.05Å; F237-W269 HydrophobicContact CE1-CH2 4.34Å; F237-W269 AromaticContact CE1-CZ3 3.91Å; F237-W269 HydrophobicContact CE1-CZ3 3.91Å; F237-W269 AromaticContact CE2-CH2 3.8Å; F237-W269 HydrophobicContact CE2-CH2 3.8Å; F237-W269 HydrophobicContact CE2-CZ3 4.06Å; F237-W269 HydrophobicContact CG-CH2 4.47Å; F237-W269 AromaticContact CG-CZ3 3.97Å; F237-W269 HydrophobicContact CG-CZ3 3.97Å; F237-W269 AromaticContact CZ-CH2 3.93Å; F237-W269 HydrophobicContact CZ-CH2 3.93Å; F237-W269 AromaticContact CZ-CZ3 3.99Å; F237-W269 HydrophobicContact CZ-CZ3 3.99Å
238V95.9Very high94.5Very high41 Ų4136.1 Ų36.125%0.24819%0.185CC..Hα-helixtrans-65.8-41.9175.2179.60000110.6Y235 S241 N242Y235-V238 WeakPolarHBondContact O-CB 3.24Å; Y235-V238 PolarHBondContact O-N 3.45Å; V238-S241 PolarHBondContact O-N 3.41Å; V238-N242 VanDerWaalsContact O-CG 3.26Å; V238-N242 PolarHBondContact O-N 2.96Å
239L96.5Very high94.5Very high0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-60.8-53.2176.6174.761.2000111.3Q29 Y235 P236 S241 N242 L243 L272 N277 M278 R280Q29-L239 HydrophobicContact CB-CD1 3.73Å; Q29-L239 HydrophobicContact CG-CD1 3.76Å; Y235-L239 HydrophobicContact CE1-CB 4.07Å; Y235-L239 HydrophobicContact CE1-CD2 4.33Å; Y235-L239 PolarHBondContact O-N 2.95Å; P236-L239 PolarHBondContact O-N 3.05Å; L239-S241 VanDerWaalsContact C-N 3.3Å; L239-S241 PolarHBondContact O-N 3Å; L239-N242 PolarHBondContact O-N 3.16Å; L239-L243 HydrophobicContact CD1-CD1 4.13Å; L239-L243 HydrophobicContact CD1-CG 4.22Å; L239-L243 HydrophobicContact CG-CD1 4.19Å; L239-L243 WeakPolarHBondContact O-CG 3.41Å; L239-L243 PolarHBondContact O-N 3.35Å; L239-L272 HydrophobicContact CD2-CD1 4Å; L239-L272 HydrophobicContact CG-CD1 4.15Å; L239-N277 WeakPolarHBondContact CD2-O 3.31Å; L239-M278 WeakPolarHBondContact CD2-O 3.36Å; L239-R280 HydrophobicContact CD2-CB 4.15Å
240V97.3Very high94.4Very high0 Ų027.2 Ų27.20%016%0.158CC..Hα-helixtrans-62-39.4179.8172.30000111.2P184 P236 N242 L243 M244 W265 C268 W269 L272P184-V240 HydrophobicContact CB-CB 4.46Å; P184-V240 HydrophobicContact CB-CG1 4.17Å; P184-V240 HydrophobicContact CG-CG1 4.2Å; P236-V240 WeakPolarHBondContact O-CG2 3.3Å; P236-V240 PolarHBondContact O-N 3.36Å; V240-N242 PolarHBondContact O-N 2.92Å; V240-L243 PolarHBondContact O-N 3.43Å; V240-M244 HydrophobicContact CG1-CG 4.23Å; V240-M244 WeakPolarHBondContact O-CB 3.31Å; V240-M244 VanDerWaalsContact O-CG 3.25Å; V240-M244 WeakPolarHBondContact O-CG 3.4Å; V240-M244 PolarHBondContact O-N 2.89Å; V240-W265 HydrophobicContact CG1-CB 3.94Å; V240-W265 WeakPolarHBondContact CG1-O 3.34Å; V240-C268 HydrophobicContact CG1-CB 4.21Å; V240-W269 HydrophobicContact CB-CE3 4.48Å; V240-W269 HydrophobicContact CG2-CB 4.3Å; V240-W269 HydrophobicContact CG2-CD2 4.46Å; V240-W269 HydrophobicContact CG2-CE3 3.79Å; V240-L272 HydrophobicContact CG2-CD1 3.86Å
241S97.4Very high94.5Very high0 Ų027.3 Ų27.30%016%0.158CC..Hα-helixtrans-57.9-48.9174177.20000112.4G181 R185 F237 V238 L239 L243 M244 A245G181-S241 WeakPolarHBondContact O-CB 3.12Å; G181-S241 PolarHBondContact O-OG 3.33Å; R185-S241 WeakPolarHBondContact CB-OG 3.37Å; F237-S241 VanDerWaalsContact O-CB 3.23Å; F237-S241 WeakPolarHBondContact O-CB 3.48Å; F237-S241 PolarHBondContact O-N 3.22Å; V238-S241 PolarHBondContact O-N 3.41Å; L239-S241 VanDerWaalsContact C-N 3.3Å; L239-S241 PolarHBondContact O-N 3Å; S241-L243 PolarHBondContact O-N 3.09Å; S241-M244 PolarHBondContact O-N 2.98Å; S241-A245 WeakPolarHBondContact O-CB 3.3Å; S241-A245 PolarHBondContact O-N 2.72Å
242N97Very high94.5Very high5 Ų526 Ų263%0.02715%0.151CC..Hα-helixtrans-66.6-38.5-178.6-69.7-7.7000112Q29 H142 L146 V238 L239 V240 A245 V246Q29-N242 PolarHBondContact OE1-ND2 3.43Å; H142-N242 PolarHBondContact NE2-OD1 3.3Å; L146-N242 HydrophobicContact CD1-CB 3.97Å; L146-N242 HydrophobicContact CD2-CB 4.46Å; V238-N242 VanDerWaalsContact O-CG 3.26Å; V238-N242 PolarHBondContact O-N 2.96Å; L239-N242 PolarHBondContact O-N 3.16Å; V240-N242 PolarHBondContact O-N 2.92Å; N242-A245 PolarHBondContact O-N 3.02Å; N242-V246 PolarHBondContact O-N 2.87Å
243L96.3Very high94.4Very high3 Ų321.9 Ų21.92%0.01613%0.131CC..Hα-helixtrans-63.6-46.3174.5-71.2176.9000111.6Q29 V30 L239 V240 S241 A245 V246 N247 Y262 L272Q29-L243 WeakPolarHBondContact O-CD2 3.32Å; V30-L243 HydrophobicContact CB-CD2 4.43Å; V30-L243 HydrophobicContact CG1-CD2 4.25Å; L239-L243 HydrophobicContact CD1-CD1 4.13Å; L239-L243 HydrophobicContact CD1-CG 4.22Å; L239-L243 HydrophobicContact CG-CD1 4.19Å; L239-L243 WeakPolarHBondContact O-CG 3.41Å; L239-L243 PolarHBondContact O-N 3.35Å; V240-L243 PolarHBondContact O-N 3.43Å; S241-L243 PolarHBondContact O-N 3.09Å; L243-A245 VanDerWaalsContact C-N 3.28Å; L243-A245 PolarHBondContact O-N 2.99Å; L243-V246 WeakPolarHBondContact O-CG2 3.35Å; L243-V246 PolarHBondContact O-N 2.87Å; L243-N247 WeakPolarHBondContact O-CB 3.5Å; L243-N247 PolarHBondContact O-N 3.17Å; L243-Y262 HydrophobicContact CB-CE2 4.46Å; L243-L272 HydrophobicContact CD1-CD1 3.45Å; L243-L272 VanDerWaalsContact CD1-CD1 3.45Å; L243-L272 HydrophobicContact CD1-CD2 4.1Å; L243-L272 HydrophobicContact CD1-CG 4.16Å
244M96.9Very high94.2Very high26 Ų2616.5 Ų16.513%0.12810%0.103CC..Hα-helixtrans-64.2-33.1177.6-71-55.1-55.600112.5V240 S241 V246 N247 Y262 W265 C268V240-M244 HydrophobicContact CG1-CG 4.23Å; V240-M244 WeakPolarHBondContact O-CB 3.31Å; V240-M244 VanDerWaalsContact O-CG 3.25Å; V240-M244 WeakPolarHBondContact O-CG 3.4Å; V240-M244 PolarHBondContact O-N 2.89Å; S241-M244 PolarHBondContact O-N 2.98Å; M244-V246 PolarHBondContact O-N 3.17Å; M244-N247 PolarHBondContact O-N 3.04Å; M244-Y262 HydrophobicContact SD-CD2 4.39Å; M244-Y262 HydrophobicContact SD-CG 4.45Å; M244-W265 HydrophobicContact CG-CB 3.93Å; M244-W265 HydrophobicContact SD-CB 4.48Å; M244-C268 HydrophobicContact SD-CB 3.88Å
245A96.8Very high94Very high0 Ų017.3 Ų17.30%011%0.109CC..Hα-helixtrans-65.2-25.2177.700000113.8V143 L146 R147 S241 N242 L243V143-A245 HydrophobicContact CG2-CB 4.13Å; L146-A245 HydrophobicContact CD1-CB 3.54Å; R147-A245 PolarHBondContact NE-O 3.02Å; R147-A245 PolarHBondContact NH2-O 2.91Å; S241-A245 WeakPolarHBondContact O-CB 3.3Å; S241-A245 PolarHBondContact O-N 2.72Å; N242-A245 PolarHBondContact O-N 3.02Å; L243-A245 VanDerWaalsContact C-N 3.28Å; L243-A245 PolarHBondContact O-N 2.99Å
246V95.8Very high93.7Very high3 Ų320.7 Ų20.72%0.01813%0.132CC..Hα-helixtrans-111.5-0.4-179.9-54.30000112.9V30 L146 R147 V150 N242 L243 M244 N248 C249 G254V30-V246 HydrophobicContact CG1-CG2 3.72Å; L146-V246 HydrophobicContact CB-CG1 3.91Å; R147-V246 HydrophobicContact CG-CG1 4.23Å; V150-V246 HydrophobicContact CB-CG1 4.38Å; V150-V246 HydrophobicContact CG1-CB 4.47Å; V150-V246 HydrophobicContact CG2-CB 4.41Å; V150-V246 HydrophobicContact CG2-CG1 3.92Å; N242-V246 PolarHBondContact O-N 2.87Å; L243-V246 WeakPolarHBondContact O-CG2 3.35Å; L243-V246 PolarHBondContact O-N 2.87Å; M244-V246 PolarHBondContact O-N 3.17Å; V246-N248 PolarHBondContact O-N 3.49Å; V246-C249 PolarHBondContact O-SG 3.04Å; V246-G254 WeakPolarHBondContact O-CA 3.34Å
247N95.4Very high93.2Very high24 Ų2425.5 Ų25.513%0.12816%0.164CC..THydrogen-bonded Turntrans-67.6124-179.7179.163.7000110.5L243 M244 C249 I261 Y262L243-N247 WeakPolarHBondContact O-CB 3.5Å; L243-N247 PolarHBondContact O-N 3.17Å; M244-N247 PolarHBondContact O-N 3.04Å; N247-C249 PolarHBondContact O-N 2.95Å; N247-C249 VanDerWaalsContact O-N 3.12Å; N247-I261 WeakPolarHBondContact OD1-CA 3.46Å; N247-Y262 HydrophobicContact CB-CD2 4.5Å; N247-Y262 PolarHBondContact ND2-O 3.39Å; N247-Y262 WeakPolarHBondContact OD1-CD2 3.47Å; N247-Y262 PolarHBondContact OD1-N 2.86Å
248N93Very high92.7Very high93 Ų9329.8 Ų29.850%0.49718%0.18SC..THydrogen-bonded Turntrans51.234.2174.4-161.938000115V246 G250 G254 I261V246-N248 PolarHBondContact O-N 3.49Å; N248-G250 PolarHBondContact O-N 3.4Å; N248-G254 PolarHBondContact N-O 2.87Å; N248-I261 HydrophobicContact CB-CG2 4.19Å
249C89.2Confident92.3Very high2 Ų228.2 Ų28.21%0.01417%0.17CC..SBendtrans-88.517.1179.565.40000114K158 E173 V246 N247 L251K158-C249 PolarHBondContact NZ-O 3.44Å; E173-C249 VanDerWaalsContact OE1-CA 3.28Å; E173-C249 WeakPolarHBondContact OE1-CA 3.33Å; E173-C249 WeakPolarHBondContact OE1-CB 3.44Å; V246-C249 PolarHBondContact O-SG 3.04Å; N247-C249 PolarHBondContact O-N 2.95Å; N247-C249 VanDerWaalsContact O-N 3.12Å; C249-L251 PolarHBondContact O-N 3.16Å
250G87.8Confident92Very high43 Ų4330.7 Ų30.744%0.44319%0.187SC..SBendtrans66.221.8-175.600000114.3K158 N248K158-G250 PolarHBondContact NZ-O 3.41Å; N248-G250 PolarHBondContact O-N 3.4Å
251L92.5Very high91.8Very high2 Ų234.6 Ų34.61%0.0121%0.207CC..SBendtrans-98.8145.9163.8-70.8178.3000109.6R147 V150 Q151 E156 K158 Y159 C249 G253 G254 C255R147-L251 HydrophobicContact CB-CD1 4.04Å; R147-L251 HydrophobicContact CG-CD1 4.42Å; R147-L251 WeakPolarHBondContact O-CD1 3.26Å; V150-L251 HydrophobicContact CB-CD1 4.18Å; V150-L251 HydrophobicContact CG1-CD1 4.01Å; Q151-L251 HydrophobicContact CB-CD1 4.33Å; Q151-L251 HydrophobicContact CB-CD2 3.77Å; E156-L251 HydrophobicContact CB-CD2 4.32Å; K158-L251 HydrophobicContact CB-CD2 4.23Å; K158-L251 HydrophobicContact CD-CD2 4.03Å; Y159-L251 HydrophobicContact CD2-CD1 4.14Å; Y159-L251 HydrophobicContact CD2-CD2 4.08Å; Y159-L251 HydrophobicContact CD2-CG 4.45Å; Y159-L251 HydrophobicContact CE2-CD1 3.68Å; Y159-L251 HydrophobicContact CE2-CD2 3.72Å; Y159-L251 HydrophobicContact CE2-CG 3.76Å; C249-L251 PolarHBondContact O-N 3.16Å; L251-G253 PolarHBondContact O-N 2.87Å; L251-G254 PolarHBondContact O-N 2.97Å; L251-C255 PolarHBondContact O-N 2.86Å
252A90.6Very high91.6Very high29 Ų2935 Ų3524%0.2421%0.208CC..G310 helixtrans-56.6-39.1176.800000112.1E156 G254 C255 Y258E156-A252 PolarHBondContact OE1-N 3.48Å; E156-A252 WeakPolarHBondContact OE2-CB 3.37Å; E156-A252 PolarHBondContact OE2-N 3.21Å; A252-G254 PolarHBondContact O-N 2.91Å; A252-C255 PolarHBondContact O-N 2.99Å; A252-C255 VanDerWaalsContact O-O 3.09Å; A252-Y258 HydrophobicContact CB-CD2 4.24Å; A252-Y258 HydrophobicContact CB-CE2 4.23Å; A252-Y258 WeakPolarHBondContact O-CD2 3.4Å
253G88.2Confident91.4Very high1 Ų140.5 Ų40.51%0.0124%0.242CC..G310 helixtrans-67.5-16178.700000115.3L251 S259L251-G253 PolarHBondContact O-N 2.87Å; G253-S259 WeakPolarHBondContact O-CB 3.42Å
254G89.1Confident91.4Very high0 Ų042.5 Ų42.50%026%0.256CS..G310 helixtrans-100.30.9178.400000114.6V246 N248 L251 A252V246-G254 WeakPolarHBondContact O-CA 3.34Å; N248-G254 PolarHBondContact N-O 2.87Å; L251-G254 PolarHBondContact O-N 2.97Å; A252-G254 PolarHBondContact O-N 2.91Å
255C90.5Very high91.4Very high26 Ų2644.9 Ų44.918%0.17626%0.264CS..SBendtrans-132.1161.7-171.1-67.80000111.4L251 A252 Y258 S259L251-C255 PolarHBondContact O-N 2.86Å; A252-C255 PolarHBondContact O-N 2.99Å; A252-C255 VanDerWaalsContact O-O 3.09Å; C255-Y258 PolarHBondContact O-N 2.92Å; C255-S259 CarbonylContact C-O 3.06Å; C255-S259 PolarHBondContact O-N 3.26Å
256P88.8Confident91.4Very high82 Ų8249.3 Ų49.353%0.53229%0.286SS..THydrogen-bonded Turntrans-60.9143.9171.7-23.935.2000110.8S259 I261P256-S259 WeakPolarHBondContact CA-O 3.29Å; P256-S259 WeakPolarHBondContact CD-O 3.27Å; P256-I261 HydrophobicContact CG-CD1 4.37Å; P256-I261 HydrophobicContact CG-CG1 4.29Å
257P85.9Confident91.4Very high124 Ų12451.6 Ų51.681%0.80530%0.299SS*.THydrogen-bonded Turncis-86.4-2.37.434.8-36.7000115.2
258Y85.2Confident91.4Very high122 Ų12250.4 Ų50.448%0.47829%0.292SS..THydrogen-bonded Turntrans-79-39.2-173.5-65-75.4000113.5I153 A252 C255I153-Y258 HydrophobicContact CG2-CD1 3.78Å; I153-Y258 HydrophobicContact CG2-CD2 4.1Å; I153-Y258 HydrophobicContact CG2-CE1 3.89Å; I153-Y258 HydrophobicContact CG2-CE2 4.2Å; I153-Y258 HydrophobicContact CG2-CG 3.88Å; A252-Y258 HydrophobicContact CB-CD2 4.24Å; A252-Y258 HydrophobicContact CB-CE2 4.23Å; A252-Y258 WeakPolarHBondContact O-CD2 3.4Å; C255-Y258 PolarHBondContact O-N 2.92Å
259S87.6Confident91.6Very high8 Ų848.8 Ų48.86%0.05628%0.279CS..SBendtrans-135.4140.1177.3-178.70000110.9G253 C255 P256G253-S259 WeakPolarHBondContact O-CB 3.42Å; C255-S259 CarbonylContact C-O 3.06Å; C255-S259 PolarHBondContact O-N 3.26Å; P256-S259 WeakPolarHBondContact CA-O 3.29Å; P256-S259 WeakPolarHBondContact CD-O 3.27Å
260P90.1Very high91.9Very high52 Ų5251.3 Ų51.334%0.33830%0.296SS..PPolyproline II helixtrans-66157.4165.431.2-35000110.3Y262 M271P260-Y262 HydrophobicContact CG-CE1 3.85Å; P260-Y262 HydrophobicContact CG-CE2 4.38Å; P260-Y262 WeakPolarHBondContact CG-OH 3.26Å; P260-M271 HydrophobicContact CB-CE 4.06Å; P260-M271 HydrophobicContact CG-CE 4.15Å
261I93.3Very high92.2Very high82 Ų8251.8 Ų51.842%0.42129%0.288SS..PPolyproline II helixtrans-92.6124.9175.8-61173.1000108.3N247 N248 P256N247-I261 WeakPolarHBondContact OD1-CA 3.46Å; N248-I261 HydrophobicContact CB-CG2 4.19Å; P256-I261 HydrophobicContact CG-CD1 4.37Å; P256-I261 HydrophobicContact CG-CG1 4.29Å
262Y93.6Very high92.2Very high7 Ų751.7 Ų51.73%0.02729%0.287CS..PPolyproline II helixtrans-97.4136.9176.9-51.9-69.5000110.8L243 M244 N247 P260 C268 M271L243-Y262 HydrophobicContact CB-CE2 4.46Å; M244-Y262 HydrophobicContact SD-CD2 4.39Å; M244-Y262 HydrophobicContact SD-CG 4.45Å; N247-Y262 HydrophobicContact CB-CD2 4.5Å; N247-Y262 PolarHBondContact ND2-O 3.39Å; N247-Y262 WeakPolarHBondContact OD1-CD2 3.47Å; N247-Y262 PolarHBondContact OD1-N 2.86Å; P260-Y262 HydrophobicContact CG-CE1 3.85Å; P260-Y262 HydrophobicContact CG-CE2 4.38Å; P260-Y262 WeakPolarHBondContact CG-OH 3.26Å; Y262-C268 HydrophobicContact CD1-CB 3.67Å; Y262-C268 HydrophobicContact CD2-CB 3.96Å; Y262-C268 HydrophobicContact CE1-CB 4.12Å; Y262-C268 HydrophobicContact CE2-CB 4.42Å; Y262-C268 HydrophobicContact CG-CB 3.55Å; Y262-M271 HydrophobicContact CD1-SD 3.74Å; Y262-M271 HydrophobicContact CE1-CB 4.11Å; Y262-M271 HydrophobicContact CE1-CE 4.25Å; Y262-M271 HydrophobicContact CE1-CG 4.47Å; Y262-M271 HydrophobicContact CE1-SD 3.7Å
263T93.3Very high92.3Very high122 Ų12256.2 Ų56.275%0.74830%0.303SS*.SBendtrans-79.2-35.1176.857.20000112.2D267T263-D267 PolarHBondContact N-OD2 3Å; T263-D267 WeakPolarHBondContact OG1-CB 3.33Å; T263-D267 PolarHBondContact OG1-OD2 2.86Å
264S95.8Very high92.5Very high44 Ų4465 Ų6531%0.30834%0.341SS..SBendtrans-147.5165.6-179.968.70000110.6I266 D267 C268S264-I266 PolarHBondContact O-N 2.86Å; S264-D267 WeakPolarHBondContact O-CB 3.49Å; S264-D267 PolarHBondContact O-N 3.09Å; S264-D267 WeakPolarHBondContact OG-CB 3.16Å; S264-D267 PolarHBondContact OG-N 3.46Å; S264-D267 VanDerWaalsContact OG-N 3.13Å; S264-C268 PolarHBondContact O-N 3.21Å
265W96.4Very high92.4Very high77 Ų7769.3 Ų69.329%0.29236%0.361SS..Hα-helixtrans-65.1-27.5175.670.5-93.5000112.4V183 P184 L187 V240 M244 W269V183-W265 HydrophobicContact CG1-CZ2 4.34Å; P184-W265 HydrophobicContact CB-CE3 4.48Å; P184-W265 HydrophobicContact CG-CB 4.06Å; P184-W265 HydrophobicContact CG-CG 4.42Å; L187-W265 HydrophobicContact CD1-CH2 4.17Å; L187-W265 HydrophobicContact CD1-CZ2 4.26Å; V240-W265 HydrophobicContact CG1-CB 3.94Å; V240-W265 WeakPolarHBondContact CG1-O 3.34Å; M244-W265 HydrophobicContact CG-CB 3.93Å; M244-W265 HydrophobicContact SD-CB 4.48Å; W265-W269 WeakPolarHBondContact O-CB 3.35Å; W265-W269 PolarHBondContact O-N 3.08Å
266I96.9Very high92.3Very high92 Ų9271.1 Ų71.147%0.47238%0.384SS..Hα-helixtrans-71-42.8176.3-57.1172000109.8S264 W269 C270S264-I266 PolarHBondContact O-N 2.86Å; I266-W269 WeakPolarHBondContact O-CB 3.44Å; I266-W269 PolarHBondContact O-N 3.26Å; I266-C270 WeakPolarHBondContact O-CB 3.45Å; I266-C270 PolarHBondContact O-N 3.19Å; I266-C270 PolarHBondContact O-SG 2.61Å; I266-C270 VanDerWaalsContact O-SG 3.38Å
267D96.6Very high92.2Very high51 Ų5168 Ų6827%0.27336%0.363SS..Hα-helixtrans-59.9-47.9174.3-177.733.4000111T263 S264 W269 C270 M271T263-D267 PolarHBondContact N-OD2 3Å; T263-D267 WeakPolarHBondContact OG1-CB 3.33Å; T263-D267 PolarHBondContact OG1-OD2 2.86Å; S264-D267 WeakPolarHBondContact O-CB 3.49Å; S264-D267 PolarHBondContact O-N 3.09Å; S264-D267 WeakPolarHBondContact OG-CB 3.16Å; S264-D267 PolarHBondContact OG-N 3.46Å; S264-D267 VanDerWaalsContact OG-N 3.13Å; D267-W269 VanDerWaalsContact C-N 3.32Å; D267-W269 PolarHBondContact O-N 3.38Å; D267-C270 PolarHBondContact O-N 3.11Å; D267-M271 WeakPolarHBondContact O-CG 3.48Å; D267-M271 PolarHBondContact O-N 2.97Å
268C96.1Very high92.3Very high0 Ų063.4 Ų63.40%033%0.332CS..Hα-helixtrans-54.3-46.7172.2-1750000112.6V240 M244 Y262 S264 M271 L272V240-C268 HydrophobicContact CG1-CB 4.21Å; M244-C268 HydrophobicContact SD-CB 3.88Å; Y262-C268 HydrophobicContact CD1-CB 3.67Å; Y262-C268 HydrophobicContact CD2-CB 3.96Å; Y262-C268 HydrophobicContact CE1-CB 4.12Å; Y262-C268 HydrophobicContact CE2-CB 4.42Å; Y262-C268 HydrophobicContact CG-CB 3.55Å; S264-C268 PolarHBondContact O-N 3.21Å; C268-M271 PolarHBondContact O-N 2.74Å; C268-L272 WeakPolarHBondContact O-CB 3.41Å; C268-L272 WeakPolarHBondContact O-CG 3.25Å; C268-L272 PolarHBondContact O-N 3.46Å
269W96.6Very high92.5Very high58 Ų5861.4 Ų61.422%0.2234%0.335CS..Hα-helixtrans-60.5-50.8176.9-174.5-70.3000112P236 F237 V240 W265 I266 D267 M271 L272 Q273 M278P236-W269 HydrophobicContact CB-CH2 3.29Å; P236-W269 HydrophobicContact CB-CZ2 4.05Å; P236-W269 HydrophobicContact CB-CZ3 3.56Å; P236-W269 HydrophobicContact CG-CH2 4.31Å; F237-W269 AromaticContact CD1-CZ3 3.9Å; F237-W269 HydrophobicContact CD1-CZ3 3.9Å; F237-W269 HydrophobicContact CD2-CH2 4.09Å; F237-W269 HydrophobicContact CD2-CZ3 4.05Å; F237-W269 HydrophobicContact CE1-CH2 4.34Å; F237-W269 AromaticContact CE1-CZ3 3.91Å; F237-W269 HydrophobicContact CE1-CZ3 3.91Å; F237-W269 AromaticContact CE2-CH2 3.8Å; F237-W269 HydrophobicContact CE2-CH2 3.8Å; F237-W269 HydrophobicContact CE2-CZ3 4.06Å; F237-W269 HydrophobicContact CG-CH2 4.47Å; F237-W269 AromaticContact CG-CZ3 3.97Å; F237-W269 HydrophobicContact CG-CZ3 3.97Å; F237-W269 AromaticContact CZ-CH2 3.93Å; F237-W269 HydrophobicContact CZ-CH2 3.93Å; F237-W269 AromaticContact CZ-CZ3 3.99Å; F237-W269 HydrophobicContact CZ-CZ3 3.99Å; V240-W269 HydrophobicContact CB-CE3 4.48Å; V240-W269 HydrophobicContact CG2-CB 4.3Å; V240-W269 HydrophobicContact CG2-CD2 4.46Å; V240-W269 HydrophobicContact CG2-CE3 3.79Å; W265-W269 WeakPolarHBondContact O-CB 3.35Å; W265-W269 PolarHBondContact O-N 3.08Å; I266-W269 WeakPolarHBondContact O-CB 3.44Å; I266-W269 PolarHBondContact O-N 3.26Å; D267-W269 VanDerWaalsContact C-N 3.32Å; D267-W269 PolarHBondContact O-N 3.38Å; W269-M271 VanDerWaalsContact C-N 3.31Å; W269-M271 PolarHBondContact O-N 2.74Å; W269-L272 PolarHBondContact O-N 3.43Å; W269-Q273 WeakPolarHBondContact O-CB 3.03Å; W269-Q273 PolarHBondContact O-N 3.28Å; W269-M278 HydrophobicContact CD2-CE 3.61Å; W269-M278 VanDerWaalsContact CE2-CE 3.46Å; W269-M278 HydrophobicContact CE3-CE 3.93Å; W269-M278 HydrophobicContact CG-CE 4.18Å; W269-M278 HydrophobicContact CH2-CE 3.99Å; W269-M278 HydrophobicContact CZ2-CE 3.67Å; W269-M278 HydrophobicContact CZ3-CE 4.1Å
270C96Very high92.6Very high55 Ų5563.1 Ų63.137%0.37234%0.341SS..Hα-helixtrans-61.1-40.5-179.4-73.40000111.9I266 D267 Q273 K274I266-C270 WeakPolarHBondContact O-CB 3.45Å; I266-C270 PolarHBondContact O-N 3.19Å; I266-C270 PolarHBondContact O-SG 2.61Å; I266-C270 VanDerWaalsContact O-SG 3.38Å; D267-C270 PolarHBondContact O-N 3.11Å; C270-Q273 PolarHBondContact O-N 2.77Å; C270-K274 WeakPolarHBondContact O-CB 3.49Å; C270-K274 VanDerWaalsContact O-CG 3.27Å; C270-K274 WeakPolarHBondContact O-CG 3.48Å; C270-K274 PolarHBondContact O-N 2.96Å
271M93.4Very high92.5Very high54 Ų5461 Ų6127%0.26633%0.327SS..Hα-helixtrans-64.1-50.2175.6-73-172.367.500111.7P260 Y262 D267 C268 W269 Q273 K274 E275P260-M271 HydrophobicContact CB-CE 4.06Å; P260-M271 HydrophobicContact CG-CE 4.15Å; Y262-M271 HydrophobicContact CD1-SD 3.74Å; Y262-M271 HydrophobicContact CE1-CB 4.11Å; Y262-M271 HydrophobicContact CE1-CE 4.25Å; Y262-M271 HydrophobicContact CE1-CG 4.47Å; Y262-M271 HydrophobicContact CE1-SD 3.7Å; D267-M271 WeakPolarHBondContact O-CG 3.48Å; D267-M271 PolarHBondContact O-N 2.97Å; C268-M271 PolarHBondContact O-N 2.74Å; W269-M271 VanDerWaalsContact C-N 3.31Å; W269-M271 PolarHBondContact O-N 2.74Å; M271-Q273 PolarHBondContact O-N 3.01Å; M271-K274 PolarHBondContact O-N 3.39Å; M271-K274 VanDerWaalsContact O-N 3.17Å; M271-E275 WeakPolarHBondContact O-CG 3.04Å; M271-E275 PolarHBondContact O-N 3.16Å
272L92.4Very high92.3Very high0 Ų060.6 Ų60.60%033%0.326CS..Hα-helixtrans-60.3-36.2177.6-75.7174.9000112.6L239 V240 L243 C268 W269 E275 G276 N277 M278L239-L272 HydrophobicContact CD2-CD1 4Å; L239-L272 HydrophobicContact CG-CD1 4.15Å; V240-L272 HydrophobicContact CG2-CD1 3.86Å; L243-L272 HydrophobicContact CD1-CD1 3.45Å; L243-L272 VanDerWaalsContact CD1-CD1 3.45Å; L243-L272 HydrophobicContact CD1-CD2 4.1Å; L243-L272 HydrophobicContact CD1-CG 4.16Å; C268-L272 WeakPolarHBondContact O-CB 3.41Å; C268-L272 WeakPolarHBondContact O-CG 3.25Å; C268-L272 PolarHBondContact O-N 3.46Å; W269-L272 PolarHBondContact O-N 3.43Å; L272-E275 PolarHBondContact O-N 3.49Å; L272-G276 PolarHBondContact O-N 2.9Å; L272-G276 VanDerWaalsContact O-N 3.11Å; L272-N277 HydrophobicContact CD2-CB 3.91Å; L272-N277 PolarHBondContact O-N 3.38Å; L272-M278 HydrophobicContact CB-CG 4.47Å; L272-M278 HydrophobicContact CB-SD 3.36Å; L272-M278 WeakPolarHBondContact CB-SD 3.28Å; L272-M278 HydrophobicContact CD1-SD 4.4Å
273Q93.4Very high92Very high124 Ų12462.7 Ų62.758%0.57934%0.342SS*.Hα-helixtrans-67.4-44.2176.3-174175.2-300111.5W269 C270 M271 E275 G276 M278W269-Q273 WeakPolarHBondContact O-CB 3.03Å; W269-Q273 PolarHBondContact O-N 3.28Å; C270-Q273 PolarHBondContact O-N 2.77Å; M271-Q273 PolarHBondContact O-N 3.01Å; Q273-E275 VanDerWaalsContact C-N 3.28Å; Q273-E275 PolarHBondContact O-N 3.08Å; Q273-G276 PolarHBondContact O-N 3.48Å; Q273-G276 VanDerWaalsContact O-N 3.12Å; Q273-M278 HydrophobicContact CB-CG 4.24Å; Q273-M278 HydrophobicContact CB-SD 4.11Å; Q273-M278 PolarHBondContact N-SD 3.42Å
274K91.1Very high91.7Very high184 Ų18458.1 Ų58.180%0.831%0.313SS*.Hα-helixtrans-60.8-37.2174.9-75.3172.9-178.5178.60112.2C270 M271 G276C270-K274 WeakPolarHBondContact O-CB 3.49Å; C270-K274 VanDerWaalsContact O-CG 3.27Å; C270-K274 WeakPolarHBondContact O-CG 3.48Å; C270-K274 PolarHBondContact O-N 2.96Å; M271-K274 PolarHBondContact O-N 3.39Å; M271-K274 VanDerWaalsContact O-N 3.17Å; K274-G276 VanDerWaalsContact C-N 3.31Å
275E87.4Confident91.2Very high91 Ų9161.3 Ų61.343%0.42532%0.321SS..THydrogen-bonded Turntrans-80.3-6.2177-66.3-177.8179.800114.3M271 L272 Q273 N277 R280M271-E275 WeakPolarHBondContact O-CG 3.04Å; M271-E275 PolarHBondContact O-N 3.16Å; L272-E275 PolarHBondContact O-N 3.49Å; Q273-E275 VanDerWaalsContact C-N 3.28Å; Q273-E275 PolarHBondContact O-N 3.08Å; E275-N277 HydrophobicContact CB-CB 4.19Å; E275-N277 WeakPolarHBondContact CB-ND2 3.16Å; E275-N277 PolarHBondContact O-N 2.94Å; E275-N277 PolarHBondContact OE2-ND2 3.47Å; E275-R280 IonicContact OE2-NH2 3.44Å
276G87.4Confident90.5Very high64 Ų6464.5 Ų64.566%0.6634%0.338SS*.THydrogen-bonded Turntrans66.322.4-17400000114.1L272 Q273 K274L272-G276 PolarHBondContact O-N 2.9Å; L272-G276 VanDerWaalsContact O-N 3.11Å; Q273-G276 PolarHBondContact O-N 3.48Å; Q273-G276 VanDerWaalsContact O-N 3.12Å; K274-G276 VanDerWaalsContact C-N 3.31Å
277N87.8Confident90.1Very high17 Ų1761 Ų619%0.09132%0.318CS..  trans-101.814.3-171.5-78.7-35.7000114.3L239 L272 E275 S279 R280L239-N277 WeakPolarHBondContact CD2-O 3.31Å; L272-N277 HydrophobicContact CD2-CB 3.91Å; L272-N277 PolarHBondContact O-N 3.38Å; E275-N277 HydrophobicContact CB-CB 4.19Å; E275-N277 WeakPolarHBondContact CB-ND2 3.16Å; E275-N277 PolarHBondContact O-N 2.94Å; E275-N277 PolarHBondContact OE2-ND2 3.47Å; N277-S279 PolarHBondContact O-N 3.01Å; N277-R280 PolarHBondContact ND2-NH2 3.29Å; N277-R280 VanDerWaalsContact O-CB 3.24Å; N277-R280 WeakPolarHBondContact O-CB 3.22Å; N277-R280 PolarHBondContact O-N 2.93Å
278M88.5Confident89.2Confident28 Ų2866.7 Ų66.714%0.13834%0.341CS..THydrogen-bonded Turntrans-62.2-16.7-177.3-64.8-60.3-60.900114.8P236 L239 W269 L272 Q273P236-M278 HydrophobicContact CB-CE 3.56Å; P236-M278 HydrophobicContact CG-CE 4.16Å; L239-M278 WeakPolarHBondContact CD2-O 3.36Å; W269-M278 HydrophobicContact CD2-CE 3.61Å; W269-M278 VanDerWaalsContact CE2-CE 3.46Å; W269-M278 HydrophobicContact CE3-CE 3.93Å; W269-M278 HydrophobicContact CG-CE 4.18Å; W269-M278 HydrophobicContact CH2-CE 3.99Å; W269-M278 HydrophobicContact CZ2-CE 3.67Å; W269-M278 HydrophobicContact CZ3-CE 4.1Å; L272-M278 HydrophobicContact CB-CG 4.47Å; L272-M278 HydrophobicContact CB-SD 3.36Å; L272-M278 WeakPolarHBondContact CB-SD 3.28Å; L272-M278 HydrophobicContact CD1-SD 4.4Å; Q273-M278 HydrophobicContact CB-CG 4.24Å; Q273-M278 HydrophobicContact CB-SD 4.11Å; Q273-M278 PolarHBondContact N-SD 3.42Å
279S88.4Confident88.3Confident79 Ų7968 Ų6855%0.55235%0.348SS*.THydrogen-bonded Turntrans-108.916.2178.4-53.20000113.3N277 G281 N282N277-S279 PolarHBondContact O-N 3.01Å; S279-G281 PolarHBondContact O-N 3.03Å; S279-N282 WeakPolarHBondContact O-CB 3.34Å; S279-N282 PolarHBondContact O-N 3.37Å
280R90.5Very high87Confident45 Ų4567 Ų6717%0.1735%0.349CS..THydrogen-bonded Turntrans-61.2119.6-179.1-177-172.2-66.51794111I28 Q29 Y235 L239 E275 N277I28-R280 VanDerWaalsContact O-CD 3.23Å; I28-R280 WeakPolarHBondContact O-CD 3.05Å; I28-R280 WeakPolarHBondContact O-CG 3.11Å; Q29-R280 WeakPolarHBondContact O-CD 3.29Å; Y235-R280 PolarHBondContact OH-O 3.06Å; L239-R280 HydrophobicContact CD2-CB 4.15Å; E275-R280 IonicContact OE2-NH2 3.44Å; N277-R280 PolarHBondContact ND2-NH2 3.29Å; N277-R280 VanDerWaalsContact O-CB 3.24Å; N277-R280 WeakPolarHBondContact O-CB 3.22Å; N277-R280 PolarHBondContact O-N 2.93Å
281G87.4Confident85.2Confident6 Ų674.9 Ų74.96%0.06238%0.378CS..THydrogen-bonded Turntrans82.79.2-177.400000114.4K25 Y235 S279K25-G281 WeakPolarHBondContact CE-O 3.41Å; Y235-G281 PolarHBondContact OH-O 3.36Å; S279-G281 PolarHBondContact O-N 3.03Å
282N88.4Confident83.6Confident74 Ų7475.8 Ų75.840%0.39640%0.402SS..SBendtrans-75.1-31.2173.9-163.729.4000111.6Y235 S279Y235-N282 HydrophobicContact CD1-CB 4.09Å; Y235-N282 HydrophobicContact CD2-CB 4.31Å; Y235-N282 WeakPolarHBondContact CD2-OD1 3.31Å; Y235-N282 HydrophobicContact CE1-CB 3.79Å; Y235-N282 HydrophobicContact CE2-CB 4Å; Y235-N282 HydrophobicContact CG-CB 4.35Å; Y235-N282 PolarHBondContact OH-N 3.44Å; Y235-N282 VanDerWaalsContact OH-N 3.13Å; S279-N282 WeakPolarHBondContact O-CB 3.34Å; S279-N282 PolarHBondContact O-N 3.37Å
283S87.8Confident82.2Confident52 Ų5280.8 Ų80.836%0.36442%0.423SS..  trans-112.4128.1170.7178.30000109.9F286 R287S283-F286 WeakPolarHBondContact CB-O 3.4Å; S283-F286 PolarHBondContact OG-N 3.31Å; S283-F286 PolarHBondContact OG-O 3.15Å; S283-R287 VanDerWaalsContact O-CG 3.28Å; S283-R287 WeakPolarHBondContact O-CG 3.33Å
284L86.6Confident80.4Confident26 Ų2680.5 Ų80.514%0.13643%0.43CS..SBendtrans-103.5-26.8178.6-61.1174000112.9K25 I28 G53 L54K25-L284 HydrophobicContact CB-CD1 4.09Å; K25-L284 HydrophobicContact CB-CD2 3.8Å; K25-L284 HydrophobicContact CG-CD2 4.06Å; I28-L284 HydrophobicContact CD1-CD2 3.79Å; G53-L284 CarbonylContact C-O 3.56Å; G53-L284 WeakPolarHBondContact CA-O 3.46Å; L54-L284 HydrophobicContact CB-CB 4.17Å; L54-L284 HydrophobicContact CD1-CB 4.48Å; L54-L284 HydrophobicContact CD1-CD1 4.36Å; L54-L284 PolarHBondContact N-O 2.96Å
285F85.5Confident79.1Confident110 Ų11074.1 Ų74.148%0.48240%0.401SS..SBendtrans-91.8-46.8-176.3-62.6-83.1000111.9L54 F55L54-F285 HydrophobicContact CB-CD1 4.32Å; L54-F285 HydrophobicContact CB-CE1 4.25Å; L54-F285 HydrophobicContact CD2-CD1 4.36Å; L54-F285 HydrophobicContact CD2-CE1 3.51Å; L54-F285 HydrophobicContact CD2-CE2 4.35Å; L54-F285 HydrophobicContact CD2-CZ 3.5Å; L54-F285 VanDerWaalsContact CD2-CZ 3.5Å; F55-F285 HydrophobicContact CD2-CE1 4.37Å; F55-F285 HydrophobicContact CE2-CD1 4.14Å; F55-F285 AromaticContact CE2-CE1 3.62Å; F55-F285 HydrophobicContact CE2-CE1 3.62Å; F55-F285 AromaticContact CZ-CE1 3.95Å; F55-F285 HydrophobicContact CZ-CE1 3.95Å
286F83.2Confident77.6Confident145 Ų14574.5 Ų74.564%0.63641%0.413SS*.SBendtrans-113.591.6-177-59.2-70.6000109.2S283S283-F286 WeakPolarHBondContact CB-O 3.4Å; S283-F286 PolarHBondContact OG-N 3.31Å; S283-F286 PolarHBondContact OG-O 3.15Å
287R87.1Confident76Confident17 Ų1772.4 Ų72.46%0.06439%0.388CS..EExtended strand (participates in β ladder)trans-108.3116.3-173.7-62.7178.361.8-140-9.9109E33 Q50 L51 P52 Y57 S283E33-R287 IonicContact OE1-CZ 3.32Å; E33-R287 IonicContact OE1-NH1 3.04Å; E33-R287 IonicContact OE1-NH2 2.73Å; E33-R287 PolarHBondContact OE1-NH2 3.48Å; E33-R287 IonicContact OE2-CZ 3.17Å; E33-R287 VanDerWaalsContact OE2-CZ 3.31Å; E33-R287 IonicContact OE2-NH1 3.72Å; E33-R287 PolarHBondContact OE2-NH1 2.98Å; E33-R287 IonicContact OE2-NH2 3.48Å; E33-R287 PolarHBondContact OE2-NH2 3.31Å; Q50-R287 WeakPolarHBondContact CA-O 3.34Å; L51-R287 HydrophobicContact CB-CB 3.77Å; L51-R287 PolarHBondContact N-O 3.44Å; P52-R287 PolarHBondContact O-NH1 3.35Å; P52-R287 VanDerWaalsContact O-NH1 3.1Å; Y57-R287 VanDerWaalsContact CE2-NH1 3.34Å; S283-R287 VanDerWaalsContact O-CG 3.28Å; S283-R287 WeakPolarHBondContact O-CG 3.33Å
288K78.4Confident74.5Confident172 Ų17273.4 Ų73.475%0.74839%0.393SS*.EExtended strand (participates in β ladder)trans-88.7147.6175.3-63.8-178.3-175.5175.50109.3
289V76.4Confident73Confident26 Ų2677.1 Ų77.116%0.15841%0.413CS..PPolyproline II helixtrans-64.3133.3170.2177.80000109.2P37 C49 L51 Y295P37-V289 HydrophobicContact CB-CG2 3.97Å; C49-V289 HydrophobicContact CB-CG2 4.05Å; L51-V289 HydrophobicContact CG-CG2 4.15Å; V289-Y295 HydrophobicContact CB-CE2 4.49Å; V289-Y295 HydrophobicContact CG1-CD2 3.25Å; V289-Y295 HydrophobicContact CG1-CE2 3.15Å; V289-Y295 HydrophobicContact CG1-CG 4.31Å
290P68.9Low71.5Confident37 Ų3780.1 Ų80.124%0.2442%0.416CS..PPolyproline II helixtrans-61.7138.5176.6-9.718.5000111.1G292 K293P290-G292 PolarHBondContact O-N 3.25Å; P290-K293 HydrophobicContact CG-CD 4.42Å; P290-K293 PolarHBondContact O-N 3.5Å
291F58.5Low69.8Low221 Ų22182 Ų8297%0.96943%0.428SS*.THydrogen-bonded Turntrans-64.2130.3178.4-165-95.6000110.4
292G59.8Low68.3Low74 Ų7488.9 Ų88.976%0.76346%0.462SS*.THydrogen-bonded Turntrans92.2-4.4177.800000116.1P290P290-G292 PolarHBondContact O-N 3.25Å
293K63.2Low66.2Low105 Ų10594.7 Ų94.746%0.45749%0.491SS..  trans-92.5117.9164.3-74.5-166-179.2-174.10108.7P290 Y295P290-K293 HydrophobicContact CG-CD 4.42Å; P290-K293 PolarHBondContact O-N 3.5Å; K293-Y295 HydrophobicContact CB-CD2 4.21Å; K293-Y295 HydrophobicContact CB-CE2 3.4Å; K293-Y295 VanDerWaalsContact CB-CE2 3.4Å; K293-Y295 HydrophobicContact CD-CE2 4.49Å; K293-Y295 WeakPolarHBondContact O-CD2 3.13Å; K293-Y295 WeakPolarHBondContact O-CE2 3.31Å; K293-Y295 PolarHBondContact O-N 3.29Å
294T56.2Low65.1Low118 Ų11896.8 Ų96.872%0.72450%0.498SS*.  trans-80.4118.9178.7-42.10000109.8
295Y62.9Low64Low50 Ų50100.5 Ų100.520%0.19652%0.517CS..  trans-107.4159.2171.5-64.7-98.1000110.2P37 V289 K293 C297 D298P37-Y295 HydrophobicContact CG-CD1 3.78Å; P37-Y295 HydrophobicContact CG-CG 3.9Å; V289-Y295 HydrophobicContact CB-CE2 4.49Å; V289-Y295 HydrophobicContact CG1-CD2 3.25Å; V289-Y295 HydrophobicContact CG1-CE2 3.15Å; V289-Y295 HydrophobicContact CG1-CG 4.31Å; K293-Y295 HydrophobicContact CB-CD2 4.21Å; K293-Y295 HydrophobicContact CB-CE2 3.4Å; K293-Y295 VanDerWaalsContact CB-CE2 3.4Å; K293-Y295 HydrophobicContact CD-CE2 4.49Å; K293-Y295 WeakPolarHBondContact O-CD2 3.13Å; K293-Y295 WeakPolarHBondContact O-CE2 3.31Å; K293-Y295 PolarHBondContact O-N 3.29Å; Y295-C297 PolarHBondContact O-N 3.43Å; Y295-D298 PolarHBondContact N-OD2 3.33Å; Y295-D298 WeakPolarHBondContact O-CB 3.4Å; Y295-D298 PolarHBondContact O-N 2.82Å
296C56.2Low62.8Low99 Ų99100 Ų10067%0.66952%0.519SS*.Hα-helixtrans-54.4-27.1177.2-174.10000112.9
297C55Low61.6Low20 Ų2097.4 Ų97.414%0.13551%0.512CS..Hα-helixtrans-73.6-27.8176.1-66.70000114.5P37 C49 Y295 L299 K300 M301P37-C297 HydrophobicContact CG-CB 4.46Å; P37-C297 PolarHBondContact O-SG 2.96Å; C49-C297 WeakPolarHBondContact SG-CB 3.39Å; Y295-C297 PolarHBondContact O-N 3.43Å; C297-L299 VanDerWaalsContact C-N 3.29Å; C297-L299 PolarHBondContact O-N 3.18Å; C297-K300 PolarHBondContact O-N 2.82Å; C297-K300 VanDerWaalsContact O-N 3.14Å; C297-M301 PolarHBondContact O-N 3.38Å
298D55.9Low60Low38 Ų38102.4 Ų102.420%0.20354%0.54CS..Hα-helixtrans-67.1-35.8177.8-63.6-44.7000110.7Y295 K300 M301 L302Y295-D298 PolarHBondContact N-OD2 3.33Å; Y295-D298 WeakPolarHBondContact O-CB 3.4Å; Y295-D298 PolarHBondContact O-N 2.82Å; D298-K300 VanDerWaalsContact C-N 3.25Å; D298-K300 PolarHBondContact O-N 3.07Å; D298-M301 PolarHBondContact O-N 3.34Å; D298-L302 WeakPolarHBondContact O-CD1 3.45Å; D298-L302 WeakPolarHBondContact O-CG 3.43Å; D298-L302 PolarHBondContact O-N 3.29Å
299L57.6Low58.8Low105 Ų10597.7 Ų97.755%0.5553%0.526SS..Hα-helixtrans-60.2-33.1171.9-81.8126.2000112.9C297 I303C297-L299 VanDerWaalsContact C-N 3.29Å; C297-L299 PolarHBondContact O-N 3.18Å; L299-I303 WeakPolarHBondContact O-CG1 3.42Å
300K55.4Low57.5Low143 Ų143102.9 Ų102.962%0.62255%0.552SS**Hα-helixtrans-79.6-20.2178.5-72.5-174.5177.3-1790113.8C297 D298C297-K300 PolarHBondContact O-N 2.82Å; C297-K300 VanDerWaalsContact O-N 3.14Å; D298-K300 VanDerWaalsContact C-N 3.25Å; D298-K300 PolarHBondContact O-N 3.07Å
301M55.9Low56.7Low84 Ų84107.9 Ų107.941%0.41458%0.576SS.*Hα-helixtrans-86.6-13.5174.5-69-163.1-6100112.8C49 C297 D298C49-M301 HydrophobicContact CB-CE 3.99Å; C297-M301 PolarHBondContact O-N 3.38Å; D298-M301 PolarHBondContact O-N 3.34Å
302L55.8Low56.5Low150 Ų15098.5 Ų98.579%0.78554%0.544SS*.  trans-89.2-5.1177.3-75.7161.6000113.3D298D298-L302 WeakPolarHBondContact O-CD1 3.45Å; D298-L302 WeakPolarHBondContact O-CG 3.43Å; D298-L302 PolarHBondContact O-N 3.29Å
303I44.3Very low56.2Low196 Ų196100.7 Ų100.7100%1.00552%0.524SS*.  trans-107.40176.4-58.8168.3000107.9L299L299-I303 WeakPolarHBondContact O-CG1 3.42Å

Retrieved 303 of 303 residues in 620.5 ms (Link to these results)

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