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ADP/ATP translocase 4

ADP:ATP antiporter that mediates import of ADP into the mitochondrial matrix for ATP synthesis, and export of ATP out to fuel the cell (By similarity). Cycles between the cytoplasmic-open state (c-state) and the matrix-open state (m-state): operates by the alternating access mechanism with a single substrate-binding site intermittently exposed to either the cytosolic (c-state) or matrix (m-state) side of the inner mitochondrial membrane (By similarity). Specifically required during spermatogenesis, probably to mediate ADP:ATP exchange in spermatocytes. Large ATP supplies from mitochondria may be critical for normal progression of spermatogenesis during early stages of meiotic prophase I, including DNA double-strand break repair and chromosomal synapsis. In addition to its ADP:ATP antiporter activity, also involved in mitochondrial uncoupling and mitochondrial permeability transition pore (mPTP) activity (By similarity). Plays a role in mitochondrial uncoupling by acting as a proton transporter: proton transport uncouples the proton flows via the electron transport chain and ATP synthase to reduce the efficiency of ATP production and cause mitochondrial thermogenesis. Proton transporter activity is inhibited by ADP:ATP antiporter activity, suggesting that SLC25A31/ANT4 acts as a master regulator of mitochondrial energy output by maintaining a delicate balance between ATP production (ADP:ATP antiporter activity) and thermogenesis (proton transporter activity). Proton transporter activity requires free fatty acids as cofactor, but does not transport it (By similarity). Among nucleotides, may also exchange ADP for dATP and dADP (By similarity). Also plays a key role in mPTP opening, a non-specific pore that enables free passage of the mitochondrial membranes to solutes of up to 1.5 kDa, and which contributes to cell death. It is however unclear if SLC25A31/ANT4 constitutes a pore-forming component of mPTP or regulates it (By similarity).

AlphaFold DB , UniProt , Accession Q4R8M0, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene SLC25A31, Length 315 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
1M47.5Very low45.8Very low229 Ų229175.1 Ų175.1100%1.12886%0.855SS**  083.80-151.2-177.8-159.500107.9R3M1-R3 PolarHBondContact O-N 3.43Å; M1-R3 VanDerWaalsContact O-N 3.17Å
2H45Very low46Very low201 Ų201176.8 Ų176.893%0.93186%0.855SS**  trans-72.6107.3177.7-91.9-56.3000108.5E4H2-E4 PolarHBondContact O-N 2.8Å
3R46.6Very low46.1Very low232 Ų232180.3 Ų180.388%0.87585%0.854SS**  trans-73.5108.8171.1-70.6-177177.4-176.4-0.4107.4M1M1-R3 PolarHBondContact O-N 3.43Å; M1-R3 VanDerWaalsContact O-N 3.17Å
4E51.2Low46.7Very low168 Ų168179.5 Ų179.579%0.78586%0.856SS**PPolyproline II helixtrans-56.5131.4166.3-81.2-170.2156.700108.9H2H2-E4 PolarHBondContact O-N 2.8Å
5P48.7Very low47.6Very low111 Ų111175.3 Ų175.372%0.72183%0.833SS**PPolyproline II helixtrans-65.6146.1176.626.2-31.1000109.9K7P5-K7 PolarHBondContact O-N 3.39Å
6P49.4Very low49.4Very low122 Ų122169.1 Ų169.179%0.79281%0.806SS**PPolyproline II helixtrans-59.6124-175.622.9-31.9000110.2K8P6-K8 PolarHBondContact O-N 2.78Å
7K47.1Very low51.2Low190 Ų190162.6 Ų162.683%0.82679%0.787SS**  trans-50.4109.7170.7-71.1179.2178.9175.90107.9P5 K9P5-K7 PolarHBondContact O-N 3.39Å; K7-K9 PolarHBondContact O-N 3.07Å
8K40.5Very low52.8Low201 Ų201157.5 Ų157.587%0.87477%0.771SS**  trans-48.9118169.7-76.9-177176.7-179.30106.3P6 A10P6-K8 PolarHBondContact O-N 2.78Å; K8-A10 PolarHBondContact O-N 3.03Å
9K41.9Very low54.2Low200 Ų200151.7 Ų151.787%0.8775%0.748SS**  trans-47.1115.8169.7-81.4177.9176.7173.80105.4K7 E11K7-K9 PolarHBondContact O-N 3.07Å; K9-E11 PolarHBondContact O-N 2.75Å
10A44.7Very low55.4Low93 Ų93146.8 Ų146.877%0.76972%0.722SS**  trans-46.8113.5173.900000106.5K8 K12K8-A10 PolarHBondContact O-N 3.03Å; A10-K12 VanDerWaalsContact C-N 3.34Å; A10-K12 PolarHBondContact O-N 2.89Å
11E41.5Very low56.7Low179 Ų179141 Ų14184%0.83670%0.7SS**  trans-50.7111.2166.2-79.2178145.100104.4K9 R13K9-E11 PolarHBondContact O-N 2.75Å; E11-R13 VanDerWaalsContact C-N 3.33Å; E11-R13 PolarHBondContact O-N 3.16Å
12K47.4Very low58.4Low195 Ų195135.8 Ų135.885%0.84867%0.671SS**  trans-49.1109.7169.3-91.5-179.2172.4179.80104.2A10 L14A10-K12 VanDerWaalsContact C-N 3.34Å; A10-K12 PolarHBondContact O-N 2.89Å; K12-L14 PolarHBondContact O-N 3.05Å
13R48Very low60.2Low223 Ų223130.7 Ų130.784%0.84265%0.651SS**  trans-42.2110.6178.8-81.9-174.7171.8-154.8-1.6106.8E11 F15E11-R13 VanDerWaalsContact C-N 3.33Å; E11-R13 PolarHBondContact O-N 3.16Å; R13-F15 PolarHBondContact O-N 2.78Å
14L54.6Low61.9Low169 Ų169121.7 Ų121.789%0.88562%0.62SS**SBendtrans-54.6106.6174.8-111.888.8000105.1K12K12-L14 PolarHBondContact O-N 3.05Å
15F60.3Low63.6Low116 Ų116119.2 Ų119.251%0.50961%0.612SS.*  trans45.894.2169.1-174.1-104.5000115.1R13 A17 F20 F101R13-F15 PolarHBondContact O-N 2.78Å; F15-A17 VanDerWaalsContact C-N 3.28Å; F15-A17 HydrophobicContact CD1-CB 3.79Å; F15-A17 VanDerWaalsContact CE1-CA 3.47Å; F15-A17 HydrophobicContact CE1-CB 3.49Å; F15-A17 VanDerWaalsContact CE1-CB 3.49Å; F15-A17 HydrophobicContact CZ-CB 4.46Å; F15-A17 PolarHBondContact O-N 2.78Å; F15-F20 HydrophobicContact CE2-CB 3.87Å; F15-F20 HydrophobicContact CE2-CD1 4.09Å; F15-F20 HydrophobicContact CE2-CD2 4.15Å; F15-F20 AromaticContact CE2-CG 3.75Å; F15-F20 HydrophobicContact CE2-CG 3.75Å; F15-F20 HydrophobicContact CZ-CB 3.87Å; F15-F20 AromaticContact CZ-CD1 3.65Å; F15-F20 HydrophobicContact CZ-CD1 3.65Å; F15-F20 HydrophobicContact CZ-CE1 4.35Å; F15-F20 AromaticContact CZ-CG 3.75Å; F15-F20 HydrophobicContact CZ-CG 3.75Å; F15-F101 HydrophobicContact CD2-CE1 4.16Å; F15-F101 AromaticContact CD2-CZ 3.96Å; F15-F101 HydrophobicContact CD2-CZ 3.96Å; F15-F101 AromaticContact CE2-CE1 3.64Å; F15-F101 HydrophobicContact CE2-CE1 3.64Å; F15-F101 AromaticContact CE2-CZ 3.69Å; F15-F101 HydrophobicContact CE2-CZ 3.69Å
16D76.5Confident65.4Low77 Ų77115 Ų11541%0.41259%0.586SS.*  trans-70.290.6165.6-179.9-7.8000109.3S18 S19 F20D16-S18 PolarHBondContact O-N 3.29Å; D16-S18 WeakPolarHBondContact OD1-CA 3.32Å; D16-S18 VanDerWaalsContact OD1-CB 3.31Å; D16-S18 WeakPolarHBondContact OD1-CB 3.44Å; D16-S18 PolarHBondContact OD1-N 3.16Å; D16-S19 VanDerWaalsContact CB-OG 3.29Å; D16-S19 WeakPolarHBondContact CB-OG 2.99Å; D16-S19 PolarHBondContact O-N 3.05Å; D16-S19 VanDerWaalsContact O-N 3.16Å; D16-S19 PolarHBondContact O-OG 3.34Å; D16-S19 PolarHBondContact OD1-N 3.47Å; D16-F20 PolarHBondContact O-N 3.43Å
17A79Confident67.2Low58 Ų58110.3 Ų110.348%0.47956%0.559SS.*Hα-helixtrans-56.8-30.2179.700000112.9F15 G21F15-A17 VanDerWaalsContact C-N 3.28Å; F15-A17 HydrophobicContact CD1-CB 3.79Å; F15-A17 VanDerWaalsContact CE1-CA 3.47Å; F15-A17 HydrophobicContact CE1-CB 3.49Å; F15-A17 VanDerWaalsContact CE1-CB 3.49Å; F15-A17 HydrophobicContact CZ-CB 4.46Å; F15-A17 PolarHBondContact O-N 2.78Å; A17-G21 PolarHBondContact O-N 3.16Å
18S79.8Confident69.3Low71 Ų71101.3 Ų101.350%0.49752%0.52SS..Hα-helixtrans-71.5-46.6177.8-174.10000110.7D16 F20 G21 K22D16-S18 PolarHBondContact O-N 3.29Å; D16-S18 WeakPolarHBondContact OD1-CA 3.32Å; D16-S18 VanDerWaalsContact OD1-CB 3.31Å; D16-S18 WeakPolarHBondContact OD1-CB 3.44Å; D16-S18 PolarHBondContact OD1-N 3.16Å; S18-F20 PolarHBondContact O-N 3.29Å; S18-G21 PolarHBondContact O-N 2.96Å; S18-K22 WeakPolarHBondContact O-CG 3.03Å; S18-K22 PolarHBondContact O-N 3.33Å
19S80Confident71.7Confident48 Ų4895.2 Ų95.234%0.33650%0.5SS..Hα-helixtrans-59.4-46.8174.5730000111.6D16 G21 K22 D23D16-S19 VanDerWaalsContact CB-OG 3.29Å; D16-S19 WeakPolarHBondContact CB-OG 2.99Å; D16-S19 PolarHBondContact O-N 3.05Å; D16-S19 VanDerWaalsContact O-N 3.16Å; D16-S19 PolarHBondContact O-OG 3.34Å; D16-S19 PolarHBondContact OD1-N 3.47Å; S19-G21 PolarHBondContact O-N 2.9Å; S19-K22 PolarHBondContact O-N 3.4Å; S19-D23 PolarHBondContact O-N 2.73Å
20F79Confident74Confident53 Ų5386.1 Ų86.123%0.23246%0.462CS..Hα-helixtrans-62-42.8178176.2-98.1000111.9F15 D16 S18 D23 L24 F101F15-F20 HydrophobicContact CE2-CB 3.87Å; F15-F20 HydrophobicContact CE2-CD1 4.09Å; F15-F20 HydrophobicContact CE2-CD2 4.15Å; F15-F20 AromaticContact CE2-CG 3.75Å; F15-F20 HydrophobicContact CE2-CG 3.75Å; F15-F20 HydrophobicContact CZ-CB 3.87Å; F15-F20 AromaticContact CZ-CD1 3.65Å; F15-F20 HydrophobicContact CZ-CD1 3.65Å; F15-F20 HydrophobicContact CZ-CE1 4.35Å; F15-F20 AromaticContact CZ-CG 3.75Å; F15-F20 HydrophobicContact CZ-CG 3.75Å; D16-F20 PolarHBondContact O-N 3.43Å; S18-F20 PolarHBondContact O-N 3.29Å; F20-D23 PolarHBondContact O-N 3.07Å; F20-L24 HydrophobicContact CE1-CD2 4Å; F20-L24 HydrophobicContact CZ-CD2 4.29Å; F20-L24 WeakPolarHBondContact O-CB 3.39Å; F20-L24 PolarHBondContact O-N 3.32Å; F20-F101 HydrophobicContact CD2-CD1 4.46Å; F20-F101 HydrophobicContact CD2-CD2 4.13Å; F20-F101 HydrophobicContact CD2-CE1 4.32Å; F20-F101 AromaticContact CD2-CE2 3.98Å; F20-F101 HydrophobicContact CD2-CE2 3.98Å; F20-F101 HydrophobicContact CD2-CG 4.38Å; F20-F101 HydrophobicContact CD2-CZ 4.08Å; F20-F101 HydrophobicContact CE2-CB 4.12Å; F20-F101 AromaticContact CE2-CD1 3.77Å; F20-F101 HydrophobicContact CE2-CD1 3.77Å; F20-F101 AromaticContact CE2-CD2 3.68Å; F20-F101 HydrophobicContact CE2-CD2 3.68Å; F20-F101 HydrophobicContact CE2-CE1 4.07Å; F20-F101 AromaticContact CE2-CE2 3.98Å; F20-F101 HydrophobicContact CE2-CE2 3.98Å; F20-F101 AromaticContact CE2-CG 3.57Å; F20-F101 HydrophobicContact CE2-CG 3.57Å; F20-F101 HydrophobicContact CE2-CZ 4.17Å; F20-F101 HydrophobicContact CZ-CB 4.5Å; F20-F101 HydrophobicContact CZ-CD1 4.12Å; F20-F101 HydrophobicContact CZ-CG 4.19Å
21G82.1Confident76.3Confident25 Ų2582 Ų8226%0.25843%0.429SS..Hα-helixtrans-60.7-45176.400000112.2A17 S18 S19 L24 L25A17-G21 PolarHBondContact O-N 3.16Å; S18-G21 PolarHBondContact O-N 2.96Å; S19-G21 PolarHBondContact O-N 2.9Å; G21-L24 PolarHBondContact O-N 2.91Å; G21-L25 WeakPolarHBondContact O-CB 3.18Å; G21-L25 VanDerWaalsContact O-CG 3.22Å; G21-L25 WeakPolarHBondContact O-CG 3.29Å; G21-L25 PolarHBondContact O-N 2.82Å
22K84.1Confident78.8Confident119 Ų11974.8 Ų74.852%0.51740%0.399SS..Hα-helixtrans-62.5-46.9176.2-71.3175.8-175.3-178.30111.9S18 S19 L24 L25 A26 I312S18-K22 WeakPolarHBondContact O-CG 3.03Å; S18-K22 PolarHBondContact O-N 3.33Å; S19-K22 PolarHBondContact O-N 3.4Å; K22-L24 PolarHBondContact O-N 2.71Å; K22-L25 PolarHBondContact O-N 3.28Å; K22-A26 WeakPolarHBondContact O-CB 3.4Å; K22-A26 PolarHBondContact O-N 3.42Å; K22-I312 HydrophobicContact CB-CG2 4.24Å
23D81.3Confident81.1Confident94 Ų9468.5 Ų68.550%0.50338%0.377SS..Hα-helixtrans-63.8-41.8178.8-71.5-11.7000111.9S19 F20 G27S19-D23 PolarHBondContact O-N 2.73Å; F20-D23 PolarHBondContact O-N 3.07Å; D23-G27 PolarHBondContact O-N 2.61Å
24L83.5Confident83.3Confident44 Ų4458.5 Ų58.523%0.2334%0.341CS..Hα-helixtrans-64.9-41.3177.3-176.765000111.4F20 G21 K22 G28 F94 Q97F20-L24 HydrophobicContact CE1-CD2 4Å; F20-L24 HydrophobicContact CZ-CD2 4.29Å; F20-L24 WeakPolarHBondContact O-CB 3.39Å; F20-L24 PolarHBondContact O-N 3.32Å; G21-L24 PolarHBondContact O-N 2.91Å; K22-L24 PolarHBondContact O-N 2.71Å; L24-G28 WeakPolarHBondContact O-CA 3.31Å; L24-G28 PolarHBondContact O-N 3.33Å; L24-F94 HydrophobicContact CD1-CD1 4.47Å; L24-F94 HydrophobicContact CG-CD1 4.35Å; L24-Q97 HydrophobicContact CD1-CB 3.96Å
25L86.9Confident85.2Confident116 Ų11652.1 Ų52.161%0.60731%0.306SS*.Hα-helixtrans-67.4-48.8176.4-73.6172.5000111.4G21 K22 G27 G28 V29G21-L25 WeakPolarHBondContact O-CB 3.18Å; G21-L25 VanDerWaalsContact O-CG 3.22Å; G21-L25 WeakPolarHBondContact O-CG 3.29Å; G21-L25 PolarHBondContact O-N 2.82Å; K22-L25 PolarHBondContact O-N 3.28Å; L25-G27 PolarHBondContact O-N 3.1Å; L25-G28 CarbonylContact O-C 3.53Å; L25-G28 WeakPolarHBondContact O-CA 3.04Å; L25-G28 PolarHBondContact O-N 2.91Å; L25-G28 VanDerWaalsContact O-N 3.1Å; L25-V29 WeakPolarHBondContact O-CG2 3.32Å; L25-V29 PolarHBondContact O-N 2.86Å
26A86.2Confident87Confident23 Ų2349.2 Ų49.219%0.1930%0.298CS..Hα-helixtrans-60.6-45.6178.600000111.6K22 G28 V29 A30 I312K22-A26 WeakPolarHBondContact O-CB 3.4Å; K22-A26 PolarHBondContact O-N 3.42Å; A26-G28 VanDerWaalsContact C-N 3.32Å; A26-G28 PolarHBondContact O-N 3.1Å; A26-V29 PolarHBondContact O-N 3.48Å; A26-A30 WeakPolarHBondContact O-CB 3.21Å; A26-A30 PolarHBondContact O-N 3.44Å; A26-I312 HydrophobicContact CB-CG2 4.35Å
27G86.8Confident88Confident22 Ų2248.3 Ų48.323%0.22730%0.301CS..Hα-helixtrans-64.7-35.5173.300000112.7D23 L25 A31 Y93D23-G27 PolarHBondContact O-N 2.61Å; L25-G27 PolarHBondContact O-N 3.1Å; G27-A31 WeakPolarHBondContact O-CB 3.2Å; G27-A31 PolarHBondContact O-N 3.34Å; G27-Y93 WeakPolarHBondContact O-CE1 3.49Å
28G91.3Very high88.8Confident1 Ų146.5 Ų46.51%0.0128%0.284CS..Hα-helixtrans-64.8-44.9175.700000112.9L24 L25 A26 A31 A32L24-G28 WeakPolarHBondContact O-CA 3.31Å; L24-G28 PolarHBondContact O-N 3.33Å; L25-G28 CarbonylContact O-C 3.53Å; L25-G28 WeakPolarHBondContact O-CA 3.04Å; L25-G28 PolarHBondContact O-N 2.91Å; L25-G28 VanDerWaalsContact O-N 3.1Å; A26-G28 VanDerWaalsContact C-N 3.32Å; A26-G28 PolarHBondContact O-N 3.1Å; G28-A31 PolarHBondContact O-N 3.47Å; G28-A32 WeakPolarHBondContact O-CB 3.45Å; G28-A32 PolarHBondContact O-N 3.48Å
29V91.5Very high89.7Confident74 Ų7443.4 Ų43.445%0.44826%0.263SS..Hα-helixtrans-64.5-48.5175.31740000110.5L25 A26 A31 A32 V33 Y301L25-V29 WeakPolarHBondContact O-CG2 3.32Å; L25-V29 PolarHBondContact O-N 2.86Å; A26-V29 PolarHBondContact O-N 3.48Å; V29-A31 VanDerWaalsContact C-N 3.28Å; V29-A31 PolarHBondContact O-N 3.27Å; V29-A32 WeakPolarHBondContact O-CB 3.37Å; V29-A32 PolarHBondContact O-N 2.94Å; V29-V33 HydrophobicContact CG1-CG2 4.45Å; V29-V33 WeakPolarHBondContact O-CG2 3.29Å; V29-V33 PolarHBondContact O-N 3.24Å; V29-Y301 WeakPolarHBondContact CG1-OH 3.31Å
30A90.7Very high90.5Very high9 Ų942.2 Ų42.27%0.07425%0.254CS..Hα-helixtrans-56.4-44.5176.600000111.6A26 V33 S34 L298 Y301A26-A30 WeakPolarHBondContact O-CB 3.21Å; A26-A30 PolarHBondContact O-N 3.44Å; A30-V33 PolarHBondContact O-N 3.37Å; A30-S34 WeakPolarHBondContact O-CB 3.11Å; A30-S34 PolarHBondContact O-N 3.22Å; A30-L298 HydrophobicContact CB-CD2 4.07Å; A30-Y301 HydrophobicContact CB-CD1 3.63Å; A30-Y301 HydrophobicContact CB-CE1 3.49Å; A30-Y301 VanDerWaalsContact CB-CE1 3.49Å
31A91.5Very high91.4Very high7 Ų741.6 Ų41.66%0.05825%0.252CS..Hα-helixtrans-66-38.7176.300000112.4G27 G28 V29 K35 Y93G27-A31 WeakPolarHBondContact O-CB 3.2Å; G27-A31 PolarHBondContact O-N 3.34Å; G28-A31 PolarHBondContact O-N 3.47Å; V29-A31 VanDerWaalsContact C-N 3.28Å; V29-A31 PolarHBondContact O-N 3.27Å; A31-K35 WeakPolarHBondContact O-CB 3.27Å; A31-K35 WeakPolarHBondContact O-CD 3.09Å; A31-K35 WeakPolarHBondContact O-CG 3.33Å; A31-K35 PolarHBondContact O-N 3.3Å; A31-Y93 HydrophobicContact CB-CD1 3.74Å; A31-Y93 HydrophobicContact CB-CD2 3.52Å; A31-Y93 HydrophobicContact CB-CE1 3.7Å; A31-Y93 HydrophobicContact CB-CE2 3.47Å; A31-Y93 VanDerWaalsContact CB-CE2 3.47Å; A31-Y93 HydrophobicContact CB-CG 3.64Å
32A94.8Very high92.2Very high26 Ų2640.7 Ų40.722%0.21524%0.242CC..Hα-helixtrans-63.4-45.8176.600000111.6G28 V29 T36 V90G28-A32 WeakPolarHBondContact O-CB 3.45Å; G28-A32 PolarHBondContact O-N 3.48Å; V29-A32 WeakPolarHBondContact O-CB 3.37Å; V29-A32 PolarHBondContact O-N 2.94Å; A32-T36 WeakPolarHBondContact O-CB 3.43Å; A32-T36 PolarHBondContact O-N 2.76Å; A32-T36 PolarHBondContact O-OG1 3.42Å; A32-V90 HydrophobicContact CB-CG1 3.73Å; A32-V90 HydrophobicContact CB-CG2 4.33Å
33V94.4Very high92.8Very high64 Ų6435.2 Ų35.239%0.38822%0.218SC..Hα-helixtrans-60.6-53.8175.6172.80000110.4V29 A30 K35 T36 A37 V297 Y301V29-V33 HydrophobicContact CG1-CG2 4.45Å; V29-V33 WeakPolarHBondContact O-CG2 3.29Å; V29-V33 PolarHBondContact O-N 3.24Å; A30-V33 PolarHBondContact O-N 3.37Å; V33-K35 PolarHBondContact O-N 3.42Å; V33-T36 PolarHBondContact O-N 2.99Å; V33-A37 WeakPolarHBondContact O-CB 3.42Å; V33-A37 PolarHBondContact O-N 2.84Å; V33-V297 HydrophobicContact CG1-CG1 4.13Å; V33-Y301 HydrophobicContact CG2-CE2 4.5Å
34S95.3Very high93.7Very high12 Ų1230.8 Ų30.88%0.08419%0.194CC..Hα-helixtrans-57.8-48.6-179.8176.80000112.1A30 T36 A37 V38 G294A30-S34 WeakPolarHBondContact O-CB 3.11Å; A30-S34 PolarHBondContact O-N 3.22Å; S34-T36 VanDerWaalsContact C-N 3.33Å; S34-T36 PolarHBondContact O-N 3.23Å; S34-A37 PolarHBondContact O-N 3.24Å; S34-V38 WeakPolarHBondContact O-CG2 3.29Å; S34-V38 PolarHBondContact O-N 2.92Å; S34-V38 VanDerWaalsContact O-N 3.15Å; S34-G294 WeakPolarHBondContact OG-CA 3.32Å; S34-G294 PolarHBondContact OG-O 2.85Å
35K95.3Very high94.4Very high35 Ų3528.9 Ų28.915%0.15218%0.184CC..Hα-helixtrans-62.5-38.8178.7-75.8170.6-176.7-61.60112.7A31 V33 A39 N86 N89 V90A31-K35 WeakPolarHBondContact O-CB 3.27Å; A31-K35 WeakPolarHBondContact O-CD 3.09Å; A31-K35 WeakPolarHBondContact O-CG 3.33Å; A31-K35 PolarHBondContact O-N 3.3Å; V33-K35 PolarHBondContact O-N 3.42Å; K35-A39 WeakPolarHBondContact O-CB 3.24Å; K35-A39 PolarHBondContact O-N 2.89Å; K35-N86 PolarHBondContact O-OD1 2.92Å; K35-N89 WeakPolarHBondContact CB-ND2 3.46Å; K35-N89 WeakPolarHBondContact CD-OD1 3.13Å; K35-N89 WeakPolarHBondContact CE-O 3.33Å; K35-N89 WeakPolarHBondContact CG-ND2 3.34Å; K35-N89 PolarHBondContact NZ-OD1 3.35Å; K35-V90 HydrophobicContact CB-CG2 4.22Å; K35-V90 HydrophobicContact CD-CG2 4.24Å
36T97.2Very high94.9Very high56 Ų5623.6 Ų23.634%0.34416%0.156SC..Hα-helixtrans-71-40.9179.3-58.70000111.2A32 V33 S34 V38 A39 W83 N86A32-T36 WeakPolarHBondContact O-CB 3.43Å; A32-T36 PolarHBondContact O-N 2.76Å; A32-T36 PolarHBondContact O-OG1 3.42Å; V33-T36 PolarHBondContact O-N 2.99Å; S34-T36 VanDerWaalsContact C-N 3.33Å; S34-T36 PolarHBondContact O-N 3.23Å; T36-V38 VanDerWaalsContact C-N 3.33Å; T36-V38 PolarHBondContact O-N 3.32Å; T36-A39 WeakPolarHBondContact O-CB 3.41Å; T36-A39 PolarHBondContact O-N 3.19Å; T36-W83 PolarHBondContact O-NE1 2.84Å; T36-N86 WeakPolarHBondContact CA-ND2 3.37Å; T36-N86 PolarHBondContact OG1-ND2 3.49Å
37A96.5Very high95.5Very high58 Ų5822.5 Ų22.548%0.47915%0.147SC..Hα-helixtrans-60.8-40.8176.300000112.2V33 S34 V297V33-A37 WeakPolarHBondContact O-CB 3.42Å; V33-A37 PolarHBondContact O-N 2.84Å; S34-A37 PolarHBondContact O-N 3.24Å; A37-V297 HydrophobicContact CB-CG1 4.22Å; A37-V297 HydrophobicContact CB-CG2 3.91Å
38V97.2Very high96Very high20 Ų2022 Ų2212%0.12114%0.139CC..THydrogen-bonded Turntrans-93.62-179.2-53.10000114.6S34 T36 P40 I41 E42 R290S34-V38 WeakPolarHBondContact O-CG2 3.29Å; S34-V38 PolarHBondContact O-N 2.92Å; S34-V38 VanDerWaalsContact O-N 3.15Å; T36-V38 VanDerWaalsContact C-N 3.33Å; T36-V38 PolarHBondContact O-N 3.32Å; V38-P40 VanDerWaalsContact C-CD 3.49Å; V38-I41 PolarHBondContact O-N 3.05Å; V38-E42 PolarHBondContact O-N 3.46Å; V38-R290 HydrophobicContact CB-CG 3.94Å; V38-R290 HydrophobicContact CG2-CG 3.7Å
39A97.8Very high96.4Very high5 Ų522 Ų224%0.04114%0.139CC..Hα-helixtrans-58-40.3-17700000113.9K35 T36 I41 E42 R43 W83 N86K35-A39 WeakPolarHBondContact O-CB 3.24Å; K35-A39 PolarHBondContact O-N 2.89Å; T36-A39 WeakPolarHBondContact O-CB 3.41Å; T36-A39 PolarHBondContact O-N 3.19Å; A39-I41 VanDerWaalsContact C-N 3.32Å; A39-I41 PolarHBondContact O-N 3.18Å; A39-E42 PolarHBondContact O-N 2.74Å; A39-R43 PolarHBondContact O-N 2.93Å; A39-W83 VanDerWaalsContact CB-CD1 3.41Å; A39-W83 HydrophobicContact CB-CG 4.16Å; A39-N86 HydrophobicContact CB-CB 4.09Å
40P98Very high96.7Very high23 Ų2318.5 Ų18.515%0.14912%0.118CC..Hα-helixtrans-57.4-42.8176.4-25.834.6000113.2V38 R43 V44 F82 W83V38-P40 VanDerWaalsContact C-CD 3.49Å; P40-R43 WeakPolarHBondContact O-CB 3.29Å; P40-R43 PolarHBondContact O-N 2.81Å; P40-V44 WeakPolarHBondContact O-CG2 3.4Å; P40-V44 PolarHBondContact O-N 2.82Å; P40-F82 HydrophobicContact CB-CB 3.98Å; P40-F82 HydrophobicContact CB-CD1 3.79Å; P40-F82 HydrophobicContact CB-CE1 4.43Å; P40-F82 HydrophobicContact CB-CG 3.93Å; P40-F82 HydrophobicContact CG-CB 4.01Å; P40-F82 HydrophobicContact CG-CG 4.38Å; P40-W83 HydrophobicContact CG-CH2 4.15Å; P40-W83 HydrophobicContact CG-CZ2 3.8Å
41I98Very high97Very high40 Ų4018.2 Ų18.221%0.20512%0.115CC..Hα-helixtrans-71.7-36.3178.9-57.4-59.4000111.3V38 A39 V44 K45 L70 S286 L289 R290V38-I41 PolarHBondContact O-N 3.05Å; A39-I41 VanDerWaalsContact C-N 3.32Å; A39-I41 PolarHBondContact O-N 3.18Å; I41-V44 PolarHBondContact O-N 3.18Å; I41-K45 PolarHBondContact O-N 3.17Å; I41-L70 HydrophobicContact CD1-CD2 4.4Å; I41-S286 WeakPolarHBondContact CG2-O 3.48Å; I41-L289 HydrophobicContact CG2-CB 4.25Å; I41-R290 HydrophobicContact CB-CB 4.38Å; I41-R290 HydrophobicContact CG2-CB 3.92Å
42E97.5Very high97.2Very high7 Ų718.9 Ų18.93%0.03312%0.12CC..Hα-helixtrans-62.1-42.2171.5178.577.1150.800111.7V38 A39 V44 K45 L46 R150 R290V38-E42 PolarHBondContact O-N 3.46Å; A39-E42 PolarHBondContact O-N 2.74Å; E42-V44 VanDerWaalsContact C-N 3.32Å; E42-V44 PolarHBondContact O-N 2.76Å; E42-K45 WeakPolarHBondContact O-CB 3.4Å; E42-K45 PolarHBondContact O-N 3.32Å; E42-L46 HydrophobicContact CG-CD1 4.17Å; E42-L46 HydrophobicContact CG-CG 4.42Å; E42-L46 WeakPolarHBondContact O-CG 3.42Å; E42-L46 PolarHBondContact O-N 2.63Å; E42-R150 VanDerWaalsContact CG-NH2 3.3Å; E42-R150 IonicContact OE1-CZ 3.4Å; E42-R150 IonicContact OE1-NE 2.84Å; E42-R150 IonicContact OE1-NH1 3.9Å; E42-R150 IonicContact OE1-NH2 3.59Å; E42-R150 PolarHBondContact OE1-NH2 2.97Å; E42-R290 HydrophobicContact CB-CG 4.46Å; E42-R290 IonicContact OE1-NH1 3.01Å; E42-R290 PolarHBondContact OE1-NH1 2.68Å; E42-R290 WeakPolarHBondContact OE2-CD 3.44Å; E42-R290 IonicContact OE2-CZ 3.5Å; E42-R290 IonicContact OE2-NE 3.68Å; E42-R290 PolarHBondContact OE2-NE 3.23Å; E42-R290 IonicContact OE2-NH1 3.08Å; E42-R290 PolarHBondContact OE2-NH1 3.03Å
43R98.1Very high97.2Very high4 Ų417.7 Ų17.72%0.01511%0.111CC..Hα-helixtrans-58.6-46.3175.717870-173.5-169.93.6110.8A39 P40 K45 L46 L47 I73 F82 L153 G154 D156A39-R43 PolarHBondContact O-N 2.93Å; P40-R43 WeakPolarHBondContact O-CB 3.29Å; P40-R43 PolarHBondContact O-N 2.81Å; R43-K45 PolarHBondContact O-N 2.83Å; R43-L46 PolarHBondContact O-N 3.47Å; R43-L47 HydrophobicContact CG-CD1 4.13Å; R43-L47 WeakPolarHBondContact O-CG 3.49Å; R43-L47 PolarHBondContact O-N 3.46Å; R43-I73 HydrophobicContact CG-CD1 4.19Å; R43-F82 WeakPolarHBondContact CB-O 3.14Å; R43-L153 PolarHBondContact NH1-O 3.43Å; R43-G154 WeakPolarHBondContact CD-O 3.29Å; R43-G154 PolarHBondContact NE-O 3.49Å; R43-G154 PolarHBondContact NH1-O 3.02Å; R43-D156 PolarHBondContact NH2-O 2.79Å
44V98.3Very high97.3Very high0 Ų015.2 Ų15.20%010%0.096CC..Hα-helixtrans-60.7-44.4175.8174.20000111.6P40 I41 E42 L46 L48 M66 C69 L70 I73 F82P40-V44 WeakPolarHBondContact O-CG2 3.4Å; P40-V44 PolarHBondContact O-N 2.82Å; I41-V44 PolarHBondContact O-N 3.18Å; E42-V44 VanDerWaalsContact C-N 3.32Å; E42-V44 PolarHBondContact O-N 2.76Å; V44-L46 PolarHBondContact O-N 3.29Å; V44-L48 HydrophobicContact CG1-CD1 3.79Å; V44-L48 HydrophobicContact CG1-CG 4.34Å; V44-L48 WeakPolarHBondContact O-CB 3.39Å; V44-L48 VanDerWaalsContact O-CG 3.32Å; V44-L48 WeakPolarHBondContact O-CG 3.21Å; V44-L48 PolarHBondContact O-N 3.11Å; V44-M66 HydrophobicContact CG1-CB 4.09Å; V44-M66 HydrophobicContact CG1-CG 3.82Å; V44-C69 HydrophobicContact CB-CB 4.2Å; V44-C69 HydrophobicContact CG1-CB 3.68Å; V44-C69 HydrophobicContact CG2-CB 3.77Å; V44-L70 HydrophobicContact CG2-CD2 3.78Å; V44-L70 HydrophobicContact CG2-CG 4.02Å; V44-I73 HydrophobicContact CG2-CD1 4.05Å; V44-F82 HydrophobicContact CG2-CE1 4.47Å
45K98.4Very high97.1Very high5 Ų521.1 Ų21.12%0.02212%0.12CC..Hα-helixtrans-53.1-55.8174.5179-155.8165.1175.40110.5I41 E42 R43 L47 L48 Q49 Y241 D244 N287I41-K45 PolarHBondContact O-N 3.17Å; E42-K45 WeakPolarHBondContact O-CB 3.4Å; E42-K45 PolarHBondContact O-N 3.32Å; R43-K45 PolarHBondContact O-N 2.83Å; K45-L47 PolarHBondContact O-N 3.06Å; K45-L48 PolarHBondContact O-N 3.3Å; K45-Q49 VanDerWaalsContact O-CB 3.24Å; K45-Q49 WeakPolarHBondContact O-CB 3.43Å; K45-Q49 PolarHBondContact O-N 2.88Å; K45-Y241 WeakPolarHBondContact CE-OH 3.37Å; K45-D244 WeakPolarHBondContact CE-OD2 3.3Å; K45-D244 IonicContact NZ-OD2 2.73Å; K45-D244 PolarHBondContact NZ-OD2 3.37Å; K45-N287 HydrophobicContact CD-CB 3.81Å; K45-N287 WeakPolarHBondContact CE-OD1 3.32Å; K45-N287 HydrophobicContact CG-CB 4.14Å; K45-N287 PolarHBondContact NZ-OD1 3.3Å
46L98.5Very high97.1Very high4 Ų421.8 Ų21.82%0.02112%0.124CC..Hα-helixtrans-62.9-45.2-173.1-67.9174.9000111.6E42 R43 V44 Q49 V50 T151 V155E42-L46 HydrophobicContact CG-CD1 4.17Å; E42-L46 HydrophobicContact CG-CG 4.42Å; E42-L46 WeakPolarHBondContact O-CG 3.42Å; E42-L46 PolarHBondContact O-N 2.63Å; R43-L46 PolarHBondContact O-N 3.47Å; V44-L46 PolarHBondContact O-N 3.29Å; L46-Q49 PolarHBondContact O-N 3.03Å; L46-V50 WeakPolarHBondContact O-CG2 3.49Å; L46-V50 PolarHBondContact O-N 3.34Å; L46-V50 VanDerWaalsContact O-N 3.09Å; L46-T151 HydrophobicContact CD2-CG2 4.5Å; L46-V155 HydrophobicContact CB-CG1 3.53Å
47L98.4Very high97Very high1 Ų119.6 Ų19.61%0.00511%0.11CC..Hα-helixtrans-59.9-48.4176.7-74.9169.2000111.5R43 K45 Q49 V50 Q51 I57 Y63 I73 V155 I157R43-L47 HydrophobicContact CG-CD1 4.13Å; R43-L47 WeakPolarHBondContact O-CG 3.49Å; R43-L47 PolarHBondContact O-N 3.46Å; K45-L47 PolarHBondContact O-N 3.06Å; L47-Q49 VanDerWaalsContact C-N 3.29Å; L47-Q49 PolarHBondContact O-N 3.35Å; L47-V50 PolarHBondContact O-N 2.97Å; L47-Q51 WeakPolarHBondContact O-CB 3.31Å; L47-Q51 WeakPolarHBondContact O-CG 3.16Å; L47-Q51 PolarHBondContact O-N 3.09Å; L47-I57 HydrophobicContact CD2-CD1 4.31Å; L47-Y63 HydrophobicContact CB-CD2 4.33Å; L47-Y63 HydrophobicContact CB-CE2 4.31Å; L47-Y63 HydrophobicContact CD1-CE2 4.11Å; L47-Y63 HydrophobicContact CD2-CE2 4.28Å; L47-Y63 HydrophobicContact CG-CE2 4.48Å; L47-I73 HydrophobicContact CD1-CD1 3.55Å; L47-I73 HydrophobicContact CD1-CG1 3.88Å; L47-V155 HydrophobicContact CD2-CB 4.28Å; L47-I157 HydrophobicContact CD2-CG2 3.84Å
48L98.3Very high96.9Very high11 Ų1119.4 Ų19.46%0.05811%0.105CC..Hα-helixtrans-61.5-38.6178.9-72.1173.8000112.7V44 K45 Q51 M66 R282V44-L48 HydrophobicContact CG1-CD1 3.79Å; V44-L48 HydrophobicContact CG1-CG 4.34Å; V44-L48 WeakPolarHBondContact O-CB 3.39Å; V44-L48 VanDerWaalsContact O-CG 3.32Å; V44-L48 WeakPolarHBondContact O-CG 3.21Å; V44-L48 PolarHBondContact O-N 3.11Å; K45-L48 PolarHBondContact O-N 3.3Å; L48-Q51 PolarHBondContact O-NE2 3.05Å; L48-M66 HydrophobicContact CD1-CB 4.47Å; L48-R282 WeakPolarHBondContact O-CB 3.41Å
49Q98.1Very high96.8Very high0 Ų022.1 Ų22.10%012%0.123CC..Hα-helixtrans-72.5-33.8-175.3-169.5174.536.100112.8K45 L46 L47 Y241 D244 T245 R249K45-Q49 VanDerWaalsContact O-CB 3.24Å; K45-Q49 WeakPolarHBondContact O-CB 3.43Å; K45-Q49 PolarHBondContact O-N 2.88Å; L46-Q49 PolarHBondContact O-N 3.03Å; L47-Q49 VanDerWaalsContact C-N 3.29Å; L47-Q49 PolarHBondContact O-N 3.35Å; Q49-Y241 PolarHBondContact NE2-OH 3.02Å; Q49-D244 PolarHBondContact NE2-OD2 3.04Å; Q49-T245 HydrophobicContact CG-CG2 4Å; Q49-T245 WeakPolarHBondContact CG-OG1 3.47Å; Q49-T245 PolarHBondContact NE2-OG1 3.49Å; Q49-R249 PolarHBondContact O-NE 2.94Å; Q49-R249 PolarHBondContact O-NH2 3.21Å
50V97.7Very high96.6Very high1 Ų129.3 Ų29.31%0.00616%0.156CC..Hα-helixtrans-115.6-6.7-172.8-44.40000115.8L46 L47 A52 S53 S54 V155 R248 M252L46-V50 WeakPolarHBondContact O-CG2 3.49Å; L46-V50 PolarHBondContact O-N 3.34Å; L46-V50 VanDerWaalsContact O-N 3.09Å; L47-V50 PolarHBondContact O-N 2.97Å; V50-A52 PolarHBondContact O-N 3.23Å; V50-S53 CarbonylContact O-C 3.56Å; V50-S53 WeakPolarHBondContact O-CA 3.4Å; V50-S53 PolarHBondContact O-N 2.89Å; V50-S54 PolarHBondContact O-N 3.07Å; V50-V155 HydrophobicContact CG2-CB 3.71Å; V50-V155 HydrophobicContact CG2-CG1 3.49Å; V50-V155 VanDerWaalsContact CG2-CG1 3.49Å; V50-V155 HydrophobicContact CG2-CG2 3.93Å; V50-R248 HydrophobicContact CG1-CB 3.42Å; V50-R248 VanDerWaalsContact CG1-CB 3.42Å; V50-R248 HydrophobicContact CG1-CG 4.44Å; V50-M252 HydrophobicContact CB-CG 3.88Å; V50-M252 HydrophobicContact CB-SD 4.43Å; V50-M252 HydrophobicContact CG1-CG 4.33Å; V50-M252 HydrophobicContact CG2-CE 4.11Å; V50-M252 HydrophobicContact CG2-CG 4.04Å; V50-M252 HydrophobicContact CG2-SD 3.96Å
51Q97.4Very high96.5Very high3 Ų330.1 Ų30.11%0.01416%0.164CC..G310 helixtrans-51.6-34.5-173.854.4-176.4-34.600114.7L47 L48 S53 S54 I57 R62 Y63L47-Q51 WeakPolarHBondContact O-CB 3.31Å; L47-Q51 WeakPolarHBondContact O-CG 3.16Å; L47-Q51 PolarHBondContact O-N 3.09Å; L48-Q51 PolarHBondContact O-NE2 3.05Å; Q51-S53 PolarHBondContact O-N 3.5Å; Q51-S54 WeakPolarHBondContact O-CB 3.41Å; Q51-S54 PolarHBondContact O-N 2.97Å; Q51-S54 VanDerWaalsContact O-N 3.11Å; Q51-I57 HydrophobicContact CB-CD1 4.04Å; Q51-R62 VanDerWaalsContact OE1-CB 3.29Å; Q51-Y63 PolarHBondContact NE2-O 3.08Å; Q51-Y63 PolarHBondContact OE1-O 3.2Å
52A95.9Very high96.5Very high21 Ų2132.5 Ų32.517%0.17417%0.171CC..G310 helixtrans-74.3-12.2178.500000113.9V50 R249 E275V50-A52 PolarHBondContact O-N 3.23Å; A52-R249 VanDerWaalsContact C-NH1 3.26Å; A52-E275 WeakPolarHBondContact CB-OE2 3.32Å
53S95.9Very high96.5Very high2 Ų232.3 Ų32.31%0.01417%0.17CC..G310 helixtrans-100.9-3.9167.8-65.80000113.5V50 Q51 R249 Q260 Y261V50-S53 CarbonylContact O-C 3.56Å; V50-S53 WeakPolarHBondContact O-CA 3.4Å; V50-S53 PolarHBondContact O-N 2.89Å; Q51-S53 PolarHBondContact O-N 3.5Å; S53-R249 VanDerWaalsContact N-NH1 3.17Å; S53-R249 WeakPolarHBondContact OG-CD 3.16Å; S53-R249 PolarHBondContact OG-NH1 2.91Å; S53-R249 VanDerWaalsContact OG-NH1 3.07Å; S53-Q260 PolarHBondContact O-NE2 3.46Å; S53-Q260 PolarHBondContact OG-OE1 3.36Å; S53-Q260 VanDerWaalsContact OG-OE1 3.06Å; S53-Y261 PolarHBondContact OG-OH 2.97Å
54S94.6Very high96.5Very high11 Ų1141 Ų418%0.07721%0.207CC..  trans-73.4137.6175.7-176.10000110.3V50 Q51 Q56V50-S54 PolarHBondContact O-N 3.07Å; Q51-S54 WeakPolarHBondContact O-CB 3.41Å; Q51-S54 PolarHBondContact O-N 2.97Å; Q51-S54 VanDerWaalsContact O-N 3.11Å; S54-Q56 PolarHBondContact OG-N 2.86Å
55K92.2Very high96.4Very high137 Ų13742.1 Ų42.160%0.59622%0.219SC*.SBendtrans-88.3-16.4169.7-66.2-59.7-170.8-1780113.2
56Q94.1Very high96.4Very high49 Ų4943.3 Ų43.323%0.22923%0.225CC..SBendtrans-82-20.4177-63.8175-66.900112.6S54 D156 I157 E163 Q165S54-Q56 PolarHBondContact OG-N 2.86Å; Q56-D156 PolarHBondContact NE2-OD1 2.65Å; Q56-D156 PolarHBondContact OE1-OD1 3.01Å; Q56-I157 HydrophobicContact CB-CD1 3.7Å; Q56-I157 HydrophobicContact CB-CG1 3.46Å; Q56-I157 VanDerWaalsContact CB-CG1 3.46Å; Q56-I157 HydrophobicContact CG-CG1 4.2Å; Q56-I157 PolarHBondContact NE2-O 2.89Å; Q56-I157 VanDerWaalsContact OE1-N 3.16Å; Q56-E163 PolarHBondContact NE2-O 2.89Å; Q56-Q165 HydrophobicContact CG-CG 4.3Å
57I95.2Very high96.3Very high10 Ų1048.3 Ų48.35%0.05126%0.256CS..SBendtrans-108.4110-177.1-59169.1000108.8L47 Q51 A61 R62 Y63 I157L47-I57 HydrophobicContact CD2-CD1 4.31Å; Q51-I57 HydrophobicContact CB-CD1 4.04Å; I57-A61 HydrophobicContact CG2-CB 4.31Å; I57-R62 HydrophobicContact CG2-CB 4.44Å; I57-R62 HydrophobicContact CG2-CG 3.84Å; I57-Y63 HydrophobicContact CD1-CE2 4.09Å; I57-I157 HydrophobicContact CD1-CD1 4.47Å; I57-I157 HydrophobicContact CD1-CG2 4.43Å; I57-I157 HydrophobicContact CG1-CD1 3.6Å; I57-I157 HydrophobicContact CG1-CG1 4.49Å
58S94.9Very high96.3Very high53 Ų5350 Ų5037%0.37127%0.265SS..  trans-64.7155.7172.387.20000110.8E60 A61 R62S58-E60 VanDerWaalsContact CB-OE2 3.29Å; S58-E60 WeakPolarHBondContact CB-OE2 3.32Å; S58-E60 PolarHBondContact O-N 3.03Å; S58-E60 VanDerWaalsContact O-N 3.16Å; S58-E60 PolarHBondContact OG-OE2 3.32Å; S58-A61 PolarHBondContact O-N 2.93Å; S58-A61 PolarHBondContact OG-N 3.44Å; S58-R62 PolarHBondContact O-N 3.25Å
59P94.6Very high96.3Very high77 Ų7749.5 Ų49.550%0.526%0.262SS..THydrogen-bonded Turntrans-51.7-36.9178.5-26.435.2000114.4R62P59-R62 WeakPolarHBondContact O-CB 3.39Å; P59-R62 WeakPolarHBondContact O-CD 3.43Å; P59-R62 WeakPolarHBondContact O-CG 3.03Å
60E95.6Very high96.3Very high156 Ų15652.5 Ų52.573%0.72928%0.278SS*.THydrogen-bonded Turntrans-76.1-30.9-178.7-50.768.6-142.500111.7S58 R62S58-E60 VanDerWaalsContact CB-OE2 3.29Å; S58-E60 WeakPolarHBondContact CB-OE2 3.32Å; S58-E60 PolarHBondContact O-N 3.03Å; S58-E60 VanDerWaalsContact O-N 3.16Å; S58-E60 PolarHBondContact OG-OE2 3.32Å; E60-R62 VanDerWaalsContact C-N 3.31Å
61A95.8Very high96.3Very high40 Ų4055.2 Ų55.233%0.33129%0.294SS..THydrogen-bonded Turntrans-83.5-2.2178.400000113.5I57 S58 R72I57-A61 HydrophobicContact CG2-CB 4.31Å; S58-A61 PolarHBondContact O-N 2.93Å; S58-A61 PolarHBondContact OG-N 3.44Å; A61-R72 PolarHBondContact O-NH1 3.41Å; A61-R72 PolarHBondContact O-NH2 3.23Å
62R97.6Very high96.4Very high90 Ų9057.3 Ų57.334%0.3430%0.302SS..  trans-57.7145.5179.8-73.8175.5-176.9166.81.9112Q51 I57 S58 P59 E60 R72Q51-R62 VanDerWaalsContact OE1-CB 3.29Å; I57-R62 HydrophobicContact CG2-CB 4.44Å; I57-R62 HydrophobicContact CG2-CG 3.84Å; S58-R62 PolarHBondContact O-N 3.25Å; P59-R62 WeakPolarHBondContact O-CB 3.39Å; P59-R62 WeakPolarHBondContact O-CD 3.43Å; P59-R62 WeakPolarHBondContact O-CG 3.03Å; E60-R62 VanDerWaalsContact C-N 3.31Å; R62-R72 PolarHBondContact O-NH1 2.89Å; R62-R72 VanDerWaalsContact O-NH1 3.16Å
63Y97.7Very high96.5Very high4 Ų456.3 Ų56.32%0.01629%0.294CS..  trans-74.8132.9177.2-60.6-76.9000111L47 Q51 I57 D68 C69 R72 E76 Q77L47-Y63 HydrophobicContact CB-CD2 4.33Å; L47-Y63 HydrophobicContact CB-CE2 4.31Å; L47-Y63 HydrophobicContact CD1-CE2 4.11Å; L47-Y63 HydrophobicContact CD2-CE2 4.28Å; L47-Y63 HydrophobicContact CG-CE2 4.48Å; Q51-Y63 PolarHBondContact NE2-O 3.08Å; Q51-Y63 PolarHBondContact OE1-O 3.2Å; I57-Y63 HydrophobicContact CD1-CE2 4.09Å; Y63-D68 VanDerWaalsContact CA-OD2 3.31Å; Y63-D68 WeakPolarHBondContact CA-OD2 3.36Å; Y63-C69 WeakPolarHBondContact CB-SG 3.46Å; Y63-C69 HydrophobicContact CD1-CB 4.29Å; Y63-C69 HydrophobicContact CG-CB 4.45Å; Y63-R72 HydrophobicContact CD1-CB 4.25Å; Y63-R72 HydrophobicContact CE1-CB 3.74Å; Y63-E76 PolarHBondContact OH-OE2 3.21Å; Y63-Q77 PolarHBondContact OH-NE2 3.4Å; Y63-Q77 VanDerWaalsContact OH-NE2 3.07Å
64K96.6Very high96.6Very high185 Ų18558.1 Ų58.180%0.80431%0.306SS*.  trans-75.7-26.3-176.8-62.8178.6-179.1177.60112.7D68K64-D68 HydrophobicContact CB-CB 4.1Å; K64-D68 PolarHBondContact N-OD2 3.42Å
65G97.1Very high96.7Very high24 Ų2466.7 Ų66.725%0.24734%0.336CS..SBendtrans175.2-171.6-179.100000112.1V67 D68 C69G65-V67 PolarHBondContact O-N 3.2Å; G65-D68 PolarHBondContact O-N 2.82Å; G65-C69 PolarHBondContact O-N 2.89Å; G65-C69 PolarHBondContact O-SG 3.1Å
66M97.4Very high96.8Very high31 Ų3163.3 Ų63.315%0.15332%0.323CS..Hα-helixtrans-60.1-48-176177.7-170.8-72.300112.9V44 L48 D68 C69 L70 F285 S286 L289V44-M66 HydrophobicContact CG1-CB 4.09Å; V44-M66 HydrophobicContact CG1-CG 3.82Å; L48-M66 HydrophobicContact CD1-CB 4.47Å; M66-D68 VanDerWaalsContact C-N 3.32Å; M66-D68 PolarHBondContact O-N 2.86Å; M66-C69 WeakPolarHBondContact O-CB 3.44Å; M66-C69 PolarHBondContact O-N 3.32Å; M66-L70 HydrophobicContact CG-CD1 4.05Å; M66-L70 WeakPolarHBondContact O-CG 3.17Å; M66-L70 PolarHBondContact O-N 2.84Å; M66-F285 HydrophobicContact CE-CD1 3.3Å; M66-F285 HydrophobicContact CE-CE1 3.75Å; M66-F285 HydrophobicContact CE-CG 4.21Å; M66-F285 HydrophobicContact SD-CD1 4.08Å; M66-F285 HydrophobicContact SD-CE1 4.01Å; M66-S286 WeakPolarHBondContact CE-OG 3.46Å; M66-L289 HydrophobicContact CE-CD1 3.77Å; M66-L289 HydrophobicContact SD-CD1 3.92Å
67V98Very high97Very high108 Ų10861.3 Ų61.366%0.65531%0.313SS*.Hα-helixtrans-62.6-43-179.8179.20000110.5G65 C69 L70 V71G65-V67 PolarHBondContact O-N 3.2Å; V67-C69 VanDerWaalsContact C-N 3.35Å; V67-C69 PolarHBondContact O-N 3.07Å; V67-L70 PolarHBondContact O-N 3.35Å; V67-L70 VanDerWaalsContact O-N 3.16Å; V67-V71 HydrophobicContact CG1-CG2 4.39Å; V67-V71 WeakPolarHBondContact O-CG2 3.5Å; V67-V71 PolarHBondContact O-N 3.22Å
68D98.3Very high97Very high38 Ų3862.4 Ų62.420%0.20333%0.327CS..Hα-helixtrans-58.9-44.8175.6-171.155.5000111.5Y63 K64 G65 M66 V71 R72Y63-D68 VanDerWaalsContact CA-OD2 3.31Å; Y63-D68 WeakPolarHBondContact CA-OD2 3.36Å; K64-D68 HydrophobicContact CB-CB 4.1Å; K64-D68 PolarHBondContact N-OD2 3.42Å; G65-D68 PolarHBondContact O-N 2.82Å; M66-D68 VanDerWaalsContact C-N 3.32Å; M66-D68 PolarHBondContact O-N 2.86Å; D68-V71 PolarHBondContact O-N 3.15Å; D68-R72 VanDerWaalsContact CG-CD 3.42Å; D68-R72 WeakPolarHBondContact O-CB 3.31Å; D68-R72 VanDerWaalsContact O-CG 3.32Å; D68-R72 WeakPolarHBondContact O-CG 3.24Å; D68-R72 PolarHBondContact O-N 3.33Å; D68-R72 WeakPolarHBondContact OD1-CD 3.36Å; D68-R72 WeakPolarHBondContact OD2-CD 3.09Å; D68-R72 IonicContact OD2-CZ 3.6Å; D68-R72 IonicContact OD2-NH1 3.31Å; D68-R72 PolarHBondContact OD2-NH1 3.35Å
69C98.3Very high97.1Very high0 Ų065.6 Ų65.60%033%0.334CS..Hα-helixtrans-59.1-48.6172.4-68.30000112.3V44 Y63 G65 M66 V67 V71 R72 I73V44-C69 HydrophobicContact CB-CB 4.2Å; V44-C69 HydrophobicContact CG1-CB 3.68Å; V44-C69 HydrophobicContact CG2-CB 3.77Å; Y63-C69 WeakPolarHBondContact CB-SG 3.46Å; Y63-C69 HydrophobicContact CD1-CB 4.29Å; Y63-C69 HydrophobicContact CG-CB 4.45Å; G65-C69 PolarHBondContact O-N 2.89Å; G65-C69 PolarHBondContact O-SG 3.1Å; M66-C69 WeakPolarHBondContact O-CB 3.44Å; M66-C69 PolarHBondContact O-N 3.32Å; V67-C69 VanDerWaalsContact C-N 3.35Å; V67-C69 PolarHBondContact O-N 3.07Å; C69-V71 VanDerWaalsContact C-N 3.25Å; C69-V71 PolarHBondContact O-N 3.01Å; C69-R72 PolarHBondContact O-N 3.02Å; C69-I73 HydrophobicContact CB-CD1 3.95Å; C69-I73 VanDerWaalsContact O-CB 3.27Å; C69-I73 WeakPolarHBondContact O-CB 3.49Å; C69-I73 VanDerWaalsContact O-CD1 3.29Å; C69-I73 WeakPolarHBondContact O-CD1 3.24Å; C69-I73 WeakPolarHBondContact O-CG1 3.3Å; C69-I73 PolarHBondContact O-N 3.38Å
70L98.1Very high97.2Very high62 Ų6270.1 Ų70.133%0.32535%0.346SS..Hα-helixtrans-61.5-34.2-177.8-72.3169.4000112.4I41 V44 M66 V67 P74 F82I41-L70 HydrophobicContact CD1-CD2 4.4Å; V44-L70 HydrophobicContact CG2-CD2 3.78Å; V44-L70 HydrophobicContact CG2-CG 4.02Å; M66-L70 HydrophobicContact CG-CD1 4.05Å; M66-L70 WeakPolarHBondContact O-CG 3.17Å; M66-L70 PolarHBondContact O-N 2.84Å; V67-L70 PolarHBondContact O-N 3.35Å; V67-L70 VanDerWaalsContact O-N 3.16Å; L70-P74 WeakPolarHBondContact O-CD 3.17Å; L70-P74 WeakPolarHBondContact O-CG 3.33Å; L70-F82 HydrophobicContact CD2-CE1 3.92Å; L70-F82 HydrophobicContact CD2-CZ 4.12Å
71V98.2Very high97.2Very high58 Ų5862.9 Ų62.935%0.35231%0.313SS..Hα-helixtrans-79.1-42177.5173.30000111.6V67 D68 C69 R75V67-V71 HydrophobicContact CG1-CG2 4.39Å; V67-V71 WeakPolarHBondContact O-CG2 3.5Å; V67-V71 PolarHBondContact O-N 3.22Å; D68-V71 PolarHBondContact O-N 3.15Å; C69-V71 VanDerWaalsContact C-N 3.25Å; C69-V71 PolarHBondContact O-N 3.01Å; V71-R75 WeakPolarHBondContact O-CG 3.38Å
72R98Very high97.3Very high47 Ų4761.7 Ų61.718%0.17730%0.3CS..Hα-helixtrans-83.3-38-171.4-73.1174.360-163.9-3.6113.9A61 R62 Y63 D68 C69 R75 E76A61-R72 PolarHBondContact O-NH1 3.41Å; A61-R72 PolarHBondContact O-NH2 3.23Å; R62-R72 PolarHBondContact O-NH1 2.89Å; R62-R72 VanDerWaalsContact O-NH1 3.16Å; Y63-R72 HydrophobicContact CD1-CB 4.25Å; Y63-R72 HydrophobicContact CE1-CB 3.74Å; D68-R72 VanDerWaalsContact CG-CD 3.42Å; D68-R72 WeakPolarHBondContact O-CB 3.31Å; D68-R72 VanDerWaalsContact O-CG 3.32Å; D68-R72 WeakPolarHBondContact O-CG 3.24Å; D68-R72 PolarHBondContact O-N 3.33Å; D68-R72 WeakPolarHBondContact OD1-CD 3.36Å; D68-R72 WeakPolarHBondContact OD2-CD 3.09Å; D68-R72 IonicContact OD2-CZ 3.6Å; D68-R72 IonicContact OD2-NH1 3.31Å; D68-R72 PolarHBondContact OD2-NH1 3.35Å; C69-R72 PolarHBondContact O-N 3.02Å; R72-R75 PolarHBondContact O-N 3.47Å; R72-R75 VanDerWaalsContact O-N 3.07Å; R72-E76 HydrophobicContact CB-CG 4.42Å; R72-E76 IonicContact CZ-OE1 3.96Å; R72-E76 IonicContact NE-OE1 2.62Å; R72-E76 PolarHBondContact NE-OE1 3.41Å; R72-E76 IonicContact NH2-OE1 3.19Å; R72-E76 PolarHBondContact NH2-OE1 2.91Å; R72-E76 IonicContact NH2-OE2 3.05Å; R72-E76 WeakPolarHBondContact O-CB 3.28Å; R72-E76 VanDerWaalsContact O-CG 3.32Å; R72-E76 WeakPolarHBondContact O-CG 3.27Å; R72-E76 PolarHBondContact O-N 3.32Å
73I98Very high97.3Very high0 Ų061.1 Ų61.10%030%0.298CS..Hα-helixtrans-49.7-53.3178.9-72.2164.1000112.5R43 V44 L47 C69 R75 E76 Q77 S81 F82R43-I73 HydrophobicContact CG-CD1 4.19Å; V44-I73 HydrophobicContact CG2-CD1 4.05Å; L47-I73 HydrophobicContact CD1-CD1 3.55Å; L47-I73 HydrophobicContact CD1-CG1 3.88Å; C69-I73 HydrophobicContact CB-CD1 3.95Å; C69-I73 VanDerWaalsContact O-CB 3.27Å; C69-I73 WeakPolarHBondContact O-CB 3.49Å; C69-I73 VanDerWaalsContact O-CD1 3.29Å; C69-I73 WeakPolarHBondContact O-CD1 3.24Å; C69-I73 WeakPolarHBondContact O-CG1 3.3Å; C69-I73 PolarHBondContact O-N 3.38Å; I73-R75 VanDerWaalsContact C-N 3.32Å; I73-R75 PolarHBondContact O-N 3.41Å; I73-E76 PolarHBondContact O-N 3.47Å; I73-Q77 WeakPolarHBondContact O-CA 3.19Å; I73-Q77 WeakPolarHBondContact O-CB 3.48Å; I73-Q77 PolarHBondContact O-N 2.69Å; I73-S81 WeakPolarHBondContact CG2-OG 3.31Å; I73-F82 HydrophobicContact CB-CD1 4.45Å; I73-F82 HydrophobicContact CB-CE1 3.86Å; I73-F82 HydrophobicContact CB-CZ 4.02Å; I73-F82 HydrophobicContact CD1-CD1 4.16Å; I73-F82 HydrophobicContact CD1-CE1 3.69Å; I73-F82 HydrophobicContact CG1-CE1 4.4Å; I73-F82 HydrophobicContact CG2-CD1 3.86Å; I73-F82 HydrophobicContact CG2-CD2 4.48Å; I73-F82 HydrophobicContact CG2-CE1 3.75Å; I73-F82 HydrophobicContact CG2-CE2 4.38Å; I73-F82 HydrophobicContact CG2-CG 4.23Å; I73-F82 HydrophobicContact CG2-CZ 4.03Å
74P97.4Very high97.3Very high41 Ų4162.6 Ų62.627%0.26630%0.304SS..Hα-helixtrans-66.6-33.2-179.325.1-33.9000112.8L70 G78 F82L70-P74 WeakPolarHBondContact O-CD 3.17Å; L70-P74 WeakPolarHBondContact O-CG 3.33Å; P74-G78 CarbonylContact O-C 3.59Å; P74-G78 WeakPolarHBondContact O-CA 3.49Å; P74-G78 PolarHBondContact O-N 2.95Å; P74-F82 HydrophobicContact CB-CE2 4.3Å; P74-F82 HydrophobicContact CG-CE2 4.12Å; P74-F82 HydrophobicContact CG-CZ 4.32Å
75R96.7Very high97.3Very high190 Ų19054.3 Ų54.372%0.71727%0.271SS*.Hα-helixtrans-70.7-41.2177.8-67.1178.3178.5177.6-0.1112.4V71 R72 I73V71-R75 WeakPolarHBondContact O-CG 3.38Å; R72-R75 PolarHBondContact O-N 3.47Å; R72-R75 VanDerWaalsContact O-N 3.07Å; I73-R75 VanDerWaalsContact C-N 3.32Å; I73-R75 PolarHBondContact O-N 3.41Å
76E96Very high97.3Very high66 Ų6653.9 Ų53.931%0.30826%0.263SS..Hα-helixtrans-86.4-32.4-175-67.1171.4171.900112.8Y63 R72 I73 K159Y63-E76 PolarHBondContact OH-OE2 3.21Å; R72-E76 HydrophobicContact CB-CG 4.42Å; R72-E76 IonicContact CZ-OE1 3.96Å; R72-E76 IonicContact NE-OE1 2.62Å; R72-E76 PolarHBondContact NE-OE1 3.41Å; R72-E76 IonicContact NH2-OE1 3.19Å; R72-E76 PolarHBondContact NH2-OE1 2.91Å; R72-E76 IonicContact NH2-OE2 3.05Å; R72-E76 WeakPolarHBondContact O-CB 3.28Å; R72-E76 VanDerWaalsContact O-CG 3.32Å; R72-E76 WeakPolarHBondContact O-CG 3.27Å; R72-E76 PolarHBondContact O-N 3.32Å; I73-E76 PolarHBondContact O-N 3.47Å; E76-K159 WeakPolarHBondContact O-CE 3.09Å; E76-K159 WeakPolarHBondContact O-CG 3.39Å
77Q96.5Very high97.3Very high8 Ų858.1 Ų58.14%0.03729%0.286CS..Hα-helixtrans-129.3-5-166.9-58.9168.258.900113.4Y63 I73 S81 I157Y63-Q77 PolarHBondContact OH-NE2 3.4Å; Y63-Q77 VanDerWaalsContact OH-NE2 3.07Å; I73-Q77 WeakPolarHBondContact O-CA 3.19Å; I73-Q77 WeakPolarHBondContact O-CB 3.48Å; I73-Q77 PolarHBondContact O-N 2.69Å; Q77-S81 WeakPolarHBondContact CB-OG 3.44Å; Q77-I157 HydrophobicContact CG-CB 4.43Å
78G96.6Very high97.2Very high32 Ų3253 Ų5333%0.3326%0.255SS..  trans85.9152.7-174.400000113.3P74 F80 S81P74-G78 CarbonylContact O-C 3.59Å; P74-G78 WeakPolarHBondContact O-CA 3.49Å; P74-G78 PolarHBondContact O-N 2.95Å; G78-F80 PolarHBondContact O-N 3.12Å; G78-S81 VanDerWaalsContact O-CB 3.24Å; G78-S81 WeakPolarHBondContact O-CB 3.45Å; G78-S81 PolarHBondContact O-N 3.23Å; G78-S81 VanDerWaalsContact O-N 3.1Å; G78-S81 PolarHBondContact O-OG 3.37Å
79F96.2Very high97.1Very high121 Ų12151.4 Ų51.453%0.53125%0.246SC..G310 helixtrans-56.6-45.2-172.5-179-102.4000114S81 F82 W83F79-S81 PolarHBondContact O-N 3.14Å; F79-S81 VanDerWaalsContact O-N 3.1Å; F79-F82 VanDerWaalsContact O-CD2 3.29Å; F79-F82 WeakPolarHBondContact O-CD2 3.33Å; F79-F82 PolarHBondContact O-N 2.9Å; F79-W83 HydrophobicContact CD1-CZ3 4.34Å; F79-W83 HydrophobicContact CE1-CH2 4.12Å; F79-W83 AromaticContact CE1-CZ3 3.91Å; F79-W83 HydrophobicContact CE1-CZ3 3.91Å; F79-W83 HydrophobicContact CZ-CH2 4.22Å; F79-W83 HydrophobicContact CZ-CZ3 4.3Å
80F96.5Very high97Very high171 Ų17152.4 Ų52.475%0.7525%0.252SS*.G310 helixtrans-69.7-8.5-178-63.9-67.5000114.3G78 F82 W83G78-F80 PolarHBondContact O-N 3.12Å; F80-F82 PolarHBondContact O-N 3.45Å; F80-W83 PolarHBondContact O-N 2.57Å
81S96.7Very high96.9Very high5 Ų552.6 Ų52.64%0.03525%0.253CS..G310 helixtrans-63.2-20.2176.368.40000113.4I73 Q77 G78 F79 W83 R84I73-S81 WeakPolarHBondContact CG2-OG 3.31Å; Q77-S81 WeakPolarHBondContact CB-OG 3.44Å; G78-S81 VanDerWaalsContact O-CB 3.24Å; G78-S81 WeakPolarHBondContact O-CB 3.45Å; G78-S81 PolarHBondContact O-N 3.23Å; G78-S81 VanDerWaalsContact O-N 3.1Å; G78-S81 PolarHBondContact O-OG 3.37Å; F79-S81 PolarHBondContact O-N 3.14Å; F79-S81 VanDerWaalsContact O-N 3.1Å; S81-W83 PolarHBondContact O-N 3.16Å; S81-R84 WeakPolarHBondContact O-CB 3.38Å; S81-R84 PolarHBondContact O-N 3.14Å
82F98Very high96.7Very high14 Ų1451.9 Ų51.96%0.06124%0.244CC..G310 helixtrans-56.8-29172.8-80.1-59000114P40 R43 V44 L70 I73 P74 F79 F80P40-F82 HydrophobicContact CB-CB 3.98Å; P40-F82 HydrophobicContact CB-CD1 3.79Å; P40-F82 HydrophobicContact CB-CE1 4.43Å; P40-F82 HydrophobicContact CB-CG 3.93Å; P40-F82 HydrophobicContact CG-CB 4.01Å; P40-F82 HydrophobicContact CG-CG 4.38Å; R43-F82 WeakPolarHBondContact CB-O 3.14Å; V44-F82 HydrophobicContact CG2-CE1 4.47Å; L70-F82 HydrophobicContact CD2-CE1 3.92Å; L70-F82 HydrophobicContact CD2-CZ 4.12Å; I73-F82 HydrophobicContact CB-CD1 4.45Å; I73-F82 HydrophobicContact CB-CE1 3.86Å; I73-F82 HydrophobicContact CB-CZ 4.02Å; I73-F82 HydrophobicContact CD1-CD1 4.16Å; I73-F82 HydrophobicContact CD1-CE1 3.69Å; I73-F82 HydrophobicContact CG1-CE1 4.4Å; I73-F82 HydrophobicContact CG2-CD1 3.86Å; I73-F82 HydrophobicContact CG2-CD2 4.48Å; I73-F82 HydrophobicContact CG2-CE1 3.75Å; I73-F82 HydrophobicContact CG2-CE2 4.38Å; I73-F82 HydrophobicContact CG2-CG 4.23Å; I73-F82 HydrophobicContact CG2-CZ 4.03Å; P74-F82 HydrophobicContact CB-CE2 4.3Å; P74-F82 HydrophobicContact CG-CE2 4.12Å; P74-F82 HydrophobicContact CG-CZ 4.32Å; F79-F82 VanDerWaalsContact O-CD2 3.29Å; F79-F82 WeakPolarHBondContact O-CD2 3.33Å; F79-F82 PolarHBondContact O-N 2.9Å; F80-F82 PolarHBondContact O-N 3.45Å
83W98Very high96.5Very high79 Ų7952.2 Ų52.230%0.29925%0.246SC..G310 helixtrans-95.77.1179.8-70.2-91.6000113.5T36 A39 P40 F79 F80 S81 G85 N86T36-W83 PolarHBondContact O-NE1 2.84Å; A39-W83 VanDerWaalsContact CB-CD1 3.41Å; A39-W83 HydrophobicContact CB-CG 4.16Å; P40-W83 HydrophobicContact CG-CH2 4.15Å; P40-W83 HydrophobicContact CG-CZ2 3.8Å; F79-W83 HydrophobicContact CD1-CZ3 4.34Å; F79-W83 HydrophobicContact CE1-CH2 4.12Å; F79-W83 AromaticContact CE1-CZ3 3.91Å; F79-W83 HydrophobicContact CE1-CZ3 3.91Å; F79-W83 HydrophobicContact CZ-CH2 4.22Å; F79-W83 HydrophobicContact CZ-CZ3 4.3Å; F80-W83 PolarHBondContact O-N 2.57Å; S81-W83 PolarHBondContact O-N 3.16Å; W83-G85 PolarHBondContact O-N 3.27Å; W83-N86 HydrophobicContact CB-CB 4.33Å; W83-N86 WeakPolarHBondContact O-CB 3.37Å; W83-N86 PolarHBondContact O-N 3.23Å
84R97.4Very high96.2Very high34 Ų3455.7 Ų55.713%0.12826%0.261CS..THydrogen-bonded Turntrans-63.6124.7-179.1-169173.8172.760.97.2110.7S81 N86 L153 G154 D156 F166S81-R84 WeakPolarHBondContact O-CB 3.38Å; S81-R84 PolarHBondContact O-N 3.14Å; R84-N86 VanDerWaalsContact C-N 3.32Å; R84-L153 WeakPolarHBondContact CD-O 3.42Å; R84-L153 VanDerWaalsContact CG-O 3.31Å; R84-L153 WeakPolarHBondContact CG-O 3.27Å; R84-L153 PolarHBondContact NE-O 2.87Å; R84-G154 WeakPolarHBondContact O-CA 3.2Å; R84-D156 WeakPolarHBondContact CD-O 3.37Å; R84-D156 IonicContact CZ-OD2 3.33Å; R84-D156 PolarHBondContact NE-O 3.41Å; R84-D156 IonicContact NE-OD2 3.9Å; R84-D156 IonicContact NH2-OD2 2.77Å; R84-D156 PolarHBondContact NH2-OD2 3.02Å; R84-F166 PolarHBondContact NH2-O 3.35Å
85G96.5Very high96Very high11 Ų1155.4 Ų55.411%0.11326%0.259CS..THydrogen-bonded Turntrans85.6-6.1-17300000114.7W83 L87 A88 N89W83-G85 PolarHBondContact O-N 3.27Å; G85-L87 VanDerWaalsContact C-N 3.32Å; G85-L87 PolarHBondContact O-N 2.85Å; G85-A88 PolarHBondContact O-N 3.27Å; G85-N89 PolarHBondContact O-N 3.22Å
86N97.4Very high95.8Very high15 Ų1548.1 Ų48.18%0.0824%0.236CC..Hα-helixtrans-66.9-31.8179.7-170.951.4000112.7K35 T36 A39 W83 R84 A88 N89 V90K35-N86 PolarHBondContact O-OD1 2.92Å; T36-N86 WeakPolarHBondContact CA-ND2 3.37Å; T36-N86 PolarHBondContact OG1-ND2 3.49Å; A39-N86 HydrophobicContact CB-CB 4.09Å; W83-N86 HydrophobicContact CB-CB 4.33Å; W83-N86 WeakPolarHBondContact O-CB 3.37Å; W83-N86 PolarHBondContact O-N 3.23Å; R84-N86 VanDerWaalsContact C-N 3.32Å; N86-A88 VanDerWaalsContact C-N 3.31Å; N86-A88 PolarHBondContact O-N 2.94Å; N86-N89 CarbonylContact O-C 3.54Å; N86-N89 WeakPolarHBondContact O-CA 3.49Å; N86-N89 VanDerWaalsContact O-CB 3.24Å; N86-N89 WeakPolarHBondContact O-CB 3.48Å; N86-N89 PolarHBondContact O-N 3.47Å; N86-N89 PolarHBondContact OD1-ND2 3.07Å; N86-N89 VanDerWaalsContact OD1-ND2 3.1Å; N86-V90 WeakPolarHBondContact O-CG2 3.25Å; N86-V90 PolarHBondContact O-N 3.14Å
87L96.2Very high95.5Very high121 Ų12147.8 Ų47.863%0.63423%0.234SC*.Hα-helixtrans-57.6-45.3173.9179.861.3000111.6G85 N89 V90 I91G85-L87 VanDerWaalsContact C-N 3.32Å; G85-L87 PolarHBondContact O-N 2.85Å; L87-N89 VanDerWaalsContact C-N 3.28Å; L87-N89 PolarHBondContact O-N 3.09Å; L87-V90 PolarHBondContact O-N 3Å; L87-I91 HydrophobicContact CD1-CD1 3.97Å; L87-I91 HydrophobicContact CD1-CG1 4.16Å; L87-I91 HydrophobicContact CD2-CD1 4.47Å; L87-I91 HydrophobicContact CG-CD1 3.85Å; L87-I91 HydrophobicContact CG-CG1 4.43Å; L87-I91 WeakPolarHBondContact O-CG1 3.44Å; L87-I91 PolarHBondContact O-N 3.12Å
88A96.7Very high95.2Very high1 Ų149.4 Ų49.41%0.00825%0.249CC..Hα-helixtrans-62.2-36.8175.300000111.8G85 N86 R92 R150 L169G85-A88 PolarHBondContact O-N 3.27Å; N86-A88 VanDerWaalsContact C-N 3.31Å; N86-A88 PolarHBondContact O-N 2.94Å; A88-R92 WeakPolarHBondContact O-CB 3.32Å; A88-R92 PolarHBondContact O-N 3.06Å; A88-R150 HydrophobicContact CB-CB 3.89Å; A88-L169 HydrophobicContact CB-CD1 3.96Å; A88-L169 HydrophobicContact CB-CD2 4.29Å
89N95.2Very high95Very high3 Ų348.9 Ų48.92%0.01624%0.239CC..Hα-helixtrans-63-40.7173.7176.129.1000113.1K35 G85 N86 L87 R150K35-N89 WeakPolarHBondContact CB-ND2 3.46Å; K35-N89 WeakPolarHBondContact CD-OD1 3.13Å; K35-N89 WeakPolarHBondContact CE-O 3.33Å; K35-N89 WeakPolarHBondContact CG-ND2 3.34Å; K35-N89 PolarHBondContact NZ-OD1 3.35Å; G85-N89 PolarHBondContact O-N 3.22Å; N86-N89 CarbonylContact O-C 3.54Å; N86-N89 WeakPolarHBondContact O-CA 3.49Å; N86-N89 VanDerWaalsContact O-CB 3.24Å; N86-N89 WeakPolarHBondContact O-CB 3.48Å; N86-N89 PolarHBondContact O-N 3.47Å; N86-N89 PolarHBondContact OD1-ND2 3.07Å; N86-N89 VanDerWaalsContact OD1-ND2 3.1Å; L87-N89 VanDerWaalsContact C-N 3.28Å; L87-N89 PolarHBondContact O-N 3.09Å; N89-R150 HydrophobicContact CB-CG 4.07Å; N89-R150 PolarHBondContact ND2-NH2 3.25Å; N89-R150 PolarHBondContact OD1-NH1 3.36Å; N89-R150 PolarHBondContact OD1-NH2 2.97Å
90V96.7Very high94.6Very high22 Ų2246.8 Ų46.813%0.13323%0.233CC..Hα-helixtrans-70.6-52178174.30000110.3A32 K35 N86 L87 R92 Y93 F94A32-V90 HydrophobicContact CB-CG1 3.73Å; A32-V90 HydrophobicContact CB-CG2 4.33Å; K35-V90 HydrophobicContact CB-CG2 4.22Å; K35-V90 HydrophobicContact CD-CG2 4.24Å; N86-V90 WeakPolarHBondContact O-CG2 3.25Å; N86-V90 PolarHBondContact O-N 3.14Å; L87-V90 PolarHBondContact O-N 3Å; V90-R92 PolarHBondContact O-N 3.33Å; V90-Y93 WeakPolarHBondContact O-CB 3.43Å; V90-Y93 PolarHBondContact O-N 3.32Å; V90-F94 HydrophobicContact CG1-CE2 4.41Å
91I96.1Very high94.1Very high66 Ų6644.1 Ų44.134%0.33822%0.221SC..Hα-helixtrans-54.5-43.4178.6-69.8171.7000110.8L87 Y93 F94 P95 L146 L169L87-I91 HydrophobicContact CD1-CD1 3.97Å; L87-I91 HydrophobicContact CD1-CG1 4.16Å; L87-I91 HydrophobicContact CD2-CD1 4.47Å; L87-I91 HydrophobicContact CG-CD1 3.85Å; L87-I91 HydrophobicContact CG-CG1 4.43Å; L87-I91 WeakPolarHBondContact O-CG1 3.44Å; L87-I91 PolarHBondContact O-N 3.12Å; I91-Y93 PolarHBondContact O-N 3.15Å; I91-Y93 VanDerWaalsContact O-N 3.09Å; I91-F94 PolarHBondContact O-N 3.41Å; I91-P95 WeakPolarHBondContact O-CD 2.93Å; I91-L146 HydrophobicContact CG2-CD1 4.17Å; I91-L146 HydrophobicContact CG2-CD2 4.25Å; I91-L169 HydrophobicContact CD1-CD2 3.84Å
92R94.8Very high93.8Very high43 Ų4346.4 Ų46.416%0.16224%0.24CC..THydrogen-bonded Turntrans-57.5-25.9179.5-169.9-175.963.378.7-12.9114A88 V90 F94 P95 T96 V143 L146 D147A88-R92 WeakPolarHBondContact O-CB 3.32Å; A88-R92 PolarHBondContact O-N 3.06Å; V90-R92 PolarHBondContact O-N 3.33Å; R92-F94 PolarHBondContact O-N 3.49Å; R92-P95 WeakPolarHBondContact O-CD 3.28Å; R92-T96 PolarHBondContact NH1-OG1 3.25Å; R92-T96 WeakPolarHBondContact O-CB 3.5Å; R92-T96 PolarHBondContact O-N 2.87Å; R92-T96 PolarHBondContact O-OG1 3.28Å; R92-V143 HydrophobicContact CG-CB 4.18Å; R92-V143 HydrophobicContact CG-CG2 4.49Å; R92-L146 HydrophobicContact CB-CB 4Å; R92-L146 HydrophobicContact CB-CD1 4.15Å; R92-L146 HydrophobicContact CG-CB 4Å; R92-L146 HydrophobicContact CG-CD1 4.35Å; R92-D147 WeakPolarHBondContact CD-OD1 3.46Å; R92-D147 IonicContact CZ-OD1 3.76Å; R92-D147 IonicContact NE-OD1 3.75Å; R92-D147 PolarHBondContact NE-OD1 3.45Å; R92-D147 IonicContact NH2-OD1 2.72Å
93Y92.6Very high93.3Very high53 Ų5349 Ų4921%0.20825%0.252CS..Hα-helixtrans-58.7-47.7179-176.9-100.1000111.9G27 A31 V90 I91 T96 Q97G27-Y93 WeakPolarHBondContact O-CE1 3.49Å; A31-Y93 HydrophobicContact CB-CD1 3.74Å; A31-Y93 HydrophobicContact CB-CD2 3.52Å; A31-Y93 HydrophobicContact CB-CE1 3.7Å; A31-Y93 HydrophobicContact CB-CE2 3.47Å; A31-Y93 VanDerWaalsContact CB-CE2 3.47Å; A31-Y93 HydrophobicContact CB-CG 3.64Å; V90-Y93 WeakPolarHBondContact O-CB 3.43Å; V90-Y93 PolarHBondContact O-N 3.32Å; I91-Y93 PolarHBondContact O-N 3.15Å; I91-Y93 VanDerWaalsContact O-N 3.09Å; Y93-T96 WeakPolarHBondContact O-CB 3.24Å; Y93-T96 PolarHBondContact O-N 3.27Å; Y93-Q97 HydrophobicContact CD1-CG 3.96Å; Y93-Q97 HydrophobicContact CD2-CG 4.28Å; Y93-Q97 HydrophobicContact CE1-CG 3.53Å; Y93-Q97 HydrophobicContact CE2-CG 3.89Å; Y93-Q97 HydrophobicContact CG-CG 4.32Å; Y93-Q97 VanDerWaalsContact CZ-CG 3.49Å; Y93-Q97 VanDerWaalsContact CZ-NE2 3.28Å; Y93-Q97 WeakPolarHBondContact O-CG 3.42Å; Y93-Q97 PolarHBondContact O-N 3.49Å; Y93-Q97 PolarHBondContact OH-NE2 3.33Å; Y93-Q97 VanDerWaalsContact OH-NE2 3.14Å
94F91.9Very high92.6Very high73 Ų7351.5 Ų51.532%0.3227%0.265SS..Hα-helixtrans-59.3-55.2-175.3-62.7-88.3000113.9L24 V90 I91 R92 T96 Q97 A98L24-F94 HydrophobicContact CD1-CD1 4.47Å; L24-F94 HydrophobicContact CG-CD1 4.35Å; V90-F94 HydrophobicContact CG1-CE2 4.41Å; I91-F94 PolarHBondContact O-N 3.41Å; R92-F94 PolarHBondContact O-N 3.49Å; F94-T96 VanDerWaalsContact C-N 3.28Å; F94-T96 PolarHBondContact O-N 3.36Å; F94-Q97 PolarHBondContact O-N 3.33Å; F94-A98 PolarHBondContact O-N 2.96Å
95P92.9Very high92Very high36 Ų3655.3 Ų55.323%0.23429%0.288CS..Hα-helixtrans-66.4-31.8177.127.8-34.1000111.7I91 R92 Q97 A98 L99 V143 L146I91-P95 WeakPolarHBondContact O-CD 2.93Å; R92-P95 WeakPolarHBondContact O-CD 3.28Å; P95-Q97 VanDerWaalsContact C-N 3.33Å; P95-Q97 PolarHBondContact O-N 2.98Å; P95-A98 PolarHBondContact O-N 3.38Å; P95-L99 WeakPolarHBondContact O-CB 3.32Å; P95-L99 WeakPolarHBondContact O-CD1 3.33Å; P95-L99 WeakPolarHBondContact O-CG 3.49Å; P95-L99 PolarHBondContact O-N 3.43Å; P95-V143 HydrophobicContact CB-CG1 3.95Å; P95-V143 HydrophobicContact CG-CG1 4Å; P95-L146 HydrophobicContact CG-CD1 3.91Å
96T92.6Very high91.7Very high36 Ų3661.1 Ų61.122%0.22131%0.31CS..Hα-helixtrans-61.6-43.4173.7-55.10000110.9R92 Y93 F94 N100R92-T96 PolarHBondContact NH1-OG1 3.25Å; R92-T96 WeakPolarHBondContact O-CB 3.5Å; R92-T96 PolarHBondContact O-N 2.87Å; R92-T96 PolarHBondContact O-OG1 3.28Å; Y93-T96 WeakPolarHBondContact O-CB 3.24Å; Y93-T96 PolarHBondContact O-N 3.27Å; F94-T96 VanDerWaalsContact C-N 3.28Å; F94-T96 PolarHBondContact O-N 3.36Å; T96-N100 WeakPolarHBondContact O-CB 3.43Å; T96-N100 PolarHBondContact O-N 3.15Å
97Q90.4Very high91.3Very high59 Ų5962 Ų6228%0.27631%0.312SS..Hα-helixtrans-70.3-40177.5-69.2-58.3-7.600112.6L24 Y93 F94 P95 L99 N100 F101L24-Q97 HydrophobicContact CD1-CB 3.96Å; Y93-Q97 HydrophobicContact CD1-CG 3.96Å; Y93-Q97 HydrophobicContact CD2-CG 4.28Å; Y93-Q97 HydrophobicContact CE1-CG 3.53Å; Y93-Q97 HydrophobicContact CE2-CG 3.89Å; Y93-Q97 HydrophobicContact CG-CG 4.32Å; Y93-Q97 VanDerWaalsContact CZ-CG 3.49Å; Y93-Q97 VanDerWaalsContact CZ-NE2 3.28Å; Y93-Q97 WeakPolarHBondContact O-CG 3.42Å; Y93-Q97 PolarHBondContact O-N 3.49Å; Y93-Q97 PolarHBondContact OH-NE2 3.33Å; Y93-Q97 VanDerWaalsContact OH-NE2 3.14Å; F94-Q97 PolarHBondContact O-N 3.33Å; P95-Q97 VanDerWaalsContact C-N 3.33Å; P95-Q97 PolarHBondContact O-N 2.98Å; Q97-L99 VanDerWaalsContact C-N 3.32Å; Q97-L99 PolarHBondContact O-N 2.94Å; Q97-N100 PolarHBondContact O-N 3.05Å; Q97-F101 WeakPolarHBondContact O-CB 3.45Å; Q97-F101 PolarHBondContact O-N 3.33Å
98A90Very high90.7Very high43 Ų4362.5 Ų62.536%0.35531%0.309SS..Hα-helixtrans-59.6-4317500000111.7F94 P95 F101 A102F94-A98 PolarHBondContact O-N 2.96Å; P95-A98 PolarHBondContact O-N 3.38Å; A98-F101 PolarHBondContact O-N 2.96Å; A98-A102 VanDerWaalsContact O-CB 3.29Å; A98-A102 WeakPolarHBondContact O-CB 3.39Å; A98-A102 PolarHBondContact O-N 2.95Å
99L91.7Very high90.3Very high21 Ų2169.2 Ų69.211%0.1134%0.34CS..Hα-helixtrans-69.3-41.5177.2-67.4165000112.1P95 Q97 F101 A102 F103 V142 V143P95-L99 WeakPolarHBondContact O-CB 3.32Å; P95-L99 WeakPolarHBondContact O-CD1 3.33Å; P95-L99 WeakPolarHBondContact O-CG 3.49Å; P95-L99 PolarHBondContact O-N 3.43Å; Q97-L99 VanDerWaalsContact C-N 3.32Å; Q97-L99 PolarHBondContact O-N 2.94Å; L99-F101 VanDerWaalsContact C-N 3.3Å; L99-F101 PolarHBondContact O-N 3.27Å; L99-A102 PolarHBondContact O-N 3.5Å; L99-F103 HydrophobicContact CB-CD2 4.42Å; L99-F103 HydrophobicContact CD2-CD2 4.06Å; L99-F103 HydrophobicContact CD2-CE2 3.66Å; L99-F103 WeakPolarHBondContact O-CB 3.42Å; L99-F103 WeakPolarHBondContact O-CD2 3.42Å; L99-F103 PolarHBondContact O-N 3.39Å; L99-V142 HydrophobicContact CD1-CB 3.64Å; L99-V142 HydrophobicContact CD1-CG1 3.94Å; L99-V142 HydrophobicContact CD1-CG2 4.09Å; L99-V142 HydrophobicContact CD2-CG2 4.13Å; L99-V143 HydrophobicContact CD1-CG1 3.72Å
100N88.6Confident90Very high76 Ų7675.2 Ų75.241%0.40637%0.372SS..Hα-helixtrans-57.6-47.3173.2-177.741000110.3T96 Q97 K104T96-N100 WeakPolarHBondContact O-CB 3.43Å; T96-N100 PolarHBondContact O-N 3.15Å; Q97-N100 PolarHBondContact O-N 3.05Å; N100-K104 WeakPolarHBondContact O-CB 3.23Å; N100-K104 PolarHBondContact O-N 2.73Å
101F86.9Confident89.7Confident116 Ų11677.4 Ų77.451%0.50938%0.379SS..Hα-helixtrans-60.8-47.2175.6-178.6-97.9000112.4F15 F20 Q97 A98 L99 F103F15-F101 HydrophobicContact CD2-CE1 4.16Å; F15-F101 AromaticContact CD2-CZ 3.96Å; F15-F101 HydrophobicContact CD2-CZ 3.96Å; F15-F101 AromaticContact CE2-CE1 3.64Å; F15-F101 HydrophobicContact CE2-CE1 3.64Å; F15-F101 AromaticContact CE2-CZ 3.69Å; F15-F101 HydrophobicContact CE2-CZ 3.69Å; F20-F101 HydrophobicContact CD2-CD1 4.46Å; F20-F101 HydrophobicContact CD2-CD2 4.13Å; F20-F101 HydrophobicContact CD2-CE1 4.32Å; F20-F101 AromaticContact CD2-CE2 3.98Å; F20-F101 HydrophobicContact CD2-CE2 3.98Å; F20-F101 HydrophobicContact CD2-CG 4.38Å; F20-F101 HydrophobicContact CD2-CZ 4.08Å; F20-F101 HydrophobicContact CE2-CB 4.12Å; F20-F101 AromaticContact CE2-CD1 3.77Å; F20-F101 HydrophobicContact CE2-CD1 3.77Å; F20-F101 AromaticContact CE2-CD2 3.68Å; F20-F101 HydrophobicContact CE2-CD2 3.68Å; F20-F101 HydrophobicContact CE2-CE1 4.07Å; F20-F101 AromaticContact CE2-CE2 3.98Å; F20-F101 HydrophobicContact CE2-CE2 3.98Å; F20-F101 AromaticContact CE2-CG 3.57Å; F20-F101 HydrophobicContact CE2-CG 3.57Å; F20-F101 HydrophobicContact CE2-CZ 4.17Å; F20-F101 HydrophobicContact CZ-CB 4.5Å; F20-F101 HydrophobicContact CZ-CD1 4.12Å; F20-F101 HydrophobicContact CZ-CG 4.19Å; Q97-F101 WeakPolarHBondContact O-CB 3.45Å; Q97-F101 PolarHBondContact O-N 3.33Å; A98-F101 PolarHBondContact O-N 2.96Å; L99-F101 VanDerWaalsContact C-N 3.3Å; L99-F101 PolarHBondContact O-N 3.27Å; F101-F103 PolarHBondContact O-N 2.77Å
102A88.5Confident89.2Confident52 Ų5275.8 Ų75.843%0.4337%0.371SS..Hα-helixtrans-65.9-33.6-176.700000114A98 L99A98-A102 VanDerWaalsContact O-CB 3.29Å; A98-A102 WeakPolarHBondContact O-CB 3.39Å; A98-A102 PolarHBondContact O-N 2.95Å; L99-A102 PolarHBondContact O-N 3.5Å
103F89Confident88.8Confident69 Ų6977.9 Ų77.930%0.30339%0.392SS..Hα-helixtrans-118-11.1-168.3-64.8-75.3000115.7L99 F101 D105 K106 Y107 T138L99-F103 HydrophobicContact CB-CD2 4.42Å; L99-F103 HydrophobicContact CD2-CD2 4.06Å; L99-F103 HydrophobicContact CD2-CE2 3.66Å; L99-F103 WeakPolarHBondContact O-CB 3.42Å; L99-F103 WeakPolarHBondContact O-CD2 3.42Å; L99-F103 PolarHBondContact O-N 3.39Å; F101-F103 PolarHBondContact O-N 2.77Å; F103-D105 VanDerWaalsContact C-N 3.34Å; F103-D105 PolarHBondContact O-N 3.09Å; F103-K106 HydrophobicContact CD1-CD 4.01Å; F103-K106 HydrophobicContact CE1-CD 4.48Å; F103-K106 PolarHBondContact O-N 3Å; F103-Y107 HydrophobicContact CB-CD2 3.74Å; F103-Y107 HydrophobicContact CB-CE2 3.52Å; F103-Y107 HydrophobicContact CD1-CE2 4.35Å; F103-Y107 HydrophobicContact CG-CE2 4.11Å; F103-Y107 VanDerWaalsContact O-CD2 3.29Å; F103-Y107 WeakPolarHBondContact O-CD2 3.39Å; F103-Y107 PolarHBondContact O-N 3.01Å; F103-T138 HydrophobicContact CE2-CG2 4.44Å
104K82.3Confident88.6Confident132 Ų13278.6 Ų78.657%0.57442%0.415SS*.Hα-helixtrans-53-48.3-176.5172.7-180-179.5-1720112.8N100 K108N100-K104 WeakPolarHBondContact O-CB 3.23Å; N100-K104 PolarHBondContact O-N 2.73Å; K104-K108 WeakPolarHBondContact O-CB 3.35Å; K104-K108 PolarHBondContact O-N 3.35Å; K104-K108 VanDerWaalsContact O-N 3.14Å
105D85.4Confident88.3Confident114 Ų11476.2 Ų76.261%0.6141%0.407SS*.Hα-helixtrans-73.9-35-178.3-67.1-30.2000112.2F103 K108 Q109F103-D105 VanDerWaalsContact C-N 3.34Å; F103-D105 PolarHBondContact O-N 3.09Å; D105-K108 PolarHBondContact O-N 3.24Å; D105-Q109 VanDerWaalsContact O-CB 3.32Å; D105-Q109 WeakPolarHBondContact O-CB 3.37Å; D105-Q109 PolarHBondContact O-N 3.49Å
106K90.3Very high88Confident132 Ų13277.7 Ų77.757%0.57441%0.413SS*.Hα-helixtrans-60.3-48.3175.8-70.9-179.5-179.5-76.70111.6F103 Q109 L110F103-K106 HydrophobicContact CD1-CD 4.01Å; F103-K106 HydrophobicContact CE1-CD 4.48Å; F103-K106 PolarHBondContact O-N 3Å; K106-Q109 PolarHBondContact O-N 2.79Å; K106-L110 VanDerWaalsContact O-CB 3.27Å; K106-L110 WeakPolarHBondContact O-CB 3.39Å; K106-L110 PolarHBondContact O-N 3.25Å
107Y88.2Confident87.7Confident33 Ų3379.7 Ų79.713%0.12942%0.418CS..Hα-helixtrans-70.8-32.7178.9-73.1-59.4000113.3F103 F111 S131 A134 A135 T138F103-Y107 HydrophobicContact CB-CD2 3.74Å; F103-Y107 HydrophobicContact CB-CE2 3.52Å; F103-Y107 HydrophobicContact CD1-CE2 4.35Å; F103-Y107 HydrophobicContact CG-CE2 4.11Å; F103-Y107 VanDerWaalsContact O-CD2 3.29Å; F103-Y107 WeakPolarHBondContact O-CD2 3.39Å; F103-Y107 PolarHBondContact O-N 3.01Å; Y107-F111 HydrophobicContact CD1-CD2 4.27Å; Y107-F111 AromaticContact CD1-CE2 3.89Å; Y107-F111 HydrophobicContact CD1-CE2 3.89Å; Y107-F111 HydrophobicContact CE1-CE2 4.48Å; Y107-F111 WeakPolarHBondContact O-CD2 3.43Å; Y107-F111 PolarHBondContact O-N 3.04Å; Y107-S131 PolarHBondContact O-OG 3.38Å; Y107-A134 HydrophobicContact CD1-CB 3.92Å; Y107-A134 HydrophobicContact CE1-CB 3.69Å; Y107-A135 HydrophobicContact CD2-CB 3.53Å; Y107-A135 HydrophobicContact CE2-CB 3.96Å; Y107-A135 HydrophobicContact CG-CB 4.02Å; Y107-T138 WeakPolarHBondContact OH-CB 3.23Å; Y107-T138 WeakPolarHBondContact OH-CG2 3.28Å; Y107-T138 PolarHBondContact OH-OG1 2.89Å
108K83.9Confident87.4Confident133 Ų13384.9 Ų84.958%0.57844%0.443SS*.Hα-helixtrans-64.5-47.1172.3-173.1179.3177.4-174.10110.1K104 D105 M112K104-K108 WeakPolarHBondContact O-CB 3.35Å; K104-K108 PolarHBondContact O-N 3.35Å; K104-K108 VanDerWaalsContact O-N 3.14Å; D105-K108 PolarHBondContact O-N 3.24Å; K108-M112 HydrophobicContact CG-CB 4.3Å; K108-M112 HydrophobicContact CG-CG 4.39Å; K108-M112 VanDerWaalsContact O-CA 3.31Å; K108-M112 WeakPolarHBondContact O-CA 3.33Å; K108-M112 WeakPolarHBondContact O-CB 3.08Å; K108-M112 PolarHBondContact O-N 3.47Å
109Q88.2Confident87.3Confident142 Ų14291.2 Ų91.266%0.66446%0.462SS*.Hα-helixtrans-64-47.2178.8-172.5178.111.400112D105 K106 F111 S113D105-Q109 VanDerWaalsContact O-CB 3.32Å; D105-Q109 WeakPolarHBondContact O-CB 3.37Å; D105-Q109 PolarHBondContact O-N 3.49Å; K106-Q109 PolarHBondContact O-N 2.79Å; Q109-F111 VanDerWaalsContact C-N 3.35Å; Q109-F111 PolarHBondContact O-N 3.42Å; Q109-S113 WeakPolarHBondContact O-CB 3.41Å; Q109-S113 PolarHBondContact O-N 2.94Å
110L90.1Very high87.1Confident128 Ų12893.8 Ų93.867%0.6747%0.474SS*.Hα-helixtrans-61.2-41.1-175.1-175.863.3000112.9K106K106-L110 VanDerWaalsContact O-CB 3.27Å; K106-L110 WeakPolarHBondContact O-CB 3.39Å; K106-L110 PolarHBondContact O-N 3.25Å
111F88.5Confident87Confident68 Ų6894.3 Ų94.330%0.29847%0.473SS..Hα-helixtrans-104.6-31.3-173.3-68.4-74000113.8Y107 Q109 A127 A130 A134Y107-F111 HydrophobicContact CD1-CD2 4.27Å; Y107-F111 AromaticContact CD1-CE2 3.89Å; Y107-F111 HydrophobicContact CD1-CE2 3.89Å; Y107-F111 HydrophobicContact CE1-CE2 4.48Å; Y107-F111 WeakPolarHBondContact O-CD2 3.43Å; Y107-F111 PolarHBondContact O-N 3.04Å; Q109-F111 VanDerWaalsContact C-N 3.35Å; Q109-F111 PolarHBondContact O-N 3.42Å; F111-A127 VanDerWaalsContact O-CB 3.29Å; F111-A127 WeakPolarHBondContact O-CB 3.1Å; F111-A130 HydrophobicContact CD1-CB 3.66Å; F111-A130 HydrophobicContact CE1-CB 3.77Å; F111-A130 HydrophobicContact CG-CB 4.26Å; F111-A130 HydrophobicContact CZ-CB 4.43Å; F111-A134 HydrophobicContact CE2-CB 3.76Å; F111-A134 HydrophobicContact CZ-CB 4.11Å
112M86.1Confident87Confident33 Ų3397.6 Ų97.616%0.16348%0.482CS..Hα-helixtrans-101-4.1-173-53.7-64-59.600113.8K108 G114 V115 W124 A127 N128K108-M112 HydrophobicContact CG-CB 4.3Å; K108-M112 HydrophobicContact CG-CG 4.39Å; K108-M112 VanDerWaalsContact O-CA 3.31Å; K108-M112 WeakPolarHBondContact O-CA 3.33Å; K108-M112 WeakPolarHBondContact O-CB 3.08Å; K108-M112 PolarHBondContact O-N 3.47Å; M112-G114 PolarHBondContact O-N 3.47Å; M112-V115 PolarHBondContact O-N 3.31Å; M112-W124 HydrophobicContact CE-CG 4.27Å; M112-A127 HydrophobicContact CE-CB 4.48Å; M112-A127 VanDerWaalsContact SD-C 3.53Å; M112-A127 HydrophobicContact SD-CB 3.51Å; M112-A127 VanDerWaalsContact SD-CB 3.51Å; M112-N128 WeakPolarHBondContact CE-ND2 3.15Å; M112-N128 HydrophobicContact SD-CB 4.39Å; M112-N128 PolarHBondContact SD-N 2.87Å
113S87.8Confident87.1Confident86 Ų86101.8 Ų101.860%0.60149%0.486SS*.THydrogen-bonded Turntrans-62.4128178.6-173.60000111.2Q109 V115Q109-S113 WeakPolarHBondContact O-CB 3.41Å; Q109-S113 PolarHBondContact O-N 2.94Å; S113-V115 PolarHBondContact O-N 2.92Å
114G87.6Confident87.1Confident68 Ų68100 Ų10070%0.70148%0.478SS*.THydrogen-bonded Turntrans735.6179.800000115.5M112M112-G114 PolarHBondContact O-N 3.47Å
115V85.9Confident87.4Confident23 Ų2395.1 Ų95.114%0.13946%0.457CS..  trans-94.1118.9-178.3-172.30000111M112 S113 R123 W124 A127M112-V115 PolarHBondContact O-N 3.31Å; S113-V115 PolarHBondContact O-N 2.92Å; V115-R123 HydrophobicContact CG1-CB 4.34Å; V115-R123 HydrophobicContact CG1-CG 4.07Å; V115-R123 HydrophobicContact CG2-CG 4.36Å; V115-W124 HydrophobicContact CG1-CB 3.69Å; V115-A127 HydrophobicContact CG2-CB 4.36Å
116N86.9Confident87.7Confident68 Ų6894.9 Ų94.936%0.36446%0.455SS..  trans-104.5120.6178.9-176-47.9000110.9E118 K119 Q120N116-E118 VanDerWaalsContact C-N 3.35Å; N116-E118 PolarHBondContact O-N 3.06Å; N116-E118 WeakPolarHBondContact OD1-CB 3.48Å; N116-E118 PolarHBondContact OD1-N 3.31Å; N116-K119 HydrophobicContact CB-CB 4.41Å; N116-K119 PolarHBondContact OD1-N 2.77Å; N116-Q120 CarbonylContact O-C 3.57Å; N116-Q120 WeakPolarHBondContact O-CA 2.78Å; N116-Q120 WeakPolarHBondContact O-CB 3.47Å; N116-Q120 PolarHBondContact O-N 3.2Å
117K84.6Confident87.7Confident77 Ų7789.1 Ų89.134%0.33543%0.432SS..THydrogen-bonded Turntrans-58.9-40.6-179.4-176.4176.4-174.5172.70113.5F121 W124 D208K117-F121 HydrophobicContact CG-CD2 4.49Å; K117-F121 WeakPolarHBondContact O-CA 3.2Å; K117-F121 PolarHBondContact O-N 2.62Å; K117-W124 HydrophobicContact CB-CB 4.37Å; K117-W124 HydrophobicContact CB-CD2 3.94Å; K117-W124 HydrophobicContact CB-CG 3.76Å; K117-W124 HydrophobicContact CD-CD2 3.96Å; K117-W124 HydrophobicContact CD-CE3 4.13Å; K117-W124 HydrophobicContact CD-CH2 3.94Å; K117-W124 HydrophobicContact CD-CZ2 3.73Å; K117-W124 HydrophobicContact CD-CZ3 4.11Å; K117-W124 HydrophobicContact CG-CD2 3.66Å; K117-W124 HydrophobicContact CG-CE3 3.88Å; K117-W124 HydrophobicContact CG-CG 4Å; K117-W124 HydrophobicContact CG-CZ2 4.38Å; K117-W124 HydrophobicContact CG-CZ3 4.35Å; K117-D208 WeakPolarHBondContact CE-OD2 3.38Å; K117-D208 IonicContact NZ-OD1 2.9Å; K117-D208 PolarHBondContact NZ-OD1 3.11Å; K117-D208 IonicContact NZ-OD2 2.72Å; K117-D208 PolarHBondContact NZ-OD2 2.91Å
118E84.3Confident87.8Confident168 Ų16888.9 Ų88.979%0.78543%0.433SS*.THydrogen-bonded Turntrans-73.9-38.7-174.3-61.6-179.4165.800111.6N116N116-E118 VanDerWaalsContact C-N 3.35Å; N116-E118 PolarHBondContact O-N 3.06Å; N116-E118 WeakPolarHBondContact OD1-CB 3.48Å; N116-E118 PolarHBondContact OD1-N 3.31Å
119K88.3Confident88.1Confident177 Ų17783.6 Ų83.677%0.7741%0.41SS*.THydrogen-bonded Turntrans-88.4-27.6-179.5-62.8-172.5178.7-174.20113.8N116N116-K119 HydrophobicContact CB-CB 4.41Å; N116-K119 PolarHBondContact OD1-N 2.77Å
120Q87.5Confident88.3Confident75 Ų7578.8 Ų78.835%0.3540%0.395SS..  trans-13953.3-167.9-59.4178.5-3700111.2N116 W122 R123 W124N116-Q120 CarbonylContact O-C 3.57Å; N116-Q120 WeakPolarHBondContact O-CA 2.78Å; N116-Q120 WeakPolarHBondContact O-CB 3.47Å; N116-Q120 PolarHBondContact O-N 3.2Å; Q120-W122 PolarHBondContact O-N 2.98Å; Q120-R123 HydrophobicContact CB-CB 3.99Å; Q120-R123 PolarHBondContact O-N 2.61Å; Q120-R123 VanDerWaalsContact O-N 3.09Å; Q120-W124 PolarHBondContact O-N 3.37Å
121F86.2Confident88.3Confident86 Ų8673.5 Ų73.538%0.37737%0.369SS..Hα-helixtrans-49.4-50.4-174.2177-97000113.7K117 R123 W124 F125K117-F121 HydrophobicContact CG-CD2 4.49Å; K117-F121 WeakPolarHBondContact O-CA 3.2Å; K117-F121 PolarHBondContact O-N 2.62Å; F121-R123 PolarHBondContact O-N 3.41Å; F121-W124 HydrophobicContact CD2-CE3 4.17Å; F121-W124 HydrophobicContact CD2-CZ3 4.46Å; F121-W124 HydrophobicContact CE2-CE3 4.11Å; F121-W124 AromaticContact CE2-CZ3 3.97Å; F121-W124 HydrophobicContact CE2-CZ3 3.97Å; F121-W124 WeakPolarHBondContact O-CB 3.32Å; F121-W124 PolarHBondContact O-N 2.91Å; F121-F125 WeakPolarHBondContact O-CB 3.19Å; F121-F125 PolarHBondContact O-N 3.37Å
122W87.6Confident88.4Confident186 Ų18670.4 Ų70.471%0.70536%0.356SS*.Hα-helixtrans-64.7-38.3-179.3-76.4114.6000113.2Q120 F125 L126Q120-W122 PolarHBondContact O-N 2.98Å; W122-F125 HydrophobicContact CE3-CD1 4.09Å; W122-F125 HydrophobicContact CZ3-CD1 4.03Å; W122-F125 HydrophobicContact CZ3-CE1 4.31Å; W122-F125 PolarHBondContact O-N 2.9Å; W122-L126 WeakPolarHBondContact O-CB 3.45Å; W122-L126 VanDerWaalsContact O-CG 3.29Å; W122-L126 WeakPolarHBondContact O-CG 3.45Å; W122-L126 PolarHBondContact O-N 2.92Å
123R89.9Confident88.6Confident139 Ų13969 Ų6953%0.52535%0.35SS..Hα-helixtrans-65.4-43.3173.9-172.2-179.9176.2-179.7-0.1111V115 Q120 F121 A127V115-R123 HydrophobicContact CG1-CB 4.34Å; V115-R123 HydrophobicContact CG1-CG 4.07Å; V115-R123 HydrophobicContact CG2-CG 4.36Å; Q120-R123 HydrophobicContact CB-CB 3.99Å; Q120-R123 PolarHBondContact O-N 2.61Å; Q120-R123 VanDerWaalsContact O-N 3.09Å; F121-R123 PolarHBondContact O-N 3.41Å; R123-A127 WeakPolarHBondContact O-CB 3.39Å; R123-A127 PolarHBondContact O-N 3.1Å
124W89.5Confident88.9Confident33 Ų3366.1 Ų66.113%0.12533%0.331CS..Hα-helixtrans-59.6-46.4174.2173.586.2000111.7M112 V115 K117 Q120 F121 A127 N128 F204 D208M112-W124 HydrophobicContact CE-CG 4.27Å; V115-W124 HydrophobicContact CG1-CB 3.69Å; K117-W124 HydrophobicContact CB-CB 4.37Å; K117-W124 HydrophobicContact CB-CD2 3.94Å; K117-W124 HydrophobicContact CB-CG 3.76Å; K117-W124 HydrophobicContact CD-CD2 3.96Å; K117-W124 HydrophobicContact CD-CE3 4.13Å; K117-W124 HydrophobicContact CD-CH2 3.94Å; K117-W124 HydrophobicContact CD-CZ2 3.73Å; K117-W124 HydrophobicContact CD-CZ3 4.11Å; K117-W124 HydrophobicContact CG-CD2 3.66Å; K117-W124 HydrophobicContact CG-CE3 3.88Å; K117-W124 HydrophobicContact CG-CG 4Å; K117-W124 HydrophobicContact CG-CZ2 4.38Å; K117-W124 HydrophobicContact CG-CZ3 4.35Å; Q120-W124 PolarHBondContact O-N 3.37Å; F121-W124 HydrophobicContact CD2-CE3 4.17Å; F121-W124 HydrophobicContact CD2-CZ3 4.46Å; F121-W124 HydrophobicContact CE2-CE3 4.11Å; F121-W124 AromaticContact CE2-CZ3 3.97Å; F121-W124 HydrophobicContact CE2-CZ3 3.97Å; F121-W124 WeakPolarHBondContact O-CB 3.32Å; F121-W124 PolarHBondContact O-N 2.91Å; W124-A127 PolarHBondContact O-N 3.31Å; W124-N128 WeakPolarHBondContact CZ2-ND2 3.33Å; W124-N128 PolarHBondContact NE1-ND2 3.31Å; W124-N128 VanDerWaalsContact NE1-ND2 3.16Å; W124-N128 PolarHBondContact O-N 2.93Å; W124-N128 PolarHBondContact O-ND2 3.48Å; W124-F204 HydrophobicContact CH2-CD1 4.39Å; W124-D208 WeakPolarHBondContact CH2-OD2 3.46Å
125F88.8Confident89.1Confident29 Ų2964 Ų6413%0.12731%0.308CS..Hα-helixtrans-62-53.6179.2-179.9-106.2000111F121 W122 A127 N128 L129 A201 F204F121-F125 WeakPolarHBondContact O-CB 3.19Å; F121-F125 PolarHBondContact O-N 3.37Å; W122-F125 HydrophobicContact CE3-CD1 4.09Å; W122-F125 HydrophobicContact CZ3-CD1 4.03Å; W122-F125 HydrophobicContact CZ3-CE1 4.31Å; W122-F125 PolarHBondContact O-N 2.9Å; F125-A127 VanDerWaalsContact C-N 3.34Å; F125-A127 PolarHBondContact O-N 2.9Å; F125-N128 WeakPolarHBondContact O-CB 3.45Å; F125-N128 PolarHBondContact O-N 3.3Å; F125-N128 VanDerWaalsContact O-N 3.14Å; F125-L129 HydrophobicContact CD1-CD1 4.11Å; F125-L129 HydrophobicContact CE1-CD1 3.55Å; F125-L129 HydrophobicContact CE1-CG 4.27Å; F125-L129 HydrophobicContact CE2-CD2 4.49Å; F125-L129 HydrophobicContact CZ-CD1 3.82Å; F125-L129 HydrophobicContact CZ-CD2 4.38Å; F125-L129 HydrophobicContact CZ-CG 4.31Å; F125-L129 WeakPolarHBondContact O-CG 3.39Å; F125-L129 PolarHBondContact O-N 3.44Å; F125-A201 HydrophobicContact CZ-CB 3.98Å; F125-F204 HydrophobicContact CE2-CB 4.23Å
126L91.1Very high89.4Confident108 Ų10863.5 Ų63.557%0.56531%0.307SS*.Hα-helixtrans-61.3-39.8178.4-68.5175.6000112.6W122 N128 L129 A130W122-L126 WeakPolarHBondContact O-CB 3.45Å; W122-L126 VanDerWaalsContact O-CG 3.29Å; W122-L126 WeakPolarHBondContact O-CG 3.45Å; W122-L126 PolarHBondContact O-N 2.92Å; L126-N128 VanDerWaalsContact C-N 3.35Å; L126-N128 PolarHBondContact O-N 3.34Å; L126-L129 PolarHBondContact O-N 3.46Å; L126-A130 WeakPolarHBondContact O-CB 3.47Å; L126-A130 PolarHBondContact O-N 3.4Å
127A91Very high89.8Confident11 Ų1161.3 Ų61.39%0.09130%0.298CS..Hα-helixtrans-62.2-40.317500000112.2F111 M112 V115 R123 W124 F125 A130 S131F111-A127 VanDerWaalsContact O-CB 3.29Å; F111-A127 WeakPolarHBondContact O-CB 3.1Å; M112-A127 HydrophobicContact CE-CB 4.48Å; M112-A127 VanDerWaalsContact SD-C 3.53Å; M112-A127 HydrophobicContact SD-CB 3.51Å; M112-A127 VanDerWaalsContact SD-CB 3.51Å; V115-A127 HydrophobicContact CG2-CB 4.36Å; R123-A127 WeakPolarHBondContact O-CB 3.39Å; R123-A127 PolarHBondContact O-N 3.1Å; W124-A127 PolarHBondContact O-N 3.31Å; F125-A127 VanDerWaalsContact C-N 3.34Å; F125-A127 PolarHBondContact O-N 2.9Å; A127-A130 PolarHBondContact O-N 2.8Å; A127-S131 WeakPolarHBondContact O-CB 3.24Å; A127-S131 PolarHBondContact O-N 3.04Å
128N89.4Confident90.2Very high29 Ų2959.7 Ų59.716%0.15530%0.295CS..Hα-helixtrans-65.2-40174-83.2-76.9000112M112 W124 F125 L126 G132 F204M112-N128 WeakPolarHBondContact CE-ND2 3.15Å; M112-N128 HydrophobicContact SD-CB 4.39Å; M112-N128 PolarHBondContact SD-N 2.87Å; W124-N128 WeakPolarHBondContact CZ2-ND2 3.33Å; W124-N128 PolarHBondContact NE1-ND2 3.31Å; W124-N128 VanDerWaalsContact NE1-ND2 3.16Å; W124-N128 PolarHBondContact O-N 2.93Å; W124-N128 PolarHBondContact O-ND2 3.48Å; F125-N128 WeakPolarHBondContact O-CB 3.45Å; F125-N128 PolarHBondContact O-N 3.3Å; F125-N128 VanDerWaalsContact O-N 3.14Å; L126-N128 VanDerWaalsContact C-N 3.35Å; L126-N128 PolarHBondContact O-N 3.34Å; N128-G132 PolarHBondContact O-N 2.88Å; N128-F204 HydrophobicContact CB-CE2 4.23Å
129L91.4Very high90.7Very high21 Ų2152.9 Ų52.911%0.1127%0.266CS..Hα-helixtrans-64.6-46176.1-62.9-170.9000111.5F125 L126 G132 G133 R200 A201F125-L129 HydrophobicContact CD1-CD1 4.11Å; F125-L129 HydrophobicContact CE1-CD1 3.55Å; F125-L129 HydrophobicContact CE1-CG 4.27Å; F125-L129 HydrophobicContact CE2-CD2 4.49Å; F125-L129 HydrophobicContact CZ-CD1 3.82Å; F125-L129 HydrophobicContact CZ-CD2 4.38Å; F125-L129 HydrophobicContact CZ-CG 4.31Å; F125-L129 WeakPolarHBondContact O-CG 3.39Å; F125-L129 PolarHBondContact O-N 3.44Å; L126-L129 PolarHBondContact O-N 3.46Å; L129-G132 PolarHBondContact O-N 3.18Å; L129-G133 WeakPolarHBondContact O-CA 3.43Å; L129-G133 PolarHBondContact O-N 3.02Å; L129-R200 HydrophobicContact CD2-CB 4.02Å; L129-A201 HydrophobicContact CD1-CB 3.94Å; L129-A201 HydrophobicContact CD2-CB 3.8Å
130A91.5Very high91.1Very high41 Ų4145 Ų4534%0.33923%0.232SC..Hα-helixtrans-62.3-47.117700000111.4F111 L126 A127 G133 A134F111-A130 HydrophobicContact CD1-CB 3.66Å; F111-A130 HydrophobicContact CE1-CB 3.77Å; F111-A130 HydrophobicContact CG-CB 4.26Å; F111-A130 HydrophobicContact CZ-CB 4.43Å; L126-A130 WeakPolarHBondContact O-CB 3.47Å; L126-A130 PolarHBondContact O-N 3.4Å; A127-A130 PolarHBondContact O-N 2.8Å; A130-G133 PolarHBondContact O-N 3.26Å; A130-A134 WeakPolarHBondContact O-CB 3.21Å; A130-A134 PolarHBondContact O-N 3.03Å
131S91.1Very high91.5Very high17 Ų1744.4 Ų44.412%0.11924%0.235CC..Hα-helixtrans-59-50.2176.5-169.30000111.8Y107 A127 A135Y107-S131 PolarHBondContact O-OG 3.38Å; A127-S131 WeakPolarHBondContact O-CB 3.24Å; A127-S131 PolarHBondContact O-N 3.04Å; S131-A135 VanDerWaalsContact O-CB 3.23Å; S131-A135 WeakPolarHBondContact O-CB 3.43Å; S131-A135 PolarHBondContact O-N 3.22Å
132G88.7Confident91.9Very high3 Ų344.4 Ų44.43%0.03124%0.242CC..Hα-helixtrans-69.1-36.5-17900000113.8N128 L129 G136N128-G132 PolarHBondContact O-N 2.88Å; L129-G132 PolarHBondContact O-N 3.18Å; G132-G136 PolarHBondContact O-N 3.37Å
133G92.3Very high92.3Very high4 Ų435.7 Ų35.74%0.04121%0.21CC..Hα-helixtrans-67.7-46.4174.800000112L129 A130 G136 A137L129-G133 WeakPolarHBondContact O-CA 3.43Å; L129-G133 PolarHBondContact O-N 3.02Å; A130-G133 PolarHBondContact O-N 3.26Å; G133-G136 PolarHBondContact O-N 3.28Å; G133-A137 WeakPolarHBondContact O-CB 3.43Å; G133-A137 PolarHBondContact O-N 3.41Å
134A92.8Very high92.7Very high25 Ų2529.1 Ų29.121%0.20719%0.185CC..Hα-helixtrans-64.3-46.6176.500000111.9Y107 F111 A130 G136 A137 T138Y107-A134 HydrophobicContact CD1-CB 3.92Å; Y107-A134 HydrophobicContact CE1-CB 3.69Å; F111-A134 HydrophobicContact CE2-CB 3.76Å; F111-A134 HydrophobicContact CZ-CB 4.11Å; A130-A134 WeakPolarHBondContact O-CB 3.21Å; A130-A134 PolarHBondContact O-N 3.03Å; A134-G136 VanDerWaalsContact C-N 3.28Å; A134-G136 PolarHBondContact O-N 2.91Å; A134-A137 PolarHBondContact O-N 3.24Å; A134-T138 PolarHBondContact O-N 3.05Å; A134-T138 PolarHBondContact O-OG1 2.88Å
135A91.8Very high93.1Very high25 Ų2528.6 Ų28.621%0.20719%0.186CC..Hα-helixtrans-59.7-40.617500000112.2Y107 S131 S139Y107-A135 HydrophobicContact CD2-CB 3.53Å; Y107-A135 HydrophobicContact CE2-CB 3.96Å; Y107-A135 HydrophobicContact CG-CB 4.02Å; S131-A135 VanDerWaalsContact O-CB 3.23Å; S131-A135 WeakPolarHBondContact O-CB 3.43Å; S131-A135 PolarHBondContact O-N 3.22Å; A135-S139 WeakPolarHBondContact O-CB 3.36Å; A135-S139 PolarHBondContact O-N 2.95Å; A135-S139 PolarHBondContact O-OG 2.93Å
136G92Very high93.6Very high12 Ų1228.6 Ų28.612%0.12419%0.187CC..Hα-helixtrans-62.3-51.1173.600000112.2G132 G133 A134 T138 S139 L140G132-G136 PolarHBondContact O-N 3.37Å; G133-G136 PolarHBondContact O-N 3.28Å; A134-G136 VanDerWaalsContact C-N 3.28Å; A134-G136 PolarHBondContact O-N 2.91Å; G136-T138 PolarHBondContact O-N 3.46Å; G136-S139 PolarHBondContact O-N 3.49Å; G136-L140 WeakPolarHBondContact O-CB 3.5Å; G136-L140 VanDerWaalsContact O-CG 3.25Å; G136-L140 WeakPolarHBondContact O-CG 3.29Å; G136-L140 PolarHBondContact O-N 3Å
137A95.3Very high93.9Very high22 Ų2223.8 Ų23.818%0.18216%0.162CC..Hα-helixtrans-59.4-48.4-179.800000112G133 A134 S139 L140 C141 V193G133-A137 WeakPolarHBondContact O-CB 3.43Å; G133-A137 PolarHBondContact O-N 3.41Å; A134-A137 PolarHBondContact O-N 3.24Å; A137-S139 PolarHBondContact O-N 3.39Å; A137-L140 CarbonylContact O-C 3.58Å; A137-L140 WeakPolarHBondContact O-CB 3.28Å; A137-L140 PolarHBondContact O-N 2.93Å; A137-C141 PolarHBondContact O-N 3.25Å; A137-C141 PolarHBondContact O-SG 2.87Å; A137-V193 HydrophobicContact CB-CG1 4.17Å; A137-V193 HydrophobicContact CB-CG2 3.86Å
138T94Very high94.2Very high43 Ų4323.3 Ų23.326%0.26416%0.158SC..Hα-helixtrans-65.5-39.4178.6-66.10000112.4F103 Y107 A134 G136 L140 C141F103-T138 HydrophobicContact CE2-CG2 4.44Å; Y107-T138 WeakPolarHBondContact OH-CB 3.23Å; Y107-T138 WeakPolarHBondContact OH-CG2 3.28Å; Y107-T138 PolarHBondContact OH-OG1 2.89Å; A134-T138 PolarHBondContact O-N 3.05Å; A134-T138 PolarHBondContact O-OG1 2.88Å; G136-T138 PolarHBondContact O-N 3.46Å; T138-L140 VanDerWaalsContact C-N 3.32Å; T138-L140 PolarHBondContact O-N 3.42Å; T138-C141 WeakPolarHBondContact O-CB 3.47Å; T138-C141 PolarHBondContact O-N 2.9Å
139S94.2Very high94.6Very high24 Ų2421.9 Ų21.917%0.16815%0.15CC..Hα-helixtrans-59.3-47.8172.4-65.70000110.7A135 G136 A137 C141 V142 V143A135-S139 WeakPolarHBondContact O-CB 3.36Å; A135-S139 PolarHBondContact O-N 2.95Å; A135-S139 PolarHBondContact O-OG 2.93Å; G136-S139 PolarHBondContact O-N 3.49Å; A137-S139 PolarHBondContact O-N 3.39Å; S139-C141 VanDerWaalsContact C-N 3.32Å; S139-C141 PolarHBondContact O-N 2.84Å; S139-V142 PolarHBondContact O-N 3.32Å; S139-V142 VanDerWaalsContact O-N 3.16Å; S139-V143 WeakPolarHBondContact O-CG2 3.42Å; S139-V143 PolarHBondContact O-N 3.07Å
140L96Very high94.9Very high11 Ų1121.8 Ų21.86%0.05815%0.148CC..Hα-helixtrans-60.4-38.9178-70.1176.5000111.4G136 A137 T138 V142 V143 Y144 F189 V193 I196G136-L140 WeakPolarHBondContact O-CB 3.5Å; G136-L140 VanDerWaalsContact O-CG 3.25Å; G136-L140 WeakPolarHBondContact O-CG 3.29Å; G136-L140 PolarHBondContact O-N 3Å; A137-L140 CarbonylContact O-C 3.58Å; A137-L140 WeakPolarHBondContact O-CB 3.28Å; A137-L140 PolarHBondContact O-N 2.93Å; T138-L140 VanDerWaalsContact C-N 3.32Å; T138-L140 PolarHBondContact O-N 3.42Å; L140-V142 PolarHBondContact O-N 3.48Å; L140-V143 HydrophobicContact CD2-CG2 4.5Å; L140-V143 PolarHBondContact O-N 2.88Å; L140-Y144 HydrophobicContact CB-CD2 4.05Å; L140-Y144 HydrophobicContact CD1-CD2 4.42Å; L140-Y144 HydrophobicContact CD2-CD2 3.8Å; L140-Y144 HydrophobicContact CD2-CE2 4.34Å; L140-Y144 HydrophobicContact CG-CD2 4.28Å; L140-Y144 WeakPolarHBondContact O-CA 3.25Å; L140-Y144 WeakPolarHBondContact O-CB 3.37Å; L140-Y144 PolarHBondContact O-N 3.17Å; L140-F189 HydrophobicContact CB-CD2 4.05Å; L140-F189 HydrophobicContact CB-CE2 3.46Å; L140-F189 VanDerWaalsContact CB-CE2 3.46Å; L140-F189 HydrophobicContact CB-CZ 4.28Å; L140-V193 HydrophobicContact CD1-CG2 4.17Å; L140-I196 HydrophobicContact CD1-CD1 3.8Å; L140-I196 HydrophobicContact CG-CD1 4.48Å
141C96.2Very high95.3Very high63 Ų6319.8 Ų19.843%0.42613%0.132SC..Hα-helixtrans-50.6-34.3177.4-68.90000112.8A137 T138 S139 Y186A137-C141 PolarHBondContact O-N 3.25Å; A137-C141 PolarHBondContact O-SG 2.87Å; T138-C141 WeakPolarHBondContact O-CB 3.47Å; T138-C141 PolarHBondContact O-N 2.9Å; S139-C141 VanDerWaalsContact C-N 3.32Å; S139-C141 PolarHBondContact O-N 2.84Å; C141-Y186 WeakPolarHBondContact O-CE1 3.42Å; C141-Y186 PolarHBondContact O-OH 3.09Å
142V95.6Very high95.6Very high86 Ų8619.1 Ų19.152%0.52113%0.127SC..Hα-helixtrans-92.8-45.8178.8-178.80000112.3L99 S139 L140L99-V142 HydrophobicContact CD1-CB 3.64Å; L99-V142 HydrophobicContact CD1-CG1 3.94Å; L99-V142 HydrophobicContact CD1-CG2 4.09Å; L99-V142 HydrophobicContact CD2-CG2 4.13Å; S139-V142 PolarHBondContact O-N 3.32Å; S139-V142 VanDerWaalsContact O-N 3.16Å; L140-V142 PolarHBondContact O-N 3.48Å
143V96.7Very high96Very high4 Ų419.3 Ų19.32%0.02413%0.127CC..Hα-helixtrans-93.3-6.5-170-49.90000114.5R92 P95 L99 S139 L140 L146 D147R92-V143 HydrophobicContact CG-CB 4.18Å; R92-V143 HydrophobicContact CG-CG2 4.49Å; P95-V143 HydrophobicContact CB-CG1 3.95Å; P95-V143 HydrophobicContact CG-CG1 4Å; L99-V143 HydrophobicContact CD1-CG1 3.72Å; S139-V143 WeakPolarHBondContact O-CG2 3.42Å; S139-V143 PolarHBondContact O-N 3.07Å; L140-V143 HydrophobicContact CD2-CG2 4.5Å; L140-V143 PolarHBondContact O-N 2.88Å; V143-L146 WeakPolarHBondContact O-CB 3.44Å; V143-L146 PolarHBondContact O-N 2.96Å; V143-L146 VanDerWaalsContact O-N 3.13Å; V143-D147 PolarHBondContact O-N 3.32Å; V143-D147 VanDerWaalsContact O-N 3.16Å
144Y97.9Very high96.3Very high0 Ų019.2 Ų19.20%013%0.126CC..Hα-helixtrans-58-42-176-151.6-92000113.8L140 L146 D147 F148 L185 Y186 Q187 G188 F189 S192 M251L140-Y144 HydrophobicContact CB-CD2 4.05Å; L140-Y144 HydrophobicContact CD1-CD2 4.42Å; L140-Y144 HydrophobicContact CD2-CD2 3.8Å; L140-Y144 HydrophobicContact CD2-CE2 4.34Å; L140-Y144 HydrophobicContact CG-CD2 4.28Å; L140-Y144 WeakPolarHBondContact O-CA 3.25Å; L140-Y144 WeakPolarHBondContact O-CB 3.37Å; L140-Y144 PolarHBondContact O-N 3.17Å; Y144-L146 PolarHBondContact O-N 3.48Å; Y144-D147 CarbonylContact O-C 3.58Å; Y144-D147 WeakPolarHBondContact O-CA 3.4Å; Y144-D147 WeakPolarHBondContact O-CB 3.48Å; Y144-D147 PolarHBondContact O-N 2.89Å; Y144-F148 HydrophobicContact CD1-CB 4.44Å; Y144-F148 WeakPolarHBondContact O-CB 3.37Å; Y144-F148 PolarHBondContact O-N 3.03Å; Y144-L185 WeakPolarHBondContact CD1-O 3.39Å; Y144-Y186 HydrophobicContact CD1-CD1 4.2Å; Y144-Y186 HydrophobicContact CD1-CG 4.45Å; Y144-Y186 HydrophobicContact CG-CD1 4.13Å; Y144-Q187 WeakPolarHBondContact CE1-O 2.88Å; Y144-Q187 PolarHBondContact OH-O 3.45Å; Y144-G188 WeakPolarHBondContact OH-CA 3.4Å; Y144-G188 PolarHBondContact OH-O 3.23Å; Y144-G188 VanDerWaalsContact OH-O 3.05Å; Y144-F189 AromaticContact CD2-CD2 3.79Å; Y144-F189 HydrophobicContact CD2-CD2 3.79Å; Y144-F189 HydrophobicContact CE2-CB 4.25Å; Y144-F189 HydrophobicContact CE2-CD2 4.17Å; Y144-F189 HydrophobicContact CG-CD2 4.19Å; Y144-F189 PolarHBondContact OH-N 3.24Å; Y144-F189 VanDerWaalsContact OH-N 3.16Å; Y144-S192 WeakPolarHBondContact CE2-OG 3.4Å; Y144-S192 PolarHBondContact OH-OG 2.94Å; Y144-S192 VanDerWaalsContact OH-OG 3.04Å; Y144-M251 HydrophobicContact CD1-CE 4.42Å; Y144-M251 HydrophobicContact CE1-CE 3.53Å; Y144-M251 HydrophobicContact CE2-CE 4.24Å; Y144-M251 VanDerWaalsContact CZ-CE 3.42Å; Y144-M251 WeakPolarHBondContact OH-CE 3.4Å
145P98Very high96.5Very high22 Ų2218 Ų1814%0.14312%0.117CC..Hα-helixtrans-57.7-34.7177.3-28.137.6000113.4A149 L185 Y186P145-A149 VanDerWaalsContact O-CB 3.29Å; P145-A149 WeakPolarHBondContact O-CB 3.41Å; P145-A149 PolarHBondContact O-N 2.84Å; P145-L185 HydrophobicContact CB-CB 4.42Å; P145-L185 HydrophobicContact CB-CD1 4.39Å; P145-L185 HydrophobicContact CG-CB 4.44Å; P145-Y186 HydrophobicContact CG-CE2 3.95Å
146L97.8Very high96.8Very high29 Ų2916.9 Ų16.915%0.15211%0.107CC..Hα-helixtrans-71.1-38.6174.6-64.7173.3000111.8I91 R92 P95 V143 Y144 R150 L169I91-L146 HydrophobicContact CG2-CD1 4.17Å; I91-L146 HydrophobicContact CG2-CD2 4.25Å; R92-L146 HydrophobicContact CB-CB 4Å; R92-L146 HydrophobicContact CB-CD1 4.15Å; R92-L146 HydrophobicContact CG-CB 4Å; R92-L146 HydrophobicContact CG-CD1 4.35Å; P95-L146 HydrophobicContact CG-CD1 3.91Å; V143-L146 WeakPolarHBondContact O-CB 3.44Å; V143-L146 PolarHBondContact O-N 2.96Å; V143-L146 VanDerWaalsContact O-N 3.13Å; Y144-L146 PolarHBondContact O-N 3.48Å; L146-R150 WeakPolarHBondContact O-CB 3.25Å; L146-R150 PolarHBondContact O-N 3.46Å; L146-L169 HydrophobicContact CD2-CD1 4.18Å; L146-L169 HydrophobicContact CD2-CD2 4.05Å
147D97.4Very high97Very high8 Ų817.7 Ų17.74%0.04311%0.108CC..Hα-helixtrans-64.8-41.5173.9-101.3-18.4000112.3R92 V143 Y144 T151 R247R92-D147 WeakPolarHBondContact CD-OD1 3.46Å; R92-D147 IonicContact CZ-OD1 3.76Å; R92-D147 IonicContact NE-OD1 3.75Å; R92-D147 PolarHBondContact NE-OD1 3.45Å; R92-D147 IonicContact NH2-OD1 2.72Å; V143-D147 PolarHBondContact O-N 3.32Å; V143-D147 VanDerWaalsContact O-N 3.16Å; Y144-D147 CarbonylContact O-C 3.58Å; Y144-D147 WeakPolarHBondContact O-CA 3.4Å; Y144-D147 WeakPolarHBondContact O-CB 3.48Å; Y144-D147 PolarHBondContact O-N 2.89Å; D147-T151 PolarHBondContact O-N 3.2Å; D147-T151 VanDerWaalsContact O-N 3.1Å; D147-T151 PolarHBondContact O-OG1 3.11Å; D147-R247 VanDerWaalsContact CB-NH2 3.34Å; D147-R247 VanDerWaalsContact CG-NH2 3.27Å; D147-R247 IonicContact OD2-CZ 3.59Å; D147-R247 IonicContact OD2-NH1 2.87Å; D147-R247 IonicContact OD2-NH2 2.75Å; D147-R247 PolarHBondContact OD2-NH2 3.03Å
148F98.5Very high97Very high0 Ų017 Ų170%010%0.103CC..Hα-helixtrans-61.2-55174.3176.1-81.2000110.1Y144 R150 T151 R152 I176 G184 L185 M251Y144-F148 HydrophobicContact CD1-CB 4.44Å; Y144-F148 WeakPolarHBondContact O-CB 3.37Å; Y144-F148 PolarHBondContact O-N 3.03Å; F148-R150 VanDerWaalsContact C-N 3.33Å; F148-R150 PolarHBondContact O-N 3.46Å; F148-T151 WeakPolarHBondContact O-CA 3.34Å; F148-T151 WeakPolarHBondContact O-CB 3.38Å; F148-T151 PolarHBondContact O-N 3.44Å; F148-R152 HydrophobicContact CD1-CG 4.06Å; F148-R152 HydrophobicContact CE1-CB 4.42Å; F148-R152 HydrophobicContact CE1-CG 3.49Å; F148-R152 VanDerWaalsContact CE1-CG 3.49Å; F148-R152 HydrophobicContact CE2-CG 4.26Å; F148-R152 HydrophobicContact CZ-CG 3.6Å; F148-R152 PolarHBondContact O-N 2.94Å; F148-I176 HydrophobicContact CE1-CB 4.3Å; F148-I176 HydrophobicContact CE1-CG1 3.88Å; F148-I176 HydrophobicContact CE1-CG2 4.03Å; F148-I176 HydrophobicContact CZ-CD1 4.37Å; F148-I176 HydrophobicContact CZ-CG1 4.16Å; F148-I176 HydrophobicContact CZ-CG2 3.93Å; F148-G184 WeakPolarHBondContact CE2-O 3.47Å; F148-L185 WeakPolarHBondContact CB-O 3.21Å; F148-L185 HydrophobicContact CD1-CD2 3.88Å; F148-L185 WeakPolarHBondContact CD2-O 3.34Å; F148-L185 HydrophobicContact CE1-CD2 4.08Å; F148-M251 HydrophobicContact CB-CE 4.42Å; F148-M251 HydrophobicContact CD2-CB 3.9Å; F148-M251 HydrophobicContact CD2-CG 3.81Å; F148-M251 HydrophobicContact CE2-CB 3.92Å; F148-M251 HydrophobicContact CE2-CG 4.3Å; F148-M251 WeakPolarHBondContact CE2-O 3.33Å
149A98.2Very high96.9Very high0 Ų021.2 Ų21.20%012%0.118CC..Hα-helixtrans-63.4-39.7-177.300000112P145 T151 R152 L153 L169 C172 I173P145-A149 VanDerWaalsContact O-CB 3.29Å; P145-A149 WeakPolarHBondContact O-CB 3.41Å; P145-A149 PolarHBondContact O-N 2.84Å; A149-T151 VanDerWaalsContact C-N 3.28Å; A149-T151 PolarHBondContact O-N 2.93Å; A149-R152 PolarHBondContact O-N 2.86Å; A149-L153 VanDerWaalsContact O-CB 3.24Å; A149-L153 WeakPolarHBondContact O-CB 3.44Å; A149-L153 WeakPolarHBondContact O-CG 3.23Å; A149-L153 PolarHBondContact O-N 3.21Å; A149-L169 HydrophobicContact CB-CD1 3.34Å; A149-C172 HydrophobicContact CB-CB 4.4Å; A149-I173 HydrophobicContact CB-CD1 4.46Å; A149-I173 HydrophobicContact CB-CG1 4.04Å
150R97.8Very high96.6Very high18 Ų1821.1 Ų21.17%0.06812%0.12CC..Hα-helixtrans-54.9-46.1170.8178-159.5175.3152.77.6111.5E42 A88 N89 L146 F148 G154E42-R150 VanDerWaalsContact CG-NH2 3.3Å; E42-R150 IonicContact OE1-CZ 3.4Å; E42-R150 IonicContact OE1-NE 2.84Å; E42-R150 IonicContact OE1-NH1 3.9Å; E42-R150 IonicContact OE1-NH2 3.59Å; E42-R150 PolarHBondContact OE1-NH2 2.97Å; A88-R150 HydrophobicContact CB-CB 3.89Å; N89-R150 HydrophobicContact CB-CG 4.07Å; N89-R150 PolarHBondContact ND2-NH2 3.25Å; N89-R150 PolarHBondContact OD1-NH1 3.36Å; N89-R150 PolarHBondContact OD1-NH2 2.97Å; L146-R150 WeakPolarHBondContact O-CB 3.25Å; L146-R150 PolarHBondContact O-N 3.46Å; F148-R150 VanDerWaalsContact C-N 3.33Å; F148-R150 PolarHBondContact O-N 3.46Å; R150-G154 VanDerWaalsContact O-CA 3.31Å; R150-G154 WeakPolarHBondContact O-CA 3.45Å; R150-G154 PolarHBondContact O-N 3.23Å
151T98.1Very high96.3Very high0 Ų024.6 Ų24.60%014%0.143CC..Hα-helixtrans-64.2-52.9-179.1-54.90000110.3L46 D147 F148 A149 L153 G154 V155 R248 M251L46-T151 HydrophobicContact CD2-CG2 4.5Å; D147-T151 PolarHBondContact O-N 3.2Å; D147-T151 VanDerWaalsContact O-N 3.1Å; D147-T151 PolarHBondContact O-OG1 3.11Å; F148-T151 WeakPolarHBondContact O-CA 3.34Å; F148-T151 WeakPolarHBondContact O-CB 3.38Å; F148-T151 PolarHBondContact O-N 3.44Å; A149-T151 VanDerWaalsContact C-N 3.28Å; A149-T151 PolarHBondContact O-N 2.93Å; T151-L153 PolarHBondContact O-N 3.13Å; T151-G154 CarbonylContact O-C 3.58Å; T151-G154 WeakPolarHBondContact O-CA 3.41Å; T151-G154 PolarHBondContact O-N 3.5Å; T151-G154 VanDerWaalsContact O-N 3.09Å; T151-V155 VanDerWaalsContact O-CG2 3.3Å; T151-V155 WeakPolarHBondContact O-CG2 3.41Å; T151-V155 PolarHBondContact O-N 3.04Å; T151-V155 VanDerWaalsContact O-N 3.08Å; T151-R248 HydrophobicContact CG2-CB 4.23Å; T151-R248 HydrophobicContact CG2-CG 4.33Å; T151-R248 PolarHBondContact OG1-NH1 2.94Å; T151-M251 HydrophobicContact CG2-SD 3.87Å; T151-M251 PolarHBondContact OG1-SD 3.29Å; T151-M251 VanDerWaalsContact OG1-SD 3.39Å
152R98.3Very high96Very high2 Ų230 Ų301%0.00816%0.162CC..Hα-helixtrans-61.2-47.2-178.1-68.7-66.5-82.1149.4-10.7111.7F148 A149 G154 V155 D156 F166 M252 S254 E256F148-R152 HydrophobicContact CD1-CG 4.06Å; F148-R152 HydrophobicContact CE1-CB 4.42Å; F148-R152 HydrophobicContact CE1-CG 3.49Å; F148-R152 VanDerWaalsContact CE1-CG 3.49Å; F148-R152 HydrophobicContact CE2-CG 4.26Å; F148-R152 HydrophobicContact CZ-CG 3.6Å; F148-R152 PolarHBondContact O-N 2.94Å; A149-R152 PolarHBondContact O-N 2.86Å; R152-G154 VanDerWaalsContact C-N 3.29Å; R152-G154 PolarHBondContact O-N 3.49Å; R152-V155 WeakPolarHBondContact O-CG2 3.25Å; R152-V155 PolarHBondContact O-N 3.42Å; R152-D156 VanDerWaalsContact O-CB 3.24Å; R152-D156 WeakPolarHBondContact O-CB 3.48Å; R152-D156 PolarHBondContact O-N 2.93Å; R152-F166 HydrophobicContact CB-CD2 4.3Å; R152-F166 HydrophobicContact CB-CE2 3.79Å; R152-F166 HydrophobicContact CB-CZ 4.48Å; R152-F166 HydrophobicContact CG-CE2 4.48Å; R152-M252 PolarHBondContact NH1-SD 3.5Å; R152-M252 VanDerWaalsContact NH1-SD 3.38Å; R152-S254 PolarHBondContact NH2-O 3.27Å; R152-E256 IonicContact NH2-OE1 3.2Å; R152-E256 PolarHBondContact NH2-OE1 2.97Å
153L98.1Very high95.9Very high7 Ų731.5 Ų31.54%0.03716%0.164CC..Hα-helixtrans-61.7-40.8173.1-67.6170.8000111.8R43 R84 A149 T151 V155 D156 F166 L169 C172R43-L153 PolarHBondContact NH1-O 3.43Å; R84-L153 WeakPolarHBondContact CD-O 3.42Å; R84-L153 VanDerWaalsContact CG-O 3.31Å; R84-L153 WeakPolarHBondContact CG-O 3.27Å; R84-L153 PolarHBondContact NE-O 2.87Å; A149-L153 VanDerWaalsContact O-CB 3.24Å; A149-L153 WeakPolarHBondContact O-CB 3.44Å; A149-L153 WeakPolarHBondContact O-CG 3.23Å; A149-L153 PolarHBondContact O-N 3.21Å; T151-L153 PolarHBondContact O-N 3.13Å; L153-V155 PolarHBondContact O-N 3.49Å; L153-D156 PolarHBondContact O-N 2.94Å; L153-F166 HydrophobicContact CD2-CB 3.71Å; L153-F166 HydrophobicContact CD2-CG 4.49Å; L153-L169 HydrophobicContact CD1-CB 4.33Å; L153-C172 HydrophobicContact CD2-CB 4.36Å; L153-C172 HydrophobicContact CG-CB 4.39Å
154G97.8Very high95.8Very high2 Ų234 Ų342%0.02117%0.173CC..THydrogen-bonded Turntrans-67-6.1179.100000115.1R43 R84 R150 T151 R152R43-G154 WeakPolarHBondContact CD-O 3.29Å; R43-G154 PolarHBondContact NE-O 3.49Å; R43-G154 PolarHBondContact NH1-O 3.02Å; R84-G154 WeakPolarHBondContact O-CA 3.2Å; R150-G154 VanDerWaalsContact O-CA 3.31Å; R150-G154 WeakPolarHBondContact O-CA 3.45Å; R150-G154 PolarHBondContact O-N 3.23Å; T151-G154 CarbonylContact O-C 3.58Å; T151-G154 WeakPolarHBondContact O-CA 3.41Å; T151-G154 PolarHBondContact O-N 3.5Å; T151-G154 VanDerWaalsContact O-N 3.09Å; R152-G154 VanDerWaalsContact C-N 3.29Å; R152-G154 PolarHBondContact O-N 3.49Å
155V97.8Very high95.7Very high1 Ų136.3 Ų36.31%0.00618%0.184CC..THydrogen-bonded Turntrans-131.3-6.9175.9-56.30000113.1L46 L47 V50 T151 R152 L153 I157 M252L46-V155 HydrophobicContact CB-CG1 3.53Å; L47-V155 HydrophobicContact CD2-CB 4.28Å; V50-V155 HydrophobicContact CG2-CB 3.71Å; V50-V155 HydrophobicContact CG2-CG1 3.49Å; V50-V155 VanDerWaalsContact CG2-CG1 3.49Å; V50-V155 HydrophobicContact CG2-CG2 3.93Å; T151-V155 VanDerWaalsContact O-CG2 3.3Å; T151-V155 WeakPolarHBondContact O-CG2 3.41Å; T151-V155 PolarHBondContact O-N 3.04Å; T151-V155 VanDerWaalsContact O-N 3.08Å; R152-V155 WeakPolarHBondContact O-CG2 3.25Å; R152-V155 PolarHBondContact O-N 3.42Å; L153-V155 PolarHBondContact O-N 3.49Å; V155-I157 PolarHBondContact O-N 3.41Å; V155-M252 HydrophobicContact CG2-CE 3.57Å; V155-M252 HydrophobicContact CG2-SD 3.39Å; V155-M252 WeakPolarHBondContact CG2-SD 3.44Å
156D97.1Very high95.7Very high0 Ų035.7 Ų35.70%018%0.178CC..  trans-67114.9172.1-178.917.2000110R43 Q56 R84 R152 L153 R164 Q165 F166R43-D156 PolarHBondContact NH2-O 2.79Å; Q56-D156 PolarHBondContact NE2-OD1 2.65Å; Q56-D156 PolarHBondContact OE1-OD1 3.01Å; R84-D156 WeakPolarHBondContact CD-O 3.37Å; R84-D156 IonicContact CZ-OD2 3.33Å; R84-D156 PolarHBondContact NE-O 3.41Å; R84-D156 IonicContact NE-OD2 3.9Å; R84-D156 IonicContact NH2-OD2 2.77Å; R84-D156 PolarHBondContact NH2-OD2 3.02Å; R152-D156 VanDerWaalsContact O-CB 3.24Å; R152-D156 WeakPolarHBondContact O-CB 3.48Å; R152-D156 PolarHBondContact O-N 2.93Å; L153-D156 PolarHBondContact O-N 2.94Å; D156-R164 WeakPolarHBondContact OD1-CA 3.4Å; D156-Q165 PolarHBondContact OD1-N 3.47Å; D156-Q165 PolarHBondContact OD2-N 3.33Å; D156-F166 HydrophobicContact CB-CD2 4.42Å; D156-F166 PolarHBondContact OD2-N 3.21Å
157I96.5Very high95.6Very high30 Ų3041.4 Ų41.415%0.15420%0.202CC..  trans-99.2156.6-177.162.8164.6000111.3L47 Q56 I57 Q77 V155L47-I157 HydrophobicContact CD2-CG2 3.84Å; Q56-I157 HydrophobicContact CB-CD1 3.7Å; Q56-I157 HydrophobicContact CB-CG1 3.46Å; Q56-I157 VanDerWaalsContact CB-CG1 3.46Å; Q56-I157 HydrophobicContact CG-CG1 4.2Å; Q56-I157 PolarHBondContact NE2-O 2.89Å; Q56-I157 VanDerWaalsContact OE1-N 3.16Å; I57-I157 HydrophobicContact CD1-CD1 4.47Å; I57-I157 HydrophobicContact CD1-CG2 4.43Å; I57-I157 HydrophobicContact CG1-CD1 3.6Å; I57-I157 HydrophobicContact CG1-CG1 4.49Å; Q77-I157 HydrophobicContact CG-CB 4.43Å; V155-I157 PolarHBondContact O-N 3.41Å
158G94.5Very high95.5Very high7 Ų742.1 Ų42.17%0.07221%0.212CC..  trans139.5151177.600000112.1E163 R164G158-E163 WeakPolarHBondContact CA-OE2 3.35Å; G158-R164 VanDerWaalsContact O-CZ 3.3Å; G158-R164 PolarHBondContact O-NE 2.93Å; G158-R164 PolarHBondContact O-NH2 3Å
159K91.7Very high95.5Very high132 Ų13243.7 Ų43.757%0.57422%0.22SC*.SBendtrans-77.8-43.1178.7-67.3-175.5177.3178.60111.8E76 E163E76-K159 WeakPolarHBondContact O-CE 3.09Å; E76-K159 WeakPolarHBondContact O-CG 3.39Å; K159-E163 PolarHBondContact N-OE2 3.2Å
160G89.3Confident95.5Very high21 Ų2145.7 Ų45.722%0.21624%0.24CC..SBendtrans-119.2177.1-175.300000114.4E162 E163 R164G160-E162 VanDerWaalsContact C-N 3.26Å; G160-E162 PolarHBondContact O-N 2.95Å; G160-E163 PolarHBondContact O-N 3.41Å; G160-R164 WeakPolarHBondContact O-CD 3.07Å; G160-R164 VanDerWaalsContact O-CG 3.29Å; G160-R164 WeakPolarHBondContact O-CG 3.44Å
161P89Confident95.5Very high84 Ų8446.4 Ų46.455%0.54525%0.245SC..THydrogen-bonded Turntrans-59.4-32.5175.7-2434.8000114.2R164P161-R164 PolarHBondContact O-N 3.28Å
162E90.6Very high95.5Very high177 Ų17746.4 Ų46.483%0.82725%0.245SC*.THydrogen-bonded Turntrans-74.8-28.4-177.1-55.4-52142.600113.3G160G160-E162 VanDerWaalsContact C-N 3.26Å; G160-E162 PolarHBondContact O-N 2.95Å
163E93.1Very high95.5Very high117 Ų11748.6 Ų48.655%0.54726%0.256SS..THydrogen-bonded Turntrans-85.4-13.3177.7-66.6173.6-15800112.7Q56 G158 K159 G160Q56-E163 PolarHBondContact NE2-O 2.89Å; G158-E163 WeakPolarHBondContact CA-OE2 3.35Å; K159-E163 PolarHBondContact N-OE2 3.2Å; G160-E163 PolarHBondContact O-N 3.41Å
164R95.4Very high95.5Very high58 Ų5853.3 Ų53.322%0.21928%0.28CS..SBendtrans-98.9143.3-172.9-76174.3177.7179.98.6111.3D156 G158 G160 P161 F166D156-R164 WeakPolarHBondContact OD1-CA 3.4Å; G158-R164 VanDerWaalsContact O-CZ 3.3Å; G158-R164 PolarHBondContact O-NE 2.93Å; G158-R164 PolarHBondContact O-NH2 3Å; G160-R164 WeakPolarHBondContact O-CD 3.07Å; G160-R164 VanDerWaalsContact O-CG 3.29Å; G160-R164 WeakPolarHBondContact O-CG 3.44Å; P161-R164 PolarHBondContact O-N 3.28Å; R164-F166 VanDerWaalsContact C-N 3.29Å; R164-F166 PolarHBondContact O-N 2.86Å
165Q95.7Very high95.5Very high48 Ų4857.2 Ų57.222%0.22430%0.296CS..SBendtrans-65.7-35.2174.6-61.8-168.5-51.700111.7Q56 D156 K175 E256Q56-Q165 HydrophobicContact CG-CG 4.3Å; D156-Q165 PolarHBondContact OD1-N 3.47Å; D156-Q165 PolarHBondContact OD2-N 3.33Å; Q165-K175 PolarHBondContact O-NZ 2.78Å; Q165-E256 PolarHBondContact NE2-OE1 3.47Å
166F96.9Very high95.5Very high8 Ų857.3 Ų57.34%0.03530%0.296CS..  trans-130139.6-172.5-51.9-68.6000112.8R84 R152 L153 D156 R164 D171 C172 K175 I176R84-F166 PolarHBondContact NH2-O 3.35Å; R152-F166 HydrophobicContact CB-CD2 4.3Å; R152-F166 HydrophobicContact CB-CE2 3.79Å; R152-F166 HydrophobicContact CB-CZ 4.48Å; R152-F166 HydrophobicContact CG-CE2 4.48Å; L153-F166 HydrophobicContact CD2-CB 3.71Å; L153-F166 HydrophobicContact CD2-CG 4.49Å; D156-F166 HydrophobicContact CB-CD2 4.42Å; D156-F166 PolarHBondContact OD2-N 3.21Å; R164-F166 VanDerWaalsContact C-N 3.29Å; R164-F166 PolarHBondContact O-N 2.86Å; F166-D171 VanDerWaalsContact CA-OD2 3.31Å; F166-D171 WeakPolarHBondContact CA-OD2 3.35Å; F166-C172 HydrophobicContact CB-CB 4.04Å; F166-C172 VanDerWaalsContact CD1-CA 3.42Å; F166-C172 HydrophobicContact CD1-CB 3.78Å; F166-C172 HydrophobicContact CD2-CB 4.42Å; F166-C172 HydrophobicContact CE1-CB 4.35Å; F166-C172 HydrophobicContact CG-CB 3.8Å; F166-K175 HydrophobicContact CD1-CD 4.08Å; F166-K175 HydrophobicContact CE1-CB 4.37Å; F166-K175 HydrophobicContact CE1-CD 4.39Å; F166-I176 HydrophobicContact CE1-CD1 4.17Å; F166-I176 HydrophobicContact CE1-CG1 4.09Å; F166-I176 HydrophobicContact CZ-CD1 4.05Å; F166-I176 HydrophobicContact CZ-CG1 4.25Å
167K96.1Very high95.6Very high150 Ų15058.7 Ų58.765%0.65231%0.308SS*.SBendtrans-78.7-27.6174.6-64.6-177.2177.8-176.70112.2D171K167-D171 HydrophobicContact CB-CB 4.05Å; K167-D171 PolarHBondContact N-OD2 3.17Å
168G96Very high95.6Very high23 Ų2366 Ų6624%0.23734%0.339CS..SBendtrans176.8-166.9-179.700000112.8D171 C172G168-D171 PolarHBondContact O-N 3.42Å; G168-C172 VanDerWaalsContact O-CB 3.32Å; G168-C172 WeakPolarHBondContact O-CB 3.32Å; G168-C172 PolarHBondContact O-N 3.08Å
169L97.3Very high95.8Very high33 Ų3369 Ų6917%0.17336%0.359CS..Hα-helixtrans-58.7-52.9-177.5174.956.5000112.8A88 I91 L146 A149 L153 C172 I173A88-L169 HydrophobicContact CB-CD1 3.96Å; A88-L169 HydrophobicContact CB-CD2 4.29Å; I91-L169 HydrophobicContact CD1-CD2 3.84Å; L146-L169 HydrophobicContact CD2-CD1 4.18Å; L146-L169 HydrophobicContact CD2-CD2 4.05Å; A149-L169 HydrophobicContact CB-CD1 3.34Å; L153-L169 HydrophobicContact CD1-CB 4.33Å; L169-C172 PolarHBondContact O-N 2.85Å; L169-I173 HydrophobicContact CD1-CD1 3.68Å; L169-I173 HydrophobicContact CD1-CG1 4.2Å; L169-I173 HydrophobicContact CG-CD1 4.25Å; L169-I173 WeakPolarHBondContact O-CG1 3.43Å; L169-I173 PolarHBondContact O-N 2.95Å
170G97.7Very high96Very high41 Ų4165 Ų6542%0.42334%0.344SS..Hα-helixtrans-60.6-47.2179.300000112.1C172 I173 M174G170-C172 VanDerWaalsContact C-N 3.34Å; G170-C172 PolarHBondContact O-N 2.79Å; G170-I173 PolarHBondContact O-N 2.79Å; G170-M174 WeakPolarHBondContact O-CB 3.48Å; G170-M174 WeakPolarHBondContact O-CE 3.32Å; G170-M174 VanDerWaalsContact O-CG 3.28Å; G170-M174 WeakPolarHBondContact O-CG 3.15Å; G170-M174 PolarHBondContact O-N 3.08Å
171D97.9Very high96.4Very high34 Ų3465.5 Ų65.518%0.18235%0.349CS..Hα-helixtrans-59.3-43177.2-176.763.1000112.1F166 K167 G168 M174 K175F166-D171 VanDerWaalsContact CA-OD2 3.31Å; F166-D171 WeakPolarHBondContact CA-OD2 3.35Å; K167-D171 HydrophobicContact CB-CB 4.05Å; K167-D171 PolarHBondContact N-OD2 3.17Å; G168-D171 PolarHBondContact O-N 3.42Å; D171-M174 PolarHBondContact O-N 2.8Å; D171-K175 VanDerWaalsContact O-CB 3.28Å; D171-K175 WeakPolarHBondContact O-CB 3.3Å; D171-K175 WeakPolarHBondContact O-CG 3.39Å; D171-K175 PolarHBondContact O-N 3.01Å; D171-K175 WeakPolarHBondContact OD1-CE 3.24Å; D171-K175 IonicContact OD1-NZ 2.73Å; D171-K175 PolarHBondContact OD1-NZ 3.4Å; D171-K175 WeakPolarHBondContact OD2-CD 3.46Å; D171-K175 WeakPolarHBondContact OD2-CE 3.5Å; D171-K175 IonicContact OD2-NZ 2.78Å; D171-K175 PolarHBondContact OD2-NZ 3.23Å
172C98.2Very high96.7Very high0 Ų066.7 Ų66.70%035%0.349CS..Hα-helixtrans-60.7-47.6176.2-179.50000112.4A149 L153 F166 G168 L169 G170 I176A149-C172 HydrophobicContact CB-CB 4.4Å; L153-C172 HydrophobicContact CD2-CB 4.36Å; L153-C172 HydrophobicContact CG-CB 4.39Å; F166-C172 HydrophobicContact CB-CB 4.04Å; F166-C172 VanDerWaalsContact CD1-CA 3.42Å; F166-C172 HydrophobicContact CD1-CB 3.78Å; F166-C172 HydrophobicContact CD2-CB 4.42Å; F166-C172 HydrophobicContact CE1-CB 4.35Å; F166-C172 HydrophobicContact CG-CB 3.8Å; G168-C172 VanDerWaalsContact O-CB 3.32Å; G168-C172 WeakPolarHBondContact O-CB 3.32Å; G168-C172 PolarHBondContact O-N 3.08Å; L169-C172 PolarHBondContact O-N 2.85Å; G170-C172 VanDerWaalsContact C-N 3.34Å; G170-C172 PolarHBondContact O-N 2.79Å; C172-I176 WeakPolarHBondContact O-CB 3.33Å; C172-I176 WeakPolarHBondContact O-CG1 3.21Å; C172-I176 PolarHBondContact O-N 2.89Å
173I98.3Very high97Very high47 Ų4761.5 Ų61.524%0.24134%0.336CS..Hα-helixtrans-65.5-47.1179.8-68.9173.5000110.1A149 L169 G170 A177 L185A149-I173 HydrophobicContact CB-CD1 4.46Å; A149-I173 HydrophobicContact CB-CG1 4.04Å; L169-I173 HydrophobicContact CD1-CD1 3.68Å; L169-I173 HydrophobicContact CD1-CG1 4.2Å; L169-I173 HydrophobicContact CG-CD1 4.25Å; L169-I173 WeakPolarHBondContact O-CG1 3.43Å; L169-I173 PolarHBondContact O-N 2.95Å; G170-I173 PolarHBondContact O-N 2.79Å; I173-A177 VanDerWaalsContact O-CB 3.23Å; I173-A177 WeakPolarHBondContact O-CB 3.33Å; I173-A177 PolarHBondContact O-N 3.41Å; I173-L185 HydrophobicContact CG2-CD1 3.96Å; I173-L185 HydrophobicContact CG2-CD2 4.47Å
174M98.4Very high97.2Very high107 Ų10756 Ų5653%0.52731%0.311SS..Hα-helixtrans-65.4-46.9-177.2-72.2-173.4-65.400112.7G170 D171 I176 A177 K178G170-M174 WeakPolarHBondContact O-CB 3.48Å; G170-M174 WeakPolarHBondContact O-CE 3.32Å; G170-M174 VanDerWaalsContact O-CG 3.28Å; G170-M174 WeakPolarHBondContact O-CG 3.15Å; G170-M174 PolarHBondContact O-N 3.08Å; D171-M174 PolarHBondContact O-N 2.8Å; M174-I176 VanDerWaalsContact C-N 3.33Å; M174-I176 PolarHBondContact O-N 3.16Å; M174-A177 PolarHBondContact O-N 2.84Å; M174-K178 WeakPolarHBondContact O-CB 3.33Å; M174-K178 VanDerWaalsContact O-CG 3.28Å; M174-K178 WeakPolarHBondContact O-CG 3.39Å; M174-K178 PolarHBondContact O-N 2.78Å
175K98.2Very high97.3Very high83 Ų8353.5 Ų53.536%0.36130%0.302SS..Hα-helixtrans-59.7-45.1179.6-80176.5170.31630111.4Q165 F166 D171 K178 S179Q165-K175 PolarHBondContact O-NZ 2.78Å; F166-K175 HydrophobicContact CD1-CD 4.08Å; F166-K175 HydrophobicContact CE1-CB 4.37Å; F166-K175 HydrophobicContact CE1-CD 4.39Å; D171-K175 VanDerWaalsContact O-CB 3.28Å; D171-K175 WeakPolarHBondContact O-CB 3.3Å; D171-K175 WeakPolarHBondContact O-CG 3.39Å; D171-K175 PolarHBondContact O-N 3.01Å; D171-K175 WeakPolarHBondContact OD1-CE 3.24Å; D171-K175 IonicContact OD1-NZ 2.73Å; D171-K175 PolarHBondContact OD1-NZ 3.4Å; D171-K175 WeakPolarHBondContact OD2-CD 3.46Å; D171-K175 WeakPolarHBondContact OD2-CE 3.5Å; D171-K175 IonicContact OD2-NZ 2.78Å; D171-K175 PolarHBondContact OD2-NZ 3.23Å; K175-K178 PolarHBondContact O-N 3.06Å; K175-S179 WeakPolarHBondContact O-CB 3.39Å; K175-S179 PolarHBondContact O-N 3.22Å; K175-S179 PolarHBondContact O-OG 3.23Å
176I98.3Very high97.5Very high3 Ų354.5 Ų54.52%0.01530%0.304CS..Hα-helixtrans-71.1-41.1-178.7-61.3-67.6000111.5F148 F166 C172 M174 K178 S179 D180 L185 S254F148-I176 HydrophobicContact CE1-CB 4.3Å; F148-I176 HydrophobicContact CE1-CG1 3.88Å; F148-I176 HydrophobicContact CE1-CG2 4.03Å; F148-I176 HydrophobicContact CZ-CD1 4.37Å; F148-I176 HydrophobicContact CZ-CG1 4.16Å; F148-I176 HydrophobicContact CZ-CG2 3.93Å; F166-I176 HydrophobicContact CE1-CD1 4.17Å; F166-I176 HydrophobicContact CE1-CG1 4.09Å; F166-I176 HydrophobicContact CZ-CD1 4.05Å; F166-I176 HydrophobicContact CZ-CG1 4.25Å; C172-I176 WeakPolarHBondContact O-CB 3.33Å; C172-I176 WeakPolarHBondContact O-CG1 3.21Å; C172-I176 PolarHBondContact O-N 2.89Å; M174-I176 VanDerWaalsContact C-N 3.33Å; M174-I176 PolarHBondContact O-N 3.16Å; I176-K178 PolarHBondContact O-N 3.01Å; I176-S179 PolarHBondContact O-N 3.01Å; I176-S179 PolarHBondContact O-OG 3.12Å; I176-D180 PolarHBondContact O-N 3.35Å; I176-L185 HydrophobicContact CB-CD2 3.88Å; I176-L185 HydrophobicContact CG2-CD2 3.72Å; I176-L185 HydrophobicContact CG2-CG 4.15Å; I176-S254 WeakPolarHBondContact CD1-O 3.25Å
177A98.2Very high97.5Very high30 Ų3055.6 Ų55.625%0.24831%0.31CS..Hα-helixtrans-61.3-34.4173.700000112.2I173 M174 G181 I182 L185I173-A177 VanDerWaalsContact O-CB 3.23Å; I173-A177 WeakPolarHBondContact O-CB 3.33Å; I173-A177 PolarHBondContact O-N 3.41Å; M174-A177 PolarHBondContact O-N 2.84Å; A177-G181 CarbonylContact O-C 3.58Å; A177-G181 WeakPolarHBondContact O-CA 3.5Å; A177-G181 PolarHBondContact O-N 2.94Å; A177-G181 VanDerWaalsContact O-N 3.12Å; A177-I182 HydrophobicContact CB-CD1 4.04Å; A177-L185 HydrophobicContact CB-CD1 4.3Å
178K98Very high97.6Very high182 Ų18248.6 Ų48.679%0.79128%0.28SS*.Hα-helixtrans-74.3-40.2175.9-74.9179.3178.9-173.70113M174 K175 I176M174-K178 WeakPolarHBondContact O-CB 3.33Å; M174-K178 VanDerWaalsContact O-CG 3.28Å; M174-K178 WeakPolarHBondContact O-CG 3.39Å; M174-K178 PolarHBondContact O-N 2.78Å; K175-K178 PolarHBondContact O-N 3.06Å; I176-K178 PolarHBondContact O-N 3.01Å
179S96.9Very high97.7Very high71 Ų7149.9 Ų49.950%0.49728%0.279SS..Hα-helixtrans-80.4-40.6-176.366.40000113.4K175 I176K175-S179 WeakPolarHBondContact O-CB 3.39Å; K175-S179 PolarHBondContact O-N 3.22Å; K175-S179 PolarHBondContact O-OG 3.23Å; I176-S179 PolarHBondContact O-N 3.01Å; I176-S179 PolarHBondContact O-OG 3.12Å
180D96.3Very high97.6Very high48 Ų4850.2 Ų50.226%0.25729%0.29SS..Hα-helixtrans-118.4-1.5-169.2-66.833.7000112.5I176 S254 G255I176-D180 PolarHBondContact O-N 3.35Å; D180-S254 WeakPolarHBondContact OD2-CA 3.44Å; D180-S254 WeakPolarHBondContact OD2-CB 3.06Å; D180-S254 PolarHBondContact OD2-OG 3.48Å; D180-G255 WeakPolarHBondContact OD1-CA 3.49Å; D180-G255 PolarHBondContact OD1-N 2.89Å; D180-G255 PolarHBondContact OD2-N 3.4Å
181G97.2Very high97.7Very high31 Ų3148.2 Ų48.232%0.3227%0.27SS..  trans70.9-179.3-16700000112.7A177 A183 G184A177-G181 CarbonylContact O-C 3.58Å; A177-G181 WeakPolarHBondContact O-CA 3.5Å; A177-G181 PolarHBondContact O-N 2.94Å; A177-G181 VanDerWaalsContact O-N 3.12Å; G181-A183 PolarHBondContact O-N 3.43Å; G181-G184 PolarHBondContact O-N 3.25Å
182I97Very high97.7Very high110 Ų11047 Ų4756%0.56426%0.264SS*.G310 helixtrans-59.6-33.2177.7-59.3-57.4000111.5A177 G184 L185 Y186A177-I182 HydrophobicContact CB-CD1 4.04Å; I182-G184 PolarHBondContact O-N 3.16Å; I182-L185 HydrophobicContact CD1-CD1 4.46Å; I182-L185 WeakPolarHBondContact O-CB 3.18Å; I182-L185 PolarHBondContact O-N 3.25Å; I182-Y186 HydrophobicContact CG2-CD2 4.28Å; I182-Y186 HydrophobicContact CG2-CE2 3.91Å; I182-Y186 WeakPolarHBondContact O-CD2 3.11Å
183A96.5Very high97.6Very high67 Ų6748.1 Ų48.155%0.55427%0.271SS*.G310 helixtrans-60.7-25.8177.400000113.7G181 L185 Y186 Q187G181-A183 PolarHBondContact O-N 3.43Å; A183-L185 VanDerWaalsContact C-N 3.29Å; A183-L185 PolarHBondContact O-N 2.91Å; A183-Y186 PolarHBondContact O-N 3.02Å; A183-Q187 PolarHBondContact O-NE2 2.98Å
184G97.1Very high97.5Very high2 Ų250.3 Ų50.32%0.02128%0.28CS..G310 helixtrans-62.1-36172.400000113F148 G181 I182 Y186 Q187 S254F148-G184 WeakPolarHBondContact CE2-O 3.47Å; G181-G184 PolarHBondContact O-N 3.25Å; I182-G184 PolarHBondContact O-N 3.16Å; G184-Y186 PolarHBondContact O-N 3.13Å; G184-Q187 WeakPolarHBondContact O-CG 3.36Å; G184-Q187 PolarHBondContact O-N 3.48Å; G184-S254 WeakPolarHBondContact CA-OG 3.44Å; G184-S254 PolarHBondContact O-OG 3.27Å; G184-S254 VanDerWaalsContact O-OG 3.06Å
185L98.2Very high97.5Very high5 Ų545.7 Ų45.73%0.02626%0.26CS..G310 helixtrans-68.9-17.7177.5-61.9170.1000112.8Y144 P145 F148 I173 I176 A177 I182 A183Y144-L185 WeakPolarHBondContact CD1-O 3.39Å; P145-L185 HydrophobicContact CB-CB 4.42Å; P145-L185 HydrophobicContact CB-CD1 4.39Å; P145-L185 HydrophobicContact CG-CB 4.44Å; F148-L185 WeakPolarHBondContact CB-O 3.21Å; F148-L185 HydrophobicContact CD1-CD2 3.88Å; F148-L185 WeakPolarHBondContact CD2-O 3.34Å; F148-L185 HydrophobicContact CE1-CD2 4.08Å; I173-L185 HydrophobicContact CG2-CD1 3.96Å; I173-L185 HydrophobicContact CG2-CD2 4.47Å; I176-L185 HydrophobicContact CB-CD2 3.88Å; I176-L185 HydrophobicContact CG2-CD2 3.72Å; I176-L185 HydrophobicContact CG2-CG 4.15Å; A177-L185 HydrophobicContact CB-CD1 4.3Å; I182-L185 HydrophobicContact CD1-CD1 4.46Å; I182-L185 WeakPolarHBondContact O-CB 3.18Å; I182-L185 PolarHBondContact O-N 3.25Å; A183-L185 VanDerWaalsContact C-N 3.29Å; A183-L185 PolarHBondContact O-N 2.91Å
186Y98.3Very high97.4Very high69 Ų6944 Ų4427%0.27125%0.254SS..G310 helixtrans-104.813.6-177.5-70.7-96.8000113.6C141 Y144 P145 I182 A183 G184 G188 F189C141-Y186 WeakPolarHBondContact O-CE1 3.42Å; C141-Y186 PolarHBondContact O-OH 3.09Å; Y144-Y186 HydrophobicContact CD1-CD1 4.2Å; Y144-Y186 HydrophobicContact CD1-CG 4.45Å; Y144-Y186 HydrophobicContact CG-CD1 4.13Å; P145-Y186 HydrophobicContact CG-CE2 3.95Å; I182-Y186 HydrophobicContact CG2-CD2 4.28Å; I182-Y186 HydrophobicContact CG2-CE2 3.91Å; I182-Y186 WeakPolarHBondContact O-CD2 3.11Å; A183-Y186 PolarHBondContact O-N 3.02Å; G184-Y186 PolarHBondContact O-N 3.13Å; Y186-G188 PolarHBondContact O-N 3.23Å; Y186-F189 AromaticContact CD1-CD2 3.88Å; Y186-F189 HydrophobicContact CD1-CD2 3.88Å; Y186-F189 HydrophobicContact CD1-CE2 4.48Å; Y186-F189 HydrophobicContact CD1-CG 4.48Å; Y186-F189 WeakPolarHBondContact O-CB 3.39Å; Y186-F189 PolarHBondContact O-N 2.87Å
187Q97.9Very high97.2Very high32 Ų3246.9 Ų46.915%0.1527%0.27CS..THydrogen-bonded Turntrans-59.1124.5175.4-70.2-55.5-62.400111.6Y144 A183 G184 M250 M251 S254Y144-Q187 WeakPolarHBondContact CE1-O 2.88Å; Y144-Q187 PolarHBondContact OH-O 3.45Å; A183-Q187 PolarHBondContact O-NE2 2.98Å; G184-Q187 WeakPolarHBondContact O-CG 3.36Å; G184-Q187 PolarHBondContact O-N 3.48Å; Q187-M250 WeakPolarHBondContact CB-O 3.42Å; Q187-M251 WeakPolarHBondContact O-CG 3.35Å; Q187-S254 WeakPolarHBondContact CG-OG 3.49Å
188G97.8Very high97.1Very high2 Ų247.4 Ų47.42%0.02127%0.27CS..THydrogen-bonded Turntrans88.65.9-176.100000114.4Y144 Y186 G190 V191 S192Y144-G188 WeakPolarHBondContact OH-CA 3.4Å; Y144-G188 PolarHBondContact OH-O 3.23Å; Y144-G188 VanDerWaalsContact OH-O 3.05Å; Y186-G188 PolarHBondContact O-N 3.23Å; G188-G190 PolarHBondContact O-N 2.73Å; G188-V191 WeakPolarHBondContact O-CG1 3.42Å; G188-V191 PolarHBondContact O-N 3.1Å; G188-S192 PolarHBondContact O-N 2.72Å; G188-S192 PolarHBondContact O-OG 3.49Å
189F97.9Very high97.1Very high50 Ų5042.1 Ų42.122%0.21925%0.245CC..Hα-helixtrans-55.8-51.5-179.1178.3-87.7000112.4L140 Y144 Y186 V191 S192 V193L140-F189 HydrophobicContact CB-CD2 4.05Å; L140-F189 HydrophobicContact CB-CE2 3.46Å; L140-F189 VanDerWaalsContact CB-CE2 3.46Å; L140-F189 HydrophobicContact CB-CZ 4.28Å; Y144-F189 AromaticContact CD2-CD2 3.79Å; Y144-F189 HydrophobicContact CD2-CD2 3.79Å; Y144-F189 HydrophobicContact CE2-CB 4.25Å; Y144-F189 HydrophobicContact CE2-CD2 4.17Å; Y144-F189 HydrophobicContact CG-CD2 4.19Å; Y144-F189 PolarHBondContact OH-N 3.24Å; Y144-F189 VanDerWaalsContact OH-N 3.16Å; Y186-F189 AromaticContact CD1-CD2 3.88Å; Y186-F189 HydrophobicContact CD1-CD2 3.88Å; Y186-F189 HydrophobicContact CD1-CE2 4.48Å; Y186-F189 HydrophobicContact CD1-CG 4.48Å; Y186-F189 WeakPolarHBondContact O-CB 3.39Å; Y186-F189 PolarHBondContact O-N 2.87Å; F189-V191 PolarHBondContact O-N 2.85Å; F189-S192 WeakPolarHBondContact O-CA 3.39Å; F189-S192 WeakPolarHBondContact O-CB 3.16Å; F189-S192 PolarHBondContact O-N 3.32Å; F189-V193 HydrophobicContact CD1-CG2 4.32Å; F189-V193 HydrophobicContact CE1-CG2 3.87Å; F189-V193 HydrophobicContact CZ-CG2 4.13Å; F189-V193 PolarHBondContact O-N 3.07Å; F189-V193 VanDerWaalsContact O-N 3.13Å
190G96.7Very high96.9Very high40 Ų4043 Ų4341%0.41224%0.238SC..Hα-helixtrans-59-47-177.900000113.4G188 S192 V193 Q194G188-G190 PolarHBondContact O-N 2.73Å; G190-S192 PolarHBondContact O-N 3.46Å; G190-V193 PolarHBondContact O-N 3.49Å; G190-V193 VanDerWaalsContact O-N 3.16Å; G190-Q194 WeakPolarHBondContact O-CG 3.45Å; G190-Q194 PolarHBondContact O-N 2.81Å; G190-Q194 VanDerWaalsContact O-N 3.07Å
191V97.9Very high96.7Very high0 Ų042 Ų420%024%0.236CC..Hα-helixtrans-65.7-26176.566.10000112.4G188 F189 G195 F243 V246 R247 M250 T264 F268G188-V191 WeakPolarHBondContact O-CG1 3.42Å; G188-V191 PolarHBondContact O-N 3.1Å; F189-V191 PolarHBondContact O-N 2.85Å; V191-G195 PolarHBondContact O-N 3.32Å; V191-F243 HydrophobicContact CG2-CB 4.14Å; V191-F243 HydrophobicContact CG2-CD1 3.84Å; V191-F243 HydrophobicContact CG2-CG 4.45Å; V191-V246 HydrophobicContact CB-CG1 4.5Å; V191-V246 HydrophobicContact CG1-CG1 4.26Å; V191-V246 HydrophobicContact CG2-CB 4.19Å; V191-V246 HydrophobicContact CG2-CG1 4Å; V191-R247 HydrophobicContact CG1-CB 3.87Å; V191-M250 HydrophobicContact CG1-SD 4.07Å; V191-T264 HydrophobicContact CB-CG2 3.63Å; V191-T264 HydrophobicContact CG1-CG2 4.46Å; V191-T264 HydrophobicContact CG2-CG2 3.79Å; V191-F268 HydrophobicContact CG2-CE2 3.92Å; V191-F268 HydrophobicContact CG2-CZ 4.18Å
192S97.8Very high96.6Very high7 Ų741.6 Ų41.65%0.04923%0.228CC..Hα-helixtrans-66.9-43.5173.6-50.10000111.4Y144 G188 F189 G190 G195 I196 R247Y144-S192 WeakPolarHBondContact CE2-OG 3.4Å; Y144-S192 PolarHBondContact OH-OG 2.94Å; Y144-S192 VanDerWaalsContact OH-OG 3.04Å; G188-S192 PolarHBondContact O-N 2.72Å; G188-S192 PolarHBondContact O-OG 3.49Å; F189-S192 WeakPolarHBondContact O-CA 3.39Å; F189-S192 WeakPolarHBondContact O-CB 3.16Å; F189-S192 PolarHBondContact O-N 3.32Å; G190-S192 PolarHBondContact O-N 3.46Å; S192-G195 PolarHBondContact O-N 2.97Å; S192-I196 WeakPolarHBondContact O-CG1 3.21Å; S192-I196 PolarHBondContact O-N 2.8Å; S192-R247 WeakPolarHBondContact OG-CD 3.32Å; S192-R247 VanDerWaalsContact OG-CG 3.22Å; S192-R247 WeakPolarHBondContact OG-CG 3.47Å; S192-R247 PolarHBondContact OG-NE 3.07Å
193V97.1Very high96.4Very high25 Ų2538.9 Ų38.915%0.15221%0.211CC..Hα-helixtrans-64.7-44.2176.6179.20000110.6A137 L140 F189 G190 G195 I196 I197A137-V193 HydrophobicContact CB-CG1 4.17Å; A137-V193 HydrophobicContact CB-CG2 3.86Å; L140-V193 HydrophobicContact CD1-CG2 4.17Å; F189-V193 HydrophobicContact CD1-CG2 4.32Å; F189-V193 HydrophobicContact CE1-CG2 3.87Å; F189-V193 HydrophobicContact CZ-CG2 4.13Å; F189-V193 PolarHBondContact O-N 3.07Å; F189-V193 VanDerWaalsContact O-N 3.13Å; G190-V193 PolarHBondContact O-N 3.49Å; G190-V193 VanDerWaalsContact O-N 3.16Å; V193-G195 VanDerWaalsContact C-N 3.35Å; V193-G195 PolarHBondContact O-N 3.2Å; V193-I196 WeakPolarHBondContact O-CB 3.4Å; V193-I196 PolarHBondContact O-N 3.46Å; V193-I197 HydrophobicContact CG1-CD1 4.32Å; V193-I197 WeakPolarHBondContact O-CG1 3.07Å; V193-I197 PolarHBondContact O-N 3.11Å; V193-I197 VanDerWaalsContact O-N 3.13Å
194Q96.9Very high96Very high92 Ų9237.8 Ų37.843%0.4319%0.194SC..Hα-helixtrans-58.1-46.1174.6-67.7169.3-8.800111.7G190 I196 I197 V198 F243G190-Q194 WeakPolarHBondContact O-CG 3.45Å; G190-Q194 PolarHBondContact O-N 2.81Å; G190-Q194 VanDerWaalsContact O-N 3.07Å; Q194-I196 VanDerWaalsContact C-N 3.32Å; Q194-I196 PolarHBondContact O-N 2.92Å; Q194-I197 PolarHBondContact O-N 3.19Å; Q194-I197 VanDerWaalsContact O-N 3.13Å; Q194-V198 VanDerWaalsContact O-CG2 3.32Å; Q194-V198 WeakPolarHBondContact O-CG2 3.17Å; Q194-V198 PolarHBondContact O-N 3.01Å; Q194-F243 HydrophobicContact CB-CD1 3.91Å; Q194-F243 HydrophobicContact CB-CE1 3.95Å
195G97.9Very high95.4Very high11 Ų1139 Ų3911%0.11321%0.207CC..Hα-helixtrans-60.2-37.9176.900000113.3V191 S192 V193 V198 Y199V191-G195 PolarHBondContact O-N 3.32Å; S192-G195 PolarHBondContact O-N 2.97Å; V193-G195 VanDerWaalsContact C-N 3.35Å; V193-G195 PolarHBondContact O-N 3.2Å; G195-V198 PolarHBondContact O-N 2.95Å; G195-Y199 WeakPolarHBondContact O-CB 3.35Å; G195-Y199 PolarHBondContact O-N 3.35Å
196I95.3Very high95Very high46 Ų4640.5 Ų40.524%0.23622%0.22CC..Hα-helixtrans-62.4-43.8174.2-69.8166.5000111L140 S192 V193 Q194 R200L140-I196 HydrophobicContact CD1-CD1 3.8Å; L140-I196 HydrophobicContact CG-CD1 4.48Å; S192-I196 WeakPolarHBondContact O-CG1 3.21Å; S192-I196 PolarHBondContact O-N 2.8Å; V193-I196 WeakPolarHBondContact O-CB 3.4Å; V193-I196 PolarHBondContact O-N 3.46Å; Q194-I196 VanDerWaalsContact C-N 3.32Å; Q194-I196 PolarHBondContact O-N 2.92Å; I196-R200 HydrophobicContact CG2-CG 4.5Å; I196-R200 WeakPolarHBondContact O-CB 3.46Å; I196-R200 WeakPolarHBondContact O-CG 3.46Å; I196-R200 PolarHBondContact O-N 2.9Å
197I95.4Very high94.5Very high65 Ų6539.4 Ų39.433%0.33322%0.216SC..Hα-helixtrans-64.3-46.7179.6-65.7167.6000110.2V193 Q194 R200 A201V193-I197 HydrophobicContact CG1-CD1 4.32Å; V193-I197 WeakPolarHBondContact O-CG1 3.07Å; V193-I197 PolarHBondContact O-N 3.11Å; V193-I197 VanDerWaalsContact O-N 3.13Å; Q194-I197 PolarHBondContact O-N 3.19Å; Q194-I197 VanDerWaalsContact O-N 3.13Å; I197-R200 PolarHBondContact O-N 3.25Å; I197-A201 VanDerWaalsContact O-CB 3.32Å; I197-A201 WeakPolarHBondContact O-CB 2.99Å; I197-A201 PolarHBondContact O-N 3.42Å
198V96.2Very high93.8Very high41 Ų4140 Ų4025%0.24822%0.219CC..Hα-helixtrans-62-45.2178.4174.40000111.3Q194 G195 R200 A201 S202 F243Q194-V198 VanDerWaalsContact O-CG2 3.32Å; Q194-V198 WeakPolarHBondContact O-CG2 3.17Å; Q194-V198 PolarHBondContact O-N 3.01Å; G195-V198 PolarHBondContact O-N 2.95Å; V198-R200 PolarHBondContact O-N 3.36Å; V198-A201 PolarHBondContact O-N 3.48Å; V198-S202 WeakPolarHBondContact O-CB 3.22Å; V198-S202 PolarHBondContact O-N 2.86Å; V198-S202 PolarHBondContact O-OG 2.89Å; V198-F243 HydrophobicContact CB-CE2 4.28Å; V198-F243 HydrophobicContact CG1-CE2 4.11Å; V198-F243 HydrophobicContact CG2-CD2 4.37Å; V198-F243 HydrophobicContact CG2-CE1 4.3Å; V198-F243 HydrophobicContact CG2-CE2 3.77Å; V198-F243 HydrophobicContact CG2-CZ 3.73Å
199Y96.4Very high93.2Very high70 Ų7044 Ų4428%0.27524%0.244SC..Hα-helixtrans-59.1-47.3175.2176.6-91.4000111.2G195 S202 Y203G195-Y199 WeakPolarHBondContact O-CB 3.35Å; G195-Y199 PolarHBondContact O-N 3.35Å; Y199-S202 PolarHBondContact O-OG 2.87Å; Y199-Y203 VanDerWaalsContact O-CB 3.22Å; Y199-Y203 WeakPolarHBondContact O-CB 3.4Å; Y199-Y203 PolarHBondContact O-N 3.34Å
200R92.6Very high92.7Very high91 Ų9144.3 Ų44.334%0.34325%0.25SC..Hα-helixtrans-66.6-42.2-179.6-76.2-177.9175.2-90.13112.6L129 I196 I197 V198 Y203 F204L129-R200 HydrophobicContact CD2-CB 4.02Å; I196-R200 HydrophobicContact CG2-CG 4.5Å; I196-R200 WeakPolarHBondContact O-CB 3.46Å; I196-R200 WeakPolarHBondContact O-CG 3.46Å; I196-R200 PolarHBondContact O-N 2.9Å; I197-R200 PolarHBondContact O-N 3.25Å; V198-R200 PolarHBondContact O-N 3.36Å; R200-Y203 PolarHBondContact O-N 3Å; R200-F204 VanDerWaalsContact O-CD2 3.25Å; R200-F204 WeakPolarHBondContact O-CD2 3.37Å; R200-F204 PolarHBondContact O-N 3.48Å
201A93.3Very high92.1Very high27 Ų2744.5 Ų44.522%0.22324%0.239CC..Hα-helixtrans-59.7-49.7177.700000111.4F125 L129 I197 V198 G205F125-A201 HydrophobicContact CZ-CB 3.98Å; L129-A201 HydrophobicContact CD1-CB 3.94Å; L129-A201 HydrophobicContact CD2-CB 3.8Å; I197-A201 VanDerWaalsContact O-CB 3.32Å; I197-A201 WeakPolarHBondContact O-CB 2.99Å; I197-A201 PolarHBondContact O-N 3.42Å; V198-A201 PolarHBondContact O-N 3.48Å; A201-G205 PolarHBondContact O-N 3.33Å
202S94.6Very high91.5Very high21 Ų2147 Ų4715%0.14727%0.266CS..Hα-helixtrans-65.2-40.7176.7600000112.5V198 Y199 A206 S236V198-S202 WeakPolarHBondContact O-CB 3.22Å; V198-S202 PolarHBondContact O-N 2.86Å; V198-S202 PolarHBondContact O-OG 2.89Å; Y199-S202 PolarHBondContact O-OG 2.87Å; S202-A206 WeakPolarHBondContact O-CB 3.46Å; S202-A206 PolarHBondContact O-N 3.07Å; S202-S236 VanDerWaalsContact C-OG 3.26Å; S202-S236 WeakPolarHBondContact OG-CA 3.48Å; S202-S236 WeakPolarHBondContact OG-CB 3.46Å; S202-S236 PolarHBondContact OG-OG 3.2Å
203Y93.1Very high91Very high53 Ų5353.5 Ų53.521%0.20830%0.299CS..Hα-helixtrans-62.4-51.5-179.6-179-82.9000111.1Y199 R200 Y207 V232 T233 S236Y199-Y203 VanDerWaalsContact O-CB 3.22Å; Y199-Y203 WeakPolarHBondContact O-CB 3.4Å; Y199-Y203 PolarHBondContact O-N 3.34Å; R200-Y203 PolarHBondContact O-N 3Å; Y203-Y207 HydrophobicContact CE1-CG 4.41Å; Y203-Y207 WeakPolarHBondContact O-CB 3.35Å; Y203-Y207 PolarHBondContact O-N 3.41Å; Y203-V232 HydrophobicContact CD2-CG1 3.63Å; Y203-V232 HydrophobicContact CE2-CG1 3.96Å; Y203-V232 HydrophobicContact CG-CG1 4.04Å; Y203-V232 WeakPolarHBondContact O-CG1 3.47Å; Y203-T233 WeakPolarHBondContact CE2-OG1 3.45Å; Y203-S236 WeakPolarHBondContact CA-OG 3.38Å; Y203-S236 PolarHBondContact N-OG 2.86Å
204F86.9Confident90.6Very high44 Ų4454.7 Ų54.719%0.19330%0.304CS..Hα-helixtrans-66.3-44-179.6-77.3-61000112W124 F125 N128 R200 D208W124-F204 HydrophobicContact CH2-CD1 4.39Å; F125-F204 HydrophobicContact CE2-CB 4.23Å; N128-F204 HydrophobicContact CB-CE2 4.23Å; R200-F204 VanDerWaalsContact O-CD2 3.25Å; R200-F204 WeakPolarHBondContact O-CD2 3.37Å; R200-F204 PolarHBondContact O-N 3.48Å; F204-D208 VanDerWaalsContact O-CB 3.32Å; F204-D208 WeakPolarHBondContact O-CB 3.43Å; F204-D208 PolarHBondContact O-N 2.74Å
205G85.2Confident90Very high28 Ų2856.5 Ų56.529%0.28932%0.324SS..Hα-helixtrans-57.1-55176.800000111.6A201 T209A201-G205 PolarHBondContact O-N 3.33Å; G205-T209 WeakPolarHBondContact O-CB 3.35Å; G205-T209 PolarHBondContact O-N 3.07Å; G205-T209 PolarHBondContact O-OG1 2.94Å
206A89.7Confident89.5Confident37 Ų3763 Ų6331%0.30635%0.349SS..Hα-helixtrans-67.1-41-178.400000112.8S202 T209 V210 V232S202-A206 WeakPolarHBondContact O-CB 3.46Å; S202-A206 PolarHBondContact O-N 3.07Å; A206-T209 PolarHBondContact O-N 3.42Å; A206-V210 WeakPolarHBondContact O-CB 3.29Å; A206-V210 VanDerWaalsContact O-CG2 3.22Å; A206-V210 WeakPolarHBondContact O-CG2 3.44Å; A206-V210 PolarHBondContact O-N 3.43Å; A206-V232 HydrophobicContact CB-CG1 3.93Å; A206-V232 HydrophobicContact CB-CG2 4.15Å
207Y87.6Confident88.8Confident46 Ų4663.3 Ų63.318%0.1835%0.354CS..Hα-helixtrans-64.4-45.6-179.5-170.1-98000112.4Y203 K211 I228 A229 V232Y203-Y207 HydrophobicContact CE1-CG 4.41Å; Y203-Y207 WeakPolarHBondContact O-CB 3.35Å; Y203-Y207 PolarHBondContact O-N 3.41Å; Y207-K211 HydrophobicContact CD1-CD 4.26Å; Y207-K211 HydrophobicContact CE1-CD 3.55Å; Y207-K211 HydrophobicContact CE1-CG 4.21Å; Y207-K211 VanDerWaalsContact CZ-CE 3.42Å; Y207-K211 WeakPolarHBondContact O-CB 3.45Å; Y207-K211 PolarHBondContact O-N 3.2Å; Y207-K211 WeakPolarHBondContact OH-CE 3.22Å; Y207-K211 PolarHBondContact OH-NZ 2.88Å; Y207-I228 HydrophobicContact CD2-CG2 3.94Å; Y207-I228 HydrophobicContact CE2-CG2 3.99Å; Y207-A229 HydrophobicContact CE2-CB 4.18Å; Y207-V232 HydrophobicContact CD2-CG2 4.41Å
208D84.1Confident88.2Confident43 Ų4369.7 Ų69.723%0.2338%0.379CS..Hα-helixtrans-67-40.6178.7-77.4-24.7000111.2K117 W124 F204 G212K117-D208 WeakPolarHBondContact CE-OD2 3.38Å; K117-D208 IonicContact NZ-OD1 2.9Å; K117-D208 PolarHBondContact NZ-OD1 3.11Å; K117-D208 IonicContact NZ-OD2 2.72Å; K117-D208 PolarHBondContact NZ-OD2 2.91Å; W124-D208 WeakPolarHBondContact CH2-OD2 3.46Å; F204-D208 VanDerWaalsContact O-CB 3.32Å; F204-D208 WeakPolarHBondContact O-CB 3.43Å; F204-D208 PolarHBondContact O-N 2.74Å; D208-G212 PolarHBondContact O-N 3.33Å
209T85.4Confident87.8Confident86 Ų8675.9 Ų75.953%0.52840%0.403SS..Hα-helixtrans-60.8-53174.6-63.10000111.2G205 A206 K211 G212 L213G205-T209 WeakPolarHBondContact O-CB 3.35Å; G205-T209 PolarHBondContact O-N 3.07Å; G205-T209 PolarHBondContact O-OG1 2.94Å; A206-T209 PolarHBondContact O-N 3.42Å; T209-K211 VanDerWaalsContact C-N 3.34Å; T209-K211 PolarHBondContact O-N 2.9Å; T209-G212 PolarHBondContact O-N 3.49Å; T209-G212 VanDerWaalsContact O-N 3.15Å; T209-L213 HydrophobicContact CG2-CD1 4.29Å; T209-L213 WeakPolarHBondContact O-CG 3.44Å; T209-L213 PolarHBondContact O-N 3.35Å; T209-L213 VanDerWaalsContact O-N 3.11Å
210V87.1Confident87.3Confident57 Ų5773.7 Ų73.735%0.34540%0.397SS..Hα-helixtrans-62.6-41.7-177.6175.40000111.1A206 L213 I228A206-V210 WeakPolarHBondContact O-CB 3.29Å; A206-V210 VanDerWaalsContact O-CG2 3.22Å; A206-V210 WeakPolarHBondContact O-CG2 3.44Å; A206-V210 PolarHBondContact O-N 3.43Å; V210-L213 PolarHBondContact O-N 3.19Å; V210-I228 HydrophobicContact CB-CG2 4.1Å; V210-I228 HydrophobicContact CG1-CB 4.36Å; V210-I228 HydrophobicContact CG1-CD1 3.99Å; V210-I228 HydrophobicContact CG1-CG1 3.83Å; V210-I228 HydrophobicContact CG1-CG2 3.65Å
211K84.2Confident87.1Confident44 Ų4473.4 Ų73.419%0.19141%0.407CS..Hα-helixtrans-67.3-37.3174.9-83.7-159.2164.4-179.60113.1Y207 T209 L213 L214 P217 S225Y207-K211 HydrophobicContact CD1-CD 4.26Å; Y207-K211 HydrophobicContact CE1-CD 3.55Å; Y207-K211 HydrophobicContact CE1-CG 4.21Å; Y207-K211 VanDerWaalsContact CZ-CE 3.42Å; Y207-K211 WeakPolarHBondContact O-CB 3.45Å; Y207-K211 PolarHBondContact O-N 3.2Å; Y207-K211 WeakPolarHBondContact OH-CE 3.22Å; Y207-K211 PolarHBondContact OH-NZ 2.88Å; T209-K211 VanDerWaalsContact C-N 3.34Å; T209-K211 PolarHBondContact O-N 2.9Å; K211-L213 VanDerWaalsContact C-N 3.25Å; K211-L213 PolarHBondContact O-N 2.94Å; K211-L214 WeakPolarHBondContact O-CB 3.48Å; K211-L214 PolarHBondContact O-N 2.82Å; K211-P217 VanDerWaalsContact O-CB 3.28Å; K211-P217 WeakPolarHBondContact O-CB 3.34Å; K211-P217 VanDerWaalsContact O-CG 3.27Å; K211-P217 WeakPolarHBondContact O-CG 3.36Å; K211-S225 PolarHBondContact NZ-OG 3.44Å
212G84Confident86.8Confident54 Ų5479.9 Ų79.956%0.55743%0.43SS*.Hα-helixtrans-65.1-27.6179.100000113.6D208 T209 L214D208-G212 PolarHBondContact O-N 3.33Å; T209-G212 PolarHBondContact O-N 3.49Å; T209-G212 VanDerWaalsContact O-N 3.15Å; G212-L214 VanDerWaalsContact C-N 3.29Å; G212-L214 PolarHBondContact O-N 3.1Å
213L87.6Confident86.4Confident142 Ų14284.4 Ų84.474%0.74345%0.452SS*.THydrogen-bonded Turntrans-76.8-12175.7-66.4172.7000113.6T209 V210 K211T209-L213 HydrophobicContact CG2-CD1 4.29Å; T209-L213 WeakPolarHBondContact O-CG 3.44Å; T209-L213 PolarHBondContact O-N 3.35Å; T209-L213 VanDerWaalsContact O-N 3.11Å; V210-L213 PolarHBondContact O-N 3.19Å; K211-L213 VanDerWaalsContact C-N 3.25Å; K211-L213 PolarHBondContact O-N 2.94Å
214L88.8Confident86.2Confident50 Ų5084.8 Ų84.826%0.26246%0.46SS..SBendtrans-76.8146.8179.2-64.9176.6000111.4K211 G212 K216 P217 T220 V224 I228K211-L214 WeakPolarHBondContact O-CB 3.48Å; K211-L214 PolarHBondContact O-N 2.82Å; G212-L214 VanDerWaalsContact C-N 3.29Å; G212-L214 PolarHBondContact O-N 3.1Å; L214-K216 PolarHBondContact O-N 3.05Å; L214-K216 VanDerWaalsContact O-N 3.15Å; L214-P217 VanDerWaalsContact O-CD 3.22Å; L214-P217 WeakPolarHBondContact O-CD 3.43Å; L214-P217 WeakPolarHBondContact O-CG 3.42Å; L214-T220 HydrophobicContact CD1-CG2 3.57Å; L214-T220 WeakPolarHBondContact CD1-OG1 3.41Å; L214-V224 HydrophobicContact CD1-CG1 4.49Å; L214-I228 HydrophobicContact CD1-CD1 3.73Å
215P85.7Confident86.2Confident130 Ų13083.6 Ų83.684%0.84446%0.457SS*.SBendtrans-58.8-31.4179.9-2633.6000114.6
216K86.1Confident86.3Confident147 Ų14785.8 Ų85.864%0.63946%0.459SS*.SBendtrans-137.374.3179.5-64.3-179.3-176.5171.30110.7L214 K218 K219 T220L214-K216 PolarHBondContact O-N 3.05Å; L214-K216 VanDerWaalsContact O-N 3.15Å; K216-K218 VanDerWaalsContact C-N 3.26Å; K216-K218 PolarHBondContact O-N 2.63Å; K216-K218 VanDerWaalsContact O-N 3.13Å; K216-K219 HydrophobicContact CB-CB 4.21Å; K216-K219 CarbonylContact O-C 3.41Å; K216-K219 PolarHBondContact O-N 3.04Å; K216-T220 PolarHBondContact O-N 3.05Å; K216-T220 PolarHBondContact O-OG1 3.45Å
217P81.1Confident86.3Confident54 Ų5490.2 Ų90.235%0.35147%0.471SS..G310 helixtrans-54.9-40.5-171.9-26.335.4000113.3K211 L214 K219 T220K211-P217 VanDerWaalsContact O-CB 3.28Å; K211-P217 WeakPolarHBondContact O-CB 3.34Å; K211-P217 VanDerWaalsContact O-CG 3.27Å; K211-P217 WeakPolarHBondContact O-CG 3.36Å; L214-P217 VanDerWaalsContact O-CD 3.22Å; L214-P217 WeakPolarHBondContact O-CD 3.43Å; L214-P217 WeakPolarHBondContact O-CG 3.42Å; P217-K219 VanDerWaalsContact C-N 3.33Å; P217-K219 PolarHBondContact O-N 3.06Å; P217-T220 PolarHBondContact O-OG1 3.16Å
218K82.3Confident86.4Confident199 Ų19988.9 Ų88.987%0.86547%0.467SS*.G310 helixtrans-72.6-18-180-65.7-176.4179.7179.90114.4K216K216-K218 VanDerWaalsContact C-N 3.26Å; K216-K218 PolarHBondContact O-N 2.63Å; K216-K218 VanDerWaalsContact O-N 3.13Å
219K87.3Confident86.6Confident171 Ų17187.9 Ų87.974%0.74346%0.464SS*.G310 helixtrans-115.320.4-179.8-62.1-172.5177.6-175.20112.5K216 P217 P221K216-K219 HydrophobicContact CB-CB 4.21Å; K216-K219 CarbonylContact O-C 3.41Å; K216-K219 PolarHBondContact O-N 3.04Å; P217-K219 VanDerWaalsContact C-N 3.33Å; P217-K219 PolarHBondContact O-N 3.06Å; K219-P221 WeakPolarHBondContact O-CD 3.11Å
220T85.9Confident86.8Confident24 Ų2486 Ų8615%0.14745%0.45CS..  trans-60.1125-179.7-55.80000110.1L214 K216 P217 V224 S225L214-T220 HydrophobicContact CD1-CG2 3.57Å; L214-T220 WeakPolarHBondContact CD1-OG1 3.41Å; K216-T220 PolarHBondContact O-N 3.05Å; K216-T220 PolarHBondContact O-OG1 3.45Å; P217-T220 PolarHBondContact O-OG1 3.16Å; T220-V224 HydrophobicContact CG2-CB 3.78Å; T220-V224 HydrophobicContact CG2-CG1 3.62Å; T220-S225 WeakPolarHBondContact CG2-OG 3.24Å
221P89.4Confident87.1Confident84 Ų8487.5 Ų87.555%0.54546%0.459SS..  trans-54.2149.5177.6-26.334.4000112.5K219 L223 V224 S225K219-P221 WeakPolarHBondContact O-CD 3.11Å; P221-L223 PolarHBondContact O-N 3.04Å; P221-V224 HydrophobicContact CB-CB 4.48Å; P221-V224 HydrophobicContact CB-CG2 4.14Å; P221-V224 HydrophobicContact CG-CG2 4.27Å; P221-V224 PolarHBondContact O-N 2.99Å; P221-V224 VanDerWaalsContact O-N 3.15Å; P221-S225 PolarHBondContact O-N 3.25Å
222F86.1Confident87.6Confident163 Ų16385.5 Ų85.572%0.71545%0.451SS*.Hα-helixtrans-54.7-48.1-177.5172-97.9000112.4V224 S225 F226F222-V224 VanDerWaalsContact C-N 3.33Å; F222-V224 PolarHBondContact O-N 3.21Å; F222-S225 PolarHBondContact O-N 3.19Å; F222-F226 WeakPolarHBondContact O-CB 3.25Å; F222-F226 PolarHBondContact O-N 3.07Å
223L87.3Confident88Confident116 Ų11685.3 Ų85.361%0.60744%0.439SS*.Hα-helixtrans-59.8-42.3179.3-69.8174.4000112P221 F226 F227P221-L223 PolarHBondContact O-N 3.04Å; L223-F226 WeakPolarHBondContact O-CB 3.4Å; L223-F226 PolarHBondContact O-N 3.46Å; L223-F227 WeakPolarHBondContact O-CD2 3.39Å; L223-F227 PolarHBondContact O-N 3.15Å
224V88.8Confident88.4Confident61 Ų6180.4 Ų80.437%0.3741%0.414SS..Hα-helixtrans-64.6-45.3177179.60000110.5L214 T220 P221 F222 F226 F227 I228L214-V224 HydrophobicContact CD1-CG1 4.49Å; T220-V224 HydrophobicContact CG2-CB 3.78Å; T220-V224 HydrophobicContact CG2-CG1 3.62Å; P221-V224 HydrophobicContact CB-CB 4.48Å; P221-V224 HydrophobicContact CB-CG2 4.14Å; P221-V224 HydrophobicContact CG-CG2 4.27Å; P221-V224 PolarHBondContact O-N 2.99Å; P221-V224 VanDerWaalsContact O-N 3.15Å; F222-V224 VanDerWaalsContact C-N 3.33Å; F222-V224 PolarHBondContact O-N 3.21Å; V224-F226 VanDerWaalsContact C-N 3.28Å; V224-F226 PolarHBondContact O-N 3.19Å; V224-F227 PolarHBondContact O-N 3.39Å; V224-I228 HydrophobicContact CG1-CD1 3.84Å; V224-I228 HydrophobicContact CG1-CG1 4.5Å; V224-I228 VanDerWaalsContact O-CG1 3.26Å; V224-I228 WeakPolarHBondContact O-CG1 3.25Å; V224-I228 PolarHBondContact O-N 3.35Å
225S87.3Confident88.7Confident20 Ų2081.4 Ų81.414%0.1443%0.425CS..Hα-helixtrans-61.2-36.3175.1-72.20000112.6K211 T220 P221 F222 A229K211-S225 PolarHBondContact NZ-OG 3.44Å; T220-S225 WeakPolarHBondContact CG2-OG 3.24Å; P221-S225 PolarHBondContact O-N 3.25Å; F222-S225 PolarHBondContact O-N 3.19Å; S225-A229 WeakPolarHBondContact O-CB 3.04Å; S225-A229 PolarHBondContact O-N 3.25Å
226F86.3Confident89.3Confident74 Ų7475.3 Ų75.333%0.32539%0.385SS..Hα-helixtrans-65.2-50176.4175.3-93.4000111.3F222 L223 V224 I228 A229 Q230F222-F226 WeakPolarHBondContact O-CB 3.25Å; F222-F226 PolarHBondContact O-N 3.07Å; L223-F226 WeakPolarHBondContact O-CB 3.4Å; L223-F226 PolarHBondContact O-N 3.46Å; V224-F226 VanDerWaalsContact C-N 3.28Å; V224-F226 PolarHBondContact O-N 3.19Å; F226-I228 PolarHBondContact O-N 2.96Å; F226-A229 WeakPolarHBondContact O-CB 3.22Å; F226-A229 PolarHBondContact O-N 2.83Å; F226-A229 VanDerWaalsContact O-N 3.16Å; F226-Q230 HydrophobicContact CD1-CG 4.22Å; F226-Q230 HydrophobicContact CE1-CG 3.81Å; F226-Q230 HydrophobicContact CE2-CG 4.43Å; F226-Q230 HydrophobicContact CZ-CG 3.92Å; F226-Q230 WeakPolarHBondContact O-CG 3.33Å; F226-Q230 PolarHBondContact O-N 2.91Å
227F88.9Confident89.8Confident130 Ų13068.9 Ų68.957%0.5736%0.361SS*.Hα-helixtrans-63.4-40.7177.9-76.8-66.3000112.4L223 V224 A229 Q230 V231L223-F227 WeakPolarHBondContact O-CD2 3.39Å; L223-F227 PolarHBondContact O-N 3.15Å; V224-F227 PolarHBondContact O-N 3.39Å; F227-A229 VanDerWaalsContact C-N 3.32Å; F227-A229 PolarHBondContact O-N 2.96Å; F227-Q230 PolarHBondContact O-N 3.46Å; F227-V231 WeakPolarHBondContact O-CG2 3.17Å; F227-V231 PolarHBondContact O-N 3.16Å
228I90.3Very high90.5Very high18 Ų1869.8 Ų69.89%0.09236%0.362CS..Hα-helixtrans-58.1-46.9172.7-69.3166.4000110.3Y207 V210 L214 V224 F226 Q230 V231 V232Y207-I228 HydrophobicContact CD2-CG2 3.94Å; Y207-I228 HydrophobicContact CE2-CG2 3.99Å; V210-I228 HydrophobicContact CB-CG2 4.1Å; V210-I228 HydrophobicContact CG1-CB 4.36Å; V210-I228 HydrophobicContact CG1-CD1 3.99Å; V210-I228 HydrophobicContact CG1-CG1 3.83Å; V210-I228 HydrophobicContact CG1-CG2 3.65Å; L214-I228 HydrophobicContact CD1-CD1 3.73Å; V224-I228 HydrophobicContact CG1-CD1 3.84Å; V224-I228 HydrophobicContact CG1-CG1 4.5Å; V224-I228 VanDerWaalsContact O-CG1 3.26Å; V224-I228 WeakPolarHBondContact O-CG1 3.25Å; V224-I228 PolarHBondContact O-N 3.35Å; F226-I228 PolarHBondContact O-N 2.96Å; I228-Q230 VanDerWaalsContact C-N 3.33Å; I228-Q230 PolarHBondContact O-N 3.37Å; I228-V231 PolarHBondContact O-N 2.98Å; I228-V232 HydrophobicContact CG2-CG2 4.2Å; I228-V232 WeakPolarHBondContact O-CB 3.46Å; I228-V232 VanDerWaalsContact O-CG2 3.25Å; I228-V232 WeakPolarHBondContact O-CG2 3.2Å; I228-V232 PolarHBondContact O-N 3.04Å
229A88.9Confident91.2Very high21 Ų2165.3 Ų65.317%0.17435%0.347CS..Hα-helixtrans-60.6-41.6177.500000111.8Y207 S225 F226 F227 V232 T233Y207-A229 HydrophobicContact CE2-CB 4.18Å; S225-A229 WeakPolarHBondContact O-CB 3.04Å; S225-A229 PolarHBondContact O-N 3.25Å; F226-A229 WeakPolarHBondContact O-CB 3.22Å; F226-A229 PolarHBondContact O-N 2.83Å; F226-A229 VanDerWaalsContact O-N 3.16Å; F227-A229 VanDerWaalsContact C-N 3.32Å; F227-A229 PolarHBondContact O-N 2.96Å; A229-V232 PolarHBondContact O-N 2.75Å; A229-T233 WeakPolarHBondContact O-CB 3.21Å; A229-T233 PolarHBondContact O-N 3.43Å; A229-T233 PolarHBondContact O-OG1 2.69Å
230Q89.9Confident91.7Very high46 Ų4657.9 Ų57.922%0.21532%0.317CS..Hα-helixtrans-63.2-45.4177-69-57.8-51.500112.6F226 F227 I228 T234F226-Q230 HydrophobicContact CD1-CG 4.22Å; F226-Q230 HydrophobicContact CE1-CG 3.81Å; F226-Q230 HydrophobicContact CE2-CG 4.43Å; F226-Q230 HydrophobicContact CZ-CG 3.92Å; F226-Q230 WeakPolarHBondContact O-CG 3.33Å; F226-Q230 PolarHBondContact O-N 2.91Å; F227-Q230 PolarHBondContact O-N 3.46Å; I228-Q230 VanDerWaalsContact C-N 3.33Å; I228-Q230 PolarHBondContact O-N 3.37Å; Q230-T234 WeakPolarHBondContact O-CB 3.36Å; Q230-T234 PolarHBondContact O-N 2.84Å; Q230-T234 PolarHBondContact O-OG1 3.46Å
231V92.5Very high92.3Very high89 Ų8957 Ų5754%0.53931%0.31SS..Hα-helixtrans-62.9-48.7177.6172.20000110.2F227 I228 T234 C235F227-V231 WeakPolarHBondContact O-CG2 3.17Å; F227-V231 PolarHBondContact O-N 3.16Å; I228-V231 PolarHBondContact O-N 2.98Å; V231-T234 WeakPolarHBondContact O-CB 3.45Å; V231-T234 PolarHBondContact O-N 3.25Å; V231-C235 PolarHBondContact O-N 2.87Å; V231-C235 PolarHBondContact O-SG 3.41Å; V231-C235 VanDerWaalsContact O-SG 3.35Å
232V94.4Very high92.8Very high3 Ų353.9 Ų53.92%0.01829%0.291CS..Hα-helixtrans-63.4-45.7179.6173.80000111.3Y203 A206 Y207 I228 A229 T234 C235 S236Y203-V232 HydrophobicContact CD2-CG1 3.63Å; Y203-V232 HydrophobicContact CE2-CG1 3.96Å; Y203-V232 HydrophobicContact CG-CG1 4.04Å; Y203-V232 WeakPolarHBondContact O-CG1 3.47Å; A206-V232 HydrophobicContact CB-CG1 3.93Å; A206-V232 HydrophobicContact CB-CG2 4.15Å; Y207-V232 HydrophobicContact CD2-CG2 4.41Å; I228-V232 HydrophobicContact CG2-CG2 4.2Å; I228-V232 WeakPolarHBondContact O-CB 3.46Å; I228-V232 VanDerWaalsContact O-CG2 3.25Å; I228-V232 WeakPolarHBondContact O-CG2 3.2Å; I228-V232 PolarHBondContact O-N 3.04Å; A229-V232 PolarHBondContact O-N 2.75Å; V232-T234 VanDerWaalsContact C-N 3.26Å; V232-T234 PolarHBondContact O-N 2.92Å; V232-C235 PolarHBondContact O-N 3.18Å; V232-S236 VanDerWaalsContact O-CB 3.25Å; V232-S236 WeakPolarHBondContact O-CB 3.45Å; V232-S236 PolarHBondContact O-N 2.89Å; V232-S236 PolarHBondContact O-OG 3.34Å; V232-S236 VanDerWaalsContact O-OG 3.1Å
233T93.8Very high93.4Very high50 Ų5048.4 Ų48.431%0.30727%0.266SS..Hα-helixtrans-57-41.1174.5-73.50000111.7Y203 A229 G237Y203-T233 WeakPolarHBondContact CE2-OG1 3.45Å; A229-T233 WeakPolarHBondContact O-CB 3.21Å; A229-T233 PolarHBondContact O-N 3.43Å; A229-T233 PolarHBondContact O-OG1 2.69Å; T233-G237 WeakPolarHBondContact O-CA 3.44Å; T233-G237 PolarHBondContact O-N 3.42Å
234T94.9Very high93.9Very high38 Ų3844.1 Ų44.123%0.23324%0.244CC..Hα-helixtrans-66.5-51178.5-61.50000111.2Q230 V231 V232 G237 I238 V288Q230-T234 WeakPolarHBondContact O-CB 3.36Å; Q230-T234 PolarHBondContact O-N 2.84Å; Q230-T234 PolarHBondContact O-OG1 3.46Å; V231-T234 WeakPolarHBondContact O-CB 3.45Å; V231-T234 PolarHBondContact O-N 3.25Å; V232-T234 VanDerWaalsContact C-N 3.26Å; V232-T234 PolarHBondContact O-N 2.92Å; T234-G237 PolarHBondContact O-N 2.68Å; T234-I238 HydrophobicContact CG2-CD1 3.99Å; T234-I238 WeakPolarHBondContact O-CG1 3.43Å; T234-I238 PolarHBondContact O-N 3.14Å; T234-V288 HydrophobicContact CG2-CG1 4Å; T234-V288 HydrophobicContact CG2-CG2 3.85Å
235C95.8Very high94.3Very high71 Ų7141.2 Ų41.248%0.4823%0.227SC..Hα-helixtrans-63.3-46.2-179.9-67.40000112.3V231 V232 G237 I238 L239V231-C235 PolarHBondContact O-N 2.87Å; V231-C235 PolarHBondContact O-SG 3.41Å; V231-C235 VanDerWaalsContact O-SG 3.35Å; V232-C235 PolarHBondContact O-N 3.18Å; C235-G237 VanDerWaalsContact C-N 3.28Å; C235-G237 PolarHBondContact O-N 3.24Å; C235-I238 PolarHBondContact O-N 3.37Å; C235-L239 WeakPolarHBondContact O-CB 3.48Å; C235-L239 PolarHBondContact O-N 2.93Å
236S97Very high94.9Very high2 Ų240.3 Ų40.31%0.01422%0.22CC..Hα-helixtrans-61.7-38.2173.8-67.30000112.2S202 Y203 V232 L239 S240S202-S236 VanDerWaalsContact C-OG 3.26Å; S202-S236 WeakPolarHBondContact OG-CA 3.48Å; S202-S236 WeakPolarHBondContact OG-CB 3.46Å; S202-S236 PolarHBondContact OG-OG 3.2Å; Y203-S236 WeakPolarHBondContact CA-OG 3.38Å; Y203-S236 PolarHBondContact N-OG 2.86Å; V232-S236 VanDerWaalsContact O-CB 3.25Å; V232-S236 WeakPolarHBondContact O-CB 3.45Å; V232-S236 PolarHBondContact O-N 2.89Å; V232-S236 PolarHBondContact O-OG 3.34Å; V232-S236 VanDerWaalsContact O-OG 3.1Å; S236-L239 PolarHBondContact O-N 2.95Å; S236-S240 WeakPolarHBondContact O-CB 3.1Å; S236-S240 PolarHBondContact O-N 3.41Å; S236-S240 PolarHBondContact O-OG 3.46Å
237G96.8Very high95.5Very high12 Ų1238 Ų3812%0.12421%0.209CC..Hα-helixtrans-61.9-44174.800000112.2T233 T234 C235 S240 Y241T233-G237 WeakPolarHBondContact O-CA 3.44Å; T233-G237 PolarHBondContact O-N 3.42Å; T234-G237 PolarHBondContact O-N 2.68Å; C235-G237 VanDerWaalsContact C-N 3.28Å; C235-G237 PolarHBondContact O-N 3.24Å; G237-S240 PolarHBondContact O-OG 2.92Å; G237-Y241 WeakPolarHBondContact O-CB 3.43Å; G237-Y241 PolarHBondContact O-N 3.17Å; G237-Y241 VanDerWaalsContact O-N 3.07Å
238I97.4Very high95.9Very high73 Ų7332.5 Ų32.537%0.37419%0.185SC..Hα-helixtrans-65.8-48.2176-68.7165.8000110.3T234 C235 S240 Y241 F281T234-I238 HydrophobicContact CG2-CD1 3.99Å; T234-I238 WeakPolarHBondContact O-CG1 3.43Å; T234-I238 PolarHBondContact O-N 3.14Å; C235-I238 PolarHBondContact O-N 3.37Å; I238-S240 VanDerWaalsContact C-N 3.32Å; I238-S240 PolarHBondContact O-N 3.31Å; I238-Y241 WeakPolarHBondContact O-CB 3.45Å; I238-Y241 PolarHBondContact O-N 3.25Å; I238-F281 HydrophobicContact CG2-CD1 4.29Å; I238-F281 HydrophobicContact CG2-CE1 4.02Å; I238-F281 WeakPolarHBondContact O-CE1 3.42Å
239L97.2Very high96.3Very high106 Ų10631.7 Ų31.756%0.55518%0.18SC*.Hα-helixtrans-60.9-40.3-178.4-17571.3000112.7C235 S236 Y241 P242C235-L239 WeakPolarHBondContact O-CB 3.48Å; C235-L239 PolarHBondContact O-N 2.93Å; S236-L239 PolarHBondContact O-N 2.95Å; L239-Y241 VanDerWaalsContact C-N 3.33Å; L239-P242 WeakPolarHBondContact O-CD 3.15Å
240S97.8Very high96.8Very high15 Ų1531.2 Ų31.211%0.10518%0.175CC..Hα-helixtrans-84.2-5.817859.70000113.7S236 G237 I238 P242 F243S236-S240 WeakPolarHBondContact O-CB 3.1Å; S236-S240 PolarHBondContact O-N 3.41Å; S236-S240 PolarHBondContact O-OG 3.46Å; G237-S240 PolarHBondContact O-OG 2.92Å; I238-S240 VanDerWaalsContact C-N 3.32Å; I238-S240 PolarHBondContact O-N 3.31Å; S240-P242 VanDerWaalsContact C-CD 3.47Å; S240-F243 WeakPolarHBondContact O-CB 3.36Å; S240-F243 PolarHBondContact O-N 2.91Å; S240-F243 VanDerWaalsContact O-N 3.11Å
241Y98.2Very high97.1Very high4 Ų429 Ų292%0.01617%0.165CC..Hα-helixtrans-59.7-37.2-174.5-156.5-98.2000114.6K45 Q49 G237 I238 L239 F243 D244 T245 F280 F281 R282 G283 A284 N287K45-Y241 WeakPolarHBondContact CE-OH 3.37Å; Q49-Y241 PolarHBondContact NE2-OH 3.02Å; G237-Y241 WeakPolarHBondContact O-CB 3.43Å; G237-Y241 PolarHBondContact O-N 3.17Å; G237-Y241 VanDerWaalsContact O-N 3.07Å; I238-Y241 WeakPolarHBondContact O-CB 3.45Å; I238-Y241 PolarHBondContact O-N 3.25Å; L239-Y241 VanDerWaalsContact C-N 3.33Å; Y241-F243 PolarHBondContact O-N 3.49Å; Y241-D244 PolarHBondContact O-N 2.93Å; Y241-T245 WeakPolarHBondContact CE1-OG1 3.39Å; Y241-T245 PolarHBondContact O-N 2.93Å; Y241-T245 PolarHBondContact O-OG1 3.01Å; Y241-F280 WeakPolarHBondContact CD1-O 3.48Å; Y241-F280 WeakPolarHBondContact CE1-O 3.35Å; Y241-F281 HydrophobicContact CD1-CD1 4.43Å; Y241-R282 WeakPolarHBondContact CE1-O 3.49Å; Y241-R282 PolarHBondContact OH-O 3.25Å; Y241-G283 PolarHBondContact OH-O 2.81Å; Y241-A284 HydrophobicContact CD1-CB 4Å; Y241-A284 HydrophobicContact CD2-CB 4.34Å; Y241-A284 HydrophobicContact CE1-CB 3.92Å; Y241-A284 HydrophobicContact CE2-CB 4.26Å; Y241-A284 HydrophobicContact CG-CB 4.22Å; Y241-A284 PolarHBondContact OH-N 3.33Å; Y241-N287 HydrophobicContact CE2-CB 3.66Å
242P98.6Very high97.4Very high20 Ų2024.9 Ų24.913%0.1314%0.139CC..Hα-helixtrans-55.1-36174.4-28.236.7000113.7L239 S240 T245 V246 F268 F280 F281L239-P242 WeakPolarHBondContact O-CD 3.15Å; S240-P242 VanDerWaalsContact C-CD 3.47Å; P242-T245 PolarHBondContact O-N 3.46Å; P242-V246 WeakPolarHBondContact O-CG2 3.21Å; P242-V246 PolarHBondContact O-N 3.48Å; P242-F268 HydrophobicContact CB-CE1 4.15Å; P242-F280 HydrophobicContact CB-CB 4.03Å; P242-F280 HydrophobicContact CB-CD1 3.84Å; P242-F280 HydrophobicContact CB-CG 4.1Å; P242-F280 HydrophobicContact CG-CB 4.09Å; P242-F281 HydrophobicContact CG-CE1 4.07Å; P242-F281 HydrophobicContact CG-CE2 4.33Å; P242-F281 HydrophobicContact CG-CZ 3.73Å
243F98.5Very high97.4Very high47 Ų4724.8 Ų24.821%0.20614%0.139CC..Hα-helixtrans-68.5-38.3175.9-64.4-97000112V191 Q194 V198 S240 Y241 R247 F268V191-F243 HydrophobicContact CG2-CB 4.14Å; V191-F243 HydrophobicContact CG2-CD1 3.84Å; V191-F243 HydrophobicContact CG2-CG 4.45Å; Q194-F243 HydrophobicContact CB-CD1 3.91Å; Q194-F243 HydrophobicContact CB-CE1 3.95Å; V198-F243 HydrophobicContact CB-CE2 4.28Å; V198-F243 HydrophobicContact CG1-CE2 4.11Å; V198-F243 HydrophobicContact CG2-CD2 4.37Å; V198-F243 HydrophobicContact CG2-CE1 4.3Å; V198-F243 HydrophobicContact CG2-CE2 3.77Å; V198-F243 HydrophobicContact CG2-CZ 3.73Å; S240-F243 WeakPolarHBondContact O-CB 3.36Å; S240-F243 PolarHBondContact O-N 2.91Å; S240-F243 VanDerWaalsContact O-N 3.11Å; Y241-F243 PolarHBondContact O-N 3.49Å; F243-R247 VanDerWaalsContact O-CB 3.24Å; F243-R247 WeakPolarHBondContact O-CB 3.2Å; F243-R247 PolarHBondContact O-N 2.89Å; F243-F268 HydrophobicContact CD1-CZ 4.03Å; F243-F268 HydrophobicContact CE1-CZ 4.25Å; F243-F268 HydrophobicContact CG-CZ 4.31Å
244D98.4Very high97.5Very high27 Ų2722.4 Ų22.414%0.14412%0.124CC..Hα-helixtrans-66-41.6172.9-174.155.1000110.5K45 Q49 Y241 R247 R248K45-D244 WeakPolarHBondContact CE-OD2 3.3Å; K45-D244 IonicContact NZ-OD2 2.73Å; K45-D244 PolarHBondContact NZ-OD2 3.37Å; Q49-D244 PolarHBondContact NE2-OD2 3.04Å; Y241-D244 PolarHBondContact O-N 2.93Å; D244-R247 WeakPolarHBondContact O-CB 3.35Å; D244-R247 PolarHBondContact O-N 3.45Å; D244-R248 WeakPolarHBondContact O-CG 3.31Å; D244-R248 PolarHBondContact O-N 3.38Å; D244-R248 IonicContact OD1-CZ 3.49Å; D244-R248 IonicContact OD1-NE 2.84Å; D244-R248 PolarHBondContact OD1-NE 2.89Å; D244-R248 IonicContact OD1-NH2 3.05Å; D244-R248 PolarHBondContact OD1-NH2 3.34Å; D244-R248 VanDerWaalsContact OD1-NH2 3.08Å
245T98.5Very high97.5Very high0 Ų022.3 Ų22.30%013%0.131CC..Hα-helixtrans-61.5-49.5177.1-63.40000111.6Q49 Y241 P242 R247 R248 R249 F280Q49-T245 HydrophobicContact CG-CG2 4Å; Q49-T245 WeakPolarHBondContact CG-OG1 3.47Å; Q49-T245 PolarHBondContact NE2-OG1 3.49Å; Y241-T245 WeakPolarHBondContact CE1-OG1 3.39Å; Y241-T245 PolarHBondContact O-N 2.93Å; Y241-T245 PolarHBondContact O-OG1 3.01Å; P242-T245 PolarHBondContact O-N 3.46Å; T245-R247 VanDerWaalsContact C-N 3.33Å; T245-R247 PolarHBondContact O-N 2.98Å; T245-R248 PolarHBondContact O-N 3.13Å; T245-R249 HydrophobicContact CG2-CG 4.1Å; T245-R249 WeakPolarHBondContact O-CB 3.26Å; T245-R249 WeakPolarHBondContact O-CG 3.43Å; T245-R249 PolarHBondContact O-N 3.41Å; T245-F280 WeakPolarHBondContact CB-O 3.37Å; T245-F280 PolarHBondContact OG1-O 2.94Å
246V98.6Very high97.4Very high0 Ų021 Ų210%012%0.117CC..Hα-helixtrans-61-42.1176171.60000111.5V191 P242 R248 R249 M250 T264 C267 F268 I271 F280V191-V246 HydrophobicContact CB-CG1 4.5Å; V191-V246 HydrophobicContact CG1-CG1 4.26Å; V191-V246 HydrophobicContact CG2-CB 4.19Å; V191-V246 HydrophobicContact CG2-CG1 4Å; P242-V246 WeakPolarHBondContact O-CG2 3.21Å; P242-V246 PolarHBondContact O-N 3.48Å; V246-R248 PolarHBondContact O-N 3.16Å; V246-R249 PolarHBondContact O-N 3.26Å; V246-M250 HydrophobicContact CG1-CG 4.26Å; V246-M250 HydrophobicContact CG1-SD 4.11Å; V246-M250 WeakPolarHBondContact O-CB 3.48Å; V246-M250 VanDerWaalsContact O-CG 3.3Å; V246-M250 WeakPolarHBondContact O-CG 3.22Å; V246-M250 PolarHBondContact O-N 3.05Å; V246-T264 HydrophobicContact CG1-CG2 4.08Å; V246-C267 HydrophobicContact CG1-CB 3.93Å; V246-F268 HydrophobicContact CB-CD2 4.42Å; V246-F268 HydrophobicContact CB-CE1 4.34Å; V246-F268 HydrophobicContact CB-CE2 4.04Å; V246-F268 HydrophobicContact CB-CZ 3.99Å; V246-F268 HydrophobicContact CG1-CD2 4.07Å; V246-F268 HydrophobicContact CG1-CE2 3.9Å; V246-F268 HydrophobicContact CG1-CZ 4.37Å; V246-F268 HydrophobicContact CG2-CD1 3.58Å; V246-F268 HydrophobicContact CG2-CD2 3.91Å; V246-F268 HydrophobicContact CG2-CE1 3.5Å; V246-F268 VanDerWaalsContact CG2-CE1 3.5Å; V246-F268 HydrophobicContact CG2-CE2 3.84Å; V246-F268 HydrophobicContact CG2-CG 3.77Å; V246-F268 HydrophobicContact CG2-CZ 3.64Å; V246-I271 HydrophobicContact CG2-CD1 4.12Å; V246-F280 HydrophobicContact CG2-CD1 4.34Å; V246-F280 HydrophobicContact CG2-CE1 3.81Å
247R98.6Very high97Very high26 Ų2626.2 Ų26.210%0.09816%0.161CC..Hα-helixtrans-51.7-54.9172.6172.8-169.7-175.1-179.54.2111.1D147 V191 S192 F243 D244 T245 M250 M251D147-R247 VanDerWaalsContact CB-NH2 3.34Å; D147-R247 VanDerWaalsContact CG-NH2 3.27Å; D147-R247 IonicContact OD2-CZ 3.59Å; D147-R247 IonicContact OD2-NH1 2.87Å; D147-R247 IonicContact OD2-NH2 2.75Å; D147-R247 PolarHBondContact OD2-NH2 3.03Å; V191-R247 HydrophobicContact CG1-CB 3.87Å; S192-R247 WeakPolarHBondContact OG-CD 3.32Å; S192-R247 VanDerWaalsContact OG-CG 3.22Å; S192-R247 WeakPolarHBondContact OG-CG 3.47Å; S192-R247 PolarHBondContact OG-NE 3.07Å; F243-R247 VanDerWaalsContact O-CB 3.24Å; F243-R247 WeakPolarHBondContact O-CB 3.2Å; F243-R247 PolarHBondContact O-N 2.89Å; D244-R247 WeakPolarHBondContact O-CB 3.35Å; D244-R247 PolarHBondContact O-N 3.45Å; T245-R247 VanDerWaalsContact C-N 3.33Å; T245-R247 PolarHBondContact O-N 2.98Å; R247-M250 PolarHBondContact O-N 3.13Å; R247-M251 HydrophobicContact CG-CE 3.95Å; R247-M251 WeakPolarHBondContact O-CG 3.19Å; R247-M251 PolarHBondContact O-N 3.29Å; R247-M251 VanDerWaalsContact O-N 3.08Å
248R98.5Very high96.7Very high15 Ų1534.1 Ų34.16%0.05719%0.192CC..Hα-helixtrans-67.5-38.8-176-56.8-49.2167.9164.3-2.5111.8V50 T151 D244 T245 V246 M250 M251 M252V50-R248 HydrophobicContact CG1-CB 3.42Å; V50-R248 VanDerWaalsContact CG1-CB 3.42Å; V50-R248 HydrophobicContact CG1-CG 4.44Å; T151-R248 HydrophobicContact CG2-CB 4.23Å; T151-R248 HydrophobicContact CG2-CG 4.33Å; T151-R248 PolarHBondContact OG1-NH1 2.94Å; D244-R248 WeakPolarHBondContact O-CG 3.31Å; D244-R248 PolarHBondContact O-N 3.38Å; D244-R248 IonicContact OD1-CZ 3.49Å; D244-R248 IonicContact OD1-NE 2.84Å; D244-R248 PolarHBondContact OD1-NE 2.89Å; D244-R248 IonicContact OD1-NH2 3.05Å; D244-R248 PolarHBondContact OD1-NH2 3.34Å; D244-R248 VanDerWaalsContact OD1-NH2 3.08Å; T245-R248 PolarHBondContact O-N 3.13Å; V246-R248 PolarHBondContact O-N 3.16Å; R248-M250 VanDerWaalsContact C-N 3.32Å; R248-M250 PolarHBondContact O-N 3.13Å; R248-M251 WeakPolarHBondContact O-CB 3.44Å; R248-M251 PolarHBondContact O-N 3Å; R248-M252 WeakPolarHBondContact O-CG 3.48Å; R248-M252 PolarHBondContact O-N 3.19Å
249R98.3Very high96.5Very high0 Ų036.6 Ų36.60%020%0.196CC..Hα-helixtrans-61.9-39.7175.4-67.5-80.9-17413514.9111.8Q49 A52 S53 T245 V246 M252 Y261 I271 E275 S279Q49-R249 PolarHBondContact O-NE 2.94Å; Q49-R249 PolarHBondContact O-NH2 3.21Å; A52-R249 VanDerWaalsContact C-NH1 3.26Å; S53-R249 VanDerWaalsContact N-NH1 3.17Å; S53-R249 WeakPolarHBondContact OG-CD 3.16Å; S53-R249 PolarHBondContact OG-NH1 2.91Å; S53-R249 VanDerWaalsContact OG-NH1 3.07Å; T245-R249 HydrophobicContact CG2-CG 4.1Å; T245-R249 WeakPolarHBondContact O-CB 3.26Å; T245-R249 WeakPolarHBondContact O-CG 3.43Å; T245-R249 PolarHBondContact O-N 3.41Å; V246-R249 PolarHBondContact O-N 3.26Å; R249-M252 WeakPolarHBondContact O-CB 3.35Å; R249-M252 PolarHBondContact O-N 2.94Å; R249-Y261 HydrophobicContact CB-CE2 4.14Å; R249-I271 HydrophobicContact CB-CD1 4.32Å; R249-I271 HydrophobicContact CG-CD1 3.98Å; R249-E275 IonicContact CZ-OE1 2.79Å; R249-E275 IonicContact CZ-OE2 3.88Å; R249-E275 IonicContact NH1-OE1 3.41Å; R249-E275 PolarHBondContact NH1-OE1 3.4Å; R249-E275 IonicContact NH1-OE2 3.51Å; R249-E275 IonicContact NH2-OE1 2.79Å; R249-E275 IonicContact NH2-OE2 3.09Å; R249-E275 PolarHBondContact NH2-OE2 3.48Å; R249-S279 PolarHBondContact NH2-OG 3.13Å
250M98.2Very high96.4Very high12 Ų1233.4 Ų33.46%0.05918%0.179CC..Hα-helixtrans-66.2-36.3173.1-75.1-174.967.900113.1Q187 V191 V246 R247 R248 M252 Q253 T264 C267Q187-M250 WeakPolarHBondContact CB-O 3.42Å; V191-M250 HydrophobicContact CG1-SD 4.07Å; V246-M250 HydrophobicContact CG1-CG 4.26Å; V246-M250 HydrophobicContact CG1-SD 4.11Å; V246-M250 WeakPolarHBondContact O-CB 3.48Å; V246-M250 VanDerWaalsContact O-CG 3.3Å; V246-M250 WeakPolarHBondContact O-CG 3.22Å; V246-M250 PolarHBondContact O-N 3.05Å; R247-M250 PolarHBondContact O-N 3.13Å; R248-M250 VanDerWaalsContact C-N 3.32Å; R248-M250 PolarHBondContact O-N 3.13Å; M250-M252 PolarHBondContact O-N 2.8Å; M250-Q253 VanDerWaalsContact O-CG 3.24Å; M250-Q253 WeakPolarHBondContact O-CG 3.22Å; M250-Q253 PolarHBondContact O-N 2.89Å; M250-Q253 PolarHBondContact O-NE2 2.87Å; M250-T264 PolarHBondContact SD-OG1 3.01Å; M250-C267 HydrophobicContact CG-CB 4.32Å
251M98.2Very high96.3Very high0 Ų033.2 Ų33.20%018%0.176CC..Hα-helixtrans-62.6-32174.9-66.5173.1167.500112.1Y144 F148 T151 Q187 R247 R248 Q253 S254Y144-M251 HydrophobicContact CD1-CE 4.42Å; Y144-M251 HydrophobicContact CE1-CE 3.53Å; Y144-M251 HydrophobicContact CE2-CE 4.24Å; Y144-M251 VanDerWaalsContact CZ-CE 3.42Å; Y144-M251 WeakPolarHBondContact OH-CE 3.4Å; F148-M251 HydrophobicContact CB-CE 4.42Å; F148-M251 HydrophobicContact CD2-CB 3.9Å; F148-M251 HydrophobicContact CD2-CG 3.81Å; F148-M251 HydrophobicContact CE2-CB 3.92Å; F148-M251 HydrophobicContact CE2-CG 4.3Å; F148-M251 WeakPolarHBondContact CE2-O 3.33Å; T151-M251 HydrophobicContact CG2-SD 3.87Å; T151-M251 PolarHBondContact OG1-SD 3.29Å; T151-M251 VanDerWaalsContact OG1-SD 3.39Å; Q187-M251 WeakPolarHBondContact O-CG 3.35Å; R247-M251 HydrophobicContact CG-CE 3.95Å; R247-M251 WeakPolarHBondContact O-CG 3.19Å; R247-M251 PolarHBondContact O-N 3.29Å; R247-M251 VanDerWaalsContact O-N 3.08Å; R248-M251 WeakPolarHBondContact O-CB 3.44Å; R248-M251 PolarHBondContact O-N 3Å; M251-Q253 PolarHBondContact O-N 3.33Å; M251-S254 PolarHBondContact O-N 3.18Å
252M97.4Very high96.1Very high2 Ų242.1 Ų42.11%0.0122%0.215CC..THydrogen-bonded Turntrans-67.7-18.5-177.1-67.6-54.6-73.300114.6V50 R152 V155 R248 R249 M250 S254 E256V50-M252 HydrophobicContact CB-CG 3.88Å; V50-M252 HydrophobicContact CB-SD 4.43Å; V50-M252 HydrophobicContact CG1-CG 4.33Å; V50-M252 HydrophobicContact CG2-CE 4.11Å; V50-M252 HydrophobicContact CG2-CG 4.04Å; V50-M252 HydrophobicContact CG2-SD 3.96Å; R152-M252 PolarHBondContact NH1-SD 3.5Å; R152-M252 VanDerWaalsContact NH1-SD 3.38Å; V155-M252 HydrophobicContact CG2-CE 3.57Å; V155-M252 HydrophobicContact CG2-SD 3.39Å; V155-M252 WeakPolarHBondContact CG2-SD 3.44Å; R248-M252 WeakPolarHBondContact O-CG 3.48Å; R248-M252 PolarHBondContact O-N 3.19Å; R249-M252 WeakPolarHBondContact O-CB 3.35Å; R249-M252 PolarHBondContact O-N 2.94Å; M250-M252 PolarHBondContact O-N 2.8Å; M252-S254 VanDerWaalsContact C-N 3.3Å; M252-E256 WeakPolarHBondContact O-CG 3.49Å
253Q95.6Very high96Very high1 Ų142.3 Ų42.31%0.00522%0.22CC..THydrogen-bonded Turntrans-82.7-9.6-179.481.5-158.8-48.800113.2M250 M251 E256 Y261M250-Q253 VanDerWaalsContact O-CG 3.24Å; M250-Q253 WeakPolarHBondContact O-CG 3.22Å; M250-Q253 PolarHBondContact O-N 2.89Å; M250-Q253 PolarHBondContact O-NE2 2.87Å; M251-Q253 PolarHBondContact O-N 3.33Å; Q253-E256 PolarHBondContact O-N 3.27Å; Q253-Y261 PolarHBondContact OE1-O 3.04Å
254S95.8Very high95.9Very high0 Ų041.7 Ų41.70%022%0.22CC..THydrogen-bonded Turntrans-81.4137.2-179.8-93.30000112.7R152 I176 D180 G184 Q187 M251 M252 E256R152-S254 PolarHBondContact NH2-O 3.27Å; I176-S254 WeakPolarHBondContact CD1-O 3.25Å; D180-S254 WeakPolarHBondContact OD2-CA 3.44Å; D180-S254 WeakPolarHBondContact OD2-CB 3.06Å; D180-S254 PolarHBondContact OD2-OG 3.48Å; G184-S254 WeakPolarHBondContact CA-OG 3.44Å; G184-S254 PolarHBondContact O-OG 3.27Å; G184-S254 VanDerWaalsContact O-OG 3.06Å; Q187-S254 WeakPolarHBondContact CG-OG 3.49Å; M251-S254 PolarHBondContact O-N 3.18Å; M252-S254 VanDerWaalsContact C-N 3.3Å; S254-E256 VanDerWaalsContact C-N 3.26Å
255G94.1Very high95.9Very high36 Ų3647 Ų4737%0.37125%0.248SC..THydrogen-bonded Turntrans794.5-169.400000114.3D180D180-G255 WeakPolarHBondContact OD1-CA 3.49Å; D180-G255 PolarHBondContact OD1-N 2.89Å; D180-G255 PolarHBondContact OD2-N 3.4Å
256E93.2Very high95.9Very high42 Ų4249 Ų4920%0.19626%0.259CS..  trans-102.7136.5-179.6-54-65.2150.600110.3R152 Q165 M252 Q253 S254 K258R152-E256 IonicContact NH2-OE1 3.2Å; R152-E256 PolarHBondContact NH2-OE1 2.97Å; Q165-E256 PolarHBondContact NE2-OE1 3.47Å; M252-E256 WeakPolarHBondContact O-CG 3.49Å; Q253-E256 PolarHBondContact O-N 3.27Å; S254-E256 VanDerWaalsContact C-N 3.26Å; E256-K258 PolarHBondContact O-N 3.16Å
257A89.3Confident95.9Very high112 Ų11249 Ų4993%0.92626%0.259SS*.SBendtrans-62.9-28.3-176.900000114
258K91.3Very high95.9Very high178 Ų17850 Ų5077%0.77426%0.264SS*.SBendtrans-122.1121.1178.1-66.6-173.4-179.3-179.20110.5E256E256-K258 PolarHBondContact O-N 3.16Å
259R92.5Very high95.9Very high125 Ų12552.7 Ų52.747%0.47228%0.282SS..  trans-71.3131.9176.3-60.9-174.167.798.50.7111
260Q93.9Very high95.9Very high39 Ų3955.5 Ų55.518%0.18229%0.294CS..SBendtrans-77.9-31176.1-62.317813.800111.7S53 K270S53-Q260 PolarHBondContact O-NE2 3.46Å; S53-Q260 PolarHBondContact OG-OE1 3.36Å; S53-Q260 VanDerWaalsContact OG-OE1 3.06Å; Q260-K270 PolarHBondContact O-NZ 3.15Å
261Y96.4Very high95.9Very high12 Ų1254.9 Ų54.95%0.04729%0.291CS..  trans-129.4138.5-173.7-48-67.9000111.1S53 R249 Q253 G263 D266 C267 K270S53-Y261 PolarHBondContact OG-OH 2.97Å; R249-Y261 HydrophobicContact CB-CE2 4.14Å; Q253-Y261 PolarHBondContact OE1-O 3.04Å; Y261-G263 VanDerWaalsContact C-N 3.34Å; Y261-D266 VanDerWaalsContact CA-OD2 3.29Å; Y261-D266 WeakPolarHBondContact CA-OD2 3.34Å; Y261-C267 VanDerWaalsContact CD1-CA 3.46Å; Y261-C267 HydrophobicContact CD1-CB 3.73Å; Y261-C267 HydrophobicContact CD2-CB 4.19Å; Y261-C267 HydrophobicContact CE1-CB 4.25Å; Y261-C267 HydrophobicContact CG-CB 3.69Å; Y261-K270 HydrophobicContact CD1-CB 4.42Å; Y261-K270 HydrophobicContact CD1-CD 3.93Å; Y261-K270 HydrophobicContact CE1-CB 4.16Å; Y261-K270 HydrophobicContact CE1-CD 4.27Å
262K94.9Very high95.9Very high191 Ų19161.9 Ų61.983%0.8332%0.318SS*.SBendtrans-76.2-25.9174.1-63.9-178.1179.2179.90111.9D266K262-D266 HydrophobicContact CB-CB 4.12Å; K262-D266 PolarHBondContact N-OD2 2.86Å
263G95.4Very high95.9Very high24 Ų2468.1 Ų68.125%0.24735%0.348CS..SBendtrans179.2-172.5179.400000111.8Y261 L265 D266 C267Y261-G263 VanDerWaalsContact C-N 3.34Å; G263-L265 PolarHBondContact O-N 3.33Å; G263-D266 PolarHBondContact O-N 3.4Å; G263-C267 WeakPolarHBondContact O-CB 3.45Å; G263-C267 PolarHBondContact O-N 2.86Å
264T97.2Very high95.9Very high34 Ų3475.2 Ų75.221%0.20938%0.38CS..Hα-helixtrans-57.6-49.2-178.1-57.60000112.7V191 V246 M250 C267 F268V191-T264 HydrophobicContact CB-CG2 3.63Å; V191-T264 HydrophobicContact CG1-CG2 4.46Å; V191-T264 HydrophobicContact CG2-CG2 3.79Å; V246-T264 HydrophobicContact CG1-CG2 4.08Å; M250-T264 PolarHBondContact SD-OG1 3.01Å; T264-C267 WeakPolarHBondContact O-CB 3.36Å; T264-C267 PolarHBondContact O-N 3Å; T264-F268 HydrophobicContact CG2-CD2 3.9Å; T264-F268 HydrophobicContact CG2-CE2 3.73Å; T264-F268 WeakPolarHBondContact O-CD2 3.41Å; T264-F268 PolarHBondContact O-N 2.71Å
265L98Very high96Very high138 Ų13878.4 Ų78.472%0.72340%0.395SS*.Hα-helixtrans-65.3-44.7-177.9-67176.5000111.6G263 C267 F268 V269G263-L265 PolarHBondContact O-N 3.33Å; L265-C267 PolarHBondContact O-N 3.44Å; L265-F268 PolarHBondContact O-N 3.16Å; L265-V269 WeakPolarHBondContact O-CG2 3.29Å; L265-V269 PolarHBondContact O-N 2.99Å
266D98.2Very high96.1Very high43 Ų4378 Ų7823%0.2339%0.391CS..Hα-helixtrans-58.7-37.1173.9-178.964.9000111.6Y261 K262 G263 K270Y261-D266 VanDerWaalsContact CA-OD2 3.29Å; Y261-D266 WeakPolarHBondContact CA-OD2 3.34Å; K262-D266 HydrophobicContact CB-CB 4.12Å; K262-D266 PolarHBondContact N-OD2 2.86Å; G263-D266 PolarHBondContact O-N 3.4Å; D266-K270 VanDerWaalsContact O-CB 3.29Å; D266-K270 WeakPolarHBondContact O-CB 3.29Å; D266-K270 WeakPolarHBondContact O-CG 3.35Å; D266-K270 PolarHBondContact O-N 2.85Å; D266-K270 VanDerWaalsContact OD1-CE 3.25Å; D266-K270 WeakPolarHBondContact OD1-CE 3.4Å; D266-K270 IonicContact OD1-NZ 2.81Å; D266-K270 PolarHBondContact OD1-NZ 3.39Å; D266-K270 WeakPolarHBondContact OD2-CE 3.32Å; D266-K270 IonicContact OD2-NZ 2.68Å; D266-K270 PolarHBondContact OD2-NZ 2.95Å
267C98.4Very high96.3Very high0 Ų080.3 Ų80.30%040%0.404CS..Hα-helixtrans-64.8-46.7174.6-169.20000112.5V246 M250 Y261 G263 T264 L265 I271V246-C267 HydrophobicContact CG1-CB 3.93Å; M250-C267 HydrophobicContact CG-CB 4.32Å; Y261-C267 VanDerWaalsContact CD1-CA 3.46Å; Y261-C267 HydrophobicContact CD1-CB 3.73Å; Y261-C267 HydrophobicContact CD2-CB 4.19Å; Y261-C267 HydrophobicContact CE1-CB 4.25Å; Y261-C267 HydrophobicContact CG-CB 3.69Å; G263-C267 WeakPolarHBondContact O-CB 3.45Å; G263-C267 PolarHBondContact O-N 2.86Å; T264-C267 WeakPolarHBondContact O-CB 3.36Å; T264-C267 PolarHBondContact O-N 3Å; L265-C267 PolarHBondContact O-N 3.44Å; C267-I271 WeakPolarHBondContact O-CB 3.35Å; C267-I271 VanDerWaalsContact O-CG1 3.23Å; C267-I271 WeakPolarHBondContact O-CG1 3.22Å; C267-I271 PolarHBondContact O-N 3.06Å
268F98.5Very high96.6Very high47 Ų4781.2 Ų81.221%0.20639%0.393CS..Hα-helixtrans-57.4-51.3173.5-86-74.1000111.7V191 P242 F243 V246 T264 L265 K270 I271 Y272 F280V191-F268 HydrophobicContact CG2-CE2 3.92Å; V191-F268 HydrophobicContact CG2-CZ 4.18Å; P242-F268 HydrophobicContact CB-CE1 4.15Å; F243-F268 HydrophobicContact CD1-CZ 4.03Å; F243-F268 HydrophobicContact CE1-CZ 4.25Å; F243-F268 HydrophobicContact CG-CZ 4.31Å; V246-F268 HydrophobicContact CB-CD2 4.42Å; V246-F268 HydrophobicContact CB-CE1 4.34Å; V246-F268 HydrophobicContact CB-CE2 4.04Å; V246-F268 HydrophobicContact CB-CZ 3.99Å; V246-F268 HydrophobicContact CG1-CD2 4.07Å; V246-F268 HydrophobicContact CG1-CE2 3.9Å; V246-F268 HydrophobicContact CG1-CZ 4.37Å; V246-F268 HydrophobicContact CG2-CD1 3.58Å; V246-F268 HydrophobicContact CG2-CD2 3.91Å; V246-F268 HydrophobicContact CG2-CE1 3.5Å; V246-F268 VanDerWaalsContact CG2-CE1 3.5Å; V246-F268 HydrophobicContact CG2-CE2 3.84Å; V246-F268 HydrophobicContact CG2-CG 3.77Å; V246-F268 HydrophobicContact CG2-CZ 3.64Å; T264-F268 HydrophobicContact CG2-CD2 3.9Å; T264-F268 HydrophobicContact CG2-CE2 3.73Å; T264-F268 WeakPolarHBondContact O-CD2 3.41Å; T264-F268 PolarHBondContact O-N 2.71Å; L265-F268 PolarHBondContact O-N 3.16Å; F268-K270 PolarHBondContact O-N 3.11Å; F268-I271 PolarHBondContact O-N 2.89Å; F268-Y272 WeakPolarHBondContact O-CB 3.36Å; F268-Y272 PolarHBondContact O-N 3.01Å; F268-F280 HydrophobicContact CD1-CD1 4.47Å; F268-F280 AromaticContact CD1-CE1 3.55Å; F268-F280 HydrophobicContact CD1-CE1 3.55Å; F268-F280 AromaticContact CD1-CZ 3.93Å; F268-F280 HydrophobicContact CD1-CZ 3.93Å; F268-F280 AromaticContact CE1-CE1 3.98Å; F268-F280 HydrophobicContact CE1-CE1 3.98Å; F268-F280 WeakPolarHBondContact O-CZ 3.43Å
269V98.5Very high96.9Very high71 Ų7172.9 Ų72.943%0.4336%0.357SS..Hα-helixtrans-61.5-48.5-176.5172.60000110.9L265 I271 Y272 Q273L265-V269 WeakPolarHBondContact O-CG2 3.29Å; L265-V269 PolarHBondContact O-N 2.99Å; V269-I271 PolarHBondContact O-N 3.2Å; V269-Y272 PolarHBondContact O-N 3Å; V269-Q273 VanDerWaalsContact CG1-CD 3.5Å; V269-Q273 HydrophobicContact CG1-CG 4.2Å; V269-Q273 WeakPolarHBondContact O-CB 3.44Å; V269-Q273 WeakPolarHBondContact O-CG 3.28Å; V269-Q273 PolarHBondContact O-N 3.48Å
270K98.3Very high97.2Very high58 Ų5867.3 Ų67.325%0.25234%0.336SS..Hα-helixtrans-64.6-40.7-179.9-78.9172.8172.1165.70113.3Q260 Y261 D266 F268 Y272 H274Q260-K270 PolarHBondContact O-NZ 3.15Å; Y261-K270 HydrophobicContact CD1-CB 4.42Å; Y261-K270 HydrophobicContact CD1-CD 3.93Å; Y261-K270 HydrophobicContact CE1-CB 4.16Å; Y261-K270 HydrophobicContact CE1-CD 4.27Å; D266-K270 VanDerWaalsContact O-CB 3.29Å; D266-K270 WeakPolarHBondContact O-CB 3.29Å; D266-K270 WeakPolarHBondContact O-CG 3.35Å; D266-K270 PolarHBondContact O-N 2.85Å; D266-K270 VanDerWaalsContact OD1-CE 3.25Å; D266-K270 WeakPolarHBondContact OD1-CE 3.4Å; D266-K270 IonicContact OD1-NZ 2.81Å; D266-K270 PolarHBondContact OD1-NZ 3.39Å; D266-K270 WeakPolarHBondContact OD2-CE 3.32Å; D266-K270 IonicContact OD2-NZ 2.68Å; D266-K270 PolarHBondContact OD2-NZ 2.95Å; F268-K270 PolarHBondContact O-N 3.11Å; K270-Y272 VanDerWaalsContact C-N 3.33Å; K270-H274 VanDerWaalsContact O-CB 3.32Å; K270-H274 WeakPolarHBondContact O-CB 3.27Å; K270-H274 PolarHBondContact O-CD2 3.49Å; K270-H274 VanDerWaalsContact O-CD2 3.29Å; K270-H274 PolarHBondContact O-N 3.15Å
271I98.1Very high97.4Very high0 Ų068.8 Ų68.80%034%0.342CS..Hα-helixtrans-62-46.6175.8-69.1169.6000109.4V246 R249 C267 F268 V269 E275 G276 F280V246-I271 HydrophobicContact CG2-CD1 4.12Å; R249-I271 HydrophobicContact CB-CD1 4.32Å; R249-I271 HydrophobicContact CG-CD1 3.98Å; C267-I271 WeakPolarHBondContact O-CB 3.35Å; C267-I271 VanDerWaalsContact O-CG1 3.23Å; C267-I271 WeakPolarHBondContact O-CG1 3.22Å; C267-I271 PolarHBondContact O-N 3.06Å; F268-I271 PolarHBondContact O-N 2.89Å; V269-I271 PolarHBondContact O-N 3.2Å; I271-E275 CarbonylContact O-C 3.56Å; I271-E275 WeakPolarHBondContact O-CA 3.4Å; I271-E275 WeakPolarHBondContact O-CB 3.08Å; I271-E275 PolarHBondContact O-N 3.19Å; I271-G276 PolarHBondContact O-N 2.84Å; I271-G276 VanDerWaalsContact O-N 3.14Å; I271-F280 HydrophobicContact CB-CE1 3.96Å; I271-F280 HydrophobicContact CB-CE2 4.27Å; I271-F280 HydrophobicContact CB-CZ 3.7Å; I271-F280 HydrophobicContact CD1-CE1 4.17Å; I271-F280 HydrophobicContact CG2-CD1 4.05Å; I271-F280 HydrophobicContact CG2-CD2 4.03Å; I271-F280 HydrophobicContact CG2-CE1 3.7Å; I271-F280 HydrophobicContact CG2-CE2 3.69Å; I271-F280 HydrophobicContact CG2-CG 4.21Å; I271-F280 HydrophobicContact CG2-CZ 3.52Å
272Y98.2Very high97.4Very high146 Ų14673.5 Ų73.557%0.57336%0.36SS*.Hα-helixtrans-62.6-47.4179.5-178.9-103.9000112.4F268 V269 K270 G276 I277 F280F268-Y272 WeakPolarHBondContact O-CB 3.36Å; F268-Y272 PolarHBondContact O-N 3.01Å; V269-Y272 PolarHBondContact O-N 3Å; K270-Y272 VanDerWaalsContact C-N 3.33Å; Y272-G276 VanDerWaalsContact O-CA 3.25Å; Y272-G276 WeakPolarHBondContact O-CA 3.25Å; Y272-G276 PolarHBondContact O-N 2.97Å; Y272-G276 VanDerWaalsContact O-N 3.12Å; Y272-I277 HydrophobicContact CD2-CB 4.48Å; Y272-I277 HydrophobicContact CD2-CD1 4.43Å; Y272-I277 HydrophobicContact CE2-CB 4.35Å; Y272-F280 HydrophobicContact CD2-CE2 4.49Å
273Q97.9Very high97.5Very high134 Ų13464.8 Ų64.863%0.62633%0.325SS*.Hα-helixtrans-71.3-38.4-176.2-72.5178-20.200113.5V269V269-Q273 VanDerWaalsContact CG1-CD 3.5Å; V269-Q273 HydrophobicContact CG1-CG 4.2Å; V269-Q273 WeakPolarHBondContact O-CB 3.44Å; V269-Q273 WeakPolarHBondContact O-CG 3.28Å; V269-Q273 PolarHBondContact O-N 3.48Å
274H96.8Very high97.6Very high149 Ų14964.3 Ų64.369%0.6932%0.319SS*.Hα-helixtrans-98.7-27.8-174.4-61-54.4000114.3K270K270-H274 VanDerWaalsContact O-CB 3.32Å; K270-H274 WeakPolarHBondContact O-CB 3.27Å; K270-H274 PolarHBondContact O-CD2 3.49Å; K270-H274 VanDerWaalsContact O-CD2 3.29Å; K270-H274 PolarHBondContact O-N 3.15Å
275E95.9Very high97.6Very high67 Ų6769 Ų6931%0.31334%0.337SS..Hα-helixtrans-117.6-13.3-175-50.6-176.6-144.600113.1A52 R249 I271 S279A52-E275 WeakPolarHBondContact CB-OE2 3.32Å; R249-E275 IonicContact CZ-OE1 2.79Å; R249-E275 IonicContact CZ-OE2 3.88Å; R249-E275 IonicContact NH1-OE1 3.41Å; R249-E275 PolarHBondContact NH1-OE1 3.4Å; R249-E275 IonicContact NH1-OE2 3.51Å; R249-E275 IonicContact NH2-OE1 2.79Å; R249-E275 IonicContact NH2-OE2 3.09Å; R249-E275 PolarHBondContact NH2-OE2 3.48Å; I271-E275 CarbonylContact O-C 3.56Å; I271-E275 WeakPolarHBondContact O-CA 3.4Å; I271-E275 WeakPolarHBondContact O-CB 3.08Å; I271-E275 PolarHBondContact O-N 3.19Å; E275-S279 VanDerWaalsContact CB-CB 3.46Å; E275-S279 WeakPolarHBondContact OE2-CB 3.11Å; E275-S279 PolarHBondContact OE2-OG 3.25Å
276G97.1Very high97.5Very high28 Ų2862.6 Ų62.629%0.28930%0.303SS..  trans77.1171.4-17800000114.4I271 Y272 N278 S279I271-G276 PolarHBondContact O-N 2.84Å; I271-G276 VanDerWaalsContact O-N 3.14Å; Y272-G276 VanDerWaalsContact O-CA 3.25Å; Y272-G276 WeakPolarHBondContact O-CA 3.25Å; Y272-G276 PolarHBondContact O-N 2.97Å; Y272-G276 VanDerWaalsContact O-N 3.12Å; G276-N278 PolarHBondContact O-N 3.46Å; G276-S279 WeakPolarHBondContact O-CB 2.97Å; G276-S279 PolarHBondContact O-N 2.83Å; G276-S279 VanDerWaalsContact O-N 3.16Å
277I97.1Very high97.4Very high91 Ų9161.8 Ų61.847%0.46730%0.298SS..G310 helixtrans-59.8-33.1-175.8-168.362.5000113.1Y272 S279 F280 F281Y272-I277 HydrophobicContact CD2-CB 4.48Å; Y272-I277 HydrophobicContact CD2-CD1 4.43Å; Y272-I277 HydrophobicContact CE2-CB 4.35Å; I277-S279 PolarHBondContact O-N 3.46Å; I277-F280 HydrophobicContact CD1-CD2 3.97Å; I277-F280 HydrophobicContact CD1-CE2 4.4Å; I277-F280 WeakPolarHBondContact O-CD2 3.37Å; I277-F280 PolarHBondContact O-N 2.9Å; I277-F281 HydrophobicContact CD1-CE2 4.4Å; I277-F281 HydrophobicContact CG1-CE2 4.26Å; I277-F281 WeakPolarHBondContact O-CD2 3.38Å
278N96.6Very high97.3Very high130 Ų13063.5 Ų63.570%0.69531%0.309SS*.G310 helixtrans-64.1-25.8-178.9-69.5-23.9000112.9G276 F280 F281 R282G276-N278 PolarHBondContact O-N 3.46Å; N278-F280 VanDerWaalsContact C-N 3.26Å; N278-F280 PolarHBondContact O-N 3Å; N278-F281 PolarHBondContact O-N 2.87Å; N278-F281 VanDerWaalsContact O-N 3.14Å; N278-R282 PolarHBondContact O-N 2.96Å
279S97Very high97.2Very high3 Ų364.6 Ų64.62%0.02132%0.316CS..G310 helixtrans-63.5-34.6178.8-174.90000112.3R249 E275 G276 I277 F281 R282R249-S279 PolarHBondContact NH2-OG 3.13Å; E275-S279 VanDerWaalsContact CB-CB 3.46Å; E275-S279 WeakPolarHBondContact OE2-CB 3.11Å; E275-S279 PolarHBondContact OE2-OG 3.25Å; G276-S279 WeakPolarHBondContact O-CB 2.97Å; G276-S279 PolarHBondContact O-N 2.83Å; G276-S279 VanDerWaalsContact O-N 3.16Å; I277-S279 PolarHBondContact O-N 3.46Å; S279-F281 PolarHBondContact O-N 2.82Å; S279-F281 VanDerWaalsContact O-N 3.14Å; S279-R282 PolarHBondContact O-N 2.99Å
280F98.2Very high96.9Very high8 Ų864 Ų644%0.03531%0.307CS..G310 helixtrans-59.6-28.5176.6-69.2-76.1000112.8Y241 P242 T245 V246 F268 I271 Y272 I277 N278Y241-F280 WeakPolarHBondContact CD1-O 3.48Å; Y241-F280 WeakPolarHBondContact CE1-O 3.35Å; P242-F280 HydrophobicContact CB-CB 4.03Å; P242-F280 HydrophobicContact CB-CD1 3.84Å; P242-F280 HydrophobicContact CB-CG 4.1Å; P242-F280 HydrophobicContact CG-CB 4.09Å; T245-F280 WeakPolarHBondContact CB-O 3.37Å; T245-F280 PolarHBondContact OG1-O 2.94Å; V246-F280 HydrophobicContact CG2-CD1 4.34Å; V246-F280 HydrophobicContact CG2-CE1 3.81Å; F268-F280 HydrophobicContact CD1-CD1 4.47Å; F268-F280 AromaticContact CD1-CE1 3.55Å; F268-F280 HydrophobicContact CD1-CE1 3.55Å; F268-F280 AromaticContact CD1-CZ 3.93Å; F268-F280 HydrophobicContact CD1-CZ 3.93Å; F268-F280 AromaticContact CE1-CE1 3.98Å; F268-F280 HydrophobicContact CE1-CE1 3.98Å; F268-F280 WeakPolarHBondContact O-CZ 3.43Å; I271-F280 HydrophobicContact CB-CE1 3.96Å; I271-F280 HydrophobicContact CB-CE2 4.27Å; I271-F280 HydrophobicContact CB-CZ 3.7Å; I271-F280 HydrophobicContact CD1-CE1 4.17Å; I271-F280 HydrophobicContact CG2-CD1 4.05Å; I271-F280 HydrophobicContact CG2-CD2 4.03Å; I271-F280 HydrophobicContact CG2-CE1 3.7Å; I271-F280 HydrophobicContact CG2-CE2 3.69Å; I271-F280 HydrophobicContact CG2-CG 4.21Å; I271-F280 HydrophobicContact CG2-CZ 3.52Å; Y272-F280 HydrophobicContact CD2-CE2 4.49Å; I277-F280 HydrophobicContact CD1-CD2 3.97Å; I277-F280 HydrophobicContact CD1-CE2 4.4Å; I277-F280 WeakPolarHBondContact O-CD2 3.37Å; I277-F280 PolarHBondContact O-N 2.9Å; N278-F280 VanDerWaalsContact C-N 3.26Å; N278-F280 PolarHBondContact O-N 3Å
281F98.3Very high96.6Very high70 Ų7063.1 Ų63.131%0.30731%0.314SS..G310 helixtrans-103.15.8-174.1-59.6-84.8000113.9I238 Y241 P242 I277 N278 S279 G283 A284I238-F281 HydrophobicContact CG2-CD1 4.29Å; I238-F281 HydrophobicContact CG2-CE1 4.02Å; I238-F281 WeakPolarHBondContact O-CE1 3.42Å; Y241-F281 HydrophobicContact CD1-CD1 4.43Å; P242-F281 HydrophobicContact CG-CE1 4.07Å; P242-F281 HydrophobicContact CG-CE2 4.33Å; P242-F281 HydrophobicContact CG-CZ 3.73Å; I277-F281 HydrophobicContact CD1-CE2 4.4Å; I277-F281 HydrophobicContact CG1-CE2 4.26Å; I277-F281 WeakPolarHBondContact O-CD2 3.38Å; N278-F281 PolarHBondContact O-N 2.87Å; N278-F281 VanDerWaalsContact O-N 3.14Å; S279-F281 PolarHBondContact O-N 2.82Å; S279-F281 VanDerWaalsContact O-N 3.14Å; F281-G283 PolarHBondContact O-N 3.43Å; F281-A284 HydrophobicContact CB-CB 4.32Å; F281-A284 WeakPolarHBondContact O-CB 3.47Å; F281-A284 PolarHBondContact O-N 3.35Å
282R97Very high96.2Very high111 Ų11166.4 Ų66.442%0.41933%0.334SS..THydrogen-bonded Turntrans-60.9126.1174.9-77.7-173.8170.3-114.1-2.5110.6L48 Y241 N278 S279 A284L48-R282 WeakPolarHBondContact O-CB 3.41Å; Y241-R282 WeakPolarHBondContact CE1-O 3.49Å; Y241-R282 PolarHBondContact OH-O 3.25Å; N278-R282 PolarHBondContact O-N 2.96Å; S279-R282 PolarHBondContact O-N 2.99Å; R282-A284 VanDerWaalsContact C-N 3.34Å
283G97.1Very high95.8Very high9 Ų960.5 Ų60.59%0.09332%0.318CS..THydrogen-bonded Turntrans83.3-0.9-174.600000115.1Y241 F281 F285 S286 N287Y241-G283 PolarHBondContact OH-O 2.81Å; F281-G283 PolarHBondContact O-N 3.43Å; G283-F285 VanDerWaalsContact C-N 3.31Å; G283-F285 PolarHBondContact O-N 2.85Å; G283-S286 WeakPolarHBondContact O-CA 3.41Å; G283-S286 WeakPolarHBondContact O-CB 3.42Å; G283-S286 PolarHBondContact O-N 3.45Å; G283-S286 VanDerWaalsContact O-N 3.09Å; G283-N287 PolarHBondContact O-N 3.37Å
284A97.3Very high95.4Very high14 Ų1454.5 Ų54.512%0.11629%0.292CS..Hα-helixtrans-58.7-41.8179.300000112Y241 F281 R282 S286 N287 V288Y241-A284 HydrophobicContact CD1-CB 4Å; Y241-A284 HydrophobicContact CD2-CB 4.34Å; Y241-A284 HydrophobicContact CE1-CB 3.92Å; Y241-A284 HydrophobicContact CE2-CB 4.26Å; Y241-A284 HydrophobicContact CG-CB 4.22Å; Y241-A284 PolarHBondContact OH-N 3.33Å; F281-A284 HydrophobicContact CB-CB 4.32Å; F281-A284 WeakPolarHBondContact O-CB 3.47Å; F281-A284 PolarHBondContact O-N 3.35Å; R282-A284 VanDerWaalsContact C-N 3.34Å; A284-S286 PolarHBondContact O-N 2.72Å; A284-N287 WeakPolarHBondContact O-CA 3.17Å; A284-N287 VanDerWaalsContact O-CB 3.28Å; A284-N287 WeakPolarHBondContact O-CB 3.19Å; A284-N287 PolarHBondContact O-N 3.36Å; A284-N287 VanDerWaalsContact O-N 3.12Å; A284-V288 WeakPolarHBondContact O-CG2 3.19Å; A284-V288 PolarHBondContact O-N 2.92Å
285F96.7Very high94.9Very high133 Ų13348.8 Ų48.858%0.58327%0.271SS*.Hα-helixtrans-60.6-44.8174.1-178.9-118.7000112.2M66 G283 N287 V288 L289M66-F285 HydrophobicContact CE-CD1 3.3Å; M66-F285 HydrophobicContact CE-CE1 3.75Å; M66-F285 HydrophobicContact CE-CG 4.21Å; M66-F285 HydrophobicContact SD-CD1 4.08Å; M66-F285 HydrophobicContact SD-CE1 4.01Å; G283-F285 VanDerWaalsContact C-N 3.31Å; G283-F285 PolarHBondContact O-N 2.85Å; F285-N287 VanDerWaalsContact C-N 3.26Å; F285-N287 PolarHBondContact O-N 2.95Å; F285-V288 PolarHBondContact O-N 2.91Å; F285-V288 VanDerWaalsContact O-N 3.15Å; F285-L289 HydrophobicContact CD1-CD1 4.27Å; F285-L289 HydrophobicContact CE1-CD1 3.64Å; F285-L289 HydrophobicContact CE1-CG 4.14Å; F285-L289 HydrophobicContact CE2-CD1 4.46Å; F285-L289 HydrophobicContact CE2-CD2 4.14Å; F285-L289 HydrophobicContact CE2-CG 4.12Å; F285-L289 HydrophobicContact CZ-CD1 3.75Å; F285-L289 HydrophobicContact CZ-CD2 3.98Å; F285-L289 HydrophobicContact CZ-CG 3.89Å; F285-L289 PolarHBondContact O-N 3.46Å
286S97.1Very high94.6Very high2 Ų250.5 Ų50.51%0.01428%0.282CS..Hα-helixtrans-58.1-39.4172.9-42.50000112I41 M66 G283 A284 V288 R290I41-S286 WeakPolarHBondContact CG2-O 3.48Å; M66-S286 WeakPolarHBondContact CE-OG 3.46Å; G283-S286 WeakPolarHBondContact O-CA 3.41Å; G283-S286 WeakPolarHBondContact O-CB 3.42Å; G283-S286 PolarHBondContact O-N 3.45Å; G283-S286 VanDerWaalsContact O-N 3.09Å; A284-S286 PolarHBondContact O-N 2.72Å; S286-V288 PolarHBondContact O-N 2.72Å; S286-R290 VanDerWaalsContact O-CB 3.23Å; S286-R290 WeakPolarHBondContact O-CB 3.23Å; S286-R290 PolarHBondContact O-N 2.94Å
287N96.4Very high94.2Very high26 Ų2650.8 Ų50.814%0.13928%0.278CS..Hα-helixtrans-63.3-40.2177.2-176.979.7000112.5K45 Y241 G283 A284 F285 R290 G291K45-N287 HydrophobicContact CD-CB 3.81Å; K45-N287 WeakPolarHBondContact CE-OD1 3.32Å; K45-N287 HydrophobicContact CG-CB 4.14Å; K45-N287 PolarHBondContact NZ-OD1 3.3Å; Y241-N287 HydrophobicContact CE2-CB 3.66Å; G283-N287 PolarHBondContact O-N 3.37Å; A284-N287 WeakPolarHBondContact O-CA 3.17Å; A284-N287 VanDerWaalsContact O-CB 3.28Å; A284-N287 WeakPolarHBondContact O-CB 3.19Å; A284-N287 PolarHBondContact O-N 3.36Å; A284-N287 VanDerWaalsContact O-N 3.12Å; F285-N287 VanDerWaalsContact C-N 3.26Å; F285-N287 PolarHBondContact O-N 2.95Å; N287-R290 PolarHBondContact OD1-NH2 3.45Å; N287-G291 PolarHBondContact O-N 3.4Å
288V96Very high93.8Very high36 Ų3649.6 Ų49.622%0.21827%0.272CS..Hα-helixtrans-65.7-53.3175.71760000110.5T234 A284 F285 S286 R290 G291 T292T234-V288 HydrophobicContact CG2-CG1 4Å; T234-V288 HydrophobicContact CG2-CG2 3.85Å; A284-V288 WeakPolarHBondContact O-CG2 3.19Å; A284-V288 PolarHBondContact O-N 2.92Å; F285-V288 PolarHBondContact O-N 2.91Å; F285-V288 VanDerWaalsContact O-N 3.15Å; S286-V288 PolarHBondContact O-N 2.72Å; V288-R290 VanDerWaalsContact C-N 3.28Å; V288-R290 PolarHBondContact O-N 3.14Å; V288-G291 WeakPolarHBondContact O-CA 3.29Å; V288-G291 PolarHBondContact O-N 3.39Å; V288-T292 PolarHBondContact O-N 3Å; V288-T292 PolarHBondContact O-OG1 2.85Å
289L95.1Very high93.3Very high70 Ų7047 Ų4737%0.36626%0.26SS..Hα-helixtrans-55.7-43.8178.7-71.2-172.4000112.3I41 M66 F285 G291 T292 G293I41-L289 HydrophobicContact CG2-CB 4.25Å; M66-L289 HydrophobicContact CE-CD1 3.77Å; M66-L289 HydrophobicContact SD-CD1 3.92Å; F285-L289 HydrophobicContact CD1-CD1 4.27Å; F285-L289 HydrophobicContact CE1-CD1 3.64Å; F285-L289 HydrophobicContact CE1-CG 4.14Å; F285-L289 HydrophobicContact CE2-CD1 4.46Å; F285-L289 HydrophobicContact CE2-CD2 4.14Å; F285-L289 HydrophobicContact CE2-CG 4.12Å; F285-L289 HydrophobicContact CZ-CD1 3.75Å; F285-L289 HydrophobicContact CZ-CD2 3.98Å; F285-L289 HydrophobicContact CZ-CG 3.89Å; F285-L289 PolarHBondContact O-N 3.46Å; L289-G291 VanDerWaalsContact C-N 3.33Å; L289-G291 PolarHBondContact O-N 3.47Å; L289-T292 PolarHBondContact O-N 2.77Å; L289-G293 PolarHBondContact O-N 2.88Å
290R93.7Very high92.7Very high59 Ų5951.3 Ų51.322%0.22328%0.283CS..Hα-helixtrans-62.1-39.9175.1175.7-151.866.7148.72.1112.2V38 I41 E42 S286 N287 V288 G294V38-R290 HydrophobicContact CB-CG 3.94Å; V38-R290 HydrophobicContact CG2-CG 3.7Å; I41-R290 HydrophobicContact CB-CB 4.38Å; I41-R290 HydrophobicContact CG2-CB 3.92Å; E42-R290 HydrophobicContact CB-CG 4.46Å; E42-R290 IonicContact OE1-NH1 3.01Å; E42-R290 PolarHBondContact OE1-NH1 2.68Å; E42-R290 WeakPolarHBondContact OE2-CD 3.44Å; E42-R290 IonicContact OE2-CZ 3.5Å; E42-R290 IonicContact OE2-NE 3.68Å; E42-R290 PolarHBondContact OE2-NE 3.23Å; E42-R290 IonicContact OE2-NH1 3.08Å; E42-R290 PolarHBondContact OE2-NH1 3.03Å; S286-R290 VanDerWaalsContact O-CB 3.23Å; S286-R290 WeakPolarHBondContact O-CB 3.23Å; S286-R290 PolarHBondContact O-N 2.94Å; N287-R290 PolarHBondContact OD1-NH2 3.45Å; V288-R290 VanDerWaalsContact C-N 3.28Å; V288-R290 PolarHBondContact O-N 3.14Å; R290-G294 PolarHBondContact O-N 2.8Å
291G90.8Very high92.1Very high40 Ų4053.5 Ų53.541%0.41229%0.291SS..Hα-helixtrans-61.8-52.1176.800000111.8N287 V288 L289 G294 A295N287-G291 PolarHBondContact O-N 3.4Å; V288-G291 WeakPolarHBondContact O-CA 3.29Å; V288-G291 PolarHBondContact O-N 3.39Å; L289-G291 VanDerWaalsContact C-N 3.33Å; L289-G291 PolarHBondContact O-N 3.47Å; G291-G294 PolarHBondContact O-N 3.48Å; G291-A295 PolarHBondContact O-N 2.9Å; G291-A295 VanDerWaalsContact O-N 3.16Å
292T89.7Confident91.4Very high68 Ų6854 Ų5442%0.41730%0.297SS..Hα-helixtrans-64.1-46.1178.2-53.40000111.9V288 L289 G294 A295 L296V288-T292 PolarHBondContact O-N 3Å; V288-T292 PolarHBondContact O-OG1 2.85Å; L289-T292 PolarHBondContact O-N 2.77Å; T292-G294 VanDerWaalsContact C-N 3.33Å; T292-G294 PolarHBondContact O-N 3.16Å; T292-A295 PolarHBondContact O-N 2.97Å; T292-L296 PolarHBondContact O-N 3.48Å
293G89.7Confident90.7Very high22 Ų2254.4 Ų54.423%0.22730%0.302CS..Hα-helixtrans-61.8-39.6177.700000112.4L289 A295 L296 V297L289-G293 PolarHBondContact O-N 2.88Å; G293-A295 VanDerWaalsContact C-N 3.34Å; G293-A295 PolarHBondContact O-N 2.94Å; G293-L296 PolarHBondContact O-N 3.28Å; G293-V297 VanDerWaalsContact O-CG2 3.27Å; G293-V297 WeakPolarHBondContact O-CG2 3.39Å; G293-V297 PolarHBondContact O-N 3.01Å
294G89.4Confident90Very high9 Ų958.3 Ų58.39%0.09332%0.32CS..Hα-helixtrans-64.1-40.1177.300000112.1S34 R290 G291 T292 L298S34-G294 WeakPolarHBondContact OG-CA 3.32Å; S34-G294 PolarHBondContact OG-O 2.85Å; R290-G294 PolarHBondContact O-N 2.8Å; G291-G294 PolarHBondContact O-N 3.48Å; T292-G294 VanDerWaalsContact C-N 3.33Å; T292-G294 PolarHBondContact O-N 3.16Å; G294-L298 WeakPolarHBondContact O-CG 3.29Å; G294-L298 PolarHBondContact O-N 2.92Å
295A87.6Confident89.1Confident29 Ų2959.9 Ų59.924%0.2432%0.324CS..Hα-helixtrans-66.1-44.2174.500000112G291 T292 G293 V297 L298 V299G291-A295 PolarHBondContact O-N 2.9Å; G291-A295 VanDerWaalsContact O-N 3.16Å; T292-A295 PolarHBondContact O-N 2.97Å; G293-A295 VanDerWaalsContact C-N 3.34Å; G293-A295 PolarHBondContact O-N 2.94Å; A295-V297 PolarHBondContact O-N 3.17Å; A295-L298 PolarHBondContact O-N 3.35Å; A295-V299 WeakPolarHBondContact O-CG2 3.43Å; A295-V299 PolarHBondContact O-N 3.14Å
296L88.7Confident88.3Confident103 Ų10358.9 Ų58.954%0.53932%0.321SS..Hα-helixtrans-61-44.8177.5-178.562.3000111.7T292 G293 L298 V299 L300T292-L296 PolarHBondContact O-N 3.48Å; G293-L296 PolarHBondContact O-N 3.28Å; L296-L298 VanDerWaalsContact C-N 3.3Å; L296-L298 PolarHBondContact O-N 2.84Å; L296-V299 PolarHBondContact O-N 3.29Å; L296-L300 HydrophobicContact CD1-CD1 4.35Å; L296-L300 HydrophobicContact CD1-CG 4.34Å; L296-L300 HydrophobicContact CG-CD1 4.05Å; L296-L300 HydrophobicContact CG-CG 4.46Å; L296-L300 WeakPolarHBondContact O-CG 3.41Å; L296-L300 PolarHBondContact O-N 3.22Å
297V89.6Confident87.4Confident34 Ų3466.4 Ų66.421%0.20635%0.354CS..Hα-helixtrans-61.9-38.8177.7173.40000111.4V33 A37 G293 A295 L300 Y301V33-V297 HydrophobicContact CG1-CG1 4.13Å; A37-V297 HydrophobicContact CB-CG1 4.22Å; A37-V297 HydrophobicContact CB-CG2 3.91Å; G293-V297 VanDerWaalsContact O-CG2 3.27Å; G293-V297 WeakPolarHBondContact O-CG2 3.39Å; G293-V297 PolarHBondContact O-N 3.01Å; A295-V297 PolarHBondContact O-N 3.17Å; V297-L300 PolarHBondContact O-N 3.36Å; V297-Y301 VanDerWaalsContact O-CB 3.25Å; V297-Y301 WeakPolarHBondContact O-CB 3.36Å; V297-Y301 PolarHBondContact O-N 2.81Å
298L87.6Confident86.6Confident66 Ų6671.3 Ų71.335%0.34637%0.374SS..Hα-helixtrans-64.8-44.8175.7-71.9170.5000111.7A30 G294 A295 L296 L300 Y301 D302A30-L298 HydrophobicContact CB-CD2 4.07Å; G294-L298 WeakPolarHBondContact O-CG 3.29Å; G294-L298 PolarHBondContact O-N 2.92Å; A295-L298 PolarHBondContact O-N 3.35Å; L296-L298 VanDerWaalsContact C-N 3.3Å; L296-L298 PolarHBondContact O-N 2.84Å; L298-L300 VanDerWaalsContact C-N 3.35Å; L298-L300 PolarHBondContact O-N 2.92Å; L298-Y301 PolarHBondContact O-N 2.83Å; L298-D302 PolarHBondContact O-N 3.25Å
299V85.7Confident85.5Confident75 Ų7577.2 Ų77.246%0.45540%0.399SS..Hα-helixtrans-61.4-43.7177.1172.20000111.4A295 L296 D302 K303A295-V299 WeakPolarHBondContact O-CG2 3.43Å; A295-V299 PolarHBondContact O-N 3.14Å; L296-V299 PolarHBondContact O-N 3.29Å; V299-D302 PolarHBondContact O-N 3.44Å; V299-K303 WeakPolarHBondContact O-CG 3.09Å; V299-K303 PolarHBondContact O-N 2.78Å
300L85.7Confident84.1Confident93 Ų9377.9 Ų77.949%0.48740%0.402SS..Hα-helixtrans-64.8-41.8176.2-69.7173000111.7L296 V297 L298 D302 K303 I304L296-L300 HydrophobicContact CD1-CD1 4.35Å; L296-L300 HydrophobicContact CD1-CG 4.34Å; L296-L300 HydrophobicContact CG-CD1 4.05Å; L296-L300 HydrophobicContact CG-CG 4.46Å; L296-L300 WeakPolarHBondContact O-CG 3.41Å; L296-L300 PolarHBondContact O-N 3.22Å; V297-L300 PolarHBondContact O-N 3.36Å; L298-L300 VanDerWaalsContact C-N 3.35Å; L298-L300 PolarHBondContact O-N 2.92Å; L300-D302 VanDerWaalsContact C-N 3.33Å; L300-D302 PolarHBondContact O-N 3.4Å; L300-K303 PolarHBondContact O-N 3.25Å; L300-I304 VanDerWaalsContact O-CG1 3.27Å; L300-I304 WeakPolarHBondContact O-CG1 3.43Å; L300-I304 PolarHBondContact O-N 3.33Å
301Y84.8Confident82.5Confident54 Ų5481.4 Ų81.421%0.21243%0.425CS..Hα-helixtrans-61.3-41.5176.7-177.4-104.4000111.9V29 A30 V33 V297 L298 I304 K305V29-Y301 WeakPolarHBondContact CG1-OH 3.31Å; A30-Y301 HydrophobicContact CB-CD1 3.63Å; A30-Y301 HydrophobicContact CB-CE1 3.49Å; A30-Y301 VanDerWaalsContact CB-CE1 3.49Å; V33-Y301 HydrophobicContact CG2-CE2 4.5Å; V297-Y301 VanDerWaalsContact O-CB 3.25Å; V297-Y301 WeakPolarHBondContact O-CB 3.36Å; V297-Y301 PolarHBondContact O-N 2.81Å; L298-Y301 PolarHBondContact O-N 2.83Å; Y301-I304 PolarHBondContact O-N 2.84Å; Y301-K305 HydrophobicContact CD1-CD 4.05Å; Y301-K305 HydrophobicContact CE1-CD 3.47Å; Y301-K305 VanDerWaalsContact CE1-CD 3.47Å; Y301-K305 HydrophobicContact CE1-CG 4.25Å; Y301-K305 VanDerWaalsContact CE1-NZ 3.3Å; Y301-K305 WeakPolarHBondContact O-CE 3.08Å; Y301-K305 WeakPolarHBondContact O-CG 3.29Å; Y301-K305 PolarHBondContact O-N 2.86Å
302D83.3Confident80.6Confident82 Ų8284.4 Ų84.444%0.43943%0.431SS..Hα-helixtrans-65.9-41175.5-69.9-22.2000111.7L298 V299 L300 I304 K305 E306L298-D302 PolarHBondContact O-N 3.25Å; V299-D302 PolarHBondContact O-N 3.44Å; L300-D302 VanDerWaalsContact C-N 3.33Å; L300-D302 PolarHBondContact O-N 3.4Å; D302-I304 PolarHBondContact O-N 3.36Å; D302-K305 PolarHBondContact O-N 2.87Å; D302-K305 WeakPolarHBondContact OD1-CE 3.27Å; D302-K305 IonicContact OD1-NZ 3.54Å; D302-K305 PolarHBondContact OD1-NZ 3.37Å; D302-E306 WeakPolarHBondContact O-CB 3.09Å; D302-E306 PolarHBondContact O-N 3.47Å
303K83.2Confident78.4Confident119 Ų11983 Ų8352%0.51743%0.43SS..Hα-helixtrans-64.3-38.2175.6-76.8-73.9161.4-154.10113.3V299 L300 E306 F307V299-K303 WeakPolarHBondContact O-CG 3.09Å; V299-K303 PolarHBondContact O-N 2.78Å; L300-K303 PolarHBondContact O-N 3.25Å; K303-E306 IonicContact NZ-OE1 3.6Å; K303-E306 IonicContact NZ-OE2 3.9Å; K303-E306 PolarHBondContact NZ-OE2 2.94Å; K303-F307 WeakPolarHBondContact O-CB 3.41Å; K303-F307 PolarHBondContact O-N 3.09Å
304I81.8Confident75.9Confident91 Ų9186 Ų8647%0.46746%0.461SS..Hα-helixtrans-65.2-46.3175-71.3167.1000110.2L300 Y301 D302 E306 F307 F308L300-I304 VanDerWaalsContact O-CG1 3.27Å; L300-I304 WeakPolarHBondContact O-CG1 3.43Å; L300-I304 PolarHBondContact O-N 3.33Å; Y301-I304 PolarHBondContact O-N 2.84Å; D302-I304 PolarHBondContact O-N 3.36Å; I304-E306 VanDerWaalsContact C-N 3.34Å; I304-E306 PolarHBondContact O-N 2.87Å; I304-F307 PolarHBondContact O-N 2.87Å; I304-F308 HydrophobicContact CG2-CD2 3.66Å; I304-F308 HydrophobicContact CG2-CE2 3.82Å; I304-F308 VanDerWaalsContact O-CD2 3.25Å; I304-F308 WeakPolarHBondContact O-CD2 3.47Å; I304-F308 PolarHBondContact O-N 2.86Å
305K79.3Confident73.5Confident46 Ų46101 Ų10120%0.252%0.515CS..Hα-helixtrans-59.7-44.2176.7-76.4-179.8-68.7174.20112.4Y301 D302 F308 H309 I310Y301-K305 HydrophobicContact CD1-CD 4.05Å; Y301-K305 HydrophobicContact CE1-CD 3.47Å; Y301-K305 VanDerWaalsContact CE1-CD 3.47Å; Y301-K305 HydrophobicContact CE1-CG 4.25Å; Y301-K305 VanDerWaalsContact CE1-NZ 3.3Å; Y301-K305 WeakPolarHBondContact O-CE 3.08Å; Y301-K305 WeakPolarHBondContact O-CG 3.29Å; Y301-K305 PolarHBondContact O-N 2.86Å; D302-K305 PolarHBondContact O-N 2.87Å; D302-K305 WeakPolarHBondContact OD1-CE 3.27Å; D302-K305 IonicContact OD1-NZ 3.54Å; D302-K305 PolarHBondContact OD1-NZ 3.37Å; K305-F308 PolarHBondContact O-N 3.39Å; K305-H309 PolarHBondContact O-N 2.87Å; K305-H309 VanDerWaalsContact O-N 3.13Å; K305-I310 HydrophobicContact CB-CB 4.48Å; K305-I310 HydrophobicContact CG-CB 4.49Å; K305-I310 PolarHBondContact O-N 3.3Å
306E79.7Confident72.8Confident113 Ų113104.6 Ų104.653%0.52853%0.528SS..Hα-helixtrans-59.2-46.2175.9-173.7-177.9178.600111D302 K303 I304 F308 H309D302-E306 WeakPolarHBondContact O-CB 3.09Å; D302-E306 PolarHBondContact O-N 3.47Å; K303-E306 IonicContact NZ-OE1 3.6Å; K303-E306 IonicContact NZ-OE2 3.9Å; K303-E306 PolarHBondContact NZ-OE2 2.94Å; I304-E306 VanDerWaalsContact C-N 3.34Å; I304-E306 PolarHBondContact O-N 2.87Å; E306-F308 PolarHBondContact O-N 3.29Å; E306-H309 PolarHBondContact O-N 2.88Å
307F77.1Confident71.9Confident159 Ų159104.6 Ų104.670%0.69753%0.528SS*.Hα-helixtrans-63.5-38178.4-176.9-96.1000113.4K303 I304 H309K303-F307 WeakPolarHBondContact O-CB 3.41Å; K303-F307 PolarHBondContact O-N 3.09Å; I304-F307 PolarHBondContact O-N 2.87Å; F307-H309 VanDerWaalsContact C-N 3.3Å; F307-H309 PolarHBondContact O-N 3.22Å
308F79.3Confident71Confident130 Ų130108.6 Ų108.657%0.5755%0.546SS*.THydrogen-bonded Turntrans-86.46.4177.5-75.1-72.4000113.8I304 K305 E306 I310I304-F308 HydrophobicContact CG2-CD2 3.66Å; I304-F308 HydrophobicContact CG2-CE2 3.82Å; I304-F308 VanDerWaalsContact O-CD2 3.25Å; I304-F308 WeakPolarHBondContact O-CD2 3.47Å; I304-F308 PolarHBondContact O-N 2.86Å; K305-F308 PolarHBondContact O-N 3.39Å; E306-F308 PolarHBondContact O-N 3.29Å; F308-I310 HydrophobicContact CB-CD1 3.76Å; F308-I310 HydrophobicContact CB-CG1 3.73Å; F308-I310 PolarHBondContact O-N 3.18Å; F308-I310 VanDerWaalsContact O-N 3.11Å
309H72.9Confident70Confident159 Ų159111.1 Ų111.174%0.73656%0.557SS**THydrogen-bonded Turntrans51.231.4-173.8-59.4-66.8000113.7K305 E306 F307 D311K305-H309 PolarHBondContact O-N 2.87Å; K305-H309 VanDerWaalsContact O-N 3.13Å; E306-H309 PolarHBondContact O-N 2.88Å; F307-H309 VanDerWaalsContact C-N 3.3Å; F307-H309 PolarHBondContact O-N 3.22Å; H309-D311 PolarHBondContact O-N 3.01Å
310I67.1Low69Low84 Ų84113.3 Ų113.343%0.43156%0.564SS.*  trans-82.668.5175.4-54.3173.3000107.4K305 F308 I312K305-I310 HydrophobicContact CB-CB 4.48Å; K305-I310 HydrophobicContact CG-CB 4.49Å; K305-I310 PolarHBondContact O-N 3.3Å; F308-I310 HydrophobicContact CB-CD1 3.76Å; F308-I310 HydrophobicContact CB-CG1 3.73Å; F308-I310 PolarHBondContact O-N 3.18Å; F308-I310 VanDerWaalsContact O-N 3.11Å; I310-I312 VanDerWaalsContact C-N 3.31Å; I310-I312 HydrophobicContact CG2-CD1 4.18Å; I310-I312 HydrophobicContact CG2-CG1 4.03Å; I310-I312 PolarHBondContact O-N 3.27Å
311D60.1Low67.9Low133 Ų133114.7 Ų114.771%0.71157%0.569SS**  trans-79.781171.7-77.9-29.8000109.3H309 G313H309-D311 PolarHBondContact O-N 3.01Å; D311-G313 PolarHBondContact O-N 2.93Å; D311-G313 VanDerWaalsContact O-N 3.11Å
312I50.9Low66.7Low103 Ų103119 Ų11953%0.52859%0.594SS.*  trans-82.475.1159.7-52.8173.8000106.6K22 A26 I310K22-I312 HydrophobicContact CB-CG2 4.24Å; A26-I312 HydrophobicContact CB-CG2 4.35Å; I310-I312 VanDerWaalsContact C-N 3.31Å; I310-I312 HydrophobicContact CG2-CD1 4.18Å; I310-I312 HydrophobicContact CG2-CG1 4.03Å; I310-I312 PolarHBondContact O-N 3.27Å
313G43.7Very low65.4Low39 Ų39121.8 Ų121.840%0.40261%0.606SS.*SBendtrans162.183.9178.500000111.6D311 R315D311-G313 PolarHBondContact O-N 2.93Å; D311-G313 VanDerWaalsContact O-N 3.11Å; G313-R315 PolarHBondContact O-N 3.17Å; G313-R315 VanDerWaalsContact O-N 3.17Å
314G37.3Very low63.9Low85 Ų85122.1 Ų122.188%0.87661%0.614SS**  trans-53.9120.1169.400000110.1
315R38.1Very low62.3Low323 Ų323124.9 Ų124.9100%1.21963%0.627SS**  trans-870152.6-81.5-173.2175.7179.32.1109.1G313G313-R315 PolarHBondContact O-N 3.17Å; G313-R315 VanDerWaalsContact O-N 3.17Å

Retrieved 315 of 315 residues in 61.3 ms (Link to these results)