A0A087XXM0_POEFO Loading...

43 kDa receptor-associated protein of the synapse

Postsynaptic protein required for clustering of nicotinic acetylcholine receptors (nAChRs) at the neuromuscular junction. It may link the receptor to the underlying postsynaptic cytoskeleton, possibly by direct association with actin or spectrin.

AlphaFold DB , UniProt , Accession A0A087XXM0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 423 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
1M32.2Very low34.7Very low64 Ų64104 Ų10432%0.31555%0.549SS..  083.30-167-174-166.700108.1L25 Y28 W40 T62M1-L25 HydrophobicContact CE-CD2 3.69Å; M1-Y28 HydrophobicContact CE-CD1 3.29Å; M1-Y28 HydrophobicContact CE-CE1 3.52Å; M1-Y28 HydrophobicContact CE-CG 4.05Å; M1-Y28 HydrophobicContact SD-CD1 3.43Å; M1-Y28 WeakPolarHBondContact SD-CD1 3.44Å; M1-Y28 HydrophobicContact SD-CE1 3.58Å; M1-Y28 VanDerWaalsContact SD-CE1 3.58Å; M1-W40 HydrophobicContact CE-CH2 4.38Å; M1-T62 HydrophobicContact CE-CG2 4.34Å; M1-T62 HydrophobicContact CG-CG2 4.3Å
2N33.2Very low34.8Very low130 Ų130110.8 Ų110.870%0.69558%0.579SS**  trans-165.885.1169.5-95.4-17.3000108.8
3I34.8Very low36Very low72 Ų72106.4 Ų106.437%0.36958%0.577SS.*  trans-111.9-7.3157.8-62.6174.5000109.3T5 L132I3-T5 VanDerWaalsContact C-N 3.27Å; I3-T5 PolarHBondContact O-N 3.34Å; I3-L132 HydrophobicContact CD1-CD2 4.24Å; I3-L132 HydrophobicContact CG2-CD2 4.21Å
4F37.1Very low37.6Very low60 Ų60102.7 Ų102.726%0.26355%0.554SS.*  trans-84.443.6-169.9-64.8-73000115.5C59F4-C59 HydrophobicContact CZ-CB 4.43Å; F4-C59 VanDerWaalsContact CZ-SG 3.58Å
5T35.5Very low39.5Very low113 Ų113101.3 Ų101.369%0.69355%0.547SS*.  trans-130.495.9166.844.60000108.1I3I3-T5 VanDerWaalsContact C-N 3.27Å; I3-T5 PolarHBondContact O-N 3.34Å
6L33.8Very low41.9Very low89 Ų89103.9 Ų103.947%0.46655%0.554SS.*  trans-167124.7141.2-95.6150.7000112.9
7R38.2Very low44.2Very low200 Ų20099.2 Ų99.276%0.75553%0.53SS*.  trans73.2119157.1-63.1-176.1177.1-177-0.1121.3R55R7-R55 PolarHBondContact O-NH2 2.98Å
8I36.3Very low46.4Very low74 Ų7497.9 Ų97.938%0.37952%0.519SS..  trans-138.4131.2158.5-62.2-178.8000108.2K18I8-K18 HydrophobicContact CD1-CB 4.5Å; I8-K18 HydrophobicContact CD1-CD 3.34Å; I8-K18 HydrophobicContact CD1-CG 3.91Å
9A28.9Very low48.5Very low82 Ų8298.1 Ų98.168%0.67852%0.517SS*.  trans-100.6137.1147.300000106.8Q14A9-Q14 PolarHBondContact O-OE1 3.16Å
10P35.8Very low50.5Low114 Ų11497.1 Ų97.174%0.7451%0.509SS*.  trans-89.5130.5-163.331.6-32.3000114.7
11E35.7Very low52.2Low146 Ų14693.1 Ų93.168%0.68249%0.488SS*.  trans-118.4147.8153.1-73.5-173.817200110.8G13 Q14E11-G13 VanDerWaalsContact C-N 3.25Å; E11-G13 PolarHBondContact O-N 3.29Å; E11-Q14 WeakPolarHBondContact O-CB 3.15Å; E11-Q14 PolarHBondContact O-N 2.74Å
12M36.4Very low55Low185 Ų18594.1 Ų94.191%0.91149%0.492SS*.Hα-helixtrans-56.2-25.3-167.7-76.4-166.4-65.100116.3
13G50.6Low57.7Low54 Ų5493.1 Ų93.156%0.55748%0.482SS*.Hα-helixtrans-80.7-27.8175.500000114.2E11 D15E11-G13 VanDerWaalsContact C-N 3.25Å; E11-G13 PolarHBondContact O-N 3.29Å; G13-D15 VanDerWaalsContact C-N 3.28Å; G13-D15 PolarHBondContact O-N 3.07Å
14Q57.8Low60.3Low55 Ų5589.7 Ų89.726%0.25746%0.464SS..Hα-helixtrans-70.1-28.3178.1-66172.2-15.400111.6A9 E11 K18A9-Q14 PolarHBondContact O-OE1 3.16Å; E11-Q14 WeakPolarHBondContact O-CB 3.15Å; E11-Q14 PolarHBondContact O-N 2.74Å; Q14-K18 VanDerWaalsContact O-CB 3.24Å; Q14-K18 WeakPolarHBondContact O-CB 3.37Å; Q14-K18 PolarHBondContact O-N 2.94Å
15D66.5Low62.8Low82 Ų8288.3 Ų88.344%0.43946%0.459SS..Hα-helixtrans-71.8-37.5-175.1-149.625.1000112.2G13 Q19G13-D15 VanDerWaalsContact C-N 3.28Å; G13-D15 PolarHBondContact O-N 3.07Å; D15-Q19 WeakPolarHBondContact O-CB 3.33Å; D15-Q19 WeakPolarHBondContact O-CG 3.48Å; D15-Q19 PolarHBondContact O-N 2.73Å
16Q77.6Confident65.3Low142 Ų14289.5 Ų89.566%0.66446%0.455SS*.Hα-helixtrans-68.7-44.8174.9-70.8-171.72.400112.6K18 Q19 Q20Q16-K18 VanDerWaalsContact C-N 3.33Å; Q16-K18 PolarHBondContact O-N 3.17Å; Q16-Q19 PolarHBondContact O-N 3.27Å; Q16-Q20 WeakPolarHBondContact O-CG 3.34Å; Q16-Q20 PolarHBondContact O-N 3.31Å; Q16-Q20 VanDerWaalsContact O-N 3.07Å
17T81.4Confident67.9Low24 Ų2486.8 Ų86.815%0.14744%0.44CS..Hα-helixtrans-59.4-45.7176.3-660000110.7Q20 I21 V43T17-Q20 PolarHBondContact O-N 3.15Å; T17-I21 HydrophobicContact CG2-CD1 4.02Å; T17-I21 WeakPolarHBondContact O-CG1 3.25Å; T17-I21 PolarHBondContact O-N 3.05Å; T17-V43 HydrophobicContact CG2-CG1 3.84Å
18K82.9Confident70.1Confident77 Ų7778.3 Ų78.334%0.33541%0.409SS..Hα-helixtrans-59.4-47.7176.3-170.3-161.8-172.9-178.50112.3I8 Q14 Q16 Q20 I21 E22I8-K18 HydrophobicContact CD1-CB 4.5Å; I8-K18 HydrophobicContact CD1-CD 3.34Å; I8-K18 HydrophobicContact CD1-CG 3.91Å; Q14-K18 VanDerWaalsContact O-CB 3.24Å; Q14-K18 WeakPolarHBondContact O-CB 3.37Å; Q14-K18 PolarHBondContact O-N 2.94Å; Q16-K18 VanDerWaalsContact C-N 3.33Å; Q16-K18 PolarHBondContact O-N 3.17Å; K18-Q20 VanDerWaalsContact C-N 3.31Å; K18-Q20 PolarHBondContact O-N 3.15Å; K18-I21 PolarHBondContact O-N 3.11Å; K18-E22 VanDerWaalsContact CE-OE1 3.27Å; K18-E22 WeakPolarHBondContact CE-OE1 3.2Å; K18-E22 WeakPolarHBondContact O-CG 3.18Å; K18-E22 PolarHBondContact O-N 3.41Å
19Q86.2Confident72.3Confident101 Ų10181.2 Ų81.247%0.47242%0.421SS..Hα-helixtrans-59.6-39.3178.4-75.5172.417.400112.6D15 Q16 E22 K23D15-Q19 WeakPolarHBondContact O-CB 3.33Å; D15-Q19 WeakPolarHBondContact O-CG 3.48Å; D15-Q19 PolarHBondContact O-N 2.73Å; Q16-Q19 PolarHBondContact O-N 3.27Å; Q19-E22 PolarHBondContact O-N 3.32Å; Q19-K23 WeakPolarHBondContact O-CB 3.4Å; Q19-K23 PolarHBondContact O-N 3Å
20Q88.2Confident75Confident77 Ų7781 Ų8136%0.3641%0.414SS..Hα-helixtrans-70.2-37.2176.7-65.7-55.8-46.200112.4Q16 T17 K18 K23 G24 V39 V43Q16-Q20 WeakPolarHBondContact O-CG 3.34Å; Q16-Q20 PolarHBondContact O-N 3.31Å; Q16-Q20 VanDerWaalsContact O-N 3.07Å; T17-Q20 PolarHBondContact O-N 3.15Å; K18-Q20 VanDerWaalsContact C-N 3.31Å; K18-Q20 PolarHBondContact O-N 3.15Å; Q20-K23 PolarHBondContact O-N 3.11Å; Q20-G24 PolarHBondContact O-N 2.92Å; Q20-V39 HydrophobicContact CB-CG1 4.35Å; Q20-V39 VanDerWaalsContact O-CG1 3.32Å; Q20-V39 WeakPolarHBondContact O-CG1 3.34Å; Q20-V43 HydrophobicContact CB-CG2 3.4Å; Q20-V43 VanDerWaalsContact CB-CG2 3.4Å; Q20-V43 HydrophobicContact CG-CG2 4.23Å
21I87.9Confident77.2Confident14 Ų1480.3 Ų80.37%0.07240%0.404CS..Hα-helixtrans-60.5-48173.2-67.9168.3000110.2T17 K18 K23 G24 L25 W40 V43 R55 V56T17-I21 HydrophobicContact CG2-CD1 4.02Å; T17-I21 WeakPolarHBondContact O-CG1 3.25Å; T17-I21 PolarHBondContact O-N 3.05Å; K18-I21 PolarHBondContact O-N 3.11Å; I21-K23 VanDerWaalsContact C-N 3.34Å; I21-K23 PolarHBondContact O-N 3.15Å; I21-G24 PolarHBondContact O-N 3.41Å; I21-G24 VanDerWaalsContact O-N 3.15Å; I21-L25 HydrophobicContact CG2-CD1 4.29Å; I21-L25 WeakPolarHBondContact O-CG 3.3Å; I21-L25 PolarHBondContact O-N 3.42Å; I21-W40 PolarHBondContact O-NE1 3.45Å; I21-V43 HydrophobicContact CG1-CG1 4.26Å; I21-R55 HydrophobicContact CD1-CB 4.11Å; I21-V56 HydrophobicContact CD1-CB 4.26Å; I21-V56 HydrophobicContact CG1-CB 4.28Å; I21-V56 HydrophobicContact CG1-CG2 4.49Å
22E89.2Confident79.6Confident85 Ų8577 Ų7740%0.39739%0.389SS..Hα-helixtrans-62.1-39.4177.4-72.6178.5-169.300112.5K18 Q19 G24 L25 K26K18-E22 VanDerWaalsContact CE-OE1 3.27Å; K18-E22 WeakPolarHBondContact CE-OE1 3.2Å; K18-E22 WeakPolarHBondContact O-CG 3.18Å; K18-E22 PolarHBondContact O-N 3.41Å; Q19-E22 PolarHBondContact O-N 3.32Å; E22-G24 VanDerWaalsContact C-N 3.34Å; E22-L25 PolarHBondContact O-N 2.85Å; E22-K26 WeakPolarHBondContact O-CG 3.41Å; E22-K26 PolarHBondContact O-N 3.5Å
23K90.8Very high82Confident110 Ų11069.5 Ų69.548%0.47835%0.353SS..Hα-helixtrans-59.9-45.2172.7-178.1-177.9177.1-177.90111.3Q19 Q20 I21 L25 K26 L27Q19-K23 WeakPolarHBondContact O-CB 3.4Å; Q19-K23 PolarHBondContact O-N 3Å; Q20-K23 PolarHBondContact O-N 3.11Å; I21-K23 VanDerWaalsContact C-N 3.34Å; I21-K23 PolarHBondContact O-N 3.15Å; K23-L25 VanDerWaalsContact C-N 3.35Å; K23-K26 PolarHBondContact O-N 3.1Å; K23-L27 HydrophobicContact CG-CD1 4.42Å; K23-L27 WeakPolarHBondContact O-CG 3.4Å; K23-L27 PolarHBondContact O-N 3.18Å; K23-L27 VanDerWaalsContact O-N 3.08Å
24G90.3Very high83.9Confident0 Ų072.8 Ų72.80%036%0.358CS..Hα-helixtrans-59.8-43.1174.600000112.3Q20 I21 E22 K26 L27 Y28 A36 W40Q20-G24 PolarHBondContact O-N 2.92Å; I21-G24 PolarHBondContact O-N 3.41Å; I21-G24 VanDerWaalsContact O-N 3.15Å; E22-G24 VanDerWaalsContact C-N 3.34Å; G24-K26 PolarHBondContact O-N 3.07Å; G24-L27 WeakPolarHBondContact O-CB 3.43Å; G24-L27 PolarHBondContact O-N 3.15Å; G24-Y28 WeakPolarHBondContact O-CB 3.37Å; G24-Y28 PolarHBondContact O-N 3.46Å; G24-A36 VanDerWaalsContact O-CB 3.3Å; G24-A36 WeakPolarHBondContact O-CB 3.46Å; G24-W40 VanDerWaalsContact C-CZ2 3.43Å
25L87.9Confident85.5Confident31 Ų3176 Ų7616%0.16237%0.371CS..Hα-helixtrans-61.1-43177-72.3169000112.4M1 I21 E22 K23 L27 Y28 Q29 W40M1-L25 HydrophobicContact CE-CD2 3.69Å; I21-L25 HydrophobicContact CG2-CD1 4.29Å; I21-L25 WeakPolarHBondContact O-CG 3.3Å; I21-L25 PolarHBondContact O-N 3.42Å; E22-L25 PolarHBondContact O-N 2.85Å; K23-L25 VanDerWaalsContact C-N 3.35Å; L25-L27 PolarHBondContact O-N 3.02Å; L25-Y28 PolarHBondContact O-N 3.2Å; L25-Q29 WeakPolarHBondContact O-CB 3.49Å; L25-Q29 VanDerWaalsContact O-CG 3.31Å; L25-Q29 WeakPolarHBondContact O-CG 3.38Å; L25-Q29 PolarHBondContact O-N 3.47Å; L25-W40 HydrophobicContact CD2-CH2 4.48Å; L25-W40 HydrophobicContact CD2-CZ2 3.85Å; L25-W40 HydrophobicContact CG-CZ2 4.06Å
26K88.1Confident86.8Confident137 Ų13772.1 Ų72.160%0.59635%0.35SS*.Hα-helixtrans-62.9-41.6175.7-71.5176.5-177.4175.40112.2E22 K23 G24 Y28 Q29 S30E22-K26 WeakPolarHBondContact O-CG 3.41Å; E22-K26 PolarHBondContact O-N 3.5Å; K23-K26 PolarHBondContact O-N 3.1Å; G24-K26 PolarHBondContact O-N 3.07Å; K26-Y28 VanDerWaalsContact C-N 3.34Å; K26-Q29 PolarHBondContact O-N 3.13Å; K26-S30 WeakPolarHBondContact O-CB 3.49Å; K26-S30 PolarHBondContact O-N 3.25Å; K26-S30 PolarHBondContact O-OG 2.96Å
27L88.8Confident87.6Confident32 Ų3266.2 Ų66.217%0.16832%0.323CS..Hα-helixtrans-62.5-43.4175.2-71.6168.9000111.2K23 G24 L25 S30 N31 Q32 K35 A36 V39K23-L27 HydrophobicContact CG-CD1 4.42Å; K23-L27 WeakPolarHBondContact O-CG 3.4Å; K23-L27 PolarHBondContact O-N 3.18Å; K23-L27 VanDerWaalsContact O-N 3.08Å; G24-L27 WeakPolarHBondContact O-CB 3.43Å; G24-L27 PolarHBondContact O-N 3.15Å; L25-L27 PolarHBondContact O-N 3.02Å; L27-S30 CarbonylContact O-C 3.39Å; L27-S30 PolarHBondContact O-N 3.12Å; L27-S30 VanDerWaalsContact O-N 3.16Å; L27-N31 PolarHBondContact O-N 3.32Å; L27-Q32 HydrophobicContact CB-CB 4.38Å; L27-Q32 HydrophobicContact CD2-CB 4.31Å; L27-Q32 WeakPolarHBondContact O-CA 3.44Å; L27-Q32 WeakPolarHBondContact O-CB 3.46Å; L27-Q32 PolarHBondContact O-N 3.45Å; L27-K35 HydrophobicContact CD1-CB 4.1Å; L27-A36 HydrophobicContact CB-CB 3.98Å; L27-V39 HydrophobicContact CD1-CG2 4.06Å
28Y85.8Confident88.2Confident22 Ų2271 Ų719%0.08634%0.344CS..Hα-helixtrans-62.8-46.5178.2-167.8-98.5000112M1 G24 L25 K26 S30 N31 T33 A36 W40 A63 E66M1-Y28 HydrophobicContact CE-CD1 3.29Å; M1-Y28 HydrophobicContact CE-CE1 3.52Å; M1-Y28 HydrophobicContact CE-CG 4.05Å; M1-Y28 HydrophobicContact SD-CD1 3.43Å; M1-Y28 WeakPolarHBondContact SD-CD1 3.44Å; M1-Y28 HydrophobicContact SD-CE1 3.58Å; M1-Y28 VanDerWaalsContact SD-CE1 3.58Å; G24-Y28 WeakPolarHBondContact O-CB 3.37Å; G24-Y28 PolarHBondContact O-N 3.46Å; L25-Y28 PolarHBondContact O-N 3.2Å; K26-Y28 VanDerWaalsContact C-N 3.34Å; Y28-S30 PolarHBondContact O-N 2.96Å; Y28-N31 PolarHBondContact O-N 3.37Å; Y28-T33 HydrophobicContact CD2-CG2 4.13Å; Y28-T33 HydrophobicContact CE2-CG2 3.79Å; Y28-A36 HydrophobicContact CD2-CB 4.23Å; Y28-W40 AromaticContact CD2-CH2 3.9Å; Y28-W40 HydrophobicContact CD2-CH2 3.9Å; Y28-W40 HydrophobicContact CD2-CZ3 4.02Å; Y28-W40 AromaticContact CG-CH2 3.83Å; Y28-W40 HydrophobicContact CG-CH2 3.83Å; Y28-W40 HydrophobicContact CG-CZ3 4.42Å; Y28-A63 HydrophobicContact CD2-CB 4.28Å; Y28-A63 HydrophobicContact CE2-CB 3.58Å; Y28-A63 WeakPolarHBondContact OH-CA 3.42Å; Y28-E66 WeakPolarHBondContact OH-CB 3.45Å; Y28-E66 PolarHBondContact OH-OE2 2.98Å
29Q82.6Confident88.7Confident136 Ų13668.3 Ų68.364%0.63633%0.334SS*.Hα-helixtrans-62.1-27175-71.7172.6-5.200112.9L25 K26 N31L25-Q29 WeakPolarHBondContact O-CB 3.49Å; L25-Q29 VanDerWaalsContact O-CG 3.31Å; L25-Q29 WeakPolarHBondContact O-CG 3.38Å; L25-Q29 PolarHBondContact O-N 3.47Å; K26-Q29 PolarHBondContact O-N 3.13Å; Q29-N31 PolarHBondContact O-N 3.07Å
30S84.5Confident89.1Confident77 Ų7763.5 Ų63.554%0.53831%0.311SS..THydrogen-bonded Turntrans-86.314.2175.4-520000113.1K26 L27 Y28 Q32K26-S30 WeakPolarHBondContact O-CB 3.49Å; K26-S30 PolarHBondContact O-N 3.25Å; K26-S30 PolarHBondContact O-OG 2.96Å; L27-S30 CarbonylContact O-C 3.39Å; L27-S30 PolarHBondContact O-N 3.12Å; L27-S30 VanDerWaalsContact O-N 3.16Å; Y28-S30 PolarHBondContact O-N 2.96Å; S30-Q32 PolarHBondContact O-N 3.01Å
31N82Confident89.4Confident99 Ų9961.9 Ų61.953%0.52931%0.306SS..THydrogen-bonded Turntrans60.121.7-177.8-147.434.1000114.3L27 Y28 Q29 T33L27-N31 PolarHBondContact O-N 3.32Å; Y28-N31 PolarHBondContact O-N 3.37Å; Q29-N31 PolarHBondContact O-N 3.07Å; N31-T33 VanDerWaalsContact C-N 3.31Å; N31-T33 PolarHBondContact O-N 3.26Å
32Q86.3Confident89.7Confident78 Ų7866 Ų6636%0.36432%0.324SS..  trans-95.856.2175.2-60.5-175.135.800110.2L27 S30 D34 K35 A36L27-Q32 HydrophobicContact CB-CB 4.38Å; L27-Q32 HydrophobicContact CD2-CB 4.31Å; L27-Q32 WeakPolarHBondContact O-CA 3.44Å; L27-Q32 WeakPolarHBondContact O-CB 3.46Å; L27-Q32 PolarHBondContact O-N 3.45Å; S30-Q32 PolarHBondContact O-N 3.01Å; Q32-D34 PolarHBondContact O-N 3Å; Q32-K35 HydrophobicContact CB-CB 4.44Å; Q32-K35 HydrophobicContact CB-CD 4.44Å; Q32-K35 PolarHBondContact O-N 3.38Å; Q32-A36 PolarHBondContact O-N 3.23Å
33T86.9Confident89.8Confident27 Ų2762.6 Ų62.617%0.16631%0.309CS..Hα-helixtrans-56.1-46.5-170-56.60000113.2Y28 N31 K35 A36 L37 M67Y28-T33 HydrophobicContact CD2-CG2 4.13Å; Y28-T33 HydrophobicContact CE2-CG2 3.79Å; N31-T33 VanDerWaalsContact C-N 3.31Å; N31-T33 PolarHBondContact O-N 3.26Å; T33-K35 VanDerWaalsContact C-N 3.3Å; T33-K35 PolarHBondContact O-N 2.94Å; T33-A36 WeakPolarHBondContact O-CB 3.49Å; T33-A36 PolarHBondContact O-N 2.88Å; T33-A36 VanDerWaalsContact O-N 3.11Å; T33-L37 HydrophobicContact CG2-CD1 4.23Å; T33-L37 HydrophobicContact CG2-CG 4.32Å; T33-L37 WeakPolarHBondContact O-CG 3.46Å; T33-L37 PolarHBondContact O-N 2.94Å; T33-M67 HydrophobicContact CG2-CE 4.26Å; T33-M67 HydrophobicContact CG2-CG 4.32Å; T33-M67 HydrophobicContact CG2-SD 3.68Å
34D89.7Confident89.9Confident122 Ų12258.5 Ų58.565%0.65229%0.292SS*.Hα-helixtrans-62.8-36.9-178.4-61.8-43000112.6Q32 H38Q32-D34 PolarHBondContact O-N 3Å; D34-H38 WeakPolarHBondContact O-CB 3.45Å; D34-H38 PolarHBondContact O-N 3.16Å
35K92.8Very high90Very high123 Ų12365.8 Ų65.854%0.53533%0.326SS..Hα-helixtrans-70.1-38.9175.7-62.2-173.6-167.1166.10111.4L27 Q32 T33 H38 V39L27-K35 HydrophobicContact CD1-CB 4.1Å; Q32-K35 HydrophobicContact CB-CB 4.44Å; Q32-K35 HydrophobicContact CB-CD 4.44Å; Q32-K35 PolarHBondContact O-N 3.38Å; T33-K35 VanDerWaalsContact C-N 3.3Å; T33-K35 PolarHBondContact O-N 2.94Å; K35-H38 PolarHBondContact O-N 3.43Å; K35-V39 WeakPolarHBondContact O-CG2 3.49Å; K35-V39 PolarHBondContact O-N 3.21Å
36A92.8Very high90.1Very high0 Ų071.4 Ų71.40%035%0.349CS..Hα-helixtrans-61.6-47.7175.400000111.1G24 L27 Y28 Q32 T33 H38 V39 W40G24-A36 VanDerWaalsContact O-CB 3.3Å; G24-A36 WeakPolarHBondContact O-CB 3.46Å; L27-A36 HydrophobicContact CB-CB 3.98Å; Y28-A36 HydrophobicContact CD2-CB 4.23Å; Q32-A36 PolarHBondContact O-N 3.23Å; T33-A36 WeakPolarHBondContact O-CB 3.49Å; T33-A36 PolarHBondContact O-N 2.88Å; T33-A36 VanDerWaalsContact O-N 3.11Å; A36-H38 PolarHBondContact O-N 3.08Å; A36-V39 PolarHBondContact O-N 2.9Å; A36-W40 HydrophobicContact CB-CE3 4.3Å; A36-W40 HydrophobicContact CB-CH2 4.08Å; A36-W40 HydrophobicContact CB-CZ2 4.46Å; A36-W40 HydrophobicContact CB-CZ3 3.98Å; A36-W40 PolarHBondContact O-N 3.21Å
37L93.9Very high90.1Very high18 Ų1866 Ų669%0.09433%0.327CS..Hα-helixtrans-57.7-48.1175.1-67.7178.9000111.2T33 V39 W40 T41 L60 A63 M67T33-L37 HydrophobicContact CG2-CD1 4.23Å; T33-L37 HydrophobicContact CG2-CG 4.32Å; T33-L37 WeakPolarHBondContact O-CG 3.46Å; T33-L37 PolarHBondContact O-N 2.94Å; L37-V39 VanDerWaalsContact C-N 3.32Å; L37-V39 PolarHBondContact O-N 3.4Å; L37-W40 HydrophobicContact CD2-CE3 4.2Å; L37-W40 HydrophobicContact CD2-CZ3 4.39Å; L37-W40 PolarHBondContact O-N 3.48Å; L37-T41 PolarHBondContact O-N 3.03Å; L37-T41 PolarHBondContact O-OG1 2.81Å; L37-L60 HydrophobicContact CD2-CD2 3.79Å; L37-A63 HydrophobicContact CD2-CB 3.79Å; L37-M67 HydrophobicContact CD1-CE 4.24Å; L37-M67 HydrophobicContact CD1-SD 3.82Å
38H94.4Very high89.9Confident126 Ų12670.3 Ų70.358%0.58336%0.36SS*.Hα-helixtrans-58.3-42.8177.9-178.472.8000112.8D34 K35 A36 K42D34-H38 WeakPolarHBondContact O-CB 3.45Å; D34-H38 PolarHBondContact O-N 3.16Å; K35-H38 PolarHBondContact O-N 3.43Å; A36-H38 PolarHBondContact O-N 3.08Å; H38-K42 WeakPolarHBondContact O-CB 3.48Å; H38-K42 PolarHBondContact O-N 3.32Å; H38-K42 VanDerWaalsContact O-N 3.12Å
39V94Very high90Very high19 Ų1971.1 Ų71.112%0.11537%0.366CS..Hα-helixtrans-62.3-47.5176170.50000110.7Q20 L27 K35 A36 L37 K42 V43Q20-V39 HydrophobicContact CB-CG1 4.35Å; Q20-V39 VanDerWaalsContact O-CG1 3.32Å; Q20-V39 WeakPolarHBondContact O-CG1 3.34Å; L27-V39 HydrophobicContact CD1-CG2 4.06Å; K35-V39 WeakPolarHBondContact O-CG2 3.49Å; K35-V39 PolarHBondContact O-N 3.21Å; A36-V39 PolarHBondContact O-N 2.9Å; L37-V39 VanDerWaalsContact C-N 3.32Å; L37-V39 PolarHBondContact O-N 3.4Å; V39-K42 PolarHBondContact O-N 2.99Å; V39-V43 WeakPolarHBondContact O-CG2 3.5Å; V39-V43 PolarHBondContact O-N 3.09Å
40W95.1Very high90.4Very high0 Ų067.3 Ų67.30%035%0.353CS..Hα-helixtrans-66.8-40.5-179.1-68.9-33.4000113.3M1 I21 G24 L25 Y28 A36 L37 K42 V43 L44 V56 C59 L60 A63M1-W40 HydrophobicContact CE-CH2 4.38Å; I21-W40 PolarHBondContact O-NE1 3.45Å; G24-W40 VanDerWaalsContact C-CZ2 3.43Å; L25-W40 HydrophobicContact CD2-CH2 4.48Å; L25-W40 HydrophobicContact CD2-CZ2 3.85Å; L25-W40 HydrophobicContact CG-CZ2 4.06Å; Y28-W40 AromaticContact CD2-CH2 3.9Å; Y28-W40 HydrophobicContact CD2-CH2 3.9Å; Y28-W40 HydrophobicContact CD2-CZ3 4.02Å; Y28-W40 AromaticContact CG-CH2 3.83Å; Y28-W40 HydrophobicContact CG-CH2 3.83Å; Y28-W40 HydrophobicContact CG-CZ3 4.42Å; A36-W40 HydrophobicContact CB-CE3 4.3Å; A36-W40 HydrophobicContact CB-CH2 4.08Å; A36-W40 HydrophobicContact CB-CZ2 4.46Å; A36-W40 HydrophobicContact CB-CZ3 3.98Å; A36-W40 PolarHBondContact O-N 3.21Å; L37-W40 HydrophobicContact CD2-CE3 4.2Å; L37-W40 HydrophobicContact CD2-CZ3 4.39Å; L37-W40 PolarHBondContact O-N 3.48Å; W40-K42 VanDerWaalsContact C-N 3.32Å; W40-K42 PolarHBondContact O-N 3.49Å; W40-V43 PolarHBondContact O-N 3.02Å; W40-L44 WeakPolarHBondContact O-CB 3.35Å; W40-L44 PolarHBondContact O-N 3.39Å; W40-V56 HydrophobicContact CB-CG2 3.5Å; W40-V56 HydrophobicContact CG-CG2 3.87Å; W40-V56 VanDerWaalsContact O-CG2 3.27Å; W40-V56 WeakPolarHBondContact O-CG2 3.47Å; W40-C59 HydrophobicContact CD2-CB 3.83Å; W40-C59 HydrophobicContact CE3-CB 4.13Å; W40-C59 HydrophobicContact CG-CB 4.35Å; W40-C59 HydrophobicContact CH2-CB 4.13Å; W40-C59 HydrophobicContact CZ2-CB 3.82Å; W40-C59 HydrophobicContact CZ3-CB 4.29Å; W40-L60 HydrophobicContact CB-CD2 3.86Å; W40-L60 HydrophobicContact CB-CG 4.05Å; W40-L60 HydrophobicContact CE3-CD2 4.24Å; W40-A63 HydrophobicContact CZ3-CB 3.88Å
41T94.4Very high90.6Very high43 Ų4364 Ų6426%0.26433%0.331SS..Hα-helixtrans-61.4-42.3174.7-53.30000111.2L37 V43 L44 E45L37-T41 PolarHBondContact O-N 3.03Å; L37-T41 PolarHBondContact O-OG1 2.81Å; T41-V43 VanDerWaalsContact C-N 3.31Å; T41-V43 PolarHBondContact O-N 2.91Å; T41-L44 WeakPolarHBondContact O-CB 3.45Å; T41-L44 PolarHBondContact O-N 3.44Å; T41-E45 WeakPolarHBondContact O-CG 3.37Å; T41-E45 PolarHBondContact O-N 3.29Å
42K93.6Very high90.9Very high101 Ų10159.3 Ų59.344%0.43931%0.307SS..Hα-helixtrans-65.4-33.8176.5-173.4174.6-176.9173.50112.9H38 V39 W40 K46H38-K42 WeakPolarHBondContact O-CB 3.48Å; H38-K42 PolarHBondContact O-N 3.32Å; H38-K42 VanDerWaalsContact O-N 3.12Å; V39-K42 PolarHBondContact O-N 2.99Å; W40-K42 VanDerWaalsContact C-N 3.32Å; W40-K42 PolarHBondContact O-N 3.49Å; K42-K46 HydrophobicContact CG-CD 4.22Å; K42-K46 WeakPolarHBondContact O-CB 3.39Å; K42-K46 VanDerWaalsContact O-CG 3.29Å; K42-K46 WeakPolarHBondContact O-CG 3.49Å; K42-K46 PolarHBondContact O-N 2.9Å
43V91.9Very high91.2Very high13 Ų1358.1 Ų58.18%0.07930%0.301CS..Hα-helixtrans-67.1-45.7172.7169.40000110.2T17 Q20 I21 V39 W40 T41 E45 K46 T47 V56T17-V43 HydrophobicContact CG2-CG1 3.84Å; Q20-V43 HydrophobicContact CB-CG2 3.4Å; Q20-V43 VanDerWaalsContact CB-CG2 3.4Å; Q20-V43 HydrophobicContact CG-CG2 4.23Å; I21-V43 HydrophobicContact CG1-CG1 4.26Å; V39-V43 WeakPolarHBondContact O-CG2 3.5Å; V39-V43 PolarHBondContact O-N 3.09Å; W40-V43 PolarHBondContact O-N 3.02Å; T41-V43 VanDerWaalsContact C-N 3.31Å; T41-V43 PolarHBondContact O-N 2.91Å; V43-E45 VanDerWaalsContact C-N 3.32Å; V43-E45 PolarHBondContact O-N 2.84Å; V43-K46 PolarHBondContact O-N 3.21Å; V43-K46 VanDerWaalsContact O-N 3.16Å; V43-T47 WeakPolarHBondContact O-CB 3.33Å; V43-T47 WeakPolarHBondContact O-CG2 3.49Å; V43-T47 PolarHBondContact O-N 3.4Å; V43-V56 HydrophobicContact CB-CG2 4.18Å; V43-V56 HydrophobicContact CG1-CB 4.21Å; V43-V56 HydrophobicContact CG1-CG1 4.33Å; V43-V56 HydrophobicContact CG1-CG2 4.13Å
44L93.1Very high91.6Very high24 Ų2457 Ų5713%0.12629%0.293CS..Hα-helixtrans-58.3-41.7178.8-179.160.1000112.3W40 T41 K46 K53 V56 L57 L60 Y76W40-L44 WeakPolarHBondContact O-CB 3.35Å; W40-L44 PolarHBondContact O-N 3.39Å; T41-L44 WeakPolarHBondContact O-CB 3.45Å; T41-L44 PolarHBondContact O-N 3.44Å; L44-K46 VanDerWaalsContact C-N 3.31Å; L44-K46 PolarHBondContact O-N 3.02Å; L44-K53 HydrophobicContact CD1-CD 4.44Å; L44-K53 HydrophobicContact CD1-CG 3.75Å; L44-V56 HydrophobicContact CB-CG1 3.98Å; L44-V56 HydrophobicContact CD1-CG1 3.95Å; L44-L57 HydrophobicContact CD1-CD1 4.35Å; L44-L57 HydrophobicContact CD1-CD2 3.88Å; L44-L57 HydrophobicContact CD1-CG 3.92Å; L44-L57 HydrophobicContact CD2-CD2 3.76Å; L44-L57 HydrophobicContact CG-CD2 4.5Å; L44-L60 HydrophobicContact CD2-CD1 3.95Å; L44-Y76 HydrophobicContact CD2-CD1 4.42Å; L44-Y76 HydrophobicContact CD2-CE1 4.08Å
45E91.6Very high91.6Very high153 Ų15354 Ų5472%0.71527%0.273SS*.Hα-helixtrans-68.6-25.4178.3-72.2170.6-179.900114.2T41 V43T41-E45 WeakPolarHBondContact O-CG 3.37Å; T41-E45 PolarHBondContact O-N 3.29Å; V43-E45 VanDerWaalsContact C-N 3.32Å; V43-E45 PolarHBondContact O-N 2.84Å
46K89.8Confident91.7Very high150 Ų15048.1 Ų48.165%0.65225%0.247SC*.Hα-helixtrans-107.4-22.1-170.4-69-175.1177.4-148.30114.2K42 V43 L44 S48K42-K46 HydrophobicContact CG-CD 4.22Å; K42-K46 WeakPolarHBondContact O-CB 3.39Å; K42-K46 VanDerWaalsContact O-CG 3.29Å; K42-K46 WeakPolarHBondContact O-CG 3.49Å; K42-K46 PolarHBondContact O-N 2.9Å; V43-K46 PolarHBondContact O-N 3.21Å; V43-K46 VanDerWaalsContact O-N 3.16Å; L44-K46 VanDerWaalsContact C-N 3.31Å; L44-K46 PolarHBondContact O-N 3.02Å; K46-S48 PolarHBondContact O-N 3.09Å
47T87.4Confident91.9Very high22 Ų2248.1 Ų48.114%0.13525%0.247CC..  trans-75.2126.5-175.1-169.60000110.5V43 D49 K53V43-T47 WeakPolarHBondContact O-CB 3.33Å; V43-T47 WeakPolarHBondContact O-CG2 3.49Å; V43-T47 PolarHBondContact O-N 3.4Å; T47-D49 PolarHBondContact OG1-N 3.29Å; T47-D49 PolarHBondContact OG1-O 2.96Å; T47-K53 HydrophobicContact CG2-CB 3.85Å; T47-K53 HydrophobicContact CG2-CG 4.44Å
48S86.3Confident91.9Very high123 Ų12347.3 Ų47.386%0.8624%0.243SC*.  trans-94.5-7166.3590000112.3K46 P50K46-S48 PolarHBondContact O-N 3.09Å; S48-P50 WeakPolarHBondContact O-CD 3.47Å
49D88Confident91.9Very high39 Ų3941.3 Ų41.321%0.20922%0.215CC..  trans-81.5116.8177.8170.633.7000110.7T47 G51 G52 K53T47-D49 PolarHBondContact OG1-N 3.29Å; T47-D49 PolarHBondContact OG1-O 2.96Å; D49-G51 VanDerWaalsContact C-N 3.3Å; D49-G51 PolarHBondContact O-N 2.92Å; D49-G51 PolarHBondContact OD1-N 2.86Å; D49-G52 PolarHBondContact O-N 3.25Å; D49-G52 WeakPolarHBondContact OD2-CA 3.49Å; D49-G52 PolarHBondContact OD2-N 3.25Å; D49-K53 WeakPolarHBondContact O-CB 3.34Å; D49-K53 PolarHBondContact O-N 3.39Å
50P89.3Confident92Very high56 Ų5640.4 Ų40.436%0.36421%0.21SC..Hα-helixtrans-59.8-36.5178.1-24.735.4000113.3S48 K53 F54 T83 M87S48-P50 WeakPolarHBondContact O-CD 3.47Å; P50-K53 WeakPolarHBondContact O-CB 3.32Å; P50-K53 PolarHBondContact O-N 3.02Å; P50-F54 WeakPolarHBondContact O-CB 3.31Å; P50-F54 PolarHBondContact O-N 2.96Å; P50-T83 HydrophobicContact CB-CG2 4.33Å; P50-T83 WeakPolarHBondContact O-CG2 3.43Å; P50-M87 HydrophobicContact CB-CG 3.77Å; P50-M87 HydrophobicContact CB-SD 3.85Å
51G89.3Confident92.1Very high7 Ų740.5 Ų40.57%0.07221%0.21CC..Hα-helixtrans-68-44.5179.200000112.3D49 F54 R55D49-G51 VanDerWaalsContact C-N 3.3Å; D49-G51 PolarHBondContact O-N 2.92Å; D49-G51 PolarHBondContact OD1-N 2.86Å; G51-F54 PolarHBondContact O-N 3.28Å; G51-R55 VanDerWaalsContact O-CG 3.3Å; G51-R55 WeakPolarHBondContact O-CG 3.4Å; G51-R55 PolarHBondContact O-N 3.46Å; G51-R55 VanDerWaalsContact O-N 3.13Å
52G89.2Confident91.9Very high2 Ų240.3 Ų40.32%0.02121%0.209CC..Hα-helixtrans-60.8-43.4171.400000112.7D49 R55 V56D49-G52 PolarHBondContact O-N 3.25Å; D49-G52 WeakPolarHBondContact OD2-CA 3.49Å; D49-G52 PolarHBondContact OD2-N 3.25Å; G52-R55 PolarHBondContact O-N 3.19Å; G52-V56 PolarHBondContact O-N 2.96Å
53K93Very high91.8Very high53 Ų5335.5 Ų35.523%0.2319%0.188CC..Hα-helixtrans-57.9-50174.8-174.5176.2178.6-1730111.3L44 T47 D49 P50 R55 V56 L57 E79 T83L44-K53 HydrophobicContact CD1-CD 4.44Å; L44-K53 HydrophobicContact CD1-CG 3.75Å; T47-K53 HydrophobicContact CG2-CB 3.85Å; T47-K53 HydrophobicContact CG2-CG 4.44Å; D49-K53 WeakPolarHBondContact O-CB 3.34Å; D49-K53 PolarHBondContact O-N 3.39Å; P50-K53 WeakPolarHBondContact O-CB 3.32Å; P50-K53 PolarHBondContact O-N 3.02Å; K53-R55 VanDerWaalsContact C-N 3.32Å; K53-R55 PolarHBondContact O-N 3.32Å; K53-V56 VanDerWaalsContact O-CG1 3.25Å; K53-V56 WeakPolarHBondContact O-CG1 3.35Å; K53-V56 PolarHBondContact O-N 3.49Å; K53-L57 HydrophobicContact CG-CD1 3.95Å; K53-L57 VanDerWaalsContact O-CG 3.28Å; K53-L57 WeakPolarHBondContact O-CG 3.46Å; K53-L57 PolarHBondContact O-N 3.33Å; K53-E79 WeakPolarHBondContact CE-OE1 3.37Å; K53-E79 IonicContact NZ-OE1 2.95Å; K53-E79 PolarHBondContact NZ-OE1 3.32Å; K53-T83 HydrophobicContact CB-CG2 4.22Å; K53-T83 HydrophobicContact CD-CG2 4.1Å; K53-T83 WeakPolarHBondContact CE-OG1 3.19Å; K53-T83 HydrophobicContact CG-CG2 4.21Å
54F93.7Very high91.9Very high3 Ų335.5 Ų35.51%0.01319%0.187CC..Hα-helixtrans-58.3-43.5179.2-177.8-85000112.4P50 G51 L57 G58 Q80 T83 A84 Y92 E95P50-F54 WeakPolarHBondContact O-CB 3.31Å; P50-F54 PolarHBondContact O-N 2.96Å; G51-F54 PolarHBondContact O-N 3.28Å; F54-L57 PolarHBondContact O-N 3.42Å; F54-G58 PolarHBondContact O-N 2.87Å; F54-Q80 HydrophobicContact CD2-CG 3.47Å; F54-Q80 VanDerWaalsContact CD2-CG 3.47Å; F54-Q80 HydrophobicContact CE2-CG 3.39Å; F54-Q80 HydrophobicContact CG-CG 4.1Å; F54-Q80 HydrophobicContact CZ-CG 3.96Å; F54-Q80 PolarHBondContact O-NE2 2.9Å; F54-T83 HydrophobicContact CB-CG2 4.22Å; F54-A84 HydrophobicContact CD2-CB 4.11Å; F54-A84 HydrophobicContact CE2-CB 3.82Å; F54-Y92 HydrophobicContact CB-CD1 4.14Å; F54-Y92 HydrophobicContact CB-CE1 4.25Å; F54-Y92 AromaticContact CD1-CD1 3.38Å; F54-Y92 HydrophobicContact CD1-CD1 3.38Å; F54-Y92 AromaticContact CD1-CE1 3.68Å; F54-Y92 HydrophobicContact CD1-CE1 3.68Å; F54-Y92 AromaticContact CD2-CD1 3.76Å; F54-Y92 HydrophobicContact CD2-CD1 3.76Å; F54-Y92 AromaticContact CE1-CD1 3.58Å; F54-Y92 HydrophobicContact CE1-CD1 3.58Å; F54-Y92 HydrophobicContact CE1-CE1 4.17Å; F54-Y92 AromaticContact CE2-CD1 3.94Å; F54-Y92 HydrophobicContact CE2-CD1 3.94Å; F54-Y92 WeakPolarHBondContact CE2-O 3.43Å; F54-Y92 AromaticContact CG-CD1 3.47Å; F54-Y92 HydrophobicContact CG-CD1 3.47Å; F54-Y92 VanDerWaalsContact CG-CD1 3.47Å; F54-Y92 AromaticContact CG-CE1 3.94Å; F54-Y92 HydrophobicContact CG-CE1 3.94Å; F54-Y92 AromaticContact CZ-CD1 3.86Å; F54-Y92 HydrophobicContact CZ-CD1 3.86Å; F54-Y92 WeakPolarHBondContact CZ-O 3.24Å; F54-E95 HydrophobicContact CE1-CB 4.44Å; F54-E95 HydrophobicContact CE1-CG 4.21Å; F54-E95 HydrophobicContact CZ-CB 3.94Å; F54-E95 HydrophobicContact CZ-CG 3.97Å
55R91.3Very high91.8Very high58 Ų5835.7 Ų35.722%0.21919%0.191CC..Hα-helixtrans-67.7-42.2-179-71.5169-175.2164.71.5112.9R7 I21 G51 G52 K53 L57 G58 C59R7-R55 PolarHBondContact O-NH2 2.98Å; I21-R55 HydrophobicContact CD1-CB 4.11Å; G51-R55 VanDerWaalsContact O-CG 3.3Å; G51-R55 WeakPolarHBondContact O-CG 3.4Å; G51-R55 PolarHBondContact O-N 3.46Å; G51-R55 VanDerWaalsContact O-N 3.13Å; G52-R55 PolarHBondContact O-N 3.19Å; K53-R55 VanDerWaalsContact C-N 3.32Å; K53-R55 PolarHBondContact O-N 3.32Å; R55-L57 VanDerWaalsContact C-N 3.33Å; R55-G58 PolarHBondContact O-N 3.41Å; R55-C59 PolarHBondContact O-N 3.22Å; R55-C59 VanDerWaalsContact O-N 3.09Å; R55-C59 PolarHBondContact O-SG 3.42Å; R55-C59 VanDerWaalsContact O-SG 3.35Å
56V94.4Very high91.6Very high0 Ų031.2 Ų31.20%017%0.17CC..Hα-helixtrans-68.3-36.5179.173.40000111.2I21 W40 V43 L44 G52 K53 G58 C59 L60I21-V56 HydrophobicContact CD1-CB 4.26Å; I21-V56 HydrophobicContact CG1-CB 4.28Å; I21-V56 HydrophobicContact CG1-CG2 4.49Å; W40-V56 HydrophobicContact CB-CG2 3.5Å; W40-V56 HydrophobicContact CG-CG2 3.87Å; W40-V56 VanDerWaalsContact O-CG2 3.27Å; W40-V56 WeakPolarHBondContact O-CG2 3.47Å; V43-V56 HydrophobicContact CB-CG2 4.18Å; V43-V56 HydrophobicContact CG1-CB 4.21Å; V43-V56 HydrophobicContact CG1-CG1 4.33Å; V43-V56 HydrophobicContact CG1-CG2 4.13Å; L44-V56 HydrophobicContact CB-CG1 3.98Å; L44-V56 HydrophobicContact CD1-CG1 3.95Å; G52-V56 PolarHBondContact O-N 2.96Å; K53-V56 VanDerWaalsContact O-CG1 3.25Å; K53-V56 WeakPolarHBondContact O-CG1 3.35Å; K53-V56 PolarHBondContact O-N 3.49Å; V56-G58 VanDerWaalsContact C-N 3.34Å; V56-G58 PolarHBondContact O-N 3.24Å; V56-C59 WeakPolarHBondContact O-CB 3.35Å; V56-C59 PolarHBondContact O-N 2.98Å; V56-L60 WeakPolarHBondContact O-CG 3.5Å; V56-L60 PolarHBondContact O-N 2.89Å
57L95.9Very high91.5Very high0 Ų026.1 Ų26.10%015%0.149CC..Hα-helixtrans-60.1-43.9171.1-70.9167.4000111.1L44 K53 F54 R55 C59 L60 I61 Y76 E79 Q80L44-L57 HydrophobicContact CD1-CD1 4.35Å; L44-L57 HydrophobicContact CD1-CD2 3.88Å; L44-L57 HydrophobicContact CD1-CG 3.92Å; L44-L57 HydrophobicContact CD2-CD2 3.76Å; L44-L57 HydrophobicContact CG-CD2 4.5Å; K53-L57 HydrophobicContact CG-CD1 3.95Å; K53-L57 VanDerWaalsContact O-CG 3.28Å; K53-L57 WeakPolarHBondContact O-CG 3.46Å; K53-L57 PolarHBondContact O-N 3.33Å; F54-L57 PolarHBondContact O-N 3.42Å; R55-L57 VanDerWaalsContact C-N 3.33Å; L57-C59 VanDerWaalsContact C-N 3.29Å; L57-C59 PolarHBondContact O-N 3.27Å; L57-L60 PolarHBondContact O-N 3.14Å; L57-I61 WeakPolarHBondContact O-CD1 3.48Å; L57-I61 WeakPolarHBondContact O-CG1 3.44Å; L57-I61 PolarHBondContact O-N 3.34Å; L57-Y76 HydrophobicContact CD2-CD1 3.7Å; L57-Y76 HydrophobicContact CD2-CG 4.4Å; L57-E79 HydrophobicContact CD1-CB 4.19Å; L57-E79 HydrophobicContact CD1-CG 3.9Å; L57-E79 HydrophobicContact CD2-CB 4.14Å; L57-E79 HydrophobicContact CD2-CG 4.18Å; L57-Q80 HydrophobicContact CB-CB 3.93Å; L57-Q80 HydrophobicContact CB-CG 4.01Å; L57-Q80 HydrophobicContact CD1-CB 4.11Å
58G94.9Very high91.7Very high1 Ų125.2 Ų25.21%0.0114%0.144CC..Hα-helixtrans-57.3-39.4173.800000113.6F54 R55 V56 T62F54-G58 PolarHBondContact O-N 2.87Å; R55-G58 PolarHBondContact O-N 3.41Å; V56-G58 VanDerWaalsContact C-N 3.34Å; V56-G58 PolarHBondContact O-N 3.24Å; G58-T62 PolarHBondContact O-N 3.38Å; G58-T62 VanDerWaalsContact O-N 3.08Å; G58-T62 PolarHBondContact O-OG1 2.72Å
59C94.3Very high92.1Very high0 Ų023.5 Ų23.50%012%0.121CC..Hα-helixtrans-65.6-46.2176.3-65.30000111.3F4 W40 R55 V56 L57 T62 A63F4-C59 HydrophobicContact CZ-CB 4.43Å; F4-C59 VanDerWaalsContact CZ-SG 3.58Å; W40-C59 HydrophobicContact CD2-CB 3.83Å; W40-C59 HydrophobicContact CE3-CB 4.13Å; W40-C59 HydrophobicContact CG-CB 4.35Å; W40-C59 HydrophobicContact CH2-CB 4.13Å; W40-C59 HydrophobicContact CZ2-CB 3.82Å; W40-C59 HydrophobicContact CZ3-CB 4.29Å; R55-C59 PolarHBondContact O-N 3.22Å; R55-C59 VanDerWaalsContact O-N 3.09Å; R55-C59 PolarHBondContact O-SG 3.42Å; R55-C59 VanDerWaalsContact O-SG 3.35Å; V56-C59 WeakPolarHBondContact O-CB 3.35Å; V56-C59 PolarHBondContact O-N 2.98Å; L57-C59 VanDerWaalsContact C-N 3.29Å; L57-C59 PolarHBondContact O-N 3.27Å; C59-T62 PolarHBondContact O-N 3.44Å; C59-A63 WeakPolarHBondContact O-CB 3.12Å; C59-A63 PolarHBondContact O-N 3.06Å
60L95.8Very high92.4Very high0 Ų022.2 Ų22.20%011%0.113CC..Hα-helixtrans-61.3-46.9176.6-70.5167.1000111.3L37 W40 L44 V56 L57 T62 A63 H64 Y76L37-L60 HydrophobicContact CD2-CD2 3.79Å; W40-L60 HydrophobicContact CB-CD2 3.86Å; W40-L60 HydrophobicContact CB-CG 4.05Å; W40-L60 HydrophobicContact CE3-CD2 4.24Å; L44-L60 HydrophobicContact CD2-CD1 3.95Å; V56-L60 WeakPolarHBondContact O-CG 3.5Å; V56-L60 PolarHBondContact O-N 2.89Å; L57-L60 PolarHBondContact O-N 3.14Å; L60-T62 VanDerWaalsContact C-N 3.31Å; L60-T62 PolarHBondContact O-N 2.79Å; L60-A63 PolarHBondContact O-N 3.22Å; L60-H64 WeakPolarHBondContact O-CB 3.31Å; L60-H64 PolarHBondContact O-CD2 3.37Å; L60-H64 PolarHBondContact O-N 2.85Å; L60-Y76 HydrophobicContact CB-CD1 4.43Å; L60-Y76 HydrophobicContact CB-CD2 3.99Å; L60-Y76 HydrophobicContact CB-CE2 4.27Å; L60-Y76 HydrophobicContact CB-CG 4.09Å; L60-Y76 HydrophobicContact CD1-CD1 4.05Å; L60-Y76 HydrophobicContact CD1-CE1 3.82Å
61I96.5Very high92.7Very high2 Ų226.9 Ų26.91%0.0113%0.128CC..Hα-helixtrans-55.1-48.2176.6-68.5160.8000110.6L57 S65 M73 A77 Q80 N99L57-I61 WeakPolarHBondContact O-CD1 3.48Å; L57-I61 WeakPolarHBondContact O-CG1 3.44Å; L57-I61 PolarHBondContact O-N 3.34Å; I61-S65 WeakPolarHBondContact O-CB 3.47Å; I61-S65 PolarHBondContact O-N 3.42Å; I61-M73 HydrophobicContact CG2-CE 3.98Å; I61-M73 HydrophobicContact CG2-CG 3.81Å; I61-A77 HydrophobicContact CD1-CB 3.99Å; I61-A77 HydrophobicContact CG1-CB 4.32Å; I61-Q80 HydrophobicContact CD1-CB 3.99Å; I61-Q80 HydrophobicContact CD1-CG 4.38Å; I61-N99 HydrophobicContact CD1-CB 4.18Å; I61-N99 HydrophobicContact CG2-CB 4.23Å
62T91.8Very high93Very high39 Ų3929.5 Ų29.524%0.23914%0.14CC..Hα-helixtrans-60.6-49.3178.5-58.90000110.7M1 G58 C59 L60 H64 S65 E66M1-T62 HydrophobicContact CE-CG2 4.34Å; M1-T62 HydrophobicContact CG-CG2 4.3Å; G58-T62 PolarHBondContact O-N 3.38Å; G58-T62 VanDerWaalsContact O-N 3.08Å; G58-T62 PolarHBondContact O-OG1 2.72Å; C59-T62 PolarHBondContact O-N 3.44Å; L60-T62 VanDerWaalsContact C-N 3.31Å; L60-T62 PolarHBondContact O-N 2.79Å; T62-H64 PolarHBondContact O-N 2.88Å; T62-S65 VanDerWaalsContact O-CB 3.3Å; T62-S65 WeakPolarHBondContact O-CB 3.39Å; T62-S65 PolarHBondContact O-N 3.09Å; T62-E66 WeakPolarHBondContact O-CG 3.37Å; T62-E66 PolarHBondContact O-N 3.43Å; T62-E66 VanDerWaalsContact O-N 3.12Å
63A91.4Very high93.4Very high0 Ų029.6 Ų29.60%014%0.14CC..Hα-helixtrans-62.1-46.6-178.400000112.7Y28 L37 W40 C59 L60 S65 E66 M67Y28-A63 HydrophobicContact CD2-CB 4.28Å; Y28-A63 HydrophobicContact CE2-CB 3.58Å; Y28-A63 WeakPolarHBondContact OH-CA 3.42Å; L37-A63 HydrophobicContact CD2-CB 3.79Å; W40-A63 HydrophobicContact CZ3-CB 3.88Å; C59-A63 WeakPolarHBondContact O-CB 3.12Å; C59-A63 PolarHBondContact O-N 3.06Å; L60-A63 PolarHBondContact O-N 3.22Å; A63-S65 VanDerWaalsContact C-N 3.28Å; A63-S65 PolarHBondContact O-N 3.49Å; A63-E66 PolarHBondContact O-N 3.06Å; A63-M67 VanDerWaalsContact O-CG 3.29Å; A63-M67 WeakPolarHBondContact O-CG 3.34Å; A63-M67 PolarHBondContact O-N 3.42Å
64H93.1Very high93.6Very high13 Ų1328.9 Ų28.96%0.0614%0.139CC..Hα-helixtrans-65.2-31.6177-79.8-87.9000112.3L60 T62 G68 K69 D72 M73 Y76L60-H64 WeakPolarHBondContact O-CB 3.31Å; L60-H64 PolarHBondContact O-CD2 3.37Å; L60-H64 PolarHBondContact O-N 2.85Å; T62-H64 PolarHBondContact O-N 2.88Å; H64-G68 PolarHBondContact O-N 3.15Å; H64-K69 HydrophobicContact CB-CB 4.15Å; H64-K69 WeakPolarHBondContact ND1-CB 3.5Å; H64-K69 PolarHBondContact O-N 3Å; H64-D72 HydrophobicContact CB-CB 4.38Å; H64-D72 IonicContact CE1-OD2 3.38Å; H64-D72 WeakPolarHBondContact ND1-CB 3.35Å; H64-D72 IonicContact ND1-OD2 2.86Å; H64-D72 PolarHBondContact ND1-OD2 2.74Å; H64-M73 HydrophobicContact CB-CB 4.08Å; H64-Y76 AromaticContact CD2-CD2 3.9Å; H64-Y76 AromaticContact CD2-CE2 3.62Å; H64-Y76 AromaticContact NE2-CE2 3.45Å; H64-Y76 WeakPolarHBondContact NE2-CE2 3.42Å
65S91.6Very high93.8Very high28 Ų2834.9 Ų34.920%0.19617%0.165CC..Hα-helixtrans-61.7-46.5171.8-162.80000112I61 T62 A63 G68 Y70 M73I61-S65 WeakPolarHBondContact O-CB 3.47Å; I61-S65 PolarHBondContact O-N 3.42Å; T62-S65 VanDerWaalsContact O-CB 3.3Å; T62-S65 WeakPolarHBondContact O-CB 3.39Å; T62-S65 PolarHBondContact O-N 3.09Å; A63-S65 VanDerWaalsContact C-N 3.28Å; A63-S65 PolarHBondContact O-N 3.49Å; S65-G68 PolarHBondContact O-N 3.4Å; S65-Y70 WeakPolarHBondContact O-CE1 3.28Å; S65-M73 VanDerWaalsContact CB-SD 3.55Å; S65-M73 PolarHBondContact OG-SD 3.49Å
66E86.8Confident94.2Very high59 Ų5933.6 Ų33.628%0.27616%0.16SC..Hα-helixtrans-70.9-31.6-178.8-58.8-160.7149.400112.7Y28 T62 A63 G68 K214Y28-E66 WeakPolarHBondContact OH-CB 3.45Å; Y28-E66 PolarHBondContact OH-OE2 2.98Å; T62-E66 WeakPolarHBondContact O-CG 3.37Å; T62-E66 PolarHBondContact O-N 3.43Å; T62-E66 VanDerWaalsContact O-N 3.12Å; A63-E66 PolarHBondContact O-N 3.06Å; E66-G68 PolarHBondContact O-N 2.58Å; E66-K214 IonicContact OE1-NZ 2.77Å; E66-K214 PolarHBondContact OE1-NZ 3.31Å
67M88.3Confident94.3Very high44 Ų4433.6 Ų33.622%0.21716%0.16CC..THydrogen-bonded Turntrans-75.6-9174.4-64.4174.279.400113.6T33 L37 A63 K69T33-M67 HydrophobicContact CG2-CE 4.26Å; T33-M67 HydrophobicContact CG2-CG 4.32Å; T33-M67 HydrophobicContact CG2-SD 3.68Å; L37-M67 HydrophobicContact CD1-CE 4.24Å; L37-M67 HydrophobicContact CD1-SD 3.82Å; A63-M67 VanDerWaalsContact O-CG 3.29Å; A63-M67 WeakPolarHBondContact O-CG 3.34Å; A63-M67 PolarHBondContact O-N 3.42Å; M67-K69 VanDerWaalsContact C-N 3.28Å; M67-K69 HydrophobicContact CB-CD 4.45Å; M67-K69 HydrophobicContact CB-CG 4.17Å; M67-K69 HydrophobicContact CE-CD 4.23Å; M67-K69 PolarHBondContact O-N 3.33Å; M67-K69 HydrophobicContact SD-CD 4.46Å
68G91Very high94.4Very high2 Ų237.5 Ų37.52%0.02118%0.18CC..THydrogen-bonded Turntrans74.613.6-172.400000114.4H64 S65 E66 Y70 I290H64-G68 PolarHBondContact O-N 3.15Å; S65-G68 PolarHBondContact O-N 3.4Å; E66-G68 PolarHBondContact O-N 2.58Å; G68-Y70 PolarHBondContact O-N 3.16Å; G68-I290 WeakPolarHBondContact O-CA 3.48Å; G68-I290 WeakPolarHBondContact O-CB 3.31Å; G68-I290 WeakPolarHBondContact O-CG2 3.38Å
69K94.3Very high94.5Very high88 Ų8840.1 Ų40.138%0.38319%0.192SC..  trans-83.563.7176.9-67.6-176.6176.3-179.40110.6H64 M67 K71 D72 M73H64-K69 HydrophobicContact CB-CB 4.15Å; H64-K69 WeakPolarHBondContact ND1-CB 3.5Å; H64-K69 PolarHBondContact O-N 3Å; M67-K69 VanDerWaalsContact C-N 3.28Å; M67-K69 HydrophobicContact CB-CD 4.45Å; M67-K69 HydrophobicContact CB-CG 4.17Å; M67-K69 HydrophobicContact CE-CD 4.23Å; M67-K69 PolarHBondContact O-N 3.33Å; M67-K69 HydrophobicContact SD-CD 4.46Å; K69-K71 VanDerWaalsContact C-N 3.32Å; K69-K71 PolarHBondContact O-N 2.91Å; K69-D72 HydrophobicContact CB-CB 4.29Å; K69-D72 PolarHBondContact O-N 3.21Å; K69-M73 PolarHBondContact O-N 3.04Å
70Y95.4Very high94.7Very high11 Ų1140.1 Ų40.14%0.04319%0.192CC..Hα-helixtrans-67.5-27.1-169.3-57.1-35.6000114.6S65 G68 M73 L74 K106 P254 I290S65-Y70 WeakPolarHBondContact O-CE1 3.28Å; G68-Y70 PolarHBondContact O-N 3.16Å; Y70-M73 HydrophobicContact CD1-SD 4.29Å; Y70-M73 WeakPolarHBondContact O-CB 3.36Å; Y70-M73 PolarHBondContact O-N 3.07Å; Y70-L74 PolarHBondContact O-N 2.95Å; Y70-K106 HydrophobicContact CD1-CB 3.7Å; Y70-K106 HydrophobicContact CD1-CG 3.98Å; Y70-K106 HydrophobicContact CD2-CB 3.74Å; Y70-K106 HydrophobicContact CE1-CB 3.89Å; Y70-K106 HydrophobicContact CE1-CD 4.04Å; Y70-K106 HydrophobicContact CE1-CG 3.81Å; Y70-K106 HydrophobicContact CE2-CB 3.95Å; Y70-K106 HydrophobicContact CE2-CD 4.48Å; Y70-K106 HydrophobicContact CG-CB 3.63Å; Y70-K106 HydrophobicContact CG-CG 4.42Å; Y70-P254 WeakPolarHBondContact OH-CB 3.48Å; Y70-P254 WeakPolarHBondContact OH-CG 3.5Å; Y70-I290 HydrophobicContact CD2-CB 4.3Å; Y70-I290 WeakPolarHBondContact CD2-O 3.32Å; Y70-I290 HydrophobicContact CE2-CB 4.16Å; Y70-I290 HydrophobicContact CE2-CD1 4.09Å; Y70-I290 HydrophobicContact CE2-CG1 4.11Å
71K95.9Very high94.7Very high154 Ų15440.2 Ų40.267%0.6719%0.193SC*.Hα-helixtrans-66.3-44173.5-66.9-177.7-178.9175.90111.7K69 L74 K75 L107K69-K71 VanDerWaalsContact C-N 3.32Å; K69-K71 PolarHBondContact O-N 2.91Å; K71-L74 PolarHBondContact O-N 3.02Å; K71-K75 PolarHBondContact O-N 3.23Å; K71-L107 HydrophobicContact CG-CD2 4.37Å
72D95.7Very high94.6Very high63 Ų6343.7 Ų43.734%0.33721%0.212SC..Hα-helixtrans-67.8-40.4175.1-62.8-33000111.1H64 K69 L74 K75 Y76H64-D72 HydrophobicContact CB-CB 4.38Å; H64-D72 IonicContact CE1-OD2 3.38Å; H64-D72 WeakPolarHBondContact ND1-CB 3.35Å; H64-D72 IonicContact ND1-OD2 2.86Å; H64-D72 PolarHBondContact ND1-OD2 2.74Å; K69-D72 HydrophobicContact CB-CB 4.29Å; K69-D72 PolarHBondContact O-N 3.21Å; D72-L74 VanDerWaalsContact C-N 3.29Å; D72-L74 PolarHBondContact O-N 3.44Å; D72-K75 WeakPolarHBondContact O-CB 3.42Å; D72-K75 PolarHBondContact O-N 2.71Å; D72-K75 VanDerWaalsContact O-N 3.13Å; D72-Y76 HydrophobicContact CB-CE2 4.3Å; D72-Y76 WeakPolarHBondContact O-CD2 3.5Å; D72-Y76 PolarHBondContact O-N 2.84Å
73M96.8Very high94.8Very high4 Ų441.9 Ų41.92%0.0220%0.2CC..Hα-helixtrans-53-48172.7-177.3-168.7170.600111.1I61 H64 S65 K69 Y70 Y76 A77 R102 S103 K106I61-M73 HydrophobicContact CG2-CE 3.98Å; I61-M73 HydrophobicContact CG2-CG 3.81Å; H64-M73 HydrophobicContact CB-CB 4.08Å; S65-M73 VanDerWaalsContact CB-SD 3.55Å; S65-M73 PolarHBondContact OG-SD 3.49Å; K69-M73 PolarHBondContact O-N 3.04Å; Y70-M73 HydrophobicContact CD1-SD 4.29Å; Y70-M73 WeakPolarHBondContact O-CB 3.36Å; Y70-M73 PolarHBondContact O-N 3.07Å; M73-Y76 PolarHBondContact O-N 3.24Å; M73-A77 WeakPolarHBondContact O-CB 3.44Å; M73-A77 PolarHBondContact O-N 3.47Å; M73-R102 HydrophobicContact CE-CB 3.9Å; M73-S103 WeakPolarHBondContact CE-OG 3.32Å; M73-K106 HydrophobicContact SD-CG 4.44Å
74L97.8Very high94.8Very high38 Ų3841.9 Ų41.920%0.19920%0.2CC..Hα-helixtrans-64.3-42.2176.6179.561.8000112.1Y70 K71 D72 Y76 A77 L78 L100 L107Y70-L74 PolarHBondContact O-N 2.95Å; K71-L74 PolarHBondContact O-N 3.02Å; D72-L74 VanDerWaalsContact C-N 3.29Å; D72-L74 PolarHBondContact O-N 3.44Å; L74-Y76 PolarHBondContact O-N 3.42Å; L74-A77 PolarHBondContact O-N 3.5Å; L74-L78 HydrophobicContact CD1-CD1 4.47Å; L74-L78 HydrophobicContact CD1-CG 4.34Å; L74-L78 HydrophobicContact CG-CD1 4.19Å; L74-L78 WeakPolarHBondContact O-CG 3.47Å; L74-L78 PolarHBondContact O-N 3.05Å; L74-L100 HydrophobicContact CD1-CD2 4.06Å; L74-L107 HydrophobicContact CB-CD1 4.06Å; L74-L107 HydrophobicContact CD2-CD1 3.69Å; L74-L107 HydrophobicContact CG-CD1 4.47Å
75K97.9Very high94.8Very high128 Ų12847 Ų4756%0.55722%0.219SC*.Hα-helixtrans-56.2-49.5177.1-179.5-173.5173.8-174.30111.3K71 D72 L78 E79K71-K75 PolarHBondContact O-N 3.23Å; D72-K75 WeakPolarHBondContact O-CB 3.42Å; D72-K75 PolarHBondContact O-N 2.71Å; D72-K75 VanDerWaalsContact O-N 3.13Å; K75-L78 PolarHBondContact O-N 3.17Å; K75-E79 PolarHBondContact O-N 3.46Å
76Y98.1Very high94.9Very high32 Ų3252.3 Ų52.313%0.12524%0.241CC..Hα-helixtrans-69.4-32.9178.5-67.2-60.1000112.6L44 L57 L60 H64 D72 M73 L74 L78 E79 Q80L44-Y76 HydrophobicContact CD2-CD1 4.42Å; L44-Y76 HydrophobicContact CD2-CE1 4.08Å; L57-Y76 HydrophobicContact CD2-CD1 3.7Å; L57-Y76 HydrophobicContact CD2-CG 4.4Å; L60-Y76 HydrophobicContact CB-CD1 4.43Å; L60-Y76 HydrophobicContact CB-CD2 3.99Å; L60-Y76 HydrophobicContact CB-CE2 4.27Å; L60-Y76 HydrophobicContact CB-CG 4.09Å; L60-Y76 HydrophobicContact CD1-CD1 4.05Å; L60-Y76 HydrophobicContact CD1-CE1 3.82Å; H64-Y76 AromaticContact CD2-CD2 3.9Å; H64-Y76 AromaticContact CD2-CE2 3.62Å; H64-Y76 AromaticContact NE2-CE2 3.45Å; H64-Y76 WeakPolarHBondContact NE2-CE2 3.42Å; D72-Y76 HydrophobicContact CB-CE2 4.3Å; D72-Y76 WeakPolarHBondContact O-CD2 3.5Å; D72-Y76 PolarHBondContact O-N 2.84Å; M73-Y76 PolarHBondContact O-N 3.24Å; L74-Y76 PolarHBondContact O-N 3.42Å; Y76-L78 VanDerWaalsContact C-N 3.34Å; Y76-E79 PolarHBondContact O-N 3.47Å; Y76-Q80 VanDerWaalsContact O-CB 3.3Å; Y76-Q80 WeakPolarHBondContact O-CB 3.46Å; Y76-Q80 PolarHBondContact O-N 3.21Å
77A98Very high95Very high0 Ų052.1 Ų52.10%024%0.241CC..Hα-helixtrans-66-34.9174.400000112.7I61 M73 L74 Q80 I81 N99 L100I61-A77 HydrophobicContact CD1-CB 3.99Å; I61-A77 HydrophobicContact CG1-CB 4.32Å; M73-A77 WeakPolarHBondContact O-CB 3.44Å; M73-A77 PolarHBondContact O-N 3.47Å; L74-A77 PolarHBondContact O-N 3.5Å; A77-Q80 PolarHBondContact O-N 3.23Å; A77-I81 PolarHBondContact O-N 3.39Å; A77-N99 HydrophobicContact CB-CB 4.34Å; A77-L100 HydrophobicContact CB-CD2 3.87Å; A77-L100 HydrophobicContact CB-CG 4.34Å
78L98.3Very high95Very high81 Ų8158 Ų5842%0.42427%0.268SS..Hα-helixtrans-64.7-47.7172.6-72.3166000111.2L74 K75 Y76 Q80 I81 D82 L100L74-L78 HydrophobicContact CD1-CD1 4.47Å; L74-L78 HydrophobicContact CD1-CG 4.34Å; L74-L78 HydrophobicContact CG-CD1 4.19Å; L74-L78 WeakPolarHBondContact O-CG 3.47Å; L74-L78 PolarHBondContact O-N 3.05Å; K75-L78 PolarHBondContact O-N 3.17Å; Y76-L78 VanDerWaalsContact C-N 3.34Å; L78-Q80 VanDerWaalsContact C-N 3.26Å; L78-Q80 PolarHBondContact O-N 2.94Å; L78-I81 WeakPolarHBondContact O-CG2 3.39Å; L78-I81 PolarHBondContact O-N 3.13Å; L78-D82 PolarHBondContact O-N 3.02Å; L78-L100 HydrophobicContact CD2-CD2 3.75Å; L78-L100 HydrophobicContact CG-CD2 3.97Å
79E97.2Very high94.8Very high57 Ų5760.6 Ų60.627%0.26628%0.281SS..Hα-helixtrans-63.1-34.6175.8-167.8-179.7165.300112.3K53 L57 K75 Y76 D82 T83K53-E79 WeakPolarHBondContact CE-OE1 3.37Å; K53-E79 IonicContact NZ-OE1 2.95Å; K53-E79 PolarHBondContact NZ-OE1 3.32Å; L57-E79 HydrophobicContact CD1-CB 4.19Å; L57-E79 HydrophobicContact CD1-CG 3.9Å; L57-E79 HydrophobicContact CD2-CB 4.14Å; L57-E79 HydrophobicContact CD2-CG 4.18Å; K75-E79 PolarHBondContact O-N 3.46Å; Y76-E79 PolarHBondContact O-N 3.47Å; E79-D82 PolarHBondContact O-N 3.02Å; E79-T83 PolarHBondContact O-N 2.82Å; E79-T83 PolarHBondContact O-OG1 3.36Å
80Q96.6Very high94.4Very high0 Ų059.5 Ų59.50%028%0.283CS..Hα-helixtrans-68-41.3178.8-166-174.240.700111.8F54 L57 I61 Y76 A77 L78 D82 T83 A84 N99F54-Q80 HydrophobicContact CD2-CG 3.47Å; F54-Q80 VanDerWaalsContact CD2-CG 3.47Å; F54-Q80 HydrophobicContact CE2-CG 3.39Å; F54-Q80 HydrophobicContact CG-CG 4.1Å; F54-Q80 HydrophobicContact CZ-CG 3.96Å; F54-Q80 PolarHBondContact O-NE2 2.9Å; L57-Q80 HydrophobicContact CB-CB 3.93Å; L57-Q80 HydrophobicContact CB-CG 4.01Å; L57-Q80 HydrophobicContact CD1-CB 4.11Å; I61-Q80 HydrophobicContact CD1-CB 3.99Å; I61-Q80 HydrophobicContact CD1-CG 4.38Å; Y76-Q80 VanDerWaalsContact O-CB 3.3Å; Y76-Q80 WeakPolarHBondContact O-CB 3.46Å; Y76-Q80 PolarHBondContact O-N 3.21Å; A77-Q80 PolarHBondContact O-N 3.23Å; L78-Q80 VanDerWaalsContact C-N 3.26Å; L78-Q80 PolarHBondContact O-N 2.94Å; Q80-D82 VanDerWaalsContact C-N 3.33Å; Q80-T83 PolarHBondContact O-N 3.38Å; Q80-A84 WeakPolarHBondContact O-CB 3.25Å; Q80-A84 PolarHBondContact O-N 3.49Å; Q80-N99 PolarHBondContact OE1-ND2 3.35Å
81I96Very high94Very high1 Ų160.8 Ų60.81%0.00529%0.29CS..Hα-helixtrans-68.6-34.6177.4-169.160.8000111.8A77 L78 A84 R85 L93 Y97 L100A77-I81 PolarHBondContact O-N 3.39Å; L78-I81 WeakPolarHBondContact O-CG2 3.39Å; L78-I81 PolarHBondContact O-N 3.13Å; I81-A84 HydrophobicContact CD1-CB 4.39Å; I81-A84 WeakPolarHBondContact O-CB 3.17Å; I81-A84 PolarHBondContact O-N 3.14Å; I81-R85 VanDerWaalsContact O-CG 3.31Å; I81-R85 WeakPolarHBondContact O-CG 3.5Å; I81-R85 PolarHBondContact O-N 3.48Å; I81-L93 HydrophobicContact CD1-CD2 3.97Å; I81-Y97 HydrophobicContact CD1-CD1 4.18Å; I81-Y97 HydrophobicContact CD1-CD2 3.82Å; I81-Y97 HydrophobicContact CD1-CE1 4.2Å; I81-Y97 HydrophobicContact CD1-CE2 3.87Å; I81-Y97 HydrophobicContact CD1-CG 3.98Å; I81-Y97 HydrophobicContact CG1-CD1 4.49Å; I81-Y97 HydrophobicContact CG1-CE1 4.26Å; I81-L100 HydrophobicContact CB-CD1 3.91Å; I81-L100 HydrophobicContact CG1-CD1 4.07Å; I81-L100 HydrophobicContact CG2-CD1 3.71Å; I81-L100 HydrophobicContact CG2-CG 4.4Å
82D95.8Very high93.8Very high76 Ų7655.7 Ų55.741%0.40627%0.267SS..Hα-helixtrans-68-42.2178-68.3-25.6000110.3L78 E79 Q80 A84 R85 E86L78-D82 PolarHBondContact O-N 3.02Å; E79-D82 PolarHBondContact O-N 3.02Å; Q80-D82 VanDerWaalsContact C-N 3.33Å; D82-A84 VanDerWaalsContact C-N 3.31Å; D82-A84 PolarHBondContact O-N 3.38Å; D82-R85 WeakPolarHBondContact O-CB 3.48Å; D82-R85 PolarHBondContact O-N 3.31Å; D82-R85 IonicContact OD1-NH1 2.69Å; D82-R85 PolarHBondContact OD1-NH1 3.27Å; D82-E86 WeakPolarHBondContact O-CG 3.44Å; D82-E86 PolarHBondContact O-N 2.9Å; D82-E86 VanDerWaalsContact O-N 3.12Å
83T94.1Very high93.6Very high1 Ų154.3 Ų54.31%0.00626%0.26CS..Hα-helixtrans-59.3-41.7171.2-51.90000111.5P50 K53 F54 E79 Q80 R85 E86 M87P50-T83 HydrophobicContact CB-CG2 4.33Å; P50-T83 WeakPolarHBondContact O-CG2 3.43Å; K53-T83 HydrophobicContact CB-CG2 4.22Å; K53-T83 HydrophobicContact CD-CG2 4.1Å; K53-T83 WeakPolarHBondContact CE-OG1 3.19Å; K53-T83 HydrophobicContact CG-CG2 4.21Å; F54-T83 HydrophobicContact CB-CG2 4.22Å; E79-T83 PolarHBondContact O-N 2.82Å; E79-T83 PolarHBondContact O-OG1 3.36Å; Q80-T83 PolarHBondContact O-N 3.38Å; T83-R85 VanDerWaalsContact C-N 3.34Å; T83-R85 PolarHBondContact O-N 2.97Å; T83-E86 PolarHBondContact O-N 2.98Å; T83-M87 HydrophobicContact CG2-SD 4.41Å; T83-M87 WeakPolarHBondContact O-CG 3.18Å; T83-M87 PolarHBondContact O-N 2.97Å
84A92.8Very high93.3Very high0 Ų054.1 Ų54.10%026%0.259CS..Hα-helixtrans-65.6-34.9177.700000113.4F54 Q80 I81 D82 M87 E88 L93F54-A84 HydrophobicContact CD2-CB 4.11Å; F54-A84 HydrophobicContact CE2-CB 3.82Å; Q80-A84 WeakPolarHBondContact O-CB 3.25Å; Q80-A84 PolarHBondContact O-N 3.49Å; I81-A84 HydrophobicContact CD1-CB 4.39Å; I81-A84 WeakPolarHBondContact O-CB 3.17Å; I81-A84 PolarHBondContact O-N 3.14Å; D82-A84 VanDerWaalsContact C-N 3.31Å; D82-A84 PolarHBondContact O-N 3.38Å; A84-M87 PolarHBondContact O-N 3.42Å; A84-E88 PolarHBondContact O-N 2.95Å; A84-L93 HydrophobicContact CB-CD2 4.05Å; A84-L93 HydrophobicContact CB-CG 4.45Å
85R93.6Very high93.1Very high120 Ų12053.8 Ų53.845%0.45326%0.256SS..Hα-helixtrans-66.3-39.9175.7-73.4165.5175.7164.6-5.3111.7I81 D82 T83 M87 E88 L93I81-R85 VanDerWaalsContact O-CG 3.31Å; I81-R85 WeakPolarHBondContact O-CG 3.5Å; I81-R85 PolarHBondContact O-N 3.48Å; D82-R85 WeakPolarHBondContact O-CB 3.48Å; D82-R85 PolarHBondContact O-N 3.31Å; D82-R85 IonicContact OD1-NH1 2.69Å; D82-R85 PolarHBondContact OD1-NH1 3.27Å; T83-R85 VanDerWaalsContact C-N 3.34Å; T83-R85 PolarHBondContact O-N 2.97Å; R85-M87 PolarHBondContact O-N 3.1Å; R85-E88 WeakPolarHBondContact O-CG 3.36Å; R85-E88 PolarHBondContact O-N 3.41Å; R85-L93 HydrophobicContact CG-CD2 3.78Å
86E92.6Very high92.9Very high139 Ų13947.7 Ų47.765%0.6523%0.23SC*.Hα-helixtrans-62.9-30.3174.9-68.4170.7-177.400112.6D82 T83D82-E86 WeakPolarHBondContact O-CG 3.44Å; D82-E86 PolarHBondContact O-N 2.9Å; D82-E86 VanDerWaalsContact O-N 3.12Å; T83-E86 PolarHBondContact O-N 2.98Å
87M90.1Very high92.8Very high55 Ų5548 Ų4827%0.27123%0.231SC..Hα-helixtrans-81.1-15.8179.3-66.1177.567.600113.7P50 T83 A84 R85 D89 Y92P50-M87 HydrophobicContact CB-CG 3.77Å; P50-M87 HydrophobicContact CB-SD 3.85Å; T83-M87 HydrophobicContact CG2-SD 4.41Å; T83-M87 WeakPolarHBondContact O-CG 3.18Å; T83-M87 PolarHBondContact O-N 2.97Å; A84-M87 PolarHBondContact O-N 3.42Å; R85-M87 PolarHBondContact O-N 3.1Å; M87-D89 PolarHBondContact O-N 3.14Å; M87-Y92 HydrophobicContact CE-CD1 4.04Å; M87-Y92 HydrophobicContact CE-CD2 3.87Å; M87-Y92 HydrophobicContact CE-CE1 3.76Å; M87-Y92 HydrophobicContact CE-CE2 3.52Å; M87-Y92 HydrophobicContact CE-CG 4.09Å; M87-Y92 VanDerWaalsContact CE-CZ 3.46Å; M87-Y92 HydrophobicContact SD-CD1 4.13Å; M87-Y92 HydrophobicContact SD-CE1 4.27Å; M87-Y92 HydrophobicContact SD-CG 4.29Å
88E88.1Confident92.7Very high168 Ų16848 Ų4879%0.78523%0.231SC*.THydrogen-bonded Turntrans51.622.5-177.7-60-172.9170.300115.1A84 R85A84-E88 PolarHBondContact O-N 2.95Å; R85-E88 WeakPolarHBondContact O-CG 3.36Å; R85-E88 PolarHBondContact O-N 3.41Å
89D86Confident92.7Very high57 Ų5744.6 Ų44.631%0.30521%0.213SC..  trans-99.3120.3-178.4-176.4-38.1000110.9M87 D91 Y92 L93M87-D89 PolarHBondContact O-N 3.14Å; D89-D91 PolarHBondContact O-N 3.38Å; D89-D91 WeakPolarHBondContact OD1-CB 3.44Å; D89-D91 PolarHBondContact OD1-N 3.26Å; D89-Y92 HydrophobicContact CB-CD2 3.58Å; D89-Y92 HydrophobicContact CB-CE2 4.3Å; D89-Y92 HydrophobicContact CB-CG 4.48Å; D89-Y92 VanDerWaalsContact CG-CD2 3.47Å; D89-Y92 PolarHBondContact O-N 3.25Å; D89-L93 WeakPolarHBondContact O-CG 3.24Å; D89-L93 PolarHBondContact O-N 2.95Å
90P86.6Confident92.7Very high65 Ų6542 Ų4242%0.42220%0.201SC..Hα-helixtrans-58.8-26.7-178.9-24.333.9000115.1T94 T126P90-T94 WeakPolarHBondContact O-CB 3.45Å; P90-T94 PolarHBondContact O-N 2.95Å; P90-T94 PolarHBondContact O-OG1 2.85Å; P90-T126 HydrophobicContact CB-CG2 4.02Å
91D86.9Confident92.8Very high37 Ų3742 Ų4220%0.19820%0.201CC..Hα-helixtrans-70-47177.6-78.4-19.5000111D89 L93 T94 E95 T126 V128D89-D91 PolarHBondContact O-N 3.38Å; D89-D91 WeakPolarHBondContact OD1-CB 3.44Å; D89-D91 PolarHBondContact OD1-N 3.26Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-T94 PolarHBondContact O-N 3.45Å; D91-E95 PolarHBondContact O-N 3.29Å; D91-E95 VanDerWaalsContact O-N 3.1Å; D91-T126 WeakPolarHBondContact OD1-CB 3.41Å; D91-T126 WeakPolarHBondContact OD1-CG2 3.34Å; D91-T126 PolarHBondContact OD1-OG1 2.92Å; D91-V128 HydrophobicContact CB-CB 3.95Å; D91-V128 HydrophobicContact CB-CG2 3.86Å; D91-V128 WeakPolarHBondContact OD1-CB 3.46Å; D91-V128 WeakPolarHBondContact OD2-CG2 3.38Å
92Y90.5Very high92.9Very high47 Ų4743.6 Ų43.618%0.18421%0.207CC..Hα-helixtrans-65.1-39.4176.5-71.2-88000111.5F54 M87 D89 E95 G96F54-Y92 HydrophobicContact CB-CD1 4.14Å; F54-Y92 HydrophobicContact CB-CE1 4.25Å; F54-Y92 AromaticContact CD1-CD1 3.38Å; F54-Y92 HydrophobicContact CD1-CD1 3.38Å; F54-Y92 AromaticContact CD1-CE1 3.68Å; F54-Y92 HydrophobicContact CD1-CE1 3.68Å; F54-Y92 AromaticContact CD2-CD1 3.76Å; F54-Y92 HydrophobicContact CD2-CD1 3.76Å; F54-Y92 AromaticContact CE1-CD1 3.58Å; F54-Y92 HydrophobicContact CE1-CD1 3.58Å; F54-Y92 HydrophobicContact CE1-CE1 4.17Å; F54-Y92 AromaticContact CE2-CD1 3.94Å; F54-Y92 HydrophobicContact CE2-CD1 3.94Å; F54-Y92 WeakPolarHBondContact CE2-O 3.43Å; F54-Y92 AromaticContact CG-CD1 3.47Å; F54-Y92 HydrophobicContact CG-CD1 3.47Å; F54-Y92 VanDerWaalsContact CG-CD1 3.47Å; F54-Y92 AromaticContact CG-CE1 3.94Å; F54-Y92 HydrophobicContact CG-CE1 3.94Å; F54-Y92 AromaticContact CZ-CD1 3.86Å; F54-Y92 HydrophobicContact CZ-CD1 3.86Å; F54-Y92 WeakPolarHBondContact CZ-O 3.24Å; M87-Y92 HydrophobicContact CE-CD1 4.04Å; M87-Y92 HydrophobicContact CE-CD2 3.87Å; M87-Y92 HydrophobicContact CE-CE1 3.76Å; M87-Y92 HydrophobicContact CE-CE2 3.52Å; M87-Y92 HydrophobicContact CE-CG 4.09Å; M87-Y92 VanDerWaalsContact CE-CZ 3.46Å; M87-Y92 HydrophobicContact SD-CD1 4.13Å; M87-Y92 HydrophobicContact SD-CE1 4.27Å; M87-Y92 HydrophobicContact SD-CG 4.29Å; D89-Y92 HydrophobicContact CB-CD2 3.58Å; D89-Y92 HydrophobicContact CB-CE2 4.3Å; D89-Y92 HydrophobicContact CB-CG 4.48Å; D89-Y92 VanDerWaalsContact CG-CD2 3.47Å; D89-Y92 PolarHBondContact O-N 3.25Å; Y92-E95 PolarHBondContact O-N 3.33Å; Y92-G96 PolarHBondContact O-N 3.39Å
93L91.7Very high93Very high34 Ų3440 Ų4018%0.17819%0.188CC..Hα-helixtrans-61.4-45.1174.9-73.9171.5000111.5I81 A84 R85 D89 D91 G96 Y97 M123I81-L93 HydrophobicContact CD1-CD2 3.97Å; A84-L93 HydrophobicContact CB-CD2 4.05Å; A84-L93 HydrophobicContact CB-CG 4.45Å; R85-L93 HydrophobicContact CG-CD2 3.78Å; D89-L93 WeakPolarHBondContact O-CG 3.24Å; D89-L93 PolarHBondContact O-N 2.95Å; D91-L93 VanDerWaalsContact C-N 3.34Å; L93-G96 PolarHBondContact O-N 2.97Å; L93-Y97 HydrophobicContact CB-CD2 4.49Å; L93-Y97 HydrophobicContact CD2-CE2 4.37Å; L93-Y97 WeakPolarHBondContact O-CD2 3.34Å; L93-Y97 PolarHBondContact O-N 3.4Å; L93-M123 HydrophobicContact CB-SD 4.19Å
94T91.3Very high93.2Very high0 Ų040.2 Ų40.20%019%0.189CC..Hα-helixtrans-60.7-46.6178.9-60.20000111.9P90 D91 L98 L132P90-T94 WeakPolarHBondContact O-CB 3.45Å; P90-T94 PolarHBondContact O-N 2.95Å; P90-T94 PolarHBondContact O-OG1 2.85Å; D91-T94 PolarHBondContact O-N 3.45Å; T94-L98 WeakPolarHBondContact O-CB 3.37Å; T94-L98 PolarHBondContact O-N 3.48Å; T94-L132 HydrophobicContact CG2-CD1 4.49Å
95E92.4Very high93.4Very high32 Ų3241.3 Ų41.315%0.1519%0.194CC..Hα-helixtrans-66-42.3176.5179178168.300112.1F54 D91 Y92 Y97 L98 N99 L132F54-E95 HydrophobicContact CE1-CB 4.44Å; F54-E95 HydrophobicContact CE1-CG 4.21Å; F54-E95 HydrophobicContact CZ-CB 3.94Å; F54-E95 HydrophobicContact CZ-CG 3.97Å; D91-E95 PolarHBondContact O-N 3.29Å; D91-E95 VanDerWaalsContact O-N 3.1Å; Y92-E95 PolarHBondContact O-N 3.33Å; E95-Y97 PolarHBondContact O-N 3.08Å; E95-L98 PolarHBondContact O-N 3.26Å; E95-N99 PolarHBondContact O-N 2.99Å; E95-L132 HydrophobicContact CB-CD1 3.95Å; E95-L132 HydrophobicContact CG-CD1 4.45Å
96G94.8Very high93.5Very high0 Ų039.2 Ų39.20%019%0.188CC..Hα-helixtrans-59.1-47.5177.100000112.5Y92 L93 L98 N99 L100Y92-G96 PolarHBondContact O-N 3.39Å; L93-G96 PolarHBondContact O-N 2.97Å; G96-L98 VanDerWaalsContact C-N 3.34Å; G96-L98 PolarHBondContact O-N 3.18Å; G96-N99 PolarHBondContact O-N 2.99Å; G96-L100 PolarHBondContact O-N 3.11Å
97Y96Very high93.7Very high38 Ų3833.9 Ų33.915%0.14916%0.164CC..Hα-helixtrans-65.3-35.7176.5-79.7-62.6000112.5I81 L93 E95 L100 A101 Y116 T119 C120 M123I81-Y97 HydrophobicContact CD1-CD1 4.18Å; I81-Y97 HydrophobicContact CD1-CD2 3.82Å; I81-Y97 HydrophobicContact CD1-CE1 4.2Å; I81-Y97 HydrophobicContact CD1-CE2 3.87Å; I81-Y97 HydrophobicContact CD1-CG 3.98Å; I81-Y97 HydrophobicContact CG1-CD1 4.49Å; I81-Y97 HydrophobicContact CG1-CE1 4.26Å; L93-Y97 HydrophobicContact CB-CD2 4.49Å; L93-Y97 HydrophobicContact CD2-CE2 4.37Å; L93-Y97 WeakPolarHBondContact O-CD2 3.34Å; L93-Y97 PolarHBondContact O-N 3.4Å; E95-Y97 PolarHBondContact O-N 3.08Å; Y97-L100 HydrophobicContact CD1-CD1 4.2Å; Y97-L100 PolarHBondContact O-N 3.39Å; Y97-A101 WeakPolarHBondContact O-CB 3.3Å; Y97-A101 PolarHBondContact O-N 2.93Å; Y97-Y116 AromaticContact CD1-CD1 3.68Å; Y97-Y116 HydrophobicContact CD1-CD1 3.68Å; Y97-Y116 HydrophobicContact CD1-CE1 4.24Å; Y97-Y116 HydrophobicContact CD1-CG 4.48Å; Y97-Y116 HydrophobicContact CE1-CD1 4.06Å; Y97-Y116 HydrophobicContact CE1-CE1 4.27Å; Y97-T119 HydrophobicContact CD1-CG2 4.39Å; Y97-T119 HydrophobicContact CD2-CG2 3.95Å; Y97-T119 HydrophobicContact CE1-CG2 4.32Å; Y97-T119 HydrophobicContact CE2-CG2 3.85Å; Y97-T119 HydrophobicContact CG-CG2 4.23Å; Y97-C120 WeakPolarHBondContact CB-SG 3.3Å; Y97-M123 HydrophobicContact CD2-CE 3.63Å; Y97-M123 HydrophobicContact CD2-SD 4.3Å; Y97-M123 HydrophobicContact CE2-CE 4.3Å; Y97-M123 HydrophobicContact CE2-SD 4.43Å; Y97-M123 HydrophobicContact CG-CE 4.46Å
98L96.2Very high94Very high1 Ų131.4 Ų31.41%0.00515%0.152CC..Hα-helixtrans-63.5-41.2173.7174.259.9000111.7T94 E95 G96 A101 R102 L132 Q135 V136T94-L98 WeakPolarHBondContact O-CB 3.37Å; T94-L98 PolarHBondContact O-N 3.48Å; E95-L98 PolarHBondContact O-N 3.26Å; G96-L98 VanDerWaalsContact C-N 3.34Å; G96-L98 PolarHBondContact O-N 3.18Å; L98-A101 WeakPolarHBondContact O-CB 3.33Å; L98-A101 PolarHBondContact O-N 3.21Å; L98-R102 HydrophobicContact CD1-CG 4.23Å; L98-R102 WeakPolarHBondContact O-CG 3.4Å; L98-R102 PolarHBondContact O-N 3Å; L98-L132 HydrophobicContact CD2-CB 4.14Å; L98-L132 HydrophobicContact CD2-CD1 4.12Å; L98-L132 HydrophobicContact CD2-CD2 4.07Å; L98-L132 HydrophobicContact CD2-CG 4.35Å; L98-Q135 HydrophobicContact CD2-CB 3.95Å; L98-V136 HydrophobicContact CD1-CG2 3.89Å; L98-V136 HydrophobicContact CD2-CG2 4.38Å; L98-V136 HydrophobicContact CG-CG2 4.49Å
99N97.4Very high94.5Very high8 Ų825 Ų254%0.04312%0.124CC..Hα-helixtrans-69.1-34.6177.9-73.3-24.6000112.2I61 A77 Q80 E95 G96 S103I61-N99 HydrophobicContact CD1-CB 4.18Å; I61-N99 HydrophobicContact CG2-CB 4.23Å; A77-N99 HydrophobicContact CB-CB 4.34Å; Q80-N99 PolarHBondContact OE1-ND2 3.35Å; E95-N99 PolarHBondContact O-N 2.99Å; G96-N99 PolarHBondContact O-N 2.99Å; N99-S103 WeakPolarHBondContact O-CB 3.48Å; N99-S103 PolarHBondContact O-N 3.16Å; N99-S103 PolarHBondContact O-OG 2.77Å
100L97.8Very high95.1Very high2 Ų222.7 Ų22.71%0.0111%0.111CC..Hα-helixtrans-62.3-46.7167.5-76.6177.1000112.1L74 A77 L78 I81 G96 Y97 R102 S103 N104 Y116L74-L100 HydrophobicContact CD1-CD2 4.06Å; A77-L100 HydrophobicContact CB-CD2 3.87Å; A77-L100 HydrophobicContact CB-CG 4.34Å; L78-L100 HydrophobicContact CD2-CD2 3.75Å; L78-L100 HydrophobicContact CG-CD2 3.97Å; I81-L100 HydrophobicContact CB-CD1 3.91Å; I81-L100 HydrophobicContact CG1-CD1 4.07Å; I81-L100 HydrophobicContact CG2-CD1 3.71Å; I81-L100 HydrophobicContact CG2-CG 4.4Å; G96-L100 PolarHBondContact O-N 3.11Å; Y97-L100 HydrophobicContact CD1-CD1 4.2Å; Y97-L100 PolarHBondContact O-N 3.39Å; L100-R102 VanDerWaalsContact C-N 3.34Å; L100-R102 PolarHBondContact O-N 3.33Å; L100-S103 PolarHBondContact O-N 3.39Å; L100-N104 PolarHBondContact O-N 3.19Å; L100-N104 PolarHBondContact O-ND2 3.39Å; L100-Y116 HydrophobicContact CB-CD2 3.98Å; L100-Y116 HydrophobicContact CB-CE2 4.13Å; L100-Y116 HydrophobicContact CB-CG 4.28Å; L100-Y116 HydrophobicContact CD1-CE1 4.2Å
101A98.2Very high95.6Very high0 Ų024.3 Ų24.30%011%0.113CC..Hα-helixtrans-57.5-47.8179.300000111.3Y97 L98 N104 E105 T113Y97-A101 WeakPolarHBondContact O-CB 3.3Å; Y97-A101 PolarHBondContact O-N 2.93Å; L98-A101 WeakPolarHBondContact O-CB 3.33Å; L98-A101 PolarHBondContact O-N 3.21Å; A101-N104 PolarHBondContact O-N 3.2Å; A101-E105 WeakPolarHBondContact O-CB 3.3Å; A101-E105 PolarHBondContact O-N 2.88Å; A101-T113 HydrophobicContact CB-CG2 4.21Å; A101-T113 WeakPolarHBondContact O-CG2 3.5Å; A101-T113 PolarHBondContact O-OG1 3.44Å
102R97.8Very high96.1Very high35 Ų3527.2 Ų27.213%0.13212%0.124CC..Hα-helixtrans-63.9-39.6177-72.8170.5171.5168.6-6.6112.8M73 L98 L100 E105 K106 Q135M73-R102 HydrophobicContact CE-CB 3.9Å; L98-R102 HydrophobicContact CD1-CG 4.23Å; L98-R102 WeakPolarHBondContact O-CG 3.4Å; L98-R102 PolarHBondContact O-N 3Å; L100-R102 VanDerWaalsContact C-N 3.34Å; L100-R102 PolarHBondContact O-N 3.33Å; R102-E105 WeakPolarHBondContact O-CB 3.42Å; R102-E105 PolarHBondContact O-N 3.27Å; R102-K106 WeakPolarHBondContact O-CG 3.39Å; R102-K106 PolarHBondContact O-N 3.4Å; R102-Q135 VanDerWaalsContact NH2-CB 3.35Å
103S97.7Very high96.5Very high0 Ų025 Ų250%012%0.115CC..Hα-helixtrans-63.5-44.8177.6-58.50000111.2M73 N99 L100 E105 K106 L107M73-S103 WeakPolarHBondContact CE-OG 3.32Å; N99-S103 WeakPolarHBondContact O-CB 3.48Å; N99-S103 PolarHBondContact O-N 3.16Å; N99-S103 PolarHBondContact O-OG 2.77Å; L100-S103 PolarHBondContact O-N 3.39Å; S103-E105 VanDerWaalsContact C-N 3.33Å; S103-K106 PolarHBondContact O-N 2.63Å; S103-L107 PolarHBondContact O-N 3.49Å
104N98.1Very high96.8Very high7 Ų724 Ų244%0.03711%0.11CC..Hα-helixtrans-66.6-35175.1-75.8-84.1000111.9L100 A101 K106 L107 C108 D109 K112 T113L100-N104 PolarHBondContact O-N 3.19Å; L100-N104 PolarHBondContact O-ND2 3.39Å; A101-N104 PolarHBondContact O-N 3.2Å; N104-K106 PolarHBondContact O-N 3.1Å; N104-L107 CarbonylContact O-C 3.49Å; N104-L107 PolarHBondContact O-N 2.91Å; N104-C108 PolarHBondContact O-N 3.34Å; N104-D109 HydrophobicContact CB-CB 4.16Å; N104-D109 PolarHBondContact O-N 3.34Å; N104-K112 HydrophobicContact CB-CB 4.26Å; N104-T113 VanDerWaalsContact C-OG1 3.32Å; N104-T113 WeakPolarHBondContact CB-OG1 3.44Å
105E97.6Very high97.2Very high22 Ų2226.9 Ų26.910%0.10313%0.13CC..Hα-helixtrans-60.5-46.9176.2-174.9-161.9130.400110.3A101 R102 S103 L107 C108 T113 S139 N142A101-E105 WeakPolarHBondContact O-CB 3.3Å; A101-E105 PolarHBondContact O-N 2.88Å; R102-E105 WeakPolarHBondContact O-CB 3.42Å; R102-E105 PolarHBondContact O-N 3.27Å; S103-E105 VanDerWaalsContact C-N 3.33Å; E105-L107 VanDerWaalsContact C-N 3.29Å; E105-L107 PolarHBondContact O-N 3.33Å; E105-C108 PolarHBondContact O-N 3.42Å; E105-C108 VanDerWaalsContact O-N 3.07Å; E105-T113 VanDerWaalsContact CA-OG1 3.32Å; E105-T113 WeakPolarHBondContact CA-OG1 3.47Å; E105-T113 HydrophobicContact CB-CG2 4.01Å; E105-T113 PolarHBondContact N-OG1 2.93Å; E105-S139 VanDerWaalsContact OE2-CA 3.28Å; E105-S139 WeakPolarHBondContact OE2-CA 3.47Å; E105-S139 VanDerWaalsContact OE2-CB 3.32Å; E105-S139 WeakPolarHBondContact OE2-CB 3.3Å; E105-N142 HydrophobicContact CG-CB 4.13Å; E105-N142 PolarHBondContact OE1-ND2 2.9Å
106K96.1Very high97.4Very high76 Ų7628 Ų2833%0.3313%0.134SC..Hα-helixtrans-66.3-29.1179.3-67-54-176.4-169.80113.7Y70 M73 R102 S103 N104 C108Y70-K106 HydrophobicContact CD1-CB 3.7Å; Y70-K106 HydrophobicContact CD1-CG 3.98Å; Y70-K106 HydrophobicContact CD2-CB 3.74Å; Y70-K106 HydrophobicContact CE1-CB 3.89Å; Y70-K106 HydrophobicContact CE1-CD 4.04Å; Y70-K106 HydrophobicContact CE1-CG 3.81Å; Y70-K106 HydrophobicContact CE2-CB 3.95Å; Y70-K106 HydrophobicContact CE2-CD 4.48Å; Y70-K106 HydrophobicContact CG-CB 3.63Å; Y70-K106 HydrophobicContact CG-CG 4.42Å; M73-K106 HydrophobicContact SD-CG 4.44Å; R102-K106 WeakPolarHBondContact O-CG 3.39Å; R102-K106 PolarHBondContact O-N 3.4Å; S103-K106 PolarHBondContact O-N 2.63Å; N104-K106 PolarHBondContact O-N 3.1Å; K106-C108 VanDerWaalsContact C-N 3.31Å
107L96.5Very high97.5Very high27 Ų2728 Ų2814%0.14113%0.134CC..THydrogen-bonded Turntrans-88.42.9174.3-68.5169.3000113.3K71 L74 S103 N104 E105 D109 R293K71-L107 HydrophobicContact CG-CD2 4.37Å; L74-L107 HydrophobicContact CB-CD1 4.06Å; L74-L107 HydrophobicContact CD2-CD1 3.69Å; L74-L107 HydrophobicContact CG-CD1 4.47Å; S103-L107 PolarHBondContact O-N 3.49Å; N104-L107 CarbonylContact O-C 3.49Å; N104-L107 PolarHBondContact O-N 2.91Å; E105-L107 VanDerWaalsContact C-N 3.29Å; E105-L107 PolarHBondContact O-N 3.33Å; L107-D109 VanDerWaalsContact C-N 3.29Å; L107-D109 PolarHBondContact O-N 2.86Å; L107-R293 PolarHBondContact O-NE 3.38Å; L107-R293 PolarHBondContact O-NH2 3.5Å
108C97.3Very high97.5Very high4 Ų430.5 Ų30.53%0.02715%0.147CC..THydrogen-bonded Turntrans61.630.1-179.2-46.20000114.3N104 E105 K106 F110 R293 L294 M330N104-C108 PolarHBondContact O-N 3.34Å; E105-C108 PolarHBondContact O-N 3.42Å; E105-C108 VanDerWaalsContact O-N 3.07Å; K106-C108 VanDerWaalsContact C-N 3.31Å; C108-F110 VanDerWaalsContact C-N 3.33Å; C108-F110 HydrophobicContact CB-CE1 4.16Å; C108-F110 HydrophobicContact CB-CE2 3.83Å; C108-F110 HydrophobicContact CB-CZ 3.58Å; C108-F110 PolarHBondContact O-N 2.97Å; C108-R293 HydrophobicContact CB-CB 4.33Å; C108-R293 PolarHBondContact O-NH2 2.79Å; C108-R293 VanDerWaalsContact O-NH2 3.12Å; C108-L294 PolarHBondContact SG-N 3.24Å; C108-M330 HydrophobicContact CB-CG 3.88Å; C108-M330 HydrophobicContact CB-SD 3.47Å; C108-M330 WeakPolarHBondContact CB-SD 3.39Å
109D97.6Very high97.4Very high34 Ų3432.7 Ų32.718%0.18216%0.16CC..  trans-91.472.6167.5-167.6-27.6000109N104 L107 Q111 K112 T113N104-D109 HydrophobicContact CB-CB 4.16Å; N104-D109 PolarHBondContact O-N 3.34Å; L107-D109 VanDerWaalsContact C-N 3.29Å; L107-D109 PolarHBondContact O-N 2.86Å; D109-Q111 VanDerWaalsContact C-N 3.34Å; D109-Q111 PolarHBondContact O-N 3.16Å; D109-K112 PolarHBondContact O-N 2.89Å; D109-K112 WeakPolarHBondContact OD1-CB 3.44Å; D109-K112 VanDerWaalsContact OD1-CG 3.31Å; D109-K112 WeakPolarHBondContact OD1-CG 3.23Å; D109-K112 PolarHBondContact OD1-N 3.38Å; D109-K112 WeakPolarHBondContact OD2-CD 3.38Å; D109-K112 VanDerWaalsContact OD2-CE 3.23Å; D109-K112 WeakPolarHBondContact OD2-CE 3.26Å; D109-K112 IonicContact OD2-NZ 3.62Å; D109-K112 PolarHBondContact OD2-NZ 3.2Å; D109-T113 PolarHBondContact O-N 2.77Å; D109-T113 PolarHBondContact O-OG1 2.77Å
110F98.3Very high97.1Very high7 Ų732.3 Ų32.33%0.03116%0.158CC..Hα-helixtrans-69.2-31.8-167.9-57.7-56000112.8C108 T113 V114 A143 L147 L294 M330C108-F110 VanDerWaalsContact C-N 3.33Å; C108-F110 HydrophobicContact CB-CE1 4.16Å; C108-F110 HydrophobicContact CB-CE2 3.83Å; C108-F110 HydrophobicContact CB-CZ 3.58Å; C108-F110 PolarHBondContact O-N 2.97Å; F110-T113 PolarHBondContact O-N 2.67Å; F110-V114 WeakPolarHBondContact O-CG2 3.46Å; F110-V114 PolarHBondContact O-N 3.11Å; F110-A143 HydrophobicContact CB-CB 4.17Å; F110-A143 HydrophobicContact CD1-CB 4.26Å; F110-L147 HydrophobicContact CB-CD1 4.03Å; F110-L147 HydrophobicContact CB-CD2 3.84Å; F110-L147 HydrophobicContact CB-CG 3.6Å; F110-L147 HydrophobicContact CD2-CD2 4.39Å; F110-L147 HydrophobicContact CD2-CG 4.49Å; F110-L147 HydrophobicContact CG-CG 4.39Å; F110-L294 HydrophobicContact CZ-CD2 4.19Å; F110-M330 HydrophobicContact CD2-CB 4.45Å; F110-M330 HydrophobicContact CE2-CB 4.22Å; F110-M330 HydrophobicContact CE2-SD 4.36Å
111Q97.8Very high96.8Very high99 Ų9933.9 Ų33.946%0.46317%0.166SC..Hα-helixtrans-63.3-45.4175.9-67.881.6-6.300110.8D109 V114 S115 L147D109-Q111 VanDerWaalsContact C-N 3.34Å; D109-Q111 PolarHBondContact O-N 3.16Å; Q111-V114 PolarHBondContact O-N 3.49Å; Q111-S115 PolarHBondContact O-N 3.17Å; Q111-L147 HydrophobicContact CG-CD2 4.39Å
112K97.9Very high96.3Very high99 Ų9940.1 Ų40.143%0.4320%0.2SC..Hα-helixtrans-65.3-39.9174.2-73.2-173.6-165.3138.50112.2N104 D109 V114 S115 Y116N104-K112 HydrophobicContact CB-CB 4.26Å; D109-K112 PolarHBondContact O-N 2.89Å; D109-K112 WeakPolarHBondContact OD1-CB 3.44Å; D109-K112 VanDerWaalsContact OD1-CG 3.31Å; D109-K112 WeakPolarHBondContact OD1-CG 3.23Å; D109-K112 PolarHBondContact OD1-N 3.38Å; D109-K112 WeakPolarHBondContact OD2-CD 3.38Å; D109-K112 VanDerWaalsContact OD2-CE 3.23Å; D109-K112 WeakPolarHBondContact OD2-CE 3.26Å; D109-K112 IonicContact OD2-NZ 3.62Å; D109-K112 PolarHBondContact OD2-NZ 3.2Å; K112-V114 VanDerWaalsContact C-N 3.33Å; K112-V114 PolarHBondContact O-N 3.04Å; K112-S115 PolarHBondContact O-N 3.22Å; K112-Y116 HydrophobicContact CB-CD2 4.33Å; K112-Y116 HydrophobicContact CB-CE2 4.02Å; K112-Y116 WeakPolarHBondContact O-CD2 3.36Å; K112-Y116 PolarHBondContact O-N 3.42Å
113T98.6Very high95.7Very high0 Ų040.5 Ų40.50%020%0.203CC..Hα-helixtrans-56-48.3174.2-60.70000111.4A101 N104 E105 D109 F110 S115 Y116 C117 A143A101-T113 HydrophobicContact CB-CG2 4.21Å; A101-T113 WeakPolarHBondContact O-CG2 3.5Å; A101-T113 PolarHBondContact O-OG1 3.44Å; N104-T113 VanDerWaalsContact C-OG1 3.32Å; N104-T113 WeakPolarHBondContact CB-OG1 3.44Å; E105-T113 VanDerWaalsContact CA-OG1 3.32Å; E105-T113 WeakPolarHBondContact CA-OG1 3.47Å; E105-T113 HydrophobicContact CB-CG2 4.01Å; E105-T113 PolarHBondContact N-OG1 2.93Å; D109-T113 PolarHBondContact O-N 2.77Å; D109-T113 PolarHBondContact O-OG1 2.77Å; F110-T113 PolarHBondContact O-N 2.67Å; T113-S115 VanDerWaalsContact C-N 3.34Å; T113-S115 PolarHBondContact O-N 3.04Å; T113-Y116 PolarHBondContact O-N 2.94Å; T113-C117 WeakPolarHBondContact O-CB 3.39Å; T113-C117 PolarHBondContact O-N 3.45Å; T113-C117 PolarHBondContact O-SG 2.9Å; T113-A143 HydrophobicContact CG2-CB 3.59Å
114V98.4Very high94.4Very high14 Ų1448.1 Ų48.19%0.08524%0.239CC..Hα-helixtrans-59.6-45.5177.3171.80000111F110 Q111 K112 C117 Q118 A143 Y144 L147F110-V114 WeakPolarHBondContact O-CG2 3.46Å; F110-V114 PolarHBondContact O-N 3.11Å; Q111-V114 PolarHBondContact O-N 3.49Å; K112-V114 VanDerWaalsContact C-N 3.33Å; K112-V114 PolarHBondContact O-N 3.04Å; V114-C117 PolarHBondContact O-N 3.19Å; V114-Q118 HydrophobicContact CG1-CG 4.41Å; V114-Q118 VanDerWaalsContact O-CG 3.31Å; V114-Q118 WeakPolarHBondContact O-CG 3.43Å; V114-Q118 PolarHBondContact O-N 2.75Å; V114-A143 HydrophobicContact CG2-CB 3.83Å; V114-Y144 HydrophobicContact CG1-CE1 4.14Å; V114-Y144 HydrophobicContact CG2-CD1 4.16Å; V114-Y144 HydrophobicContact CG2-CE1 3.91Å; V114-L147 HydrophobicContact CG2-CD1 4.33Å
115S98.1Very high92.8Very high60 Ų6051.2 Ų51.242%0.4227%0.272SS..Hα-helixtrans-59.5-50.2179.1-179.30000112.2Q111 K112 T113 C117 Q118 T119Q111-S115 PolarHBondContact O-N 3.17Å; K112-S115 PolarHBondContact O-N 3.22Å; T113-S115 VanDerWaalsContact C-N 3.34Å; T113-S115 PolarHBondContact O-N 3.04Å; S115-C117 PolarHBondContact O-N 3.03Å; S115-Q118 WeakPolarHBondContact O-CB 3.35Å; S115-Q118 PolarHBondContact O-N 3.17Å; S115-T119 PolarHBondContact O-N 3.42Å; S115-T119 PolarHBondContact O-OG1 3.31Å
116Y97.6Very high91.4Very high55 Ų5551.7 Ų51.722%0.21628%0.277CS..Hα-helixtrans-66-36.4178.4-65.8-48.2000112.8Y97 L100 K112 T113 Q118 T119 C120Y97-Y116 AromaticContact CD1-CD1 3.68Å; Y97-Y116 HydrophobicContact CD1-CD1 3.68Å; Y97-Y116 HydrophobicContact CD1-CE1 4.24Å; Y97-Y116 HydrophobicContact CD1-CG 4.48Å; Y97-Y116 HydrophobicContact CE1-CD1 4.06Å; Y97-Y116 HydrophobicContact CE1-CE1 4.27Å; L100-Y116 HydrophobicContact CB-CD2 3.98Å; L100-Y116 HydrophobicContact CB-CE2 4.13Å; L100-Y116 HydrophobicContact CB-CG 4.28Å; L100-Y116 HydrophobicContact CD1-CE1 4.2Å; K112-Y116 HydrophobicContact CB-CD2 4.33Å; K112-Y116 HydrophobicContact CB-CE2 4.02Å; K112-Y116 WeakPolarHBondContact O-CD2 3.36Å; K112-Y116 PolarHBondContact O-N 3.42Å; T113-Y116 PolarHBondContact O-N 2.94Å; Y116-Q118 VanDerWaalsContact C-N 3.35Å; Y116-T119 WeakPolarHBondContact O-CB 3.17Å; Y116-T119 PolarHBondContact O-N 3.44Å; Y116-C120 PolarHBondContact O-N 3.42Å; Y116-C120 PolarHBondContact O-SG 3Å
117C97.1Very high90.3Very high0 Ų052 Ų520%029%0.285CS..Hα-helixtrans-63.4-39.7173-740000112.1T113 V114 S115 C120 L121 V136 M140T113-C117 WeakPolarHBondContact O-CB 3.39Å; T113-C117 PolarHBondContact O-N 3.45Å; T113-C117 PolarHBondContact O-SG 2.9Å; V114-C117 PolarHBondContact O-N 3.19Å; S115-C117 PolarHBondContact O-N 3.03Å; C117-C120 WeakPolarHBondContact O-CB 3.47Å; C117-C120 PolarHBondContact O-N 3.33Å; C117-L121 WeakPolarHBondContact O-CG 3.5Å; C117-L121 PolarHBondContact O-N 2.81Å; C117-V136 HydrophobicContact CB-CG1 3.85Å; C117-V136 WeakPolarHBondContact O-CG1 3.48Å; C117-M140 HydrophobicContact CB-CB 3.83Å; C117-M140 HydrophobicContact CB-CG 4.11Å; C117-M140 HydrophobicContact CB-SD 3.93Å
118Q95.8Very high89.2Confident91 Ų9151.7 Ų51.743%0.42528%0.284SS..Hα-helixtrans-63.2-42.4174.4-73.8170.2-21.800111.3V114 S115 Y116 C120 L121 N122 M140V114-Q118 HydrophobicContact CG1-CG 4.41Å; V114-Q118 VanDerWaalsContact O-CG 3.31Å; V114-Q118 WeakPolarHBondContact O-CG 3.43Å; V114-Q118 PolarHBondContact O-N 2.75Å; S115-Q118 WeakPolarHBondContact O-CB 3.35Å; S115-Q118 PolarHBondContact O-N 3.17Å; Y116-Q118 VanDerWaalsContact C-N 3.35Å; Q118-C120 VanDerWaalsContact C-N 3.33Å; Q118-C120 PolarHBondContact O-N 3.17Å; Q118-L121 PolarHBondContact O-N 2.98Å; Q118-N122 VanDerWaalsContact O-CG 3.23Å; Q118-N122 PolarHBondContact O-N 3.46Å; Q118-N122 PolarHBondContact O-ND2 3.23Å; Q118-M140 HydrophobicContact CG-SD 4.5Å
119T93.8Very high88.1Confident47 Ų4751.5 Ų51.529%0.28828%0.284SS..Hα-helixtrans-57.2-46.6173.2-54.60000111.2Y97 S115 Y116 L121 N122 M123Y97-T119 HydrophobicContact CD1-CG2 4.39Å; Y97-T119 HydrophobicContact CD2-CG2 3.95Å; Y97-T119 HydrophobicContact CE1-CG2 4.32Å; Y97-T119 HydrophobicContact CE2-CG2 3.85Å; Y97-T119 HydrophobicContact CG-CG2 4.23Å; S115-T119 PolarHBondContact O-N 3.42Å; S115-T119 PolarHBondContact O-OG1 3.31Å; Y116-T119 WeakPolarHBondContact O-CB 3.17Å; Y116-T119 PolarHBondContact O-N 3.44Å; T119-L121 PolarHBondContact O-N 2.99Å; T119-N122 PolarHBondContact O-N 2.66Å; T119-M123 HydrophobicContact CG2-CE 4.2Å; T119-M123 WeakPolarHBondContact O-CG 3.48Å; T119-M123 PolarHBondContact O-N 3.38Å
120C92.1Very high87.1Confident0 Ų054.8 Ų54.80%030%0.3CS..Hα-helixtrans-56.6-47.1175.8-63.40000112.4Y97 Y116 C117 Q118 N122 M123 V136Y97-C120 WeakPolarHBondContact CB-SG 3.3Å; Y116-C120 PolarHBondContact O-N 3.42Å; Y116-C120 PolarHBondContact O-SG 3Å; C117-C120 WeakPolarHBondContact O-CB 3.47Å; C117-C120 PolarHBondContact O-N 3.33Å; Q118-C120 VanDerWaalsContact C-N 3.33Å; Q118-C120 PolarHBondContact O-N 3.17Å; C120-N122 VanDerWaalsContact C-N 3.26Å; C120-N122 PolarHBondContact O-N 2.8Å; C120-M123 PolarHBondContact O-N 3.1Å; C120-V136 HydrophobicContact CB-CB 4.49Å; C120-V136 HydrophobicContact CB-CG1 3.82Å; C120-V136 HydrophobicContact CB-CG2 3.77Å
121L89.9Confident86.4Confident35 Ų3559.3 Ų59.318%0.18332%0.322CS..Hα-helixtrans-71.1-18.9-177.4-67.6174.8000114.1C117 Q118 T119 Q124 V136 M140C117-L121 WeakPolarHBondContact O-CG 3.5Å; C117-L121 PolarHBondContact O-N 2.81Å; Q118-L121 PolarHBondContact O-N 2.98Å; T119-L121 PolarHBondContact O-N 2.99Å; L121-Q124 WeakPolarHBondContact O-CG 3.29Å; L121-Q124 PolarHBondContact O-NE2 2.89Å; L121-V136 HydrophobicContact CD1-CG1 4.33Å; L121-V136 HydrophobicContact CD2-CB 4.43Å; L121-V136 HydrophobicContact CD2-CG1 3.96Å; L121-V136 HydrophobicContact CG-CG1 3.79Å; L121-M140 HydrophobicContact CD1-CE 3.42Å; L121-M140 VanDerWaalsContact CD1-CE 3.42Å; L121-M140 HydrophobicContact CD1-SD 4.25Å
122N89.3Confident86Confident131 Ų13155 Ų5570%0.70130%0.302SS*.Hα-helixtrans-83.5-20.6175.3-69.8-14.6000112.4Q118 T119 C120 Q124Q118-N122 VanDerWaalsContact O-CG 3.23Å; Q118-N122 PolarHBondContact O-N 3.46Å; Q118-N122 PolarHBondContact O-ND2 3.23Å; T119-N122 PolarHBondContact O-N 2.66Å; C120-N122 VanDerWaalsContact C-N 3.26Å; C120-N122 PolarHBondContact O-N 2.8Å; N122-Q124 PolarHBondContact O-N 3.22Å
123M83.7Confident85.7Confident42 Ų4250.8 Ų50.821%0.20728%0.284CS..SBendtrans-84.757.1176.4-63.3-178.1-64.300111.1L93 Y97 T119 C120L93-M123 HydrophobicContact CB-SD 4.19Å; Y97-M123 HydrophobicContact CD2-CE 3.63Å; Y97-M123 HydrophobicContact CD2-SD 4.3Å; Y97-M123 HydrophobicContact CE2-CE 4.3Å; Y97-M123 HydrophobicContact CE2-SD 4.43Å; Y97-M123 HydrophobicContact CG-CE 4.46Å; T119-M123 HydrophobicContact CG2-CE 4.2Å; T119-M123 WeakPolarHBondContact O-CG 3.48Å; T119-M123 PolarHBondContact O-N 3.38Å; C120-M123 PolarHBondContact O-N 3.1Å
124Q70.3Confident85.6Confident160 Ų16050.8 Ų50.875%0.74828%0.284SS*.  trans-76.9150.7-176.6-58.5-174.3300112.3L121 N122L121-Q124 WeakPolarHBondContact O-CG 3.29Å; L121-Q124 PolarHBondContact O-NE2 2.89Å; N122-Q124 PolarHBondContact O-N 3.22Å
125G64.6Low85.4Confident72 Ų7250.9 Ų50.974%0.74228%0.284SS*.SBendtrans115.8-2.4163.500000115.8
126T68.6Low85.3Confident32 Ų3248 Ų4820%0.19626%0.264CS..SBendtrans-102.1157.6177.975.10000113.4P90 D91 V128 S129 L130P90-T126 HydrophobicContact CB-CG2 4.02Å; D91-T126 WeakPolarHBondContact OD1-CB 3.41Å; D91-T126 WeakPolarHBondContact OD1-CG2 3.34Å; D91-T126 PolarHBondContact OD1-OG1 2.92Å; T126-V128 VanDerWaalsContact C-N 3.32Å; T126-V128 PolarHBondContact O-N 2.98Å; T126-S129 PolarHBondContact N-OG 3.14Å; T126-S129 VanDerWaalsContact N-OG 3.15Å; T126-S129 PolarHBondContact O-N 2.87Å; T126-S129 PolarHBondContact O-OG 3.1Å; T126-S129 VanDerWaalsContact OG1-CB 3.25Å; T126-S129 WeakPolarHBondContact OG1-CB 3.39Å; T126-S129 PolarHBondContact OG1-N 3.4Å; T126-S129 VanDerWaalsContact OG1-N 3.09Å; T126-S129 PolarHBondContact OG1-OG 3.31Å; T126-L130 WeakPolarHBondContact O-CG 3.33Å; T126-L130 PolarHBondContact O-N 3.1Å
127T72.8Confident85.3Confident82 Ų8245.5 Ų45.550%0.50325%0.254SS..Hα-helixtrans-61.9-38.6179.1-53.20000112.2Q131T127-Q131 WeakPolarHBondContact O-CG 3.48Å; T127-Q131 PolarHBondContact O-N 3.05Å
128V73.4Confident85.4Confident21 Ų2145.6 Ų45.613%0.12725%0.254CS..Hα-helixtrans-72.2-38.5178.9178.30000111D91 T126 L130 Q131 L132D91-V128 HydrophobicContact CB-CB 3.95Å; D91-V128 HydrophobicContact CB-CG2 3.86Å; D91-V128 WeakPolarHBondContact OD1-CB 3.46Å; D91-V128 WeakPolarHBondContact OD2-CG2 3.38Å; T126-V128 VanDerWaalsContact C-N 3.32Å; T126-V128 PolarHBondContact O-N 2.98Å; V128-L130 VanDerWaalsContact C-N 3.29Å; V128-L130 PolarHBondContact O-N 3.32Å; V128-Q131 PolarHBondContact O-N 3.42Å; V128-Q131 VanDerWaalsContact O-N 3.13Å; V128-L132 HydrophobicContact CG1-CD1 3.57Å; V128-L132 HydrophobicContact CG1-CG 3.94Å; V128-L132 WeakPolarHBondContact O-CG 3.47Å; V128-L132 PolarHBondContact O-N 2.99Å
129S74.1Confident85.5Confident1 Ų141.2 Ų41.21%0.00723%0.234CC..Hα-helixtrans-56.4-43.6175.872.50000111.7T126 Q131 L132 N133T126-S129 PolarHBondContact N-OG 3.14Å; T126-S129 VanDerWaalsContact N-OG 3.15Å; T126-S129 PolarHBondContact O-N 2.87Å; T126-S129 PolarHBondContact O-OG 3.1Å; T126-S129 VanDerWaalsContact OG1-CB 3.25Å; T126-S129 WeakPolarHBondContact OG1-CB 3.39Å; T126-S129 PolarHBondContact OG1-N 3.4Å; T126-S129 VanDerWaalsContact OG1-N 3.09Å; T126-S129 PolarHBondContact OG1-OG 3.31Å; S129-Q131 VanDerWaalsContact C-N 3.33Å; S129-Q131 PolarHBondContact O-N 3.29Å; S129-L132 PolarHBondContact O-N 3.16Å; S129-N133 WeakPolarHBondContact O-CB 3.39Å; S129-N133 PolarHBondContact O-N 3.1Å; S129-N133 PolarHBondContact O-ND2 2.97Å; S129-N133 VanDerWaalsContact O-ND2 3.14Å; S129-N133 PolarHBondContact O-OD1 3.46Å; S129-N133 VanDerWaalsContact O-OD1 3.12Å
130L76.8Confident85.7Confident102 Ų10239.6 Ų39.653%0.53422%0.223SC..Hα-helixtrans-64.6-35178.9-67.5173.7000113.1T126 V128T126-L130 WeakPolarHBondContact O-CG 3.33Å; T126-L130 PolarHBondContact O-N 3.1Å; V128-L130 VanDerWaalsContact C-N 3.29Å; V128-L130 PolarHBondContact O-N 3.32Å
131Q83.9Confident86Confident102 Ų10239.6 Ų39.648%0.47722%0.223SC..Hα-helixtrans-74.9-38.3177.1-69.1178.3-12.900112.2T127 V128 S129T127-Q131 WeakPolarHBondContact O-CG 3.48Å; T127-Q131 PolarHBondContact O-N 3.05Å; V128-Q131 PolarHBondContact O-N 3.42Å; V128-Q131 VanDerWaalsContact O-N 3.13Å; S129-Q131 VanDerWaalsContact C-N 3.33Å; S129-Q131 PolarHBondContact O-N 3.29Å
132L90Very high86.4Confident9 Ų939.4 Ų39.45%0.04722%0.222CC..Hα-helixtrans-86.1-17.4-175.7-65.8-175.3000114.1I3 T94 E95 L98 V128 S129 G134 Q135 V136I3-L132 HydrophobicContact CD1-CD2 4.24Å; I3-L132 HydrophobicContact CG2-CD2 4.21Å; T94-L132 HydrophobicContact CG2-CD1 4.49Å; E95-L132 HydrophobicContact CB-CD1 3.95Å; E95-L132 HydrophobicContact CG-CD1 4.45Å; L98-L132 HydrophobicContact CD2-CB 4.14Å; L98-L132 HydrophobicContact CD2-CD1 4.12Å; L98-L132 HydrophobicContact CD2-CD2 4.07Å; L98-L132 HydrophobicContact CD2-CG 4.35Å; V128-L132 HydrophobicContact CG1-CD1 3.57Å; V128-L132 HydrophobicContact CG1-CG 3.94Å; V128-L132 WeakPolarHBondContact O-CG 3.47Å; V128-L132 PolarHBondContact O-N 2.99Å; S129-L132 PolarHBondContact O-N 3.16Å; L132-G134 PolarHBondContact O-N 3.14Å; L132-G134 VanDerWaalsContact O-N 3.13Å; L132-Q135 WeakPolarHBondContact O-CA 3.31Å; L132-Q135 VanDerWaalsContact O-CB 3.28Å; L132-Q135 WeakPolarHBondContact O-CB 3.33Å; L132-Q135 PolarHBondContact O-N 3.38Å; L132-V136 WeakPolarHBondContact O-CG2 3.28Å; L132-V136 PolarHBondContact O-N 3.29Å
133N91.8Very high86.9Confident10 Ų1033.1 Ų33.15%0.05319%0.189CC..Hα-helixtrans-53.6-37.9-177.9-80.5-23.1000113.7S129 Q135 V136 C137 Y163S129-N133 WeakPolarHBondContact O-CB 3.39Å; S129-N133 PolarHBondContact O-N 3.1Å; S129-N133 PolarHBondContact O-ND2 2.97Å; S129-N133 VanDerWaalsContact O-ND2 3.14Å; S129-N133 PolarHBondContact O-OD1 3.46Å; S129-N133 VanDerWaalsContact O-OD1 3.12Å; N133-Q135 VanDerWaalsContact C-N 3.31Å; N133-Q135 PolarHBondContact O-N 3.41Å; N133-V136 PolarHBondContact O-N 3.44Å; N133-C137 WeakPolarHBondContact O-CB 3.35Å; N133-C137 PolarHBondContact O-N 3.39Å; N133-C137 PolarHBondContact O-SG 2.95Å; N133-Y163 HydrophobicContact CB-CD1 4.14Å; N133-Y163 HydrophobicContact CB-CD2 4.11Å; N133-Y163 HydrophobicContact CB-CE1 3.71Å; N133-Y163 HydrophobicContact CB-CE2 3.68Å; N133-Y163 HydrophobicContact CB-CG 4.34Å; N133-Y163 VanDerWaalsContact CB-CZ 3.47Å
134G94.8Very high87.6Confident0 Ų032.3 Ų32.30%018%0.184CC..Hα-helixtrans-61.2-40174.900000113L132 L138 A160 Y163L132-G134 PolarHBondContact O-N 3.14Å; L132-G134 VanDerWaalsContact O-N 3.13Å; G134-L138 PolarHBondContact O-N 3.37Å; G134-A160 WeakPolarHBondContact O-CB 3.48Å; G134-Y163 VanDerWaalsContact CA-CB 3.48Å
135Q95.5Very high88.9Confident17 Ų1725.6 Ų25.68%0.07915%0.153CC..Hα-helixtrans-70.8-37.7176.5-63.4-66.9-23.800112.6L98 R102 L132 N133 L138 S139L98-Q135 HydrophobicContact CD2-CB 3.95Å; R102-Q135 VanDerWaalsContact NH2-CB 3.35Å; L132-Q135 WeakPolarHBondContact O-CA 3.31Å; L132-Q135 VanDerWaalsContact O-CB 3.28Å; L132-Q135 WeakPolarHBondContact O-CB 3.33Å; L132-Q135 PolarHBondContact O-N 3.38Å; N133-Q135 VanDerWaalsContact C-N 3.31Å; N133-Q135 PolarHBondContact O-N 3.41Å; Q135-L138 PolarHBondContact O-N 3.13Å; Q135-S139 PolarHBondContact O-N 3.45Å; Q135-S139 PolarHBondContact O-OG 3.41Å
136V96.4Very high90.4Very high0 Ų022.4 Ų22.40%012%0.119CC..Hα-helixtrans-62.6-48.4174176.60000109.8L98 C117 C120 L121 L132 N133 L138 S139 M140L98-V136 HydrophobicContact CD1-CG2 3.89Å; L98-V136 HydrophobicContact CD2-CG2 4.38Å; L98-V136 HydrophobicContact CG-CG2 4.49Å; C117-V136 HydrophobicContact CB-CG1 3.85Å; C117-V136 WeakPolarHBondContact O-CG1 3.48Å; C120-V136 HydrophobicContact CB-CB 4.49Å; C120-V136 HydrophobicContact CB-CG1 3.82Å; C120-V136 HydrophobicContact CB-CG2 3.77Å; L121-V136 HydrophobicContact CD1-CG1 4.33Å; L121-V136 HydrophobicContact CD2-CB 4.43Å; L121-V136 HydrophobicContact CD2-CG1 3.96Å; L121-V136 HydrophobicContact CG-CG1 3.79Å; L132-V136 WeakPolarHBondContact O-CG2 3.28Å; L132-V136 PolarHBondContact O-N 3.29Å; N133-V136 PolarHBondContact O-N 3.44Å; V136-L138 VanDerWaalsContact C-N 3.35Å; V136-L138 PolarHBondContact O-N 3.03Å; V136-S139 PolarHBondContact O-N 2.92Å; V136-M140 WeakPolarHBondContact O-CB 3.45Å; V136-M140 PolarHBondContact O-N 2.97Å
137C97.6Very high91.8Very high2 Ų221.9 Ų21.91%0.01412%0.116CC..Hα-helixtrans-61.5-40.1177.3-70.90000112.6N133 M140 G141 S156 K159 A160N133-C137 WeakPolarHBondContact O-CB 3.35Å; N133-C137 PolarHBondContact O-N 3.39Å; N133-C137 PolarHBondContact O-SG 2.95Å; C137-M140 PolarHBondContact O-N 3.45Å; C137-G141 PolarHBondContact O-N 3.26Å; C137-S156 WeakPolarHBondContact CB-O 3.3Å; C137-S156 WeakPolarHBondContact O-CB 3.48Å; C137-K159 HydrophobicContact CB-CB 4.15Å; C137-A160 HydrophobicContact CB-CB 3.82Å
138L98.2Very high92.8Very high1 Ų118.1 Ų18.11%0.0059%0.092CC..Hα-helixtrans-61.4-47174.3172.960.3000111.7G134 Q135 V136 M140 G141 N142 Y157 A160 L172 R175 V176G134-L138 PolarHBondContact O-N 3.37Å; Q135-L138 PolarHBondContact O-N 3.13Å; V136-L138 VanDerWaalsContact C-N 3.35Å; V136-L138 PolarHBondContact O-N 3.03Å; L138-M140 VanDerWaalsContact C-N 3.34Å; L138-M140 PolarHBondContact O-N 3.37Å; L138-G141 PolarHBondContact O-N 3.14Å; L138-N142 PolarHBondContact O-N 3.15Å; L138-Y157 HydrophobicContact CD1-CD1 4.13Å; L138-Y157 HydrophobicContact CD1-CE1 3.96Å; L138-A160 HydrophobicContact CB-CB 4.22Å; L138-L172 HydrophobicContact CB-CD1 4.04Å; L138-L172 HydrophobicContact CD2-CD1 3.72Å; L138-R175 HydrophobicContact CD2-CB 3.74Å; L138-R175 VanDerWaalsContact CD2-CZ 3.48Å; L138-R175 VanDerWaalsContact CD2-NH2 3.33Å; L138-V176 HydrophobicContact CB-CG2 4.46Å; L138-V176 HydrophobicContact CD1-CG2 4.03Å; L138-V176 HydrophobicContact CD2-CG2 4.49Å
139S98.3Very high93.9Very high0 Ų019.4 Ų19.40%010%0.1CC..Hα-helixtrans-65.2-40-178.9-46.90000111.2E105 Q135 V136 N142 A143E105-S139 VanDerWaalsContact OE2-CA 3.28Å; E105-S139 WeakPolarHBondContact OE2-CA 3.47Å; E105-S139 VanDerWaalsContact OE2-CB 3.32Å; E105-S139 WeakPolarHBondContact OE2-CB 3.3Å; Q135-S139 PolarHBondContact O-N 3.45Å; Q135-S139 PolarHBondContact O-OG 3.41Å; V136-S139 PolarHBondContact O-N 2.92Å; S139-N142 PolarHBondContact O-N 3.34Å; S139-A143 PolarHBondContact O-N 2.94Å
140M98.4Very high94.7Very high12 Ų1219.5 Ų19.56%0.05910%0.101CC..Hα-helixtrans-64.9-39.2174.1-169.2161.66100112.2C117 Q118 L121 V136 C137 L138 A143 Y144C117-M140 HydrophobicContact CB-CB 3.83Å; C117-M140 HydrophobicContact CB-CG 4.11Å; C117-M140 HydrophobicContact CB-SD 3.93Å; Q118-M140 HydrophobicContact CG-SD 4.5Å; L121-M140 HydrophobicContact CD1-CE 3.42Å; L121-M140 VanDerWaalsContact CD1-CE 3.42Å; L121-M140 HydrophobicContact CD1-SD 4.25Å; V136-M140 WeakPolarHBondContact O-CB 3.45Å; V136-M140 PolarHBondContact O-N 2.97Å; C137-M140 PolarHBondContact O-N 3.45Å; L138-M140 VanDerWaalsContact C-N 3.34Å; L138-M140 PolarHBondContact O-N 3.37Å; M140-A143 PolarHBondContact O-N 3.41Å; M140-Y144 HydrophobicContact CG-CD2 3.85Å; M140-Y144 HydrophobicContact CG-CE2 3.47Å; M140-Y144 VanDerWaalsContact CG-CE2 3.47Å; M140-Y144 WeakPolarHBondContact O-CD2 3.37Å; M140-Y144 PolarHBondContact O-N 3.35Å; M140-Y144 HydrophobicContact SD-CE2 4.03Å
141G98.3Very high95.3Very high0 Ų018.1 Ų18.10%09%0.091CC..Hα-helixtrans-63.2-43.4174.300000112.7C137 L138 A143 Y144 L145 A153 S156 Y157C137-G141 PolarHBondContact O-N 3.26Å; L138-G141 PolarHBondContact O-N 3.14Å; G141-A143 VanDerWaalsContact C-N 3.33Å; G141-A143 PolarHBondContact O-N 2.98Å; G141-Y144 PolarHBondContact O-N 2.91Å; G141-L145 WeakPolarHBondContact O-CB 3.41Å; G141-L145 PolarHBondContact O-N 3.2Å; G141-A153 WeakPolarHBondContact O-CB 3.46Å; G141-S156 VanDerWaalsContact CA-CB 3.49Å; G141-Y157 VanDerWaalsContact C-CE1 3.5Å; G141-Y157 VanDerWaalsContact C-OH 3.31Å; G141-Y157 PolarHBondContact O-OH 3.35Å
142N98.4Very high95.8Very high31 Ų3118.1 Ų18.117%0.1669%0.09CC..Hα-helixtrans-61.9-40.7174.9-70.7-10.9000111.6E105 L138 S139 L145 G146 Y157 S179E105-N142 HydrophobicContact CG-CB 4.13Å; E105-N142 PolarHBondContact OE1-ND2 2.9Å; L138-N142 PolarHBondContact O-N 3.15Å; S139-N142 PolarHBondContact O-N 3.34Å; N142-L145 PolarHBondContact O-N 2.89Å; N142-G146 PolarHBondContact O-N 3.46Å; N142-Y157 WeakPolarHBondContact CA-OH 3.37Å; N142-Y157 PolarHBondContact N-OH 2.88Å; N142-Y157 WeakPolarHBondContact OD1-CE1 3.46Å; N142-Y157 PolarHBondContact OD1-OH 3.27Å; N142-Y157 VanDerWaalsContact OD1-OH 3.06Å; N142-S179 PolarHBondContact OD1-OG 3.07Å
143A98.5Very high96.1Very high0 Ų017.7 Ų17.70%09%0.087CC..Hα-helixtrans-66.4-44.4176.600000112.5F110 T113 V114 S139 M140 G141 L145 G146 L147F110-A143 HydrophobicContact CB-CB 4.17Å; F110-A143 HydrophobicContact CD1-CB 4.26Å; T113-A143 HydrophobicContact CG2-CB 3.59Å; V114-A143 HydrophobicContact CG2-CB 3.83Å; S139-A143 PolarHBondContact O-N 2.94Å; M140-A143 PolarHBondContact O-N 3.41Å; G141-A143 VanDerWaalsContact C-N 3.33Å; G141-A143 PolarHBondContact O-N 2.98Å; A143-L145 VanDerWaalsContact C-N 3.3Å; A143-L145 PolarHBondContact O-N 3.45Å; A143-G146 CarbonylContact O-C 3.56Å; A143-G146 WeakPolarHBondContact O-CA 3.45Å; A143-G146 PolarHBondContact O-N 3.39Å; A143-G146 VanDerWaalsContact O-N 3.11Å; A143-L147 WeakPolarHBondContact O-CG 3.41Å; A143-L147 PolarHBondContact O-N 3.3Å
144Y98.2Very high96.2Very high25 Ų2517.2 Ų17.210%0.0989%0.085CC..Hα-helixtrans-62.3-37.5173.5-76.5-50.9000112.3V114 M140 G141 G146 L147 S148 V149 K152V114-Y144 HydrophobicContact CG1-CE1 4.14Å; V114-Y144 HydrophobicContact CG2-CD1 4.16Å; V114-Y144 HydrophobicContact CG2-CE1 3.91Å; M140-Y144 HydrophobicContact CG-CD2 3.85Å; M140-Y144 HydrophobicContact CG-CE2 3.47Å; M140-Y144 VanDerWaalsContact CG-CE2 3.47Å; M140-Y144 WeakPolarHBondContact O-CD2 3.37Å; M140-Y144 PolarHBondContact O-N 3.35Å; M140-Y144 HydrophobicContact SD-CE2 4.03Å; G141-Y144 PolarHBondContact O-N 2.91Å; Y144-G146 VanDerWaalsContact C-N 3.34Å; Y144-L147 CarbonylContact O-C 3.51Å; Y144-L147 PolarHBondContact O-N 2.86Å; Y144-S148 PolarHBondContact O-N 3.4Å; Y144-V149 HydrophobicContact CD1-CB 4.07Å; Y144-V149 HydrophobicContact CD1-CG1 4.42Å; Y144-V149 HydrophobicContact CD1-CG2 4.49Å; Y144-V149 PolarHBondContact O-N 2.87Å; Y144-K152 HydrophobicContact CD1-CB 3.9Å; Y144-K152 HydrophobicContact CD1-CD 4.09Å; Y144-K152 HydrophobicContact CD2-CB 3.58Å; Y144-K152 HydrophobicContact CE1-CB 4.08Å; Y144-K152 HydrophobicContact CE1-CD 3.57Å; Y144-K152 HydrophobicContact CE1-CG 4.48Å; Y144-K152 HydrophobicContact CE2-CB 3.76Å; Y144-K152 HydrophobicContact CE2-CD 4.25Å; Y144-K152 HydrophobicContact CG-CB 3.66Å
145L97.7Very high96.1Very high19 Ų1920.8 Ų20.810%0.09910%0.102CC..Hα-helixtrans-63.3-41.3172.2179.460.6000111.3G141 N142 A143 L147 S148 F150 A153 N182 I183 Q186G141-L145 WeakPolarHBondContact O-CB 3.41Å; G141-L145 PolarHBondContact O-N 3.2Å; N142-L145 PolarHBondContact O-N 2.89Å; A143-L145 VanDerWaalsContact C-N 3.3Å; A143-L145 PolarHBondContact O-N 3.45Å; L145-L147 VanDerWaalsContact C-N 3.28Å; L145-L147 PolarHBondContact O-N 2.94Å; L145-S148 WeakPolarHBondContact O-CA 3.45Å; L145-S148 PolarHBondContact O-N 3.27Å; L145-F150 HydrophobicContact CD1-CD1 4.03Å; L145-F150 HydrophobicContact CD1-CE1 3.83Å; L145-A153 HydrophobicContact CB-CB 4.2Å; L145-N182 HydrophobicContact CD2-CB 4.48Å; L145-I183 HydrophobicContact CD1-CB 4Å; L145-I183 HydrophobicContact CD1-CD1 4.21Å; L145-I183 HydrophobicContact CD1-CG1 3.96Å; L145-I183 HydrophobicContact CD2-CB 4.29Å; L145-Q186 HydrophobicContact CD1-CG 4.47Å
146G97.3Very high96.2Very high4 Ų420.1 Ų20.14%0.04110%0.099CC..Hα-helixtrans-61.2-32.7173.300000113.8N142 A143 Y144 S148 N332N142-G146 PolarHBondContact O-N 3.46Å; A143-G146 CarbonylContact O-C 3.56Å; A143-G146 WeakPolarHBondContact O-CA 3.45Å; A143-G146 PolarHBondContact O-N 3.39Å; A143-G146 VanDerWaalsContact O-N 3.11Å; Y144-G146 VanDerWaalsContact C-N 3.34Å; G146-S148 VanDerWaalsContact C-N 3.29Å; G146-N332 PolarHBondContact O-ND2 3Å
147L96.7Very high96.2Very high22 Ų2220.1 Ų20.112%0.11510%0.099CC..THydrogen-bonded Turntrans-84.5-2.3172.7-65.9170000113.5F110 Q111 V114 A143 Y144 L145 V149F110-L147 HydrophobicContact CB-CD1 4.03Å; F110-L147 HydrophobicContact CB-CD2 3.84Å; F110-L147 HydrophobicContact CB-CG 3.6Å; F110-L147 HydrophobicContact CD2-CD2 4.39Å; F110-L147 HydrophobicContact CD2-CG 4.49Å; F110-L147 HydrophobicContact CG-CG 4.39Å; Q111-L147 HydrophobicContact CG-CD2 4.39Å; V114-L147 HydrophobicContact CG2-CD1 4.33Å; A143-L147 WeakPolarHBondContact O-CG 3.41Å; A143-L147 PolarHBondContact O-N 3.3Å; Y144-L147 CarbonylContact O-C 3.51Å; Y144-L147 PolarHBondContact O-N 2.86Å; L145-L147 VanDerWaalsContact C-N 3.28Å; L145-L147 PolarHBondContact O-N 2.94Å; L147-V149 HydrophobicContact CB-CG2 3.95Å; L147-V149 PolarHBondContact O-N 3.45Å
148S95.4Very high96.1Very high2 Ų220.9 Ų20.91%0.01410%0.102CC..THydrogen-bonded Turntrans6226.9-174.3-42.80000114.4Y144 L145 G146 F150 L334Y144-S148 PolarHBondContact O-N 3.4Å; L145-S148 WeakPolarHBondContact O-CA 3.45Å; L145-S148 PolarHBondContact O-N 3.27Å; G146-S148 VanDerWaalsContact C-N 3.29Å; S148-F150 WeakPolarHBondContact O-CD2 2.94Å; S148-F150 WeakPolarHBondContact O-CE2 3.04Å; S148-F150 PolarHBondContact O-N 3.01Å; S148-L334 WeakPolarHBondContact OG-CB 3.41Å; S148-L334 PolarHBondContact OG-N 3Å
149V94.8Very high95.9Very high48 Ų4824.6 Ų24.629%0.29112%0.118SC..  trans-92.274.4174.1-169.80000109.3Y144 L147 Q151 K152 A153Y144-V149 HydrophobicContact CD1-CB 4.07Å; Y144-V149 HydrophobicContact CD1-CG1 4.42Å; Y144-V149 HydrophobicContact CD1-CG2 4.49Å; Y144-V149 PolarHBondContact O-N 2.87Å; L147-V149 HydrophobicContact CB-CG2 3.95Å; L147-V149 PolarHBondContact O-N 3.45Å; V149-Q151 PolarHBondContact O-N 3.21Å; V149-K152 HydrophobicContact CG1-CB 3.9Å; V149-K152 HydrophobicContact CG1-CD 3.83Å; V149-K152 HydrophobicContact CG1-CG 3.77Å; V149-K152 PolarHBondContact O-N 3.2Å; V149-A153 PolarHBondContact O-N 3.47Å
150F92.1Very high95.8Very high4 Ų424.6 Ų24.62%0.01812%0.118CC..Hα-helixtrans-61-38.7-166.5-63.3-75.1000114.7L145 S148 A153 L154 I183 Q186 L187 L334 L370 L372L145-F150 HydrophobicContact CD1-CD1 4.03Å; L145-F150 HydrophobicContact CD1-CE1 3.83Å; S148-F150 WeakPolarHBondContact O-CD2 2.94Å; S148-F150 WeakPolarHBondContact O-CE2 3.04Å; S148-F150 PolarHBondContact O-N 3.01Å; F150-A153 WeakPolarHBondContact O-CB 3.1Å; F150-A153 PolarHBondContact O-N 3.4Å; F150-L154 PolarHBondContact O-N 2.87Å; F150-I183 HydrophobicContact CB-CD1 4.34Å; F150-I183 HydrophobicContact CD1-CD1 3.94Å; F150-I183 HydrophobicContact CD1-CG1 3.85Å; F150-I183 HydrophobicContact CE1-CG1 4.49Å; F150-Q186 HydrophobicContact CE1-CB 3.76Å; F150-Q186 HydrophobicContact CE1-CG 4.45Å; F150-Q186 HydrophobicContact CZ-CB 4.17Å; F150-L187 HydrophobicContact CB-CD2 4.27Å; F150-L187 HydrophobicContact CD1-CD2 4.06Å; F150-L187 HydrophobicContact CD1-CG 4.38Å; F150-L187 HydrophobicContact CD2-CD2 4.42Å; F150-L187 HydrophobicContact CE1-CD2 4.48Å; F150-L187 HydrophobicContact CG-CD2 4Å; F150-L334 HydrophobicContact CZ-CD1 4.48Å; F150-L334 HydrophobicContact CZ-CD2 4.03Å; F150-L370 HydrophobicContact CE2-CD2 4.01Å; F150-L372 HydrophobicContact CB-CD2 3.96Å; F150-L372 HydrophobicContact CD2-CD1 3.5Å; F150-L372 HydrophobicContact CD2-CD2 3.64Å; F150-L372 HydrophobicContact CD2-CG 3.69Å; F150-L372 HydrophobicContact CE2-CD1 3.47Å; F150-L372 VanDerWaalsContact CE2-CD1 3.47Å; F150-L372 HydrophobicContact CE2-CD2 4.47Å; F150-L372 HydrophobicContact CE2-CG 4.1Å; F150-L372 HydrophobicContact CG-CD1 4.36Å; F150-L372 HydrophobicContact CG-CD2 4.07Å; F150-L372 HydrophobicContact CZ-CD1 4.32Å
151Q89.9Confident95.6Very high72 Ų7224.6 Ų24.634%0.33612%0.119SC..Hα-helixtrans-63.8-47.1179.8-179.5172.5-800111.8V149 A153 L154 E155 H395V149-Q151 PolarHBondContact O-N 3.21Å; Q151-A153 VanDerWaalsContact C-N 3.28Å; Q151-A153 PolarHBondContact O-N 2.73Å; Q151-L154 PolarHBondContact O-N 3.09Å; Q151-E155 PolarHBondContact O-N 3.48Å; Q151-H395 PolarHBondContact NE2-CD2 3.32Å; Q151-H395 PolarHBondContact NE2-CE1 2.71Å; Q151-H395 VanDerWaalsContact NE2-CE1 3.29Å; Q151-H395 PolarHBondContact NE2-NE2 2.75Å; Q151-H395 PolarHBondContact OE1-CD2 2.63Å
152K93.8Very high95.4Very high103 Ų10330.9 Ų30.945%0.44814%0.142SC..Hα-helixtrans-67.3-32.1177.3-64.5-171.7-175.9174.70111.8Y144 V149 S156Y144-K152 HydrophobicContact CD1-CB 3.9Å; Y144-K152 HydrophobicContact CD1-CD 4.09Å; Y144-K152 HydrophobicContact CD2-CB 3.58Å; Y144-K152 HydrophobicContact CE1-CB 4.08Å; Y144-K152 HydrophobicContact CE1-CD 3.57Å; Y144-K152 HydrophobicContact CE1-CG 4.48Å; Y144-K152 HydrophobicContact CE2-CB 3.76Å; Y144-K152 HydrophobicContact CE2-CD 4.25Å; Y144-K152 HydrophobicContact CG-CB 3.66Å; V149-K152 HydrophobicContact CG1-CB 3.9Å; V149-K152 HydrophobicContact CG1-CD 3.83Å; V149-K152 HydrophobicContact CG1-CG 3.77Å; V149-K152 PolarHBondContact O-N 3.2Å; K152-S156 WeakPolarHBondContact O-CB 2.93Å; K152-S156 PolarHBondContact O-N 3.22Å; K152-S156 PolarHBondContact O-OG 2.93Å
153A96.1Very high95.2Very high0 Ų032.6 Ų32.60%015%0.147CC..Hα-helixtrans-62.3-50.2172.700000111.3G141 L145 V149 F150 Q151 E155 S156 Y157 I183G141-A153 WeakPolarHBondContact O-CB 3.46Å; L145-A153 HydrophobicContact CB-CB 4.2Å; V149-A153 PolarHBondContact O-N 3.47Å; F150-A153 WeakPolarHBondContact O-CB 3.1Å; F150-A153 PolarHBondContact O-N 3.4Å; Q151-A153 VanDerWaalsContact C-N 3.28Å; Q151-A153 PolarHBondContact O-N 2.73Å; A153-E155 PolarHBondContact O-N 2.95Å; A153-S156 PolarHBondContact O-N 2.88Å; A153-Y157 HydrophobicContact CB-CE2 4.22Å; A153-Y157 VanDerWaalsContact O-CD2 3.24Å; A153-Y157 WeakPolarHBondContact O-CD2 3.42Å; A153-Y157 VanDerWaalsContact O-CG 3.31Å; A153-Y157 PolarHBondContact O-N 3.32Å; A153-I183 HydrophobicContact CB-CD1 3.8Å
154L93.8Very high94.9Very high0 Ų032.6 Ų32.60%015%0.147CC..Hα-helixtrans-60.7-43.5176-74.5-179.9000112.5F150 Q151 S156 Y157 E158 L180 I183 A390 I396F150-L154 PolarHBondContact O-N 2.87Å; Q151-L154 PolarHBondContact O-N 3.09Å; L154-S156 VanDerWaalsContact C-N 3.26Å; L154-S156 PolarHBondContact O-N 3.23Å; L154-Y157 PolarHBondContact O-N 3.43Å; L154-E158 WeakPolarHBondContact O-CB 3.38Å; L154-E158 PolarHBondContact O-N 3.2Å; L154-L180 HydrophobicContact CD2-CD2 3.82Å; L154-I183 HydrophobicContact CD2-CD1 3.9Å; L154-I183 HydrophobicContact CD2-CG2 4.04Å; L154-I183 HydrophobicContact CG-CD1 3.81Å; L154-A390 HydrophobicContact CD1-CB 4.19Å; L154-I396 HydrophobicContact CD1-CD1 3.41Å; L154-I396 VanDerWaalsContact CD1-CD1 3.41Å; L154-I396 HydrophobicContact CD1-CG1 3.45Å; L154-I396 VanDerWaalsContact CD1-CG1 3.45Å
155E93.8Very high94.7Very high75 Ų7535.7 Ų35.735%0.3516%0.162SC..Hα-helixtrans-58.8-41.4176.2-171.3-169.6160.200111.6Q151 A153 E158 K159 S394Q151-E155 PolarHBondContact O-N 3.48Å; A153-E155 PolarHBondContact O-N 2.95Å; E155-E158 PolarHBondContact O-N 2.81Å; E155-K159 WeakPolarHBondContact O-CG 3.01Å; E155-K159 PolarHBondContact O-N 3.03Å; E155-K159 VanDerWaalsContact OE1-CE 3.3Å; E155-K159 WeakPolarHBondContact OE1-CE 3.38Å; E155-K159 IonicContact OE1-NZ 3.58Å; E155-K159 PolarHBondContact OE1-NZ 2.91Å; E155-S394 VanDerWaalsContact CA-OG 3.26Å; E155-S394 WeakPolarHBondContact CA-OG 3.48Å
156S96.8Very high94.4Very high3 Ų341 Ų412%0.02119%0.19CC..Hα-helixtrans-69.3-40.9178.9-56.90000111.8C137 G141 K152 A153 L154 E158 K159 A160C137-S156 WeakPolarHBondContact CB-O 3.3Å; C137-S156 WeakPolarHBondContact O-CB 3.48Å; G141-S156 VanDerWaalsContact CA-CB 3.49Å; K152-S156 WeakPolarHBondContact O-CB 2.93Å; K152-S156 PolarHBondContact O-N 3.22Å; K152-S156 PolarHBondContact O-OG 2.93Å; A153-S156 PolarHBondContact O-N 2.88Å; L154-S156 VanDerWaalsContact C-N 3.26Å; L154-S156 PolarHBondContact O-N 3.23Å; S156-E158 VanDerWaalsContact C-N 3.33Å; S156-K159 PolarHBondContact O-N 3.49Å; S156-A160 WeakPolarHBondContact O-CB 3.27Å; S156-A160 PolarHBondContact O-N 3.5Å
157Y97Very high94.1Very high0 Ų044.5 Ų44.50%021%0.208CC..Hα-helixtrans-65.5-35.6173.4-62.8-35.1000112.5L138 G141 N142 A153 L154 A160 L161 V176 L180 I183L138-Y157 HydrophobicContact CD1-CD1 4.13Å; L138-Y157 HydrophobicContact CD1-CE1 3.96Å; G141-Y157 VanDerWaalsContact C-CE1 3.5Å; G141-Y157 VanDerWaalsContact C-OH 3.31Å; G141-Y157 PolarHBondContact O-OH 3.35Å; N142-Y157 WeakPolarHBondContact CA-OH 3.37Å; N142-Y157 PolarHBondContact N-OH 2.88Å; N142-Y157 WeakPolarHBondContact OD1-CE1 3.46Å; N142-Y157 PolarHBondContact OD1-OH 3.27Å; N142-Y157 VanDerWaalsContact OD1-OH 3.06Å; A153-Y157 HydrophobicContact CB-CE2 4.22Å; A153-Y157 VanDerWaalsContact O-CD2 3.24Å; A153-Y157 WeakPolarHBondContact O-CD2 3.42Å; A153-Y157 VanDerWaalsContact O-CG 3.31Å; A153-Y157 PolarHBondContact O-N 3.32Å; L154-Y157 PolarHBondContact O-N 3.43Å; Y157-A160 PolarHBondContact O-N 3.46Å; Y157-L161 PolarHBondContact O-N 2.95Å; Y157-V176 HydrophobicContact CD1-CG1 4.38Å; Y157-V176 HydrophobicContact CG-CG1 4.35Å; Y157-L180 HydrophobicContact CD2-CD2 3.89Å; Y157-L180 HydrophobicContact CD2-CG 4.42Å; Y157-L180 HydrophobicContact CG-CD2 4.29Å; Y157-I183 HydrophobicContact CD2-CG2 4.41Å; Y157-I183 HydrophobicContact CE2-CB 4.39Å; Y157-I183 HydrophobicContact CE2-CD1 4.34Å; Y157-I183 HydrophobicContact CE2-CG2 4.17Å
158E94.2Very high93.7Very high18 Ų1848.6 Ų48.68%0.08423%0.23CC..Hα-helixtrans-62.9-46.8175-160.2178157.900111.2L154 E155 S156 A160 L161 R162 S394 F422L154-E158 WeakPolarHBondContact O-CB 3.38Å; L154-E158 PolarHBondContact O-N 3.2Å; E155-E158 PolarHBondContact O-N 2.81Å; S156-E158 VanDerWaalsContact C-N 3.33Å; E158-A160 VanDerWaalsContact C-N 3.34Å; E158-A160 PolarHBondContact O-N 3.27Å; E158-L161 PolarHBondContact O-N 3.31Å; E158-R162 WeakPolarHBondContact O-CG 3.3Å; E158-R162 PolarHBondContact O-N 2.92Å; E158-R162 IonicContact OE1-CZ 3.59Å; E158-R162 IonicContact OE1-NE 3.89Å; E158-R162 IonicContact OE1-NH2 2.66Å; E158-R162 PolarHBondContact OE1-NH2 3.22Å; E158-S394 PolarHBondContact OE2-OG 3.42Å; E158-F422 VanDerWaalsContact CA-CZ 3.48Å; E158-F422 HydrophobicContact CB-CE1 3.93Å; E158-F422 HydrophobicContact CB-CE2 4.24Å; E158-F422 HydrophobicContact CB-CZ 3.43Å; E158-F422 VanDerWaalsContact CB-CZ 3.43Å; E158-F422 HydrophobicContact CG-CE1 3.98Å; E158-F422 HydrophobicContact CG-CE2 4.33Å; E158-F422 HydrophobicContact CG-CZ 3.74Å
159K94.4Very high93.5Very high78 Ų7850.3 Ų50.334%0.33924%0.239SC..Hα-helixtrans-59.9-45.5173.8-70.5173-173.5168.70111.1C137 E155 S156 L161 R162 Y163C137-K159 HydrophobicContact CB-CB 4.15Å; E155-K159 WeakPolarHBondContact O-CG 3.01Å; E155-K159 PolarHBondContact O-N 3.03Å; E155-K159 VanDerWaalsContact OE1-CE 3.3Å; E155-K159 WeakPolarHBondContact OE1-CE 3.38Å; E155-K159 IonicContact OE1-NZ 3.58Å; E155-K159 PolarHBondContact OE1-NZ 2.91Å; S156-K159 PolarHBondContact O-N 3.49Å; K159-L161 VanDerWaalsContact C-N 3.34Å; K159-L161 PolarHBondContact O-N 3.39Å; K159-R162 PolarHBondContact O-N 3.42Å; K159-Y163 WeakPolarHBondContact O-CD2 3.36Å; K159-Y163 PolarHBondContact O-N 3.35Å
160A96.3Very high93.3Very high0 Ų049.9 Ų49.90%023%0.234CC..Hα-helixtrans-59.9-41.6178.500000112.5G134 C137 L138 S156 Y157 E158 Y163 A164 V176G134-A160 WeakPolarHBondContact O-CB 3.48Å; C137-A160 HydrophobicContact CB-CB 3.82Å; L138-A160 HydrophobicContact CB-CB 4.22Å; S156-A160 WeakPolarHBondContact O-CB 3.27Å; S156-A160 PolarHBondContact O-N 3.5Å; Y157-A160 PolarHBondContact O-N 3.46Å; E158-A160 VanDerWaalsContact C-N 3.34Å; E158-A160 PolarHBondContact O-N 3.27Å; A160-Y163 PolarHBondContact O-N 3.45Å; A160-A164 WeakPolarHBondContact O-CB 3.24Å; A160-A164 PolarHBondContact O-N 2.99Å; A160-V176 HydrophobicContact CB-CG2 3.59Å
161L94.9Very high93.2Very high13 Ų1352 Ų527%0.06824%0.244CC..Hα-helixtrans-66-41.8175.4-92.2162.6000112.8Y157 E158 K159 Y163 A164 H165 E173 V176 L180 F422Y157-L161 PolarHBondContact O-N 2.95Å; E158-L161 PolarHBondContact O-N 3.31Å; K159-L161 VanDerWaalsContact C-N 3.34Å; K159-L161 PolarHBondContact O-N 3.39Å; L161-Y163 VanDerWaalsContact C-N 3.3Å; L161-Y163 PolarHBondContact O-N 3.26Å; L161-A164 WeakPolarHBondContact O-CB 3.41Å; L161-A164 PolarHBondContact O-N 3.13Å; L161-A164 VanDerWaalsContact O-N 3.12Å; L161-H165 PolarHBondContact O-N 3.39Å; L161-E173 HydrophobicContact CD2-CB 4.46Å; L161-E173 HydrophobicContact CD2-CG 3.78Å; L161-V176 HydrophobicContact CD1-CB 4.42Å; L161-V176 HydrophobicContact CD1-CG1 3.65Å; L161-V176 HydrophobicContact CD2-CB 4.39Å; L161-V176 HydrophobicContact CD2-CG1 4.45Å; L161-V176 HydrophobicContact CG-CB 3.95Å; L161-V176 HydrophobicContact CG-CG1 3.56Å; L161-L180 HydrophobicContact CD1-CD1 3.51Å; L161-F422 HydrophobicContact CD1-CD1 3.61Å; L161-F422 HydrophobicContact CD1-CE1 3.48Å; L161-F422 VanDerWaalsContact CD1-CE1 3.48Å
162R94.1Very high93.3Very high131 Ų13148.6 Ų48.649%0.49423%0.228SC..Hα-helixtrans-58.9-43174.2-68.4177.4-162.3-173.95.7111.4E158 K159 H165 N166E158-R162 WeakPolarHBondContact O-CG 3.3Å; E158-R162 PolarHBondContact O-N 2.92Å; E158-R162 IonicContact OE1-CZ 3.59Å; E158-R162 IonicContact OE1-NE 3.89Å; E158-R162 IonicContact OE1-NH2 2.66Å; E158-R162 PolarHBondContact OE1-NH2 3.22Å; K159-R162 PolarHBondContact O-N 3.42Å; R162-H165 PolarHBondContact O-N 3.02Å; R162-N166 VanDerWaalsContact O-CB 3.31Å; R162-N166 WeakPolarHBondContact O-CB 3.5Å; R162-N166 PolarHBondContact O-N 2.76Å; R162-N166 PolarHBondContact O-ND2 3.36Å; R162-N166 PolarHBondContact O-OD1 3.31Å
163Y93.8Very high93.4Very high67 Ų6744.2 Ų44.226%0.26321%0.209SC..Hα-helixtrans-64-42.2173.4-76.3-64.5000112.2N133 G134 K159 A160 L161 H165 N166 N167N133-Y163 HydrophobicContact CB-CD1 4.14Å; N133-Y163 HydrophobicContact CB-CD2 4.11Å; N133-Y163 HydrophobicContact CB-CE1 3.71Å; N133-Y163 HydrophobicContact CB-CE2 3.68Å; N133-Y163 HydrophobicContact CB-CG 4.34Å; N133-Y163 VanDerWaalsContact CB-CZ 3.47Å; G134-Y163 VanDerWaalsContact CA-CB 3.48Å; K159-Y163 WeakPolarHBondContact O-CD2 3.36Å; K159-Y163 PolarHBondContact O-N 3.35Å; A160-Y163 PolarHBondContact O-N 3.45Å; L161-Y163 VanDerWaalsContact C-N 3.3Å; L161-Y163 PolarHBondContact O-N 3.26Å; Y163-H165 VanDerWaalsContact C-N 3.33Å; Y163-H165 PolarHBondContact O-N 2.66Å; Y163-N166 PolarHBondContact O-N 3.46Å; Y163-N167 VanDerWaalsContact O-CB 3.23Å; Y163-N167 WeakPolarHBondContact O-CB 3.4Å; Y163-N167 VanDerWaalsContact O-CG 3.27Å; Y163-N167 PolarHBondContact O-N 3.19Å
164A92.8Very high93.3Very high0 Ų044.2 Ų44.20%021%0.209CC..Hα-helixtrans-58.5-45.4177.200000111.6A160 L161 D168 D169 L172 E173A160-A164 WeakPolarHBondContact O-CB 3.24Å; A160-A164 PolarHBondContact O-N 2.99Å; L161-A164 WeakPolarHBondContact O-CB 3.41Å; L161-A164 PolarHBondContact O-N 3.13Å; L161-A164 VanDerWaalsContact O-N 3.12Å; A164-D168 CarbonylContact O-C 3.49Å; A164-D168 WeakPolarHBondContact O-CA 3.46Å; A164-D168 PolarHBondContact O-N 2.9Å; A164-D169 PolarHBondContact O-N 2.89Å; A164-L172 HydrophobicContact CB-CB 4.05Å; A164-L172 HydrophobicContact CB-CD2 3.89Å; A164-L172 HydrophobicContact CB-CG 3.89Å; A164-E173 HydrophobicContact CB-CB 4.01Å
165H92.8Very high93.4Very high91 Ų9146.7 Ų46.742%0.42122%0.219SC..Hα-helixtrans-69.1-44.2178.1-64.8157.8000112.7L161 R162 Y163 N167 D168 E173L161-H165 PolarHBondContact O-N 3.39Å; R162-H165 PolarHBondContact O-N 3.02Å; Y163-H165 VanDerWaalsContact C-N 3.33Å; Y163-H165 PolarHBondContact O-N 2.66Å; H165-N167 VanDerWaalsContact C-N 3.27Å; H165-N167 PolarHBondContact O-N 3.43Å; H165-D168 PolarHBondContact O-N 3.26Å; H165-E173 IonicContact CD2-OE1 2.76Å; H165-E173 IonicContact CD2-OE2 2.73Å; H165-E173 IonicContact CE1-OE1 3.43Å; H165-E173 VanDerWaalsContact NE2-CD 3.28Å; H165-E173 IonicContact NE2-OE1 2.77Å; H165-E173 PolarHBondContact NE2-OE1 2.97Å; H165-E173 IonicContact NE2-OE2 3.95Å
166N92Very high93.5Very high129 Ų12943.1 Ų43.169%0.6920%0.202SC*.Hα-helixtrans-64.8-32.6179.2-71.1-9.4000112.7R162 Y163R162-N166 VanDerWaalsContact O-CB 3.31Å; R162-N166 WeakPolarHBondContact O-CB 3.5Å; R162-N166 PolarHBondContact O-N 2.76Å; R162-N166 PolarHBondContact O-ND2 3.36Å; R162-N166 PolarHBondContact O-OD1 3.31Å; Y163-N166 PolarHBondContact O-N 3.46Å
167N90.1Very high93.5Very high79 Ų7943 Ų4342%0.42220%0.201SC..THydrogen-bonded Turntrans-96.70.8-178.8-62.3-7.1000113Y163 H165 D169Y163-N167 VanDerWaalsContact O-CB 3.23Å; Y163-N167 WeakPolarHBondContact O-CB 3.4Å; Y163-N167 VanDerWaalsContact O-CG 3.27Å; Y163-N167 PolarHBondContact O-N 3.19Å; H165-N167 VanDerWaalsContact C-N 3.27Å; H165-N167 PolarHBondContact O-N 3.43Å; N167-D169 HydrophobicContact CB-CB 4.48Å; N167-D169 PolarHBondContact O-N 3.03Å
168D89.9Confident93.5Very high108 Ų10843.1 Ų43.158%0.57820%0.202SC*.THydrogen-bonded Turntrans50.533.3-169.5-159.835.3000114.3A164 H165 K170A164-D168 CarbonylContact O-C 3.49Å; A164-D168 WeakPolarHBondContact O-CA 3.46Å; A164-D168 PolarHBondContact O-N 2.9Å; H165-D168 PolarHBondContact O-N 3.26Å; D168-K170 PolarHBondContact O-N 2.82Å; D168-K170 VanDerWaalsContact O-N 3.13Å; D168-K170 WeakPolarHBondContact OD1-CE 3.46Å; D168-K170 IonicContact OD1-NZ 2.69Å; D168-K170 PolarHBondContact OD1-NZ 3.05Å
169D90.5Very high93.7Very high37 Ų3743 Ų4320%0.19820%0.203CC..  trans-8584179.7-173.6-9.9000111A164 N167 M171 L172 E173A164-D169 PolarHBondContact O-N 2.89Å; N167-D169 HydrophobicContact CB-CB 4.48Å; N167-D169 PolarHBondContact O-N 3.03Å; D169-M171 PolarHBondContact O-N 2.64Å; D169-M171 WeakPolarHBondContact OD1-CB 3.46Å; D169-M171 PolarHBondContact OD1-N 3.43Å; D169-M171 VanDerWaalsContact OD1-N 3.11Å; D169-L172 HydrophobicContact CB-CB 4.02Å; D169-L172 VanDerWaalsContact CG-CB 3.41Å; D169-L172 PolarHBondContact O-N 3.06Å; D169-L172 PolarHBondContact OD1-N 3.06Å; D169-L172 VanDerWaalsContact OD2-CB 3.31Å; D169-L172 WeakPolarHBondContact OD2-CB 3.49Å; D169-E173 PolarHBondContact O-N 3.19Å
170K90.5Very high93.8Very high40 Ų4039.3 Ų39.317%0.17419%0.187CC..Hα-helixtrans-61.3-26.6177-56.3-51.1-174.4-153.50113.6D168 E173 C174 L203 Y207 W211D168-K170 PolarHBondContact O-N 2.82Å; D168-K170 VanDerWaalsContact O-N 3.13Å; D168-K170 WeakPolarHBondContact OD1-CE 3.46Å; D168-K170 IonicContact OD1-NZ 2.69Å; D168-K170 PolarHBondContact OD1-NZ 3.05Å; K170-E173 IonicContact NZ-OE2 3.66Å; K170-C174 WeakPolarHBondContact O-CB 3.21Å; K170-C174 PolarHBondContact O-N 3.36Å; K170-L203 HydrophobicContact CD-CD2 4.43Å; K170-Y207 HydrophobicContact CG-CD2 4.34Å; K170-Y207 HydrophobicContact CG-CE2 4.5Å; K170-Y207 HydrophobicContact CG-CG 4.41Å; K170-W211 HydrophobicContact CB-CH2 4.33Å; K170-W211 HydrophobicContact CB-CZ2 4.25Å
171M89.8Confident93.9Very high47 Ų4739.4 Ų39.423%0.23219%0.188CC..Hα-helixtrans-71.6-43177.4-68.1-178.4-74.100110.7D169 R175 W211 Y215D169-M171 PolarHBondContact O-N 2.64Å; D169-M171 WeakPolarHBondContact OD1-CB 3.46Å; D169-M171 PolarHBondContact OD1-N 3.43Å; D169-M171 VanDerWaalsContact OD1-N 3.11Å; M171-R175 VanDerWaalsContact O-CG 3.31Å; M171-R175 WeakPolarHBondContact O-CG 3.2Å; M171-R175 PolarHBondContact O-N 3.24Å; M171-R175 VanDerWaalsContact O-N 3.16Å; M171-W211 HydrophobicContact CG-CD2 3.81Å; M171-W211 HydrophobicContact CG-CE3 4.33Å; M171-W211 HydrophobicContact CG-CG 3.9Å; M171-W211 HydrophobicContact CG-CZ2 4.44Å; M171-W211 HydrophobicContact SD-CB 4.12Å; M171-W211 HydrophobicContact SD-CD2 4.46Å; M171-W211 HydrophobicContact SD-CG 3.91Å; M171-Y215 HydrophobicContact CB-CE2 4.25Å; M171-Y215 HydrophobicContact CG-CE2 4.1Å; M171-Y215 HydrophobicContact SD-CE2 4.34Å
172L93.1Very high94Very high2 Ų241.3 Ų41.31%0.0120%0.198CC..Hα-helixtrans-63.6-44.6172.9177.861.2000110.8L138 A164 D169 C174 R175 V176L138-L172 HydrophobicContact CB-CD1 4.04Å; L138-L172 HydrophobicContact CD2-CD1 3.72Å; A164-L172 HydrophobicContact CB-CB 4.05Å; A164-L172 HydrophobicContact CB-CD2 3.89Å; A164-L172 HydrophobicContact CB-CG 3.89Å; D169-L172 HydrophobicContact CB-CB 4.02Å; D169-L172 VanDerWaalsContact CG-CB 3.41Å; D169-L172 PolarHBondContact O-N 3.06Å; D169-L172 PolarHBondContact OD1-N 3.06Å; D169-L172 VanDerWaalsContact OD2-CB 3.31Å; D169-L172 WeakPolarHBondContact OD2-CB 3.49Å; L172-C174 PolarHBondContact O-N 2.89Å; L172-R175 PolarHBondContact O-N 3.38Å; L172-V176 HydrophobicContact CD1-CG2 3.95Å; L172-V176 HydrophobicContact CG-CG2 4.24Å; L172-V176 VanDerWaalsContact O-CG2 3.32Å; L172-V176 WeakPolarHBondContact O-CG2 3.48Å; L172-V176 PolarHBondContact O-N 3.11Å
173E94.5Very high94.1Very high10 Ų1035.1 Ų35.15%0.04718%0.175CC..Hα-helixtrans-54.9-51.1176.9-174.4172.2-170.200111.5L161 A164 H165 D169 K170 R175 V176 C177 L203L161-E173 HydrophobicContact CD2-CB 4.46Å; L161-E173 HydrophobicContact CD2-CG 3.78Å; A164-E173 HydrophobicContact CB-CB 4.01Å; H165-E173 IonicContact CD2-OE1 2.76Å; H165-E173 IonicContact CD2-OE2 2.73Å; H165-E173 IonicContact CE1-OE1 3.43Å; H165-E173 VanDerWaalsContact NE2-CD 3.28Å; H165-E173 IonicContact NE2-OE1 2.77Å; H165-E173 PolarHBondContact NE2-OE1 2.97Å; H165-E173 IonicContact NE2-OE2 3.95Å; D169-E173 PolarHBondContact O-N 3.19Å; K170-E173 IonicContact NZ-OE2 3.66Å; E173-R175 VanDerWaalsContact C-N 3.31Å; E173-R175 PolarHBondContact O-N 3.22Å; E173-V176 PolarHBondContact O-N 3.08Å; E173-C177 PolarHBondContact O-N 2.93Å; E173-C177 PolarHBondContact O-SG 3.31Å; E173-C177 VanDerWaalsContact O-SG 3.35Å; E173-L203 HydrophobicContact CB-CD1 4.18Å; E173-L203 HydrophobicContact CG-CD1 3.62Å
174C94.3Very high94.2Very high0 Ų031.9 Ų31.90%016%0.162CC..Hα-helixtrans-55.7-44.1177.1-1780000112.5K170 L172 C177 C178 A200K170-C174 WeakPolarHBondContact O-CB 3.21Å; K170-C174 PolarHBondContact O-N 3.36Å; L172-C174 PolarHBondContact O-N 2.89Å; C174-C177 PolarHBondContact O-N 3.48Å; C174-C178 PolarHBondContact O-N 3.5Å; C174-C178 PolarHBondContact O-SG 3.23Å; C174-A200 PolarHBondContact SG-O 2.85Å
175R95Very high94.3Very high53 Ų5332.4 Ų32.420%0.217%0.165CC..Hα-helixtrans-66.4-43.1178.3-71.7172.265.4-163.3-8.7112.5L138 M171 L172 E173 C177 C178 S179 Y215L138-R175 HydrophobicContact CD2-CB 3.74Å; L138-R175 VanDerWaalsContact CD2-CZ 3.48Å; L138-R175 VanDerWaalsContact CD2-NH2 3.33Å; M171-R175 VanDerWaalsContact O-CG 3.31Å; M171-R175 WeakPolarHBondContact O-CG 3.2Å; M171-R175 PolarHBondContact O-N 3.24Å; M171-R175 VanDerWaalsContact O-N 3.16Å; L172-R175 PolarHBondContact O-N 3.38Å; E173-R175 VanDerWaalsContact C-N 3.31Å; E173-R175 PolarHBondContact O-N 3.22Å; R175-C177 VanDerWaalsContact C-N 3.31Å; R175-C178 PolarHBondContact O-N 3.01Å; R175-S179 PolarHBondContact O-N 3.35Å; R175-Y215 HydrophobicContact CG-CD1 3.94Å; R175-Y215 HydrophobicContact CG-CE1 3.33Å
176V97.1Very high94.4Very high0 Ų029.9 Ų29.90%015%0.153CC..Hα-helixtrans-65-39.4177.6-178.40000110.1L138 Y157 A160 L161 L172 E173 C178 S179 L180L138-V176 HydrophobicContact CB-CG2 4.46Å; L138-V176 HydrophobicContact CD1-CG2 4.03Å; L138-V176 HydrophobicContact CD2-CG2 4.49Å; Y157-V176 HydrophobicContact CD1-CG1 4.38Å; Y157-V176 HydrophobicContact CG-CG1 4.35Å; A160-V176 HydrophobicContact CB-CG2 3.59Å; L161-V176 HydrophobicContact CD1-CB 4.42Å; L161-V176 HydrophobicContact CD1-CG1 3.65Å; L161-V176 HydrophobicContact CD2-CB 4.39Å; L161-V176 HydrophobicContact CD2-CG1 4.45Å; L161-V176 HydrophobicContact CG-CB 3.95Å; L161-V176 HydrophobicContact CG-CG1 3.56Å; L172-V176 HydrophobicContact CD1-CG2 3.95Å; L172-V176 HydrophobicContact CG-CG2 4.24Å; L172-V176 VanDerWaalsContact O-CG2 3.32Å; L172-V176 WeakPolarHBondContact O-CG2 3.48Å; L172-V176 PolarHBondContact O-N 3.11Å; E173-V176 PolarHBondContact O-N 3.08Å; V176-C178 PolarHBondContact O-N 3.39Å; V176-S179 PolarHBondContact O-N 3.41Å; V176-L180 HydrophobicContact CG1-CD1 4.09Å; V176-L180 HydrophobicContact CG1-CG 4.22Å; V176-L180 WeakPolarHBondContact O-CB 3.08Å; V176-L180 WeakPolarHBondContact O-CG 3.44Å; V176-L180 PolarHBondContact O-N 2.98Å
177C97.1Very high94.5Very high1 Ų123.8 Ų23.81%0.00712%0.121CC..Hα-helixtrans-58.8-44.1173-72.90000112.3E173 C174 R175 S179 L180 G181 F196 A200E173-C177 PolarHBondContact O-N 2.93Å; E173-C177 PolarHBondContact O-SG 3.31Å; E173-C177 VanDerWaalsContact O-SG 3.35Å; C174-C177 PolarHBondContact O-N 3.48Å; R175-C177 VanDerWaalsContact C-N 3.31Å; C177-S179 PolarHBondContact O-N 3.11Å; C177-L180 PolarHBondContact O-N 3.23Å; C177-G181 PolarHBondContact O-N 3.36Å; C177-F196 HydrophobicContact CB-CB 4.31Å; C177-F196 WeakPolarHBondContact CB-O 3.49Å; C177-F196 WeakPolarHBondContact O-CB 3.35Å; C177-A200 HydrophobicContact CB-CB 3.78Å
178C96.9Very high94.6Very high2 Ų223.1 Ų23.11%0.01411%0.114CC..Hα-helixtrans-60.5-44.8173.7-70.20000112.3C174 R175 V176 L180 G181 N182C174-C178 PolarHBondContact O-N 3.5Å; C174-C178 PolarHBondContact O-SG 3.23Å; R175-C178 PolarHBondContact O-N 3.01Å; V176-C178 PolarHBondContact O-N 3.39Å; C178-L180 VanDerWaalsContact C-N 3.34Å; C178-L180 PolarHBondContact O-N 3.47Å; C178-G181 PolarHBondContact O-N 3.36Å; C178-N182 PolarHBondContact O-N 3.36Å; C178-N182 VanDerWaalsContact O-N 3.08Å
179S97.8Very high94.9Very high16 Ų1618.1 Ų18.111%0.1129%0.088CC..Hα-helixtrans-63.8-37.4176.1-72.40000112.7N142 R175 V176 C177 N182 I183N142-S179 PolarHBondContact OD1-OG 3.07Å; R175-S179 PolarHBondContact O-N 3.35Å; V176-S179 PolarHBondContact O-N 3.41Å; C177-S179 PolarHBondContact O-N 3.11Å; S179-N182 PolarHBondContact O-N 3.04Å; S179-I183 PolarHBondContact O-N 3.02Å
180L97.4Very high95.1Very high0 Ų017.9 Ų17.90%08%0.084CC..Hα-helixtrans-63.8-42.6173.2-77.8172.5000111.4L154 Y157 L161 V176 C177 C178 N182 I183 Y184 F196 F422L154-L180 HydrophobicContact CD2-CD2 3.82Å; Y157-L180 HydrophobicContact CD2-CD2 3.89Å; Y157-L180 HydrophobicContact CD2-CG 4.42Å; Y157-L180 HydrophobicContact CG-CD2 4.29Å; L161-L180 HydrophobicContact CD1-CD1 3.51Å; V176-L180 HydrophobicContact CG1-CD1 4.09Å; V176-L180 HydrophobicContact CG1-CG 4.22Å; V176-L180 WeakPolarHBondContact O-CB 3.08Å; V176-L180 WeakPolarHBondContact O-CG 3.44Å; V176-L180 PolarHBondContact O-N 2.98Å; C177-L180 PolarHBondContact O-N 3.23Å; C178-L180 VanDerWaalsContact C-N 3.34Å; C178-L180 PolarHBondContact O-N 3.47Å; L180-N182 VanDerWaalsContact C-N 3.31Å; L180-N182 PolarHBondContact O-N 3.43Å; L180-I183 HydrophobicContact CD2-CG2 4.25Å; L180-I183 WeakPolarHBondContact O-CG2 3.2Å; L180-I183 PolarHBondContact O-N 3.49Å; L180-Y184 HydrophobicContact CD2-CE2 4.41Å; L180-Y184 WeakPolarHBondContact O-CD2 3.45Å; L180-Y184 PolarHBondContact O-N 3.14Å; L180-F196 HydrophobicContact CB-CB 4.09Å; L180-F196 HydrophobicContact CB-CD1 3.98Å; L180-F196 HydrophobicContact CB-CD2 3.84Å; L180-F196 HydrophobicContact CB-CE1 4.37Å; L180-F196 HydrophobicContact CB-CE2 4.27Å; L180-F196 HydrophobicContact CB-CG 3.7Å; L180-F196 HydrophobicContact CD1-CD1 3.78Å; L180-F196 HydrophobicContact CD1-CE1 3.62Å; L180-F196 HydrophobicContact CD1-CG 4.37Å; L180-F196 HydrophobicContact CD1-CZ 4.09Å; L180-F422 HydrophobicContact CD1-CD1 4Å; L180-F422 HydrophobicContact CD1-CE1 3.97Å; L180-F422 HydrophobicContact CD2-CE1 4.41Å; L180-F422 HydrophobicContact CD2-CZ 4.2Å
181G97.1Very high95.3Very high1 Ų121 Ų211%0.0110%0.099CC..Hα-helixtrans-54.7-48.2171.900000111.8C177 C178 Y184 V185C177-G181 PolarHBondContact O-N 3.36Å; C178-G181 PolarHBondContact O-N 3.36Å; G181-Y184 PolarHBondContact O-N 3.31Å; G181-V185 WeakPolarHBondContact O-CG2 3.42Å; G181-V185 PolarHBondContact O-N 3.11Å
182N96.9Very high95.5Very high54 Ų5420.6 Ų20.629%0.28910%0.096SC..Hα-helixtrans-62.7-44.1179.8-172.321.1000113.5L145 C178 S179 L180 Y184 V185 Q186L145-N182 HydrophobicContact CD2-CB 4.48Å; C178-N182 PolarHBondContact O-N 3.36Å; C178-N182 VanDerWaalsContact O-N 3.08Å; S179-N182 PolarHBondContact O-N 3.04Å; L180-N182 VanDerWaalsContact C-N 3.31Å; L180-N182 PolarHBondContact O-N 3.43Å; N182-Y184 VanDerWaalsContact C-N 3.33Å; N182-Y184 PolarHBondContact O-N 3.36Å; N182-V185 WeakPolarHBondContact O-CB 3.38Å; N182-V185 PolarHBondContact O-N 3.16Å; N182-Q186 PolarHBondContact O-N 2.84Å
183I96.2Very high95.7Very high0 Ų020.5 Ų20.50%010%0.096CC..Hα-helixtrans-63.9-39.6177.1-175.9162.1000111.5L145 F150 A153 L154 Y157 S179 L180 V185 Q186 L187L145-I183 HydrophobicContact CD1-CB 4Å; L145-I183 HydrophobicContact CD1-CD1 4.21Å; L145-I183 HydrophobicContact CD1-CG1 3.96Å; L145-I183 HydrophobicContact CD2-CB 4.29Å; F150-I183 HydrophobicContact CB-CD1 4.34Å; F150-I183 HydrophobicContact CD1-CD1 3.94Å; F150-I183 HydrophobicContact CD1-CG1 3.85Å; F150-I183 HydrophobicContact CE1-CG1 4.49Å; A153-I183 HydrophobicContact CB-CD1 3.8Å; L154-I183 HydrophobicContact CD2-CD1 3.9Å; L154-I183 HydrophobicContact CD2-CG2 4.04Å; L154-I183 HydrophobicContact CG-CD1 3.81Å; Y157-I183 HydrophobicContact CD2-CG2 4.41Å; Y157-I183 HydrophobicContact CE2-CB 4.39Å; Y157-I183 HydrophobicContact CE2-CD1 4.34Å; Y157-I183 HydrophobicContact CE2-CG2 4.17Å; S179-I183 PolarHBondContact O-N 3.02Å; L180-I183 HydrophobicContact CD2-CG2 4.25Å; L180-I183 WeakPolarHBondContact O-CG2 3.2Å; L180-I183 PolarHBondContact O-N 3.49Å; I183-V185 VanDerWaalsContact C-N 3.31Å; I183-V185 PolarHBondContact O-N 3.42Å; I183-Q186 PolarHBondContact O-N 3.23Å; I183-L187 HydrophobicContact CG1-CD1 3.92Å; I183-L187 HydrophobicContact CG1-CG 4.28Å; I183-L187 WeakPolarHBondContact O-CG 3.49Å; I183-L187 PolarHBondContact O-N 3.37Å
184Y96.3Very high95.8Very high0 Ų021.2 Ų21.20%010%0.1CC..Hα-helixtrans-68.8-27.7177.4-78.1-63.5000113.3L180 G181 N182 Q186 L187 K188 D189 K192 F196L180-Y184 HydrophobicContact CD2-CE2 4.41Å; L180-Y184 WeakPolarHBondContact O-CD2 3.45Å; L180-Y184 PolarHBondContact O-N 3.14Å; G181-Y184 PolarHBondContact O-N 3.31Å; N182-Y184 VanDerWaalsContact C-N 3.33Å; N182-Y184 PolarHBondContact O-N 3.36Å; Y184-Q186 VanDerWaalsContact C-N 3.33Å; Y184-Q186 PolarHBondContact O-N 3.08Å; Y184-L187 HydrophobicContact CD1-CD1 4.14Å; Y184-L187 HydrophobicContact CE1-CD1 4.3Å; Y184-L187 CarbonylContact O-C 3.59Å; Y184-L187 PolarHBondContact O-N 3.5Å; Y184-K188 PolarHBondContact O-N 3.28Å; Y184-D189 HydrophobicContact CD1-CB 3.89Å; Y184-D189 PolarHBondContact O-N 3.21Å; Y184-K192 HydrophobicContact CD1-CB 3.94Å; Y184-K192 HydrophobicContact CD1-CD 4.17Å; Y184-K192 HydrophobicContact CD2-CB 3.81Å; Y184-K192 HydrophobicContact CE1-CB 4.33Å; Y184-K192 HydrophobicContact CE1-CD 3.73Å; Y184-K192 HydrophobicContact CE2-CB 4.24Å; Y184-K192 HydrophobicContact CE2-CD 4.14Å; Y184-K192 HydrophobicContact CG-CB 3.66Å; Y184-F196 AromaticContact CD2-CD2 3.75Å; Y184-F196 HydrophobicContact CD2-CD2 3.75Å; Y184-F196 AromaticContact CD2-CE2 3.53Å; Y184-F196 HydrophobicContact CD2-CE2 3.53Å; Y184-F196 AromaticContact CE2-CD2 3.96Å; Y184-F196 HydrophobicContact CE2-CD2 3.96Å; Y184-F196 AromaticContact CE2-CE2 3.26Å; Y184-F196 HydrophobicContact CE2-CE2 3.26Å; Y184-F196 HydrophobicContact CE2-CZ 4.05Å
185V96.1Very high96Very high10 Ų1026 Ų266%0.06112%0.121CC..Hα-helixtrans-59.1-43.8166171.10000111.3G181 N182 I183 K188 A193 V225 K229G181-V185 WeakPolarHBondContact O-CG2 3.42Å; G181-V185 PolarHBondContact O-N 3.11Å; N182-V185 WeakPolarHBondContact O-CB 3.38Å; N182-V185 PolarHBondContact O-N 3.16Å; I183-V185 VanDerWaalsContact C-N 3.31Å; I183-V185 PolarHBondContact O-N 3.42Å; V185-K188 PolarHBondContact O-N 3.23Å; V185-A193 HydrophobicContact CB-CB 4.49Å; V185-A193 HydrophobicContact CG2-CB 3.64Å; V185-V225 HydrophobicContact CG1-CG1 4.08Å; V185-V225 HydrophobicContact CG2-CG1 3.97Å; V185-K229 HydrophobicContact CG1-CG 4.16Å
186Q94Very high96.1Very high38 Ų3823.9 Ų23.918%0.17811%0.113CC..Hα-helixtrans-71.4-34.7-179.6-56.2-51.5-37.100112.2L145 F150 N182 I183 Y184 K188 L334L145-Q186 HydrophobicContact CD1-CG 4.47Å; F150-Q186 HydrophobicContact CE1-CB 3.76Å; F150-Q186 HydrophobicContact CE1-CG 4.45Å; F150-Q186 HydrophobicContact CZ-CB 4.17Å; N182-Q186 PolarHBondContact O-N 2.84Å; I183-Q186 PolarHBondContact O-N 3.23Å; Y184-Q186 VanDerWaalsContact C-N 3.33Å; Y184-Q186 PolarHBondContact O-N 3.08Å; Q186-K188 PolarHBondContact O-N 2.89Å; Q186-L334 HydrophobicContact CB-CD2 3.94Å; Q186-L334 HydrophobicContact CG-CD2 3.95Å
187L93.3Very high96.1Very high1 Ų123.9 Ų23.91%0.00511%0.113CC..THydrogen-bonded Turntrans-78.6-0.7175.3-63.3172.1000113.6F150 I183 Y184 D189 L372 I381 G382 L388 I396F150-L187 HydrophobicContact CB-CD2 4.27Å; F150-L187 HydrophobicContact CD1-CD2 4.06Å; F150-L187 HydrophobicContact CD1-CG 4.38Å; F150-L187 HydrophobicContact CD2-CD2 4.42Å; F150-L187 HydrophobicContact CE1-CD2 4.48Å; F150-L187 HydrophobicContact CG-CD2 4Å; I183-L187 HydrophobicContact CG1-CD1 3.92Å; I183-L187 HydrophobicContact CG1-CG 4.28Å; I183-L187 WeakPolarHBondContact O-CG 3.49Å; I183-L187 PolarHBondContact O-N 3.37Å; Y184-L187 HydrophobicContact CD1-CD1 4.14Å; Y184-L187 HydrophobicContact CE1-CD1 4.3Å; Y184-L187 CarbonylContact O-C 3.59Å; Y184-L187 PolarHBondContact O-N 3.5Å; L187-D189 PolarHBondContact O-N 3.12Å; L187-L372 HydrophobicContact CD2-CD1 3.82Å; L187-L372 HydrophobicContact CD2-CD2 3.84Å; L187-I381 HydrophobicContact CD2-CG2 4.11Å; L187-G382 WeakPolarHBondContact O-CA 3.48Å; L187-L388 HydrophobicContact CB-CD1 3.68Å; L187-L388 HydrophobicContact CD1-CD1 4.45Å; L187-I396 HydrophobicContact CD1-CD1 3.72Å; L187-I396 HydrophobicContact CD2-CD1 4.19Å
188K93.8Very high96Very high66 Ų6625.3 Ų25.329%0.28712%0.123SC..THydrogen-bonded Turntrans59.621.6-178.5-55.1-171.5-176.6148.30115.7Y184 V185 Q186 Y190 G382 D383 D385Y184-K188 PolarHBondContact O-N 3.28Å; V185-K188 PolarHBondContact O-N 3.23Å; Q186-K188 PolarHBondContact O-N 2.89Å; K188-Y190 HydrophobicContact CB-CE1 4.14Å; K188-Y190 HydrophobicContact CG-CE1 4.38Å; K188-Y190 PolarHBondContact O-N 3.45Å; K188-G382 WeakPolarHBondContact CD-O 3.41Å; K188-G382 WeakPolarHBondContact CE-O 3.16Å; K188-G382 PolarHBondContact NZ-O 2.8Å; K188-D383 VanDerWaalsContact NZ-C 3.33Å; K188-D383 PolarHBondContact NZ-O 3.04Å; K188-D385 WeakPolarHBondContact O-CA 3.29Å; K188-D385 VanDerWaalsContact O-OD1 3.13Å
189D95.2Very high96Very high3 Ų327.2 Ų27.22%0.01613%0.131CC..  trans-90.185.9166.4-174.1-29.4000108.1Y184 L187 E191 K192 A193 L388Y184-D189 HydrophobicContact CD1-CB 3.89Å; Y184-D189 PolarHBondContact O-N 3.21Å; L187-D189 PolarHBondContact O-N 3.12Å; D189-E191 VanDerWaalsContact C-N 3.32Å; D189-E191 PolarHBondContact O-N 3.39Å; D189-K192 HydrophobicContact CB-CB 4.43Å; D189-K192 PolarHBondContact O-N 2.81Å; D189-K192 WeakPolarHBondContact OD1-CB 3.04Å; D189-K192 PolarHBondContact OD1-N 3.47Å; D189-K192 WeakPolarHBondContact OD2-CD 3.48Å; D189-A193 WeakPolarHBondContact O-CB 3.42Å; D189-A193 PolarHBondContact O-N 2.89Å; D189-L388 HydrophobicContact CB-CB 4.33Å; D189-L388 HydrophobicContact CB-CD1 4.11Å; D189-L388 HydrophobicContact CB-CG 4.16Å; D189-L388 PolarHBondContact OD2-N 3.39Å
190Y95.4Very high95.8Very high31 Ų3126.4 Ų26.412%0.12213%0.125CC..Hα-helixtrans-75.3-22.3-170.2-56.5-42.4000113.6K188 A193 L194 K229 L230 D385K188-Y190 HydrophobicContact CB-CE1 4.14Å; K188-Y190 HydrophobicContact CG-CE1 4.38Å; K188-Y190 PolarHBondContact O-N 3.45Å; Y190-A193 PolarHBondContact O-N 2.93Å; Y190-L194 PolarHBondContact O-N 3.45Å; Y190-L194 VanDerWaalsContact O-N 3.09Å; Y190-K229 HydrophobicContact CD1-CB 3.51Å; Y190-K229 HydrophobicContact CD1-CG 4.07Å; Y190-K229 HydrophobicContact CD2-CB 4.11Å; Y190-K229 HydrophobicContact CE1-CB 3.55Å; Y190-K229 HydrophobicContact CE1-CD 3.92Å; Y190-K229 HydrophobicContact CE1-CG 3.77Å; Y190-K229 HydrophobicContact CE2-CB 4.14Å; Y190-K229 HydrophobicContact CG-CB 3.8Å; Y190-L230 HydrophobicContact CG-CD2 4.5Å; Y190-D385 HydrophobicContact CD2-CB 4.24Å; Y190-D385 HydrophobicContact CE2-CB 4.14Å
191E93.6Very high95.6Very high107 Ų10727.1 Ų27.150%0.513%0.131SC..Hα-helixtrans-65.2-49.3171.5-70.8-174.3-176.300110.5D189 A193 L194 F195 K387D189-E191 VanDerWaalsContact C-N 3.32Å; D189-E191 PolarHBondContact O-N 3.39Å; E191-A193 VanDerWaalsContact C-N 3.33Å; E191-A193 PolarHBondContact O-N 3.16Å; E191-L194 PolarHBondContact O-N 2.94Å; E191-F195 WeakPolarHBondContact O-CB 3.4Å; E191-F195 PolarHBondContact O-N 3.24Å; E191-K387 WeakPolarHBondContact OE1-CE 3.39Å; E191-K387 IonicContact OE1-NZ 3.11Å; E191-K387 PolarHBondContact OE1-NZ 2.92Å; E191-K387 WeakPolarHBondContact OE2-CE 3.43Å; E191-K387 IonicContact OE2-NZ 3.93Å; E191-K387 PolarHBondContact OE2-NZ 3.32Å
192K94.9Very high95.3Very high37 Ų3732.6 Ų32.616%0.16116%0.156CC..Hα-helixtrans-66.6-36.7174.6-74.7-171.3176-179.40112.3Y184 D189 L194 F195 F196 L388Y184-K192 HydrophobicContact CD1-CB 3.94Å; Y184-K192 HydrophobicContact CD1-CD 4.17Å; Y184-K192 HydrophobicContact CD2-CB 3.81Å; Y184-K192 HydrophobicContact CE1-CB 4.33Å; Y184-K192 HydrophobicContact CE1-CD 3.73Å; Y184-K192 HydrophobicContact CE2-CB 4.24Å; Y184-K192 HydrophobicContact CE2-CD 4.14Å; Y184-K192 HydrophobicContact CG-CB 3.66Å; D189-K192 HydrophobicContact CB-CB 4.43Å; D189-K192 PolarHBondContact O-N 2.81Å; D189-K192 WeakPolarHBondContact OD1-CB 3.04Å; D189-K192 PolarHBondContact OD1-N 3.47Å; D189-K192 WeakPolarHBondContact OD2-CD 3.48Å; K192-L194 PolarHBondContact O-N 2.76Å; K192-F195 PolarHBondContact O-N 3.49Å; K192-F196 HydrophobicContact CB-CD2 4.46Å; K192-F196 HydrophobicContact CB-CE2 4.2Å; K192-F196 VanDerWaalsContact O-CD2 3.24Å; K192-F196 WeakPolarHBondContact O-CD2 3.29Å; K192-F196 PolarHBondContact O-N 2.92Å; K192-L388 VanDerWaalsContact CE-O 3.31Å; K192-L388 WeakPolarHBondContact CE-O 3.35Å; K192-L388 PolarHBondContact NZ-O 3.32Å
193A96.5Very high95Very high0 Ų030.8 Ų30.80%015%0.147CC..Hα-helixtrans-57.1-32174.900000113V185 D189 Y190 E191 P197 A226V185-A193 HydrophobicContact CB-CB 4.49Å; V185-A193 HydrophobicContact CG2-CB 3.64Å; D189-A193 WeakPolarHBondContact O-CB 3.42Å; D189-A193 PolarHBondContact O-N 2.89Å; Y190-A193 PolarHBondContact O-N 2.93Å; E191-A193 VanDerWaalsContact C-N 3.33Å; E191-A193 PolarHBondContact O-N 3.16Å; A193-P197 WeakPolarHBondContact O-CD 3.39Å; A193-P197 VanDerWaalsContact O-CG 3.24Å; A193-P197 WeakPolarHBondContact O-CG 3.47Å; A193-A226 HydrophobicContact CB-CB 4.1Å
194L97.7Very high94.6Very high25 Ų2530.9 Ų30.913%0.13115%0.147CC..Hα-helixtrans-85.1-41.1174.7-178.560.9000112.3Y190 E191 K192 F196 P197 C198 M223 A226 Y227 L230Y190-L194 PolarHBondContact O-N 3.45Å; Y190-L194 VanDerWaalsContact O-N 3.09Å; E191-L194 PolarHBondContact O-N 2.94Å; K192-L194 PolarHBondContact O-N 2.76Å; L194-F196 PolarHBondContact O-N 3.05Å; L194-P197 WeakPolarHBondContact O-CD 3.48Å; L194-C198 PolarHBondContact O-N 3.39Å; L194-C198 VanDerWaalsContact O-N 3.13Å; L194-C198 PolarHBondContact O-SG 3.21Å; L194-M223 HydrophobicContact CD1-CB 4.31Å; L194-M223 HydrophobicContact CD1-CG 4.29Å; L194-A226 HydrophobicContact CB-CB 3.91Å; L194-A226 HydrophobicContact CD1-CB 4.19Å; L194-Y227 HydrophobicContact CD1-CD1 4.19Å; L194-Y227 HydrophobicContact CD1-CD2 4.29Å; L194-Y227 HydrophobicContact CD1-CE1 3.8Å; L194-Y227 HydrophobicContact CD1-CE2 3.93Å; L194-Y227 HydrophobicContact CD1-CG 4.4Å; L194-Y227 HydrophobicContact CD2-CD1 4.09Å; L194-Y227 HydrophobicContact CD2-CE1 3.49Å; L194-Y227 VanDerWaalsContact CD2-CE1 3.49Å; L194-Y227 HydrophobicContact CG-CE1 4.32Å; L194-L230 HydrophobicContact CB-CD1 4.35Å; L194-L230 HydrophobicContact CD2-CD1 3.9Å
195F97.1Very high94.2Very high102 Ų10235.5 Ų35.545%0.44717%0.172SC..Hα-helixtrans-54.1-50.5-177.9172.9-100.5000112.9E191 K192 C198 K199E191-F195 WeakPolarHBondContact O-CB 3.4Å; E191-F195 PolarHBondContact O-N 3.24Å; K192-F195 PolarHBondContact O-N 3.49Å; F195-C198 WeakPolarHBondContact O-CB 3.46Å; F195-C198 PolarHBondContact O-N 3.08Å; F195-K199 HydrophobicContact CE1-CD 4.45Å; F195-K199 HydrophobicContact CZ-CD 4.48Å; F195-K199 PolarHBondContact O-N 3.47Å
196F97.1Very high93.6Very high7 Ų740.9 Ų40.93%0.03120%0.2CC..Hα-helixtrans-67.4-45.5-174.4-69.7-76.3000113.5C177 L180 Y184 K192 L194 C198 K199 A200 F422C177-F196 HydrophobicContact CB-CB 4.31Å; C177-F196 WeakPolarHBondContact CB-O 3.49Å; C177-F196 WeakPolarHBondContact O-CB 3.35Å; L180-F196 HydrophobicContact CB-CB 4.09Å; L180-F196 HydrophobicContact CB-CD1 3.98Å; L180-F196 HydrophobicContact CB-CD2 3.84Å; L180-F196 HydrophobicContact CB-CE1 4.37Å; L180-F196 HydrophobicContact CB-CE2 4.27Å; L180-F196 HydrophobicContact CB-CG 3.7Å; L180-F196 HydrophobicContact CD1-CD1 3.78Å; L180-F196 HydrophobicContact CD1-CE1 3.62Å; L180-F196 HydrophobicContact CD1-CG 4.37Å; L180-F196 HydrophobicContact CD1-CZ 4.09Å; Y184-F196 AromaticContact CD2-CD2 3.75Å; Y184-F196 HydrophobicContact CD2-CD2 3.75Å; Y184-F196 AromaticContact CD2-CE2 3.53Å; Y184-F196 HydrophobicContact CD2-CE2 3.53Å; Y184-F196 AromaticContact CE2-CD2 3.96Å; Y184-F196 HydrophobicContact CE2-CD2 3.96Å; Y184-F196 AromaticContact CE2-CE2 3.26Å; Y184-F196 HydrophobicContact CE2-CE2 3.26Å; Y184-F196 HydrophobicContact CE2-CZ 4.05Å; K192-F196 HydrophobicContact CB-CD2 4.46Å; K192-F196 HydrophobicContact CB-CE2 4.2Å; K192-F196 VanDerWaalsContact O-CD2 3.24Å; K192-F196 WeakPolarHBondContact O-CD2 3.29Å; K192-F196 PolarHBondContact O-N 2.92Å; L194-F196 PolarHBondContact O-N 3.05Å; F196-C198 VanDerWaalsContact C-N 3.29Å; F196-C198 PolarHBondContact O-N 3.29Å; F196-K199 WeakPolarHBondContact O-CB 3.46Å; F196-K199 PolarHBondContact O-N 3Å; F196-A200 PolarHBondContact O-N 3.25Å; F196-F422 HydrophobicContact CE1-CB 4.31Å; F196-F422 HydrophobicContact CZ-CB 4.01Å
197P96.9Very high92.8Very high0 Ų045.1 Ų45.10%022%0.215CC..Hα-helixtrans-60.4-32.8171.7-28.538.5000114.1A193 L194 A200 A201 H222 M223A193-P197 WeakPolarHBondContact O-CD 3.39Å; A193-P197 VanDerWaalsContact O-CG 3.24Å; A193-P197 WeakPolarHBondContact O-CG 3.47Å; L194-P197 WeakPolarHBondContact O-CD 3.48Å; P197-A200 WeakPolarHBondContact O-CB 3.46Å; P197-A200 PolarHBondContact O-N 2.76Å; P197-A201 PolarHBondContact O-N 3.42Å; P197-H222 HydrophobicContact CB-CB 3.83Å; P197-H222 HydrophobicContact CG-CB 3.54Å; P197-M223 HydrophobicContact CB-CG 3.6Å
198C96.7Very high91.3Very high32 Ų3245.7 Ų45.722%0.21622%0.222CC..Hα-helixtrans-63.8-48171.6-70.80000111.5L194 F195 F196 A200 A201 E202L194-C198 PolarHBondContact O-N 3.39Å; L194-C198 VanDerWaalsContact O-N 3.13Å; L194-C198 PolarHBondContact O-SG 3.21Å; F195-C198 WeakPolarHBondContact O-CB 3.46Å; F195-C198 PolarHBondContact O-N 3.08Å; F196-C198 VanDerWaalsContact C-N 3.29Å; F196-C198 PolarHBondContact O-N 3.29Å; C198-A200 VanDerWaalsContact C-N 3.25Å; C198-A200 PolarHBondContact O-N 3.39Å; C198-A201 WeakPolarHBondContact O-CA 3.15Å; C198-A201 WeakPolarHBondContact O-CB 3.43Å; C198-A201 PolarHBondContact O-N 3.28Å; C198-E202 WeakPolarHBondContact O-CG 3.44Å; C198-E202 PolarHBondContact O-N 3.03Å
199K95.3Very high89.7Confident41 Ų4153 Ų5318%0.17825%0.253CS..Hα-helixtrans-56.7-40.9173.4-173.1173.6-175.8172.30111.4F195 F196 A201 E202 L203 V423F195-K199 HydrophobicContact CE1-CD 4.45Å; F195-K199 HydrophobicContact CZ-CD 4.48Å; F195-K199 PolarHBondContact O-N 3.47Å; F196-K199 WeakPolarHBondContact O-CB 3.46Å; F196-K199 PolarHBondContact O-N 3Å; K199-A201 VanDerWaalsContact C-N 3.33Å; K199-A201 PolarHBondContact O-N 3.03Å; K199-E202 PolarHBondContact O-N 3.37Å; K199-L203 WeakPolarHBondContact O-CG 3.19Å; K199-L203 PolarHBondContact O-N 3.03Å; K199-V423 PolarHBondContact NZ-OXT 3.48Å
200A94.2Very high87.8Confident0 Ų058.4 Ų58.40%029%0.292CS..Hα-helixtrans-62.6-37.9174.800000112.5C174 C177 F196 P197 C198 V204 S219C174-A200 PolarHBondContact SG-O 2.85Å; C177-A200 HydrophobicContact CB-CB 3.78Å; F196-A200 PolarHBondContact O-N 3.25Å; P197-A200 WeakPolarHBondContact O-CB 3.46Å; P197-A200 PolarHBondContact O-N 2.76Å; C198-A200 VanDerWaalsContact C-N 3.25Å; C198-A200 PolarHBondContact O-N 3.39Å; A200-V204 VanDerWaalsContact O-CG2 3.24Å; A200-V204 WeakPolarHBondContact O-CG2 3.48Å; A200-V204 PolarHBondContact O-N 3.46Å; A200-S219 VanDerWaalsContact CB-OG 3.27Å; A200-S219 WeakPolarHBondContact CB-OG 3.44Å
201A92.8Very high86.3Confident14 Ų1459.6 Ų59.612%0.11630%0.296CS..Hα-helixtrans-70.7-37.8176.100000112.7P197 C198 K199 V204 N205 M223P197-A201 PolarHBondContact O-N 3.42Å; C198-A201 WeakPolarHBondContact O-CA 3.15Å; C198-A201 WeakPolarHBondContact O-CB 3.43Å; C198-A201 PolarHBondContact O-N 3.28Å; K199-A201 VanDerWaalsContact C-N 3.33Å; K199-A201 PolarHBondContact O-N 3.03Å; A201-V204 PolarHBondContact O-N 2.96Å; A201-N205 PolarHBondContact O-N 3.38Å; A201-N205 PolarHBondContact O-ND2 3.4Å; A201-M223 HydrophobicContact CB-SD 4.32Å
202E92.1Very high85.2Confident116 Ų11655.4 Ų55.454%0.54228%0.278SS..Hα-helixtrans-60.8-49.6173.6-71.5168.9-175.900111.1C198 K199 V204 N205 D206C198-E202 WeakPolarHBondContact O-CG 3.44Å; C198-E202 PolarHBondContact O-N 3.03Å; K199-E202 PolarHBondContact O-N 3.37Å; E202-V204 PolarHBondContact O-N 3.28Å; E202-N205 WeakPolarHBondContact O-CA 3.4Å; E202-N205 WeakPolarHBondContact O-CB 3.45Å; E202-N205 PolarHBondContact O-N 3.04Å; E202-D206 PolarHBondContact O-N 3.49Å
203L90.5Very high84.5Confident17 Ų1756.8 Ų56.89%0.08929%0.287CS..Hα-helixtrans-55.2-38.1174.9-71.2170.7000112.5K170 E173 K199 Y207K170-L203 HydrophobicContact CD-CD2 4.43Å; E173-L203 HydrophobicContact CB-CD1 4.18Å; E173-L203 HydrophobicContact CG-CD1 3.62Å; K199-L203 WeakPolarHBondContact O-CG 3.19Å; K199-L203 PolarHBondContact O-N 3.03Å; L203-Y207 HydrophobicContact CD2-CE2 4.33Å; L203-Y207 WeakPolarHBondContact O-CD2 3.16Å; L203-Y207 PolarHBondContact O-N 3.23Å
204V88.3Confident83.8Confident1 Ų160.3 Ų60.31%0.00630%0.303CS..Hα-helixtrans-69-36.1176.4172.20000111.7A200 A201 E202 G208 W211 S212 R216A200-V204 VanDerWaalsContact O-CG2 3.24Å; A200-V204 WeakPolarHBondContact O-CG2 3.48Å; A200-V204 PolarHBondContact O-N 3.46Å; A201-V204 PolarHBondContact O-N 2.96Å; E202-V204 PolarHBondContact O-N 3.28Å; V204-G208 WeakPolarHBondContact O-CA 3.42Å; V204-G208 PolarHBondContact O-N 3.16Å; V204-W211 HydrophobicContact CB-CZ3 4.31Å; V204-W211 HydrophobicContact CG2-CE3 4.44Å; V204-W211 HydrophobicContact CG2-CZ3 3.77Å; V204-S212 WeakPolarHBondContact CG1-O 3.4Å; V204-R216 HydrophobicContact CG1-CB 3.92Å
205N86.1Confident83.3Confident97 Ų9760.4 Ų60.452%0.51930%0.301SS..Hα-helixtrans-70.7-39.7178.5-69.6-25.3000111.9A201 E202 R216A201-N205 PolarHBondContact O-N 3.38Å; A201-N205 PolarHBondContact O-ND2 3.4Å; E202-N205 WeakPolarHBondContact O-CA 3.4Å; E202-N205 WeakPolarHBondContact O-CB 3.45Å; E202-N205 PolarHBondContact O-N 3.04Å; N205-R216 PolarHBondContact OD1-NH2 3.06Å
206D84.4Confident83Confident123 Ų12359.3 Ų59.366%0.65829%0.294SS*.Hα-helixtrans-73.2-34.9-175.9-66.4-16000112.8E202E202-D206 PolarHBondContact O-N 3.49Å
207Y77.8Confident82.9Confident128 Ų12859 Ų5950%0.50229%0.293SS..Hα-helixtrans-119.42-170.2-60-83.5000114.5K170 L203 K209K170-Y207 HydrophobicContact CG-CD2 4.34Å; K170-Y207 HydrophobicContact CG-CE2 4.5Å; K170-Y207 HydrophobicContact CG-CG 4.41Å; L203-Y207 HydrophobicContact CD2-CE2 4.33Å; L203-Y207 WeakPolarHBondContact O-CD2 3.16Å; L203-Y207 PolarHBondContact O-N 3.23Å; Y207-K209 PolarHBondContact O-N 3.16Å; Y207-K209 VanDerWaalsContact O-N 3.07Å
208G61.4Low82.8Confident13 Ų1361.4 Ų61.413%0.13431%0.305CS..  trans-79.525.9-157.800000120.6V204 S210 S212V204-G208 WeakPolarHBondContact O-CA 3.42Å; V204-G208 PolarHBondContact O-N 3.16Å; G208-S210 VanDerWaalsContact C-N 3.27Å; G208-S210 PolarHBondContact O-N 3.44Å; G208-S210 VanDerWaalsContact O-N 3.16Å; G208-S212 WeakPolarHBondContact O-CB 3.31Å; G208-S212 PolarHBondContact O-OG 3.05Å
209K59.6Low82.8Confident219 Ų21959.9 Ų59.995%0.95229%0.294SS*.THydrogen-bonded Turntrans-67.5-17-174.2-74.8-175.3179.6177.50115.8Y207Y207-K209 PolarHBondContact O-N 3.16Å; Y207-K209 VanDerWaalsContact O-N 3.07Å
210S56.3Low82.9Confident117 Ų11759.8 Ų59.882%0.81830%0.295SS*.THydrogen-bonded Turntrans-134.6-29.5-176.2171.50000116.4G208G208-S210 VanDerWaalsContact C-N 3.27Å; G208-S210 PolarHBondContact O-N 3.44Å; G208-S210 VanDerWaalsContact O-N 3.16Å
211W63.1Low83.1Confident55 Ų5560.6 Ų60.621%0.20830%0.298CS..THydrogen-bonded Turntrans-107.32.7179.244.9-97.6000113.7K170 M171 V204 L213 Y215K170-W211 HydrophobicContact CB-CH2 4.33Å; K170-W211 HydrophobicContact CB-CZ2 4.25Å; M171-W211 HydrophobicContact CG-CD2 3.81Å; M171-W211 HydrophobicContact CG-CE3 4.33Å; M171-W211 HydrophobicContact CG-CG 3.9Å; M171-W211 HydrophobicContact CG-CZ2 4.44Å; M171-W211 HydrophobicContact SD-CB 4.12Å; M171-W211 HydrophobicContact SD-CD2 4.46Å; M171-W211 HydrophobicContact SD-CG 3.91Å; V204-W211 HydrophobicContact CB-CZ3 4.31Å; V204-W211 HydrophobicContact CG2-CE3 4.44Å; V204-W211 HydrophobicContact CG2-CZ3 3.77Å; W211-L213 PolarHBondContact O-N 3.46Å; W211-Y215 HydrophobicContact CB-CD2 4.11Å; W211-Y215 HydrophobicContact CB-CE2 4.07Å; W211-Y215 HydrophobicContact CD2-CD2 4.36Å; W211-Y215 AromaticContact CE3-CD2 3.68Å; W211-Y215 HydrophobicContact CE3-CD2 3.68Å; W211-Y215 HydrophobicContact CE3-CE2 4.37Å; W211-Y215 HydrophobicContact CE3-CG 4.48Å; W211-Y215 HydrophobicContact CZ3-CD2 4.46Å; W211-Y215 VanDerWaalsContact O-CD2 3.24Å; W211-Y215 WeakPolarHBondContact O-CD2 3.4Å
212S69.6Low83.3Confident20 Ų2061.2 Ų61.214%0.1430%0.299CS..Hα-helixtrans-62.8-43.2-164.845.50000115.1V204 G208 K214 Y215 R216V204-S212 WeakPolarHBondContact CG1-O 3.4Å; G208-S212 WeakPolarHBondContact O-CB 3.31Å; G208-S212 PolarHBondContact O-OG 3.05Å; S212-K214 PolarHBondContact O-N 3.29Å; S212-Y215 PolarHBondContact O-N 3.07Å; S212-R216 WeakPolarHBondContact O-CA 3.5Å; S212-R216 WeakPolarHBondContact O-CB 3.34Å; S212-R216 PolarHBondContact O-N 3.42Å
213L80.3Confident83.7Confident66 Ų6656.6 Ų56.635%0.34628%0.278SS..Hα-helixtrans-67.3-44.6-163.7-66.2177.3000112.5W211 R216 A217 I246 H250W211-L213 PolarHBondContact O-N 3.46Å; L213-R216 PolarHBondContact O-N 3.4Å; L213-A217 WeakPolarHBondContact O-CB 3.43Å; L213-A217 PolarHBondContact O-N 2.9Å; L213-I246 HydrophobicContact CB-CG2 3.98Å; L213-I246 WeakPolarHBondContact O-CG2 3.38Å; L213-H250 WeakPolarHBondContact CD1-NE2 3.48Å
214K83.4Confident84Confident74 Ų7455.8 Ų55.832%0.32227%0.273SS..Hα-helixtrans-59.8-50.3176.6-176.3-178.8-170.7175.10111.7E66 S212 A217 M218E66-K214 IonicContact OE1-NZ 2.77Å; E66-K214 PolarHBondContact OE1-NZ 3.31Å; S212-K214 PolarHBondContact O-N 3.29Å; K214-A217 PolarHBondContact O-N 2.95Å; K214-M218 WeakPolarHBondContact O-CG 3.24Å; K214-M218 PolarHBondContact O-N 3.07Å
215Y87.5Confident84.5Confident26 Ų2656.5 Ų56.510%0.10228%0.278CS..Hα-helixtrans-71.6-32-178.3-65.8-59.6000112.3M171 R175 W211 S212 M218 S219M171-Y215 HydrophobicContact CB-CE2 4.25Å; M171-Y215 HydrophobicContact CG-CE2 4.1Å; M171-Y215 HydrophobicContact SD-CE2 4.34Å; R175-Y215 HydrophobicContact CG-CD1 3.94Å; R175-Y215 HydrophobicContact CG-CE1 3.33Å; W211-Y215 HydrophobicContact CB-CD2 4.11Å; W211-Y215 HydrophobicContact CB-CE2 4.07Å; W211-Y215 HydrophobicContact CD2-CD2 4.36Å; W211-Y215 AromaticContact CE3-CD2 3.68Å; W211-Y215 HydrophobicContact CE3-CD2 3.68Å; W211-Y215 HydrophobicContact CE3-CE2 4.37Å; W211-Y215 HydrophobicContact CE3-CG 4.48Å; W211-Y215 HydrophobicContact CZ3-CD2 4.46Å; W211-Y215 VanDerWaalsContact O-CD2 3.24Å; W211-Y215 WeakPolarHBondContact O-CD2 3.4Å; S212-Y215 PolarHBondContact O-N 3.07Å; Y215-M218 HydrophobicContact CD1-SD 4.17Å; Y215-M218 HydrophobicContact CE1-SD 4.48Å; Y215-M218 PolarHBondContact O-N 3.04Å; Y215-S219 WeakPolarHBondContact O-CB 3.24Å; Y215-S219 PolarHBondContact O-N 3.03Å; Y215-S219 PolarHBondContact O-OG 2.98Å
216R90.7Very high85.1Confident79 Ų7951.9 Ų51.930%0.29825%0.253SS..Hα-helixtrans-59.2-49.3168.4-179.6174.3-77.6174.8-4.7110.3V204 N205 S212 L213 M218 S219 Q220 I246V204-R216 HydrophobicContact CG1-CB 3.92Å; N205-R216 PolarHBondContact OD1-NH2 3.06Å; S212-R216 WeakPolarHBondContact O-CA 3.5Å; S212-R216 WeakPolarHBondContact O-CB 3.34Å; S212-R216 PolarHBondContact O-N 3.42Å; L213-R216 PolarHBondContact O-N 3.4Å; R216-M218 VanDerWaalsContact C-N 3.33Å; R216-M218 PolarHBondContact O-N 3.23Å; R216-S219 PolarHBondContact O-N 2.89Å; R216-Q220 HydrophobicContact CG-CG 4.34Å; R216-Q220 WeakPolarHBondContact O-CB 3.44Å; R216-Q220 VanDerWaalsContact O-CG 3.23Å; R216-Q220 WeakPolarHBondContact O-CG 3.05Å; R216-Q220 PolarHBondContact O-N 3.26Å; R216-I246 HydrophobicContact CB-CD1 4.43Å; R216-I246 HydrophobicContact CG-CD1 4.07Å
217A93.9Very high85.8Confident1 Ų147.5 Ų47.51%0.00823%0.227CC..Hα-helixtrans-61.9-42179.500000111.6L213 K214 F221 S243 I246 L255L213-A217 WeakPolarHBondContact O-CB 3.43Å; L213-A217 PolarHBondContact O-N 2.9Å; K214-A217 PolarHBondContact O-N 2.95Å; A217-F221 WeakPolarHBondContact O-CB 3.14Å; A217-F221 PolarHBondContact O-N 3.36Å; A217-S243 WeakPolarHBondContact O-CB 3.38Å; A217-S243 PolarHBondContact O-OG 2.94Å; A217-I246 HydrophobicContact CB-CB 3.76Å; A217-I246 HydrophobicContact CB-CD1 4.01Å; A217-I246 HydrophobicContact CB-CG1 4.5Å; A217-I246 HydrophobicContact CB-CG2 3.74Å; A217-L255 HydrophobicContact CB-CD2 3.47Å; A217-L255 VanDerWaalsContact CB-CD2 3.47Å
218M94.9Very high86.8Confident50 Ų5042.6 Ų42.625%0.24621%0.208CC..Hα-helixtrans-62.5-47.9173.9-71.9-178.462.400112.4K214 Y215 R216 Q220 F221 H222K214-M218 WeakPolarHBondContact O-CG 3.24Å; K214-M218 PolarHBondContact O-N 3.07Å; Y215-M218 HydrophobicContact CD1-SD 4.17Å; Y215-M218 HydrophobicContact CE1-SD 4.48Å; Y215-M218 PolarHBondContact O-N 3.04Å; R216-M218 VanDerWaalsContact C-N 3.33Å; R216-M218 PolarHBondContact O-N 3.23Å; M218-Q220 PolarHBondContact O-N 3.25Å; M218-F221 WeakPolarHBondContact O-CB 3.39Å; M218-F221 PolarHBondContact O-N 2.86Å; M218-H222 PolarHBondContact O-CD2 3.19Å; M218-H222 PolarHBondContact O-N 3.42Å
219S95.8Very high88.5Confident0 Ų045.4 Ų45.40%022%0.217CC..Hα-helixtrans-60-45.9177.7-60.50000111.3A200 Y215 R216 F221 H222 M223A200-S219 VanDerWaalsContact CB-OG 3.27Å; A200-S219 WeakPolarHBondContact CB-OG 3.44Å; Y215-S219 WeakPolarHBondContact O-CB 3.24Å; Y215-S219 PolarHBondContact O-N 3.03Å; Y215-S219 PolarHBondContact O-OG 2.98Å; R216-S219 PolarHBondContact O-N 2.89Å; S219-F221 VanDerWaalsContact C-N 3.33Å; S219-F221 PolarHBondContact O-N 2.93Å; S219-H222 PolarHBondContact O-N 3.21Å; S219-M223 VanDerWaalsContact O-CG 3.3Å; S219-M223 WeakPolarHBondContact O-CG 3.24Å; S219-M223 PolarHBondContact O-N 3.23Å
220Q97.8Very high90.3Very high39 Ų3937.4 Ų37.418%0.18218%0.184CC..Hα-helixtrans-60.5-40.8176-71.3-64-20.900112R216 M218 M223 S224 C239 E242R216-Q220 HydrophobicContact CG-CG 4.34Å; R216-Q220 WeakPolarHBondContact O-CB 3.44Å; R216-Q220 VanDerWaalsContact O-CG 3.23Å; R216-Q220 WeakPolarHBondContact O-CG 3.05Å; R216-Q220 PolarHBondContact O-N 3.26Å; M218-Q220 PolarHBondContact O-N 3.25Å; Q220-M223 PolarHBondContact O-N 3.23Å; Q220-S224 WeakPolarHBondContact O-CB 3.16Å; Q220-S224 PolarHBondContact O-N 2.79Å; Q220-C239 WeakPolarHBondContact O-CB 3.15Å; Q220-C239 PolarHBondContact OE1-SG 3.36Å; Q220-E242 HydrophobicContact CG-CG 4.33Å
221F98.5Very high92.2Very high17 Ų1740 Ų408%0.07518%0.183CC..Hα-helixtrans-60-48.9173.9169.2-101.8000111.8A217 M218 S219 M223 S224 V225 S243 L255 L258 N262A217-F221 WeakPolarHBondContact O-CB 3.14Å; A217-F221 PolarHBondContact O-N 3.36Å; M218-F221 WeakPolarHBondContact O-CB 3.39Å; M218-F221 PolarHBondContact O-N 2.86Å; S219-F221 VanDerWaalsContact C-N 3.33Å; S219-F221 PolarHBondContact O-N 2.93Å; F221-M223 PolarHBondContact O-N 2.97Å; F221-S224 VanDerWaalsContact O-CB 3.3Å; F221-S224 WeakPolarHBondContact O-CB 3.34Å; F221-S224 PolarHBondContact O-N 3.12Å; F221-V225 HydrophobicContact CE1-CG2 4.05Å; F221-V225 HydrophobicContact CE2-CG2 3.95Å; F221-V225 HydrophobicContact CZ-CG2 3.68Å; F221-V225 WeakPolarHBondContact O-CG2 3.5Å; F221-V225 PolarHBondContact O-N 2.99Å; F221-S243 WeakPolarHBondContact CB-OG 3.46Å; F221-L255 HydrophobicContact CB-CD1 3.92Å; F221-L255 HydrophobicContact CD1-CD1 4.49Å; F221-L255 HydrophobicContact CG-CD1 4.05Å; F221-L258 HydrophobicContact CD2-CB 4.18Å; F221-L258 HydrophobicContact CE1-CB 4.2Å; F221-L258 HydrophobicContact CE1-CD1 4.11Å; F221-L258 HydrophobicContact CE2-CB 3.64Å; F221-L258 WeakPolarHBondContact CE2-O 3.22Å; F221-L258 HydrophobicContact CZ-CB 3.65Å; F221-L258 HydrophobicContact CZ-CD1 4.34Å; F221-L258 HydrophobicContact CZ-CD2 4.24Å; F221-L258 HydrophobicContact CZ-CG 4.3Å; F221-N262 HydrophobicContact CE2-CB 3.94Å
222H98.4Very high93.8Very high28 Ų2842.6 Ų42.613%0.1319%0.193CC..Hα-helixtrans-67.2-36.8-179.7-74.5-71.8000112.7P197 M218 S219 S224 V225 A226P197-H222 HydrophobicContact CB-CB 3.83Å; P197-H222 HydrophobicContact CG-CB 3.54Å; M218-H222 PolarHBondContact O-CD2 3.19Å; M218-H222 PolarHBondContact O-N 3.42Å; S219-H222 PolarHBondContact O-N 3.21Å; H222-S224 VanDerWaalsContact C-N 3.31Å; H222-S224 PolarHBondContact O-N 3Å; H222-V225 PolarHBondContact O-N 3.31Å; H222-A226 PolarHBondContact O-N 2.84Å
223M98.6Very high95.2Very high19 Ų1943.1 Ų43.19%0.09419%0.194CC..Hα-helixtrans-58.9-44170.1-71173.863.600111.1L194 P197 A201 S219 Q220 F221 V225 A226 Y227L194-M223 HydrophobicContact CD1-CB 4.31Å; L194-M223 HydrophobicContact CD1-CG 4.29Å; P197-M223 HydrophobicContact CB-CG 3.6Å; A201-M223 HydrophobicContact CB-SD 4.32Å; S219-M223 VanDerWaalsContact O-CG 3.3Å; S219-M223 WeakPolarHBondContact O-CG 3.24Å; S219-M223 PolarHBondContact O-N 3.23Å; Q220-M223 PolarHBondContact O-N 3.23Å; F221-M223 PolarHBondContact O-N 2.97Å; M223-V225 VanDerWaalsContact C-N 3.34Å; M223-V225 PolarHBondContact O-N 3.12Å; M223-A226 PolarHBondContact O-N 3.06Å; M223-Y227 HydrophobicContact CB-CD2 4.36Å; M223-Y227 HydrophobicContact CB-CE2 4.25Å; M223-Y227 HydrophobicContact CE-CE2 3.93Å; M223-Y227 VanDerWaalsContact O-CD2 3.26Å; M223-Y227 WeakPolarHBondContact O-CD2 3.31Å; M223-Y227 PolarHBondContact O-N 3.06Å
224S98.7Very high96.1Very high0 Ų044.6 Ų44.60%021%0.207CC..Hα-helixtrans-59.4-43.2177.3178.50000112.6Q220 F221 H222 R228 A236 C240 N262Q220-S224 WeakPolarHBondContact O-CB 3.16Å; Q220-S224 PolarHBondContact O-N 2.79Å; F221-S224 VanDerWaalsContact O-CB 3.3Å; F221-S224 WeakPolarHBondContact O-CB 3.34Å; F221-S224 PolarHBondContact O-N 3.12Å; H222-S224 VanDerWaalsContact C-N 3.31Å; H222-S224 PolarHBondContact O-N 3Å; S224-R228 WeakPolarHBondContact O-CB 3.46Å; S224-R228 PolarHBondContact O-N 3.37Å; S224-A236 WeakPolarHBondContact CB-O 3.22Å; S224-A236 WeakPolarHBondContact O-CB 3.4Å; S224-A236 PolarHBondContact OG-O 3.2Å; S224-C240 WeakPolarHBondContact OG-CB 3.43Å; S224-N262 PolarHBondContact OG-ND2 2.86Å
225V98.7Very high96.8Very high16 Ų1644.2 Ų44.210%0.09721%0.209CC..Hα-helixtrans-61.7-44.5175.5177.30000110.6V185 F221 H222 M223 R228 K229V185-V225 HydrophobicContact CG1-CG1 4.08Å; V185-V225 HydrophobicContact CG2-CG1 3.97Å; F221-V225 HydrophobicContact CE1-CG2 4.05Å; F221-V225 HydrophobicContact CE2-CG2 3.95Å; F221-V225 HydrophobicContact CZ-CG2 3.68Å; F221-V225 WeakPolarHBondContact O-CG2 3.5Å; F221-V225 PolarHBondContact O-N 2.99Å; H222-V225 PolarHBondContact O-N 3.31Å; M223-V225 VanDerWaalsContact C-N 3.34Å; M223-V225 PolarHBondContact O-N 3.12Å; V225-R228 PolarHBondContact O-N 3.11Å; V225-K229 WeakPolarHBondContact O-CG 3.34Å; V225-K229 PolarHBondContact O-N 3.01Å
226A98.3Very high97.3Very high0 Ų043 Ų430%020%0.204CC..Hα-helixtrans-65.4-46.7178.600000112.3A193 L194 H222 M223 R228 K229 L230A193-A226 HydrophobicContact CB-CB 4.1Å; L194-A226 HydrophobicContact CB-CB 3.91Å; L194-A226 HydrophobicContact CD1-CB 4.19Å; H222-A226 PolarHBondContact O-N 2.84Å; M223-A226 PolarHBondContact O-N 3.06Å; A226-R228 VanDerWaalsContact C-N 3.29Å; A226-R228 PolarHBondContact O-N 3.18Å; A226-K229 WeakPolarHBondContact O-CB 3.5Å; A226-K229 PolarHBondContact O-N 3.35Å; A226-L230 PolarHBondContact O-N 3.42Å
227Y98.6Very high97.7Very high31 Ų3140.2 Ų40.212%0.12220%0.195CC..Hα-helixtrans-58.8-39.5175.8-77.9-49.4000112.5L194 M223 K229 L230 E231 R232 D235L194-Y227 HydrophobicContact CD1-CD1 4.19Å; L194-Y227 HydrophobicContact CD1-CD2 4.29Å; L194-Y227 HydrophobicContact CD1-CE1 3.8Å; L194-Y227 HydrophobicContact CD1-CE2 3.93Å; L194-Y227 HydrophobicContact CD1-CG 4.4Å; L194-Y227 HydrophobicContact CD2-CD1 4.09Å; L194-Y227 HydrophobicContact CD2-CE1 3.49Å; L194-Y227 VanDerWaalsContact CD2-CE1 3.49Å; L194-Y227 HydrophobicContact CG-CE1 4.32Å; M223-Y227 HydrophobicContact CB-CD2 4.36Å; M223-Y227 HydrophobicContact CB-CE2 4.25Å; M223-Y227 HydrophobicContact CE-CE2 3.93Å; M223-Y227 VanDerWaalsContact O-CD2 3.26Å; M223-Y227 WeakPolarHBondContact O-CD2 3.31Å; M223-Y227 PolarHBondContact O-N 3.06Å; Y227-K229 VanDerWaalsContact C-N 3.29Å; Y227-K229 PolarHBondContact O-N 3.24Å; Y227-L230 CarbonylContact O-C 3.45Å; Y227-L230 PolarHBondContact O-N 3.21Å; Y227-E231 PolarHBondContact O-N 3.13Å; Y227-R232 HydrophobicContact CD1-CB 4.07Å; Y227-R232 VanDerWaalsContact CE1-CZ 3.41Å; Y227-R232 PolarHBondContact O-N 3.18Å; Y227-D235 HydrophobicContact CD1-CB 4.01Å; Y227-D235 HydrophobicContact CD2-CB 3.82Å; Y227-D235 HydrophobicContact CE1-CB 4.31Å; Y227-D235 HydrophobicContact CE2-CB 4.11Å; Y227-D235 HydrophobicContact CG-CB 3.78Å
228R98.3Very high97.9Very high24 Ų2442 Ų429%0.09121%0.213CC..Hα-helixtrans-61.2-39.8174.7176.8178.559.8114.4-16.5111.7S224 V225 A226 L230 E231 L233 A236 N262 D265 I266S224-R228 WeakPolarHBondContact O-CB 3.46Å; S224-R228 PolarHBondContact O-N 3.37Å; V225-R228 PolarHBondContact O-N 3.11Å; A226-R228 VanDerWaalsContact C-N 3.29Å; A226-R228 PolarHBondContact O-N 3.18Å; R228-L230 VanDerWaalsContact C-N 3.32Å; R228-E231 PolarHBondContact O-N 2.97Å; R228-E231 VanDerWaalsContact O-N 3.16Å; R228-L233 HydrophobicContact CG-CD2 4.22Å; R228-A236 HydrophobicContact CB-CB 3.98Å; R228-N262 PolarHBondContact NE-OD1 2.86Å; R228-N262 PolarHBondContact NH2-OD1 2.9Å; R228-N262 VanDerWaalsContact NH2-OD1 3.16Å; R228-D265 VanDerWaalsContact CZ-CB 3.46Å; R228-D265 VanDerWaalsContact CZ-CG 3.48Å; R228-D265 IonicContact CZ-OD2 2.76Å; R228-D265 VanDerWaalsContact NH1-CB 3.28Å; R228-D265 IonicContact NH1-OD1 3.92Å; R228-D265 PolarHBondContact NH1-OD1 3.14Å; R228-D265 IonicContact NH1-OD2 2.93Å; R228-D265 PolarHBondContact NH1-OD2 3.24Å; R228-D265 IonicContact NH2-OD2 3.84Å; R228-D265 PolarHBondContact NH2-OD2 3.3Å; R228-I266 HydrophobicContact CB-CG1 4.46Å; R228-I266 HydrophobicContact CG-CG1 4.29Å
229K97.4Very high98.1Very high73 Ų7340.3 Ų40.332%0.31721%0.206SC..Hα-helixtrans-70.3-28.9177.7-68.2-65.5-175.7175.60113.3V185 Y190 V225 A226 Y227 E231V185-K229 HydrophobicContact CG1-CG 4.16Å; Y190-K229 HydrophobicContact CD1-CB 3.51Å; Y190-K229 HydrophobicContact CD1-CG 4.07Å; Y190-K229 HydrophobicContact CD2-CB 4.11Å; Y190-K229 HydrophobicContact CE1-CB 3.55Å; Y190-K229 HydrophobicContact CE1-CD 3.92Å; Y190-K229 HydrophobicContact CE1-CG 3.77Å; Y190-K229 HydrophobicContact CE2-CB 4.14Å; Y190-K229 HydrophobicContact CG-CB 3.8Å; V225-K229 WeakPolarHBondContact O-CG 3.34Å; V225-K229 PolarHBondContact O-N 3.01Å; A226-K229 WeakPolarHBondContact O-CB 3.5Å; A226-K229 PolarHBondContact O-N 3.35Å; Y227-K229 VanDerWaalsContact C-N 3.29Å; Y227-K229 PolarHBondContact O-N 3.24Å; K229-E231 PolarHBondContact O-N 3.46Å
230L96.8Very high98.2Very high51 Ų5140.3 Ų40.327%0.26721%0.206SC..THydrogen-bonded Turntrans-81.48.2170-67.3167.7000113.2Y190 L194 A226 Y227 R228 R232Y190-L230 HydrophobicContact CG-CD2 4.5Å; L194-L230 HydrophobicContact CB-CD1 4.35Å; L194-L230 HydrophobicContact CD2-CD1 3.9Å; A226-L230 PolarHBondContact O-N 3.42Å; Y227-L230 CarbonylContact O-C 3.45Å; Y227-L230 PolarHBondContact O-N 3.21Å; R228-L230 VanDerWaalsContact C-N 3.32Å; L230-R232 HydrophobicContact CB-CG 4.39Å; L230-R232 PolarHBondContact O-N 3.18Å
231E96.6Very high98.3Very high170 Ų17043.6 Ų43.679%0.79422%0.221SC*.THydrogen-bonded Turntrans59.614-177.5-54.8-172.2166.700115.2Y227 R228 K229 L233Y227-E231 PolarHBondContact O-N 3.13Å; R228-E231 PolarHBondContact O-N 2.97Å; R228-E231 VanDerWaalsContact O-N 3.16Å; K229-E231 PolarHBondContact O-N 3.46Å; E231-L233 PolarHBondContact O-N 3.35Å
232R98.3Very high98.2Very high111 Ų11146.1 Ų46.142%0.41923%0.233SC..  trans-82.363.6173.5-67.9177.559.1174.61110.4Y227 L230 P234 D235 A236Y227-R232 HydrophobicContact CD1-CB 4.07Å; Y227-R232 VanDerWaalsContact CE1-CZ 3.41Å; Y227-R232 PolarHBondContact O-N 3.18Å; L230-R232 HydrophobicContact CB-CG 4.39Å; L230-R232 PolarHBondContact O-N 3.18Å; R232-P234 VanDerWaalsContact C-CD 3.48Å; R232-D235 HydrophobicContact CB-CB 4.32Å; R232-D235 IonicContact CZ-OD2 3.52Å; R232-D235 IonicContact NE-OD2 2.76Å; R232-D235 PolarHBondContact NE-OD2 3.46Å; R232-D235 IonicContact NH2-OD1 2.64Å; R232-D235 IonicContact NH2-OD2 2.66Å; R232-D235 PolarHBondContact NH2-OD2 2.98Å; R232-D235 PolarHBondContact O-N 3.49Å; R232-A236 WeakPolarHBondContact O-CB 3.43Å; R232-A236 PolarHBondContact O-N 3.24Å
233L98.3Very high98.2Very high30 Ų3044.8 Ų44.816%0.15723%0.227CC..Hα-helixtrans-61-31.6-171.6-56-175.7000115.4R228 E231 M237 C269 R270R228-L233 HydrophobicContact CG-CD2 4.22Å; E231-L233 PolarHBondContact O-N 3.35Å; L233-M237 WeakPolarHBondContact O-CB 3.33Å; L233-M237 PolarHBondContact O-N 2.85Å; L233-M237 VanDerWaalsContact O-N 3.07Å; L233-C269 HydrophobicContact CD1-CB 4.08Å; L233-C269 HydrophobicContact CD2-CB 3.98Å; L233-R270 HydrophobicContact CD1-CG 3.64Å; L233-R270 PolarHBondContact O-NH2 2.99Å
234P98.4Very high98.1Very high98 Ų9845.3 Ų45.364%0.63623%0.23SC*.Hα-helixtrans-66.5-46.9173-2436.1000112.8R232 A236 M237 G238R232-P234 VanDerWaalsContact C-CD 3.48Å; P234-A236 VanDerWaalsContact C-N 3.32Å; P234-A236 PolarHBondContact O-N 2.95Å; P234-M237 WeakPolarHBondContact O-CB 3.32Å; P234-M237 PolarHBondContact O-N 3.4Å; P234-M237 VanDerWaalsContact O-N 3.15Å; P234-G238 PolarHBondContact O-N 3.48Å
235D98.4Very high98Very high65 Ų6550.7 Ų50.735%0.34825%0.253SS..Hα-helixtrans-63.5-41.3177.5-58.6-45000110.9Y227 R232 M237 G238 C239Y227-D235 HydrophobicContact CD1-CB 4.01Å; Y227-D235 HydrophobicContact CD2-CB 3.82Å; Y227-D235 HydrophobicContact CE1-CB 4.31Å; Y227-D235 HydrophobicContact CE2-CB 4.11Å; Y227-D235 HydrophobicContact CG-CB 3.78Å; R232-D235 HydrophobicContact CB-CB 4.32Å; R232-D235 IonicContact CZ-OD2 3.52Å; R232-D235 IonicContact NE-OD2 2.76Å; R232-D235 PolarHBondContact NE-OD2 3.46Å; R232-D235 IonicContact NH2-OD1 2.64Å; R232-D235 IonicContact NH2-OD2 2.66Å; R232-D235 PolarHBondContact NH2-OD2 2.98Å; R232-D235 PolarHBondContact O-N 3.49Å; D235-M237 VanDerWaalsContact C-N 3.31Å; D235-M237 PolarHBondContact O-N 3.35Å; D235-G238 PolarHBondContact O-N 3.07Å; D235-C239 WeakPolarHBondContact O-CB 3.36Å; D235-C239 PolarHBondContact O-N 3.39Å
236A98.6Very high97.8Very high0 Ų050.2 Ų50.20%025%0.25CC..Hα-helixtrans-57-45.4173.600000111.6S224 R228 R232 P234 C240 I266S224-A236 WeakPolarHBondContact CB-O 3.22Å; S224-A236 WeakPolarHBondContact O-CB 3.4Å; S224-A236 PolarHBondContact OG-O 3.2Å; R228-A236 HydrophobicContact CB-CB 3.98Å; R232-A236 WeakPolarHBondContact O-CB 3.43Å; R232-A236 PolarHBondContact O-N 3.24Å; P234-A236 VanDerWaalsContact C-N 3.32Å; P234-A236 PolarHBondContact O-N 2.95Å; A236-C240 WeakPolarHBondContact O-CB 3.46Å; A236-C240 PolarHBondContact O-N 3.19Å; A236-I266 HydrophobicContact CB-CD1 3.91Å; A236-I266 HydrophobicContact CB-CG1 4.27Å
237M98.6Very high97.5Very high22 Ų2250.3 Ų50.311%0.10825%0.25CS..Hα-helixtrans-61.8-50.4178.2-169.86877.700111.1L233 P234 D235 C239 C240 E241 F263 I266L233-M237 WeakPolarHBondContact O-CB 3.33Å; L233-M237 PolarHBondContact O-N 2.85Å; L233-M237 VanDerWaalsContact O-N 3.07Å; P234-M237 WeakPolarHBondContact O-CB 3.32Å; P234-M237 PolarHBondContact O-N 3.4Å; P234-M237 VanDerWaalsContact O-N 3.15Å; D235-M237 VanDerWaalsContact C-N 3.31Å; D235-M237 PolarHBondContact O-N 3.35Å; M237-C239 PolarHBondContact O-N 3.02Å; M237-C240 WeakPolarHBondContact O-CB 3.47Å; M237-C240 PolarHBondContact O-N 2.91Å; M237-C240 VanDerWaalsContact O-N 3.09Å; M237-E241 HydrophobicContact CG-CG 4.36Å; M237-E241 WeakPolarHBondContact O-CG 3.39Å; M237-E241 PolarHBondContact O-N 3.25Å; M237-F263 HydrophobicContact SD-CD1 3.47Å; M237-F263 WeakPolarHBondContact SD-CD1 3.32Å; M237-F263 HydrophobicContact SD-CE1 3.5Å; M237-F263 WeakPolarHBondContact SD-CE1 3.38Å; M237-I266 HydrophobicContact CE-CB 4.38Å; M237-I266 HydrophobicContact CE-CG2 3.63Å; M237-I266 HydrophobicContact SD-CD1 4.47Å
238G98.6Very high97.3Very high37 Ų3753.6 Ų53.638%0.38127%0.27SS..Hα-helixtrans-59.8-44.9-178.500000113.2P234 D235 C240 E241 E242P234-G238 PolarHBondContact O-N 3.48Å; D235-G238 PolarHBondContact O-N 3.07Å; G238-C240 VanDerWaalsContact C-N 3.33Å; G238-C240 PolarHBondContact O-N 3.26Å; G238-E241 PolarHBondContact O-N 2.98Å; G238-E242 PolarHBondContact O-N 3.27Å
239C98.5Very high96.8Very high15 Ų1557.8 Ų57.810%0.10129%0.29CS..Hα-helixtrans-62.9-37.9174.7-73.30000112.5Q220 D235 M237 S243Q220-C239 WeakPolarHBondContact O-CB 3.15Å; Q220-C239 PolarHBondContact OE1-SG 3.36Å; D235-C239 WeakPolarHBondContact O-CB 3.36Å; D235-C239 PolarHBondContact O-N 3.39Å; M237-C239 PolarHBondContact O-N 3.02Å; C239-S243 WeakPolarHBondContact O-CB 3.3Å; C239-S243 PolarHBondContact O-N 3.45Å; C239-S243 VanDerWaalsContact O-N 3.11Å
240C98.5Very high96.2Very high0 Ų058.9 Ų58.90%030%0.296CS..Hα-helixtrans-70-38.8178.5-154.10000111.9S224 A236 M237 G238 S243 M244 F263 I266S224-C240 WeakPolarHBondContact OG-CB 3.43Å; A236-C240 WeakPolarHBondContact O-CB 3.46Å; A236-C240 PolarHBondContact O-N 3.19Å; M237-C240 WeakPolarHBondContact O-CB 3.47Å; M237-C240 PolarHBondContact O-N 2.91Å; M237-C240 VanDerWaalsContact O-N 3.09Å; G238-C240 VanDerWaalsContact C-N 3.33Å; G238-C240 PolarHBondContact O-N 3.26Å; C240-S243 PolarHBondContact O-N 2.93Å; C240-M244 VanDerWaalsContact O-CB 3.31Å; C240-M244 WeakPolarHBondContact O-CB 3.47Å; C240-M244 PolarHBondContact O-N 3.37Å; C240-F263 HydrophobicContact CB-CD1 4Å; C240-F263 HydrophobicContact CB-CE1 3.49Å; C240-F263 VanDerWaalsContact CB-CE1 3.49Å; C240-F263 HydrophobicContact CB-CZ 3.84Å; C240-I266 HydrophobicContact CB-CD1 4.48Å
241E98.7Very high95.7Very high109 Ų10958.3 Ų58.351%0.50930%0.303SS..Hα-helixtrans-62.9-46175.8-73.8173.7169.300111.9M237 G238 S243 M244 K245 F263M237-E241 HydrophobicContact CG-CG 4.36Å; M237-E241 WeakPolarHBondContact O-CG 3.39Å; M237-E241 PolarHBondContact O-N 3.25Å; G238-E241 PolarHBondContact O-N 2.98Å; E241-S243 PolarHBondContact O-N 2.93Å; E241-M244 PolarHBondContact O-N 2.95Å; E241-K245 WeakPolarHBondContact O-CB 3.3Å; E241-K245 PolarHBondContact O-N 3.2Å; E241-F263 HydrophobicContact CG-CE1 3.84Å; E241-F263 HydrophobicContact CG-CZ 3.88Å
242E96.9Very high95.4Very high70 Ų7051.4 Ų51.433%0.32727%0.272SS..Hα-helixtrans-63.5-42.5176.7-176.860.5-168.900111.4Q220 G238 K245 I246Q220-E242 HydrophobicContact CG-CG 4.33Å; G238-E242 PolarHBondContact O-N 3.27Å; E242-K245 PolarHBondContact O-N 2.95Å; E242-K245 IonicContact OE2-NZ 2.72Å; E242-I246 HydrophobicContact CG-CD1 4.39Å; E242-I246 WeakPolarHBondContact O-CG1 3.35Å; E242-I246 PolarHBondContact O-N 2.72Å
243S97.7Very high95.1Very high0 Ų049.4 Ų49.40%026%0.264CS..Hα-helixtrans-61-47.3174.7-175.10000112.3A217 F221 C239 C240 E241 K245 I246 A247 C259A217-S243 WeakPolarHBondContact O-CB 3.38Å; A217-S243 PolarHBondContact O-OG 2.94Å; F221-S243 WeakPolarHBondContact CB-OG 3.46Å; C239-S243 WeakPolarHBondContact O-CB 3.3Å; C239-S243 PolarHBondContact O-N 3.45Å; C239-S243 VanDerWaalsContact O-N 3.11Å; C240-S243 PolarHBondContact O-N 2.93Å; E241-S243 PolarHBondContact O-N 2.93Å; S243-K245 VanDerWaalsContact C-N 3.34Å; S243-K245 PolarHBondContact O-N 3.04Å; S243-I246 PolarHBondContact O-N 3.15Å; S243-A247 WeakPolarHBondContact O-CB 3.45Å; S243-A247 PolarHBondContact O-N 3.25Å; S243-C259 PolarHBondContact OG-SG 3Å
244M98.1Very high94.9Very high30 Ų3048.7 Ų48.715%0.14826%0.261CS..Hα-helixtrans-61.7-41.3178.7-176.265.9179.500112C240 E241 I246 A247 L248 Q256 C259 L260 F263C240-M244 VanDerWaalsContact O-CB 3.31Å; C240-M244 WeakPolarHBondContact O-CB 3.47Å; C240-M244 PolarHBondContact O-N 3.37Å; E241-M244 PolarHBondContact O-N 2.95Å; M244-I246 PolarHBondContact O-N 3.34Å; M244-A247 PolarHBondContact O-N 3.4Å; M244-L248 HydrophobicContact CE-CD1 4.05Å; M244-L248 HydrophobicContact CE-CD2 4.07Å; M244-L248 HydrophobicContact CE-CG 4.01Å; M244-L248 HydrophobicContact CG-CD1 4.13Å; M244-L248 HydrophobicContact CG-CG 4.48Å; M244-L248 WeakPolarHBondContact O-CB 3.22Å; M244-L248 WeakPolarHBondContact O-CG 3.36Å; M244-L248 PolarHBondContact O-N 3.01Å; M244-Q256 HydrophobicContact CE-CB 4.23Å; M244-Q256 HydrophobicContact CE-CG 4.18Å; M244-Q256 HydrophobicContact SD-CB 4.14Å; M244-Q256 HydrophobicContact SD-CG 4.1Å; M244-C259 HydrophobicContact CB-CB 4.05Å; M244-C259 HydrophobicContact CG-CB 4.47Å; M244-C259 HydrophobicContact SD-CB 3.81Å; M244-L260 HydrophobicContact CE-CG 4.48Å; M244-F263 HydrophobicContact CB-CE2 3.95Å; M244-F263 HydrophobicContact CB-CZ 4.21Å; M244-F263 HydrophobicContact CG-CE2 4.06Å
245K96.6Very high94.8Very high113 Ų11344.4 Ų44.449%0.49123%0.233SC..Hα-helixtrans-58.5-48.4177.5177.4-175.7172.1-168.20111.4E241 E242 S243 L248 Q249E241-K245 WeakPolarHBondContact O-CB 3.3Å; E241-K245 PolarHBondContact O-N 3.2Å; E242-K245 PolarHBondContact O-N 2.95Å; E242-K245 IonicContact OE2-NZ 2.72Å; S243-K245 VanDerWaalsContact C-N 3.34Å; S243-K245 PolarHBondContact O-N 3.04Å; K245-L248 PolarHBondContact O-N 3.03Å; K245-Q249 WeakPolarHBondContact O-CG 3.41Å; K245-Q249 PolarHBondContact O-N 3.2Å; K245-Q249 VanDerWaalsContact O-N 3.1Å
246I93Very high94.8Very high5 Ų542.3 Ų42.33%0.02622%0.221CC..Hα-helixtrans-66.3-41.8177.8-60166.4000110.4L213 R216 A217 E242 S243 M244 L248 Q249 H250L213-I246 HydrophobicContact CB-CG2 3.98Å; L213-I246 WeakPolarHBondContact O-CG2 3.38Å; R216-I246 HydrophobicContact CB-CD1 4.43Å; R216-I246 HydrophobicContact CG-CD1 4.07Å; A217-I246 HydrophobicContact CB-CB 3.76Å; A217-I246 HydrophobicContact CB-CD1 4.01Å; A217-I246 HydrophobicContact CB-CG1 4.5Å; A217-I246 HydrophobicContact CB-CG2 3.74Å; E242-I246 HydrophobicContact CG-CD1 4.39Å; E242-I246 WeakPolarHBondContact O-CG1 3.35Å; E242-I246 PolarHBondContact O-N 2.72Å; S243-I246 PolarHBondContact O-N 3.15Å; M244-I246 PolarHBondContact O-N 3.34Å; I246-L248 VanDerWaalsContact C-N 3.28Å; I246-L248 PolarHBondContact O-N 2.99Å; I246-Q249 PolarHBondContact O-N 3.41Å; I246-H250 PolarHBondContact O-CD2 2.91Å; I246-H250 PolarHBondContact O-N 3.08Å
247A93.5Very high94.8Very high2 Ų242.3 Ų42.32%0.01722%0.221CC..Hα-helixtrans-61.1-36178.100000112.6S243 M244 G251 D252 L255 Q256S243-A247 WeakPolarHBondContact O-CB 3.45Å; S243-A247 PolarHBondContact O-N 3.25Å; M244-A247 PolarHBondContact O-N 3.4Å; A247-G251 CarbonylContact O-C 3.49Å; A247-G251 PolarHBondContact O-N 2.96Å; A247-G251 VanDerWaalsContact O-N 3.08Å; A247-D252 HydrophobicContact CB-CB 4.27Å; A247-D252 PolarHBondContact O-N 2.94Å; A247-L255 HydrophobicContact CB-CB 4.01Å; A247-L255 HydrophobicContact CB-CD2 4Å; A247-L255 HydrophobicContact CB-CG 3.96Å; A247-Q256 HydrophobicContact CB-CG 3.79Å; A247-Q256 PolarHBondContact O-NE2 3.3Å
248L93Very high94.7Very high101 Ų10143.7 Ų43.753%0.52923%0.228SC..Hα-helixtrans-68.8-43.6173.8-75.4168.3000112.2M244 K245 I246 H250 G251 Q256M244-L248 HydrophobicContact CE-CD1 4.05Å; M244-L248 HydrophobicContact CE-CD2 4.07Å; M244-L248 HydrophobicContact CE-CG 4.01Å; M244-L248 HydrophobicContact CG-CD1 4.13Å; M244-L248 HydrophobicContact CG-CG 4.48Å; M244-L248 WeakPolarHBondContact O-CB 3.22Å; M244-L248 WeakPolarHBondContact O-CG 3.36Å; M244-L248 PolarHBondContact O-N 3.01Å; K245-L248 PolarHBondContact O-N 3.03Å; I246-L248 VanDerWaalsContact C-N 3.28Å; I246-L248 PolarHBondContact O-N 2.99Å; L248-H250 PolarHBondContact O-N 3.44Å; L248-G251 PolarHBondContact O-N 3.33Å; L248-Q256 HydrophobicContact CD2-CG 4.4Å
249Q89.1Confident94.7Very high112 Ų11242 Ų4252%0.52321%0.21SC..Hα-helixtrans-59.3-33.6179.5-74.2173.9-11.800113K245 I246K245-Q249 WeakPolarHBondContact O-CG 3.41Å; K245-Q249 PolarHBondContact O-N 3.2Å; K245-Q249 VanDerWaalsContact O-N 3.1Å; I246-Q249 PolarHBondContact O-N 3.41Å
250H83.1Confident94.8Very high95 Ų9542.5 Ų42.544%0.4421%0.212SC..THydrogen-bonded Turntrans-104.20.9-177.9-68.8-75.4000114.4L213 I246 L248 D252L213-H250 WeakPolarHBondContact CD1-NE2 3.48Å; I246-H250 PolarHBondContact O-CD2 2.91Å; I246-H250 PolarHBondContact O-N 3.08Å; L248-H250 PolarHBondContact O-N 3.44Å; H250-D252 VanDerWaalsContact C-N 3.25Å; H250-D252 PolarHBondContact O-N 3.48Å
251G86.5Confident94.8Very high39 Ų3943.2 Ų43.240%0.40222%0.216SC..THydrogen-bonded Turntrans63.428-176.700000114.2A247 L248 R253A247-G251 CarbonylContact O-C 3.49Å; A247-G251 PolarHBondContact O-N 2.96Å; A247-G251 VanDerWaalsContact O-N 3.08Å; L248-G251 PolarHBondContact O-N 3.33Å; G251-R253 VanDerWaalsContact C-N 3.29Å; G251-R253 PolarHBondContact O-N 3.01Å
252D90.5Very high94.8Very high26 Ų2638.1 Ų38.114%0.13919%0.192CC..  trans-73.182.7176.8-170.6-30.9000109.8A247 H250 P254 L255 Q256A247-D252 HydrophobicContact CB-CB 4.27Å; A247-D252 PolarHBondContact O-N 2.94Å; H250-D252 VanDerWaalsContact C-N 3.25Å; H250-D252 PolarHBondContact O-N 3.48Å; D252-P254 VanDerWaalsContact OD1-CD 3.28Å; D252-P254 WeakPolarHBondContact OD1-CD 3.43Å; D252-L255 HydrophobicContact CB-CB 4.15Å; D252-L255 VanDerWaalsContact CG-CB 3.47Å; D252-L255 PolarHBondContact O-N 2.84Å; D252-L255 VanDerWaalsContact OD1-CB 3.3Å; D252-L255 WeakPolarHBondContact OD1-CB 3.31Å; D252-L255 PolarHBondContact OD1-N 3.06Å; D252-Q256 VanDerWaalsContact O-CG 3.24Å; D252-Q256 WeakPolarHBondContact O-CG 3.45Å; D252-Q256 PolarHBondContact O-N 2.87Å
253R92.9Very high94.9Very high69 Ų6935.8 Ų35.826%0.2618%0.181SC..Hα-helixtrans-55.9-45.3-179.6-67.2-84.5-72.5160.7-1.5112.3G251 L255 Q256 A257 I286 E289G251-R253 VanDerWaalsContact C-N 3.29Å; G251-R253 PolarHBondContact O-N 3.01Å; R253-L255 PolarHBondContact O-N 2.89Å; R253-Q256 PolarHBondContact O-N 3.27Å; R253-A257 PolarHBondContact O-N 3.27Å; R253-A257 VanDerWaalsContact O-N 3.11Å; R253-I286 HydrophobicContact CB-CG2 4.33Å; R253-E289 IonicContact CZ-OE1 3.42Å; R253-E289 IonicContact CZ-OE2 3.84Å; R253-E289 IonicContact NE-OE1 3.68Å; R253-E289 IonicContact NH2-OE1 3.91Å; R253-E289 PolarHBondContact NH2-OE1 2.96Å; R253-E289 IonicContact NH2-OE2 3.54Å; R253-E289 PolarHBondContact NH2-OE2 2.95Å
254P94.6Very high94.9Very high14 Ų1435.8 Ų35.89%0.09118%0.181CC..Hα-helixtrans-56.7-46.5175.3-27.135.8000113.9Y70 D252 A257 L258 I290Y70-P254 WeakPolarHBondContact OH-CB 3.48Å; Y70-P254 WeakPolarHBondContact OH-CG 3.5Å; D252-P254 VanDerWaalsContact OD1-CD 3.28Å; D252-P254 WeakPolarHBondContact OD1-CD 3.43Å; P254-A257 PolarHBondContact O-N 2.79Å; P254-L258 WeakPolarHBondContact O-CG 3.31Å; P254-L258 PolarHBondContact O-N 3.26Å; P254-I290 HydrophobicContact CB-CD1 4.17Å; P254-I290 HydrophobicContact CG-CD1 4.25Å
255L96.1Very high95Very high8 Ų835.2 Ų35.24%0.04218%0.178CC..Hα-helixtrans-70.7-36.3-179.1-173.358000112.1A217 F221 A247 D252 R253 A257 L258 C259A217-L255 HydrophobicContact CB-CD2 3.47Å; A217-L255 VanDerWaalsContact CB-CD2 3.47Å; F221-L255 HydrophobicContact CB-CD1 3.92Å; F221-L255 HydrophobicContact CD1-CD1 4.49Å; F221-L255 HydrophobicContact CG-CD1 4.05Å; A247-L255 HydrophobicContact CB-CB 4.01Å; A247-L255 HydrophobicContact CB-CD2 4Å; A247-L255 HydrophobicContact CB-CG 3.96Å; D252-L255 HydrophobicContact CB-CB 4.15Å; D252-L255 VanDerWaalsContact CG-CB 3.47Å; D252-L255 PolarHBondContact O-N 2.84Å; D252-L255 VanDerWaalsContact OD1-CB 3.3Å; D252-L255 WeakPolarHBondContact OD1-CB 3.31Å; D252-L255 PolarHBondContact OD1-N 3.06Å; R253-L255 PolarHBondContact O-N 2.89Å; L255-A257 VanDerWaalsContact C-N 3.3Å; L255-A257 PolarHBondContact O-N 3.09Å; L255-L258 HydrophobicContact CD1-CD1 4.42Å; L255-L258 PolarHBondContact O-N 3.17Å; L255-C259 PolarHBondContact O-N 3.36Å
256Q97.3Very high95.1Very high21 Ų2129.8 Ų29.810%0.09816%0.155CC..Hα-helixtrans-55.9-45.2171.9-70.9167.928.200111.5M244 A247 L248 D252 R253 L258 C259 L260M244-Q256 HydrophobicContact CE-CB 4.23Å; M244-Q256 HydrophobicContact CE-CG 4.18Å; M244-Q256 HydrophobicContact SD-CB 4.14Å; M244-Q256 HydrophobicContact SD-CG 4.1Å; A247-Q256 HydrophobicContact CB-CG 3.79Å; A247-Q256 PolarHBondContact O-NE2 3.3Å; L248-Q256 HydrophobicContact CD2-CG 4.4Å; D252-Q256 VanDerWaalsContact O-CG 3.24Å; D252-Q256 WeakPolarHBondContact O-CG 3.45Å; D252-Q256 PolarHBondContact O-N 2.87Å; R253-Q256 PolarHBondContact O-N 3.27Å; Q256-L258 PolarHBondContact O-N 3.16Å; Q256-C259 PolarHBondContact O-N 3.24Å; Q256-L260 WeakPolarHBondContact O-CG 3.24Å; Q256-L260 PolarHBondContact O-N 2.9Å
257A98.1Very high95.3Very high0 Ų030.2 Ų30.20%016%0.157CC..Hα-helixtrans-63.4-41.2178.200000112.5R253 P254 L255 L260 L261 I286 M287R253-A257 PolarHBondContact O-N 3.27Å; R253-A257 VanDerWaalsContact O-N 3.11Å; P254-A257 PolarHBondContact O-N 2.79Å; L255-A257 VanDerWaalsContact C-N 3.3Å; L255-A257 PolarHBondContact O-N 3.09Å; A257-L260 PolarHBondContact O-N 2.9Å; A257-L261 PolarHBondContact O-N 3.11Å; A257-I286 HydrophobicContact CB-CB 3.81Å; A257-I286 HydrophobicContact CB-CD1 4.48Å; A257-I286 HydrophobicContact CB-CG2 3.73Å; A257-M287 HydrophobicContact CB-CE 4.08Å; A257-M287 HydrophobicContact CB-CG 3.92Å
258L98.4Very high95.6Very high52 Ų5231.8 Ų31.827%0.27216%0.162SC..Hα-helixtrans-63.3-44175.7-71.3176.8000111.7F221 P254 L255 Q256 L261 N262 M287F221-L258 HydrophobicContact CD2-CB 4.18Å; F221-L258 HydrophobicContact CE1-CB 4.2Å; F221-L258 HydrophobicContact CE1-CD1 4.11Å; F221-L258 HydrophobicContact CE2-CB 3.64Å; F221-L258 WeakPolarHBondContact CE2-O 3.22Å; F221-L258 HydrophobicContact CZ-CB 3.65Å; F221-L258 HydrophobicContact CZ-CD1 4.34Å; F221-L258 HydrophobicContact CZ-CD2 4.24Å; F221-L258 HydrophobicContact CZ-CG 4.3Å; P254-L258 WeakPolarHBondContact O-CG 3.31Å; P254-L258 PolarHBondContact O-N 3.26Å; L255-L258 HydrophobicContact CD1-CD1 4.42Å; L255-L258 PolarHBondContact O-N 3.17Å; Q256-L258 PolarHBondContact O-N 3.16Å; L258-L261 PolarHBondContact O-N 2.78Å; L258-N262 PolarHBondContact O-N 3.32Å; L258-M287 HydrophobicContact CD2-CE 4.31Å
259C98.8Very high95.8Very high0 Ų029.3 Ų29.30%015%0.153CC..Hα-helixtrans-62.3-44.1174.9-72.60000111.8S243 M244 L255 Q256 L261 N262 F263S243-C259 PolarHBondContact OG-SG 3Å; M244-C259 HydrophobicContact CB-CB 4.05Å; M244-C259 HydrophobicContact CG-CB 4.47Å; M244-C259 HydrophobicContact SD-CB 3.81Å; L255-C259 PolarHBondContact O-N 3.36Å; Q256-C259 PolarHBondContact O-N 3.24Å; C259-L261 PolarHBondContact O-N 2.84Å; C259-N262 PolarHBondContact O-N 3.43Å; C259-N262 VanDerWaalsContact O-N 3.14Å; C259-F263 HydrophobicContact CB-CD2 4.43Å; C259-F263 HydrophobicContact CB-CE2 4.16Å; C259-F263 WeakPolarHBondContact O-CD2 3.32Å; C259-F263 WeakPolarHBondContact O-CG 3.42Å; C259-F263 PolarHBondContact O-N 2.98Å
260L98.9Very high96.2Very high27 Ų2729.3 Ų29.314%0.14115%0.148CC..Hα-helixtrans-59.1-45.2176.3-74166.1000112.2M244 Q256 A257 N262 F263 A264 A283 I286M244-L260 HydrophobicContact CE-CG 4.48Å; Q256-L260 WeakPolarHBondContact O-CG 3.24Å; Q256-L260 PolarHBondContact O-N 2.9Å; A257-L260 PolarHBondContact O-N 2.9Å; L260-N262 VanDerWaalsContact C-N 3.34Å; L260-N262 PolarHBondContact O-N 3.21Å; L260-F263 PolarHBondContact O-N 3.35Å; L260-A264 WeakPolarHBondContact O-CB 3.42Å; L260-A264 PolarHBondContact O-N 2.71Å; L260-A283 HydrophobicContact CB-CB 3.82Å; L260-I286 HydrophobicContact CD1-CD1 3.84Å
261L98.8Very high96.9Very high14 Ų1431.3 Ų31.37%0.07316%0.157CC..Hα-helixtrans-57.1-47.9173.116860.8000110.9A257 L258 C259 A264 D265 Y280 A283 M287 H298 V299A257-L261 PolarHBondContact O-N 3.11Å; L258-L261 PolarHBondContact O-N 2.78Å; C259-L261 PolarHBondContact O-N 2.84Å; L261-A264 WeakPolarHBondContact O-CB 3.47Å; L261-A264 PolarHBondContact O-N 3.45Å; L261-D265 WeakPolarHBondContact O-CB 3.06Å; L261-D265 PolarHBondContact O-N 3.04Å; L261-Y280 HydrophobicContact CD1-CD1 3.9Å; L261-Y280 HydrophobicContact CD1-CE1 3.57Å; L261-A283 HydrophobicContact CB-CB 4.15Å; L261-M287 HydrophobicContact CB-CE 3.98Å; L261-M287 HydrophobicContact CD2-CE 3.93Å; L261-H298 HydrophobicContact CD2-CB 3.82Å; L261-V299 HydrophobicContact CD1-CG2 3.9Å
262N98.7Very high97.4Very high2 Ų231.3 Ų31.31%0.01115%0.148CC..Hα-helixtrans-71.1-35.1-177.3-167.164.5000112.8F221 S224 R228 L258 C259 L260 A264 D265 I266F221-N262 HydrophobicContact CE2-CB 3.94Å; S224-N262 PolarHBondContact OG-ND2 2.86Å; R228-N262 PolarHBondContact NE-OD1 2.86Å; R228-N262 PolarHBondContact NH2-OD1 2.9Å; R228-N262 VanDerWaalsContact NH2-OD1 3.16Å; L258-N262 PolarHBondContact O-N 3.32Å; C259-N262 PolarHBondContact O-N 3.43Å; C259-N262 VanDerWaalsContact O-N 3.14Å; L260-N262 VanDerWaalsContact C-N 3.34Å; L260-N262 PolarHBondContact O-N 3.21Å; N262-A264 VanDerWaalsContact C-N 3.34Å; N262-D265 WeakPolarHBondContact O-CB 3.29Å; N262-D265 PolarHBondContact O-N 3.45Å; N262-I266 VanDerWaalsContact O-CG1 3.28Å; N262-I266 WeakPolarHBondContact O-CG1 3.5Å; N262-I266 PolarHBondContact O-N 3.12Å
263F98.9Very high97.8Very high21 Ų2130.8 Ų30.89%0.09215%0.146CC..Hα-helixtrans-59.9-44.6169.6-73.8-52.5000111.8M237 C240 E241 M244 C259 L260 D265 I266 H267M237-F263 HydrophobicContact SD-CD1 3.47Å; M237-F263 WeakPolarHBondContact SD-CD1 3.32Å; M237-F263 HydrophobicContact SD-CE1 3.5Å; M237-F263 WeakPolarHBondContact SD-CE1 3.38Å; C240-F263 HydrophobicContact CB-CD1 4Å; C240-F263 HydrophobicContact CB-CE1 3.49Å; C240-F263 VanDerWaalsContact CB-CE1 3.49Å; C240-F263 HydrophobicContact CB-CZ 3.84Å; E241-F263 HydrophobicContact CG-CE1 3.84Å; E241-F263 HydrophobicContact CG-CZ 3.88Å; M244-F263 HydrophobicContact CB-CE2 3.95Å; M244-F263 HydrophobicContact CB-CZ 4.21Å; M244-F263 HydrophobicContact CG-CE2 4.06Å; C259-F263 HydrophobicContact CB-CD2 4.43Å; C259-F263 HydrophobicContact CB-CE2 4.16Å; C259-F263 WeakPolarHBondContact O-CD2 3.32Å; C259-F263 WeakPolarHBondContact O-CG 3.42Å; C259-F263 PolarHBondContact O-N 2.98Å; L260-F263 PolarHBondContact O-N 3.35Å; F263-D265 VanDerWaalsContact C-N 3.27Å; F263-D265 PolarHBondContact O-N 3.25Å; F263-I266 PolarHBondContact O-N 2.81Å; F263-H267 PolarHBondContact O-CD2 3.45Å; F263-H267 PolarHBondContact O-N 3.44Å
264A98.8Very high98Very high0 Ų033.6 Ų33.60%017%0.166CC..Hα-helixtrans-59-43.5176.500000111L260 L261 N262 H267 R268 A276 R279 Y280L260-A264 WeakPolarHBondContact O-CB 3.42Å; L260-A264 PolarHBondContact O-N 2.71Å; L261-A264 WeakPolarHBondContact O-CB 3.47Å; L261-A264 PolarHBondContact O-N 3.45Å; N262-A264 VanDerWaalsContact C-N 3.34Å; A264-H267 PolarHBondContact O-N 3.28Å; A264-R268 WeakPolarHBondContact O-CB 3.48Å; A264-R268 PolarHBondContact O-N 3.39Å; A264-A276 WeakPolarHBondContact CB-O 3.11Å; A264-A276 WeakPolarHBondContact O-CB 3.45Å; A264-R279 HydrophobicContact CB-CB 3.63Å; A264-Y280 HydrophobicContact CB-CD1 3.63Å; A264-Y280 HydrophobicContact CB-CD2 3.63Å; A264-Y280 HydrophobicContact CB-CE1 3.65Å; A264-Y280 HydrophobicContact CB-CE2 3.63Å; A264-Y280 HydrophobicContact CB-CG 3.61Å
265D98.8Very high98.2Very high18 Ų1837.8 Ų37.810%0.09618%0.183CC..Hα-helixtrans-63.6-39.1175.7-106.3-26.4000113.2R228 L261 N262 F263 R268 C269 Y280R228-D265 VanDerWaalsContact CZ-CB 3.46Å; R228-D265 VanDerWaalsContact CZ-CG 3.48Å; R228-D265 IonicContact CZ-OD2 2.76Å; R228-D265 VanDerWaalsContact NH1-CB 3.28Å; R228-D265 IonicContact NH1-OD1 3.92Å; R228-D265 PolarHBondContact NH1-OD1 3.14Å; R228-D265 IonicContact NH1-OD2 2.93Å; R228-D265 PolarHBondContact NH1-OD2 3.24Å; R228-D265 IonicContact NH2-OD2 3.84Å; R228-D265 PolarHBondContact NH2-OD2 3.3Å; L261-D265 WeakPolarHBondContact O-CB 3.06Å; L261-D265 PolarHBondContact O-N 3.04Å; N262-D265 WeakPolarHBondContact O-CB 3.29Å; N262-D265 PolarHBondContact O-N 3.45Å; F263-D265 VanDerWaalsContact C-N 3.27Å; F263-D265 PolarHBondContact O-N 3.25Å; D265-R268 IonicContact OD1-CZ 3.22Å; D265-R268 IonicContact OD1-NE 2.73Å; D265-R268 PolarHBondContact OD1-NE 3.03Å; D265-R268 IonicContact OD1-NH2 3.4Å; D265-R268 PolarHBondContact OD1-NH2 3.25Å; D265-C269 PolarHBondContact O-N 3.01Å; D265-C269 PolarHBondContact O-SG 3.25Å; D265-C269 VanDerWaalsContact O-SG 3.34Å; D265-Y280 PolarHBondContact OD1-OH 2.88Å
266I98.8Very high98.3Very high0 Ų037.4 Ų37.40%018%0.181CC..Hα-helixtrans-64.6-47.3174.2-67.4165000110.3R228 A236 M237 C240 N262 F263 R268 C269 R270R228-I266 HydrophobicContact CB-CG1 4.46Å; R228-I266 HydrophobicContact CG-CG1 4.29Å; A236-I266 HydrophobicContact CB-CD1 3.91Å; A236-I266 HydrophobicContact CB-CG1 4.27Å; M237-I266 HydrophobicContact CE-CB 4.38Å; M237-I266 HydrophobicContact CE-CG2 3.63Å; M237-I266 HydrophobicContact SD-CD1 4.47Å; C240-I266 HydrophobicContact CB-CD1 4.48Å; N262-I266 VanDerWaalsContact O-CG1 3.28Å; N262-I266 WeakPolarHBondContact O-CG1 3.5Å; N262-I266 PolarHBondContact O-N 3.12Å; F263-I266 PolarHBondContact O-N 2.81Å; I266-R268 VanDerWaalsContact C-N 3.33Å; I266-R268 PolarHBondContact O-N 2.99Å; I266-C269 WeakPolarHBondContact O-CB 3.39Å; I266-C269 PolarHBondContact O-N 3.2Å; I266-R270 WeakPolarHBondContact O-CG 3.36Å; I266-R270 PolarHBondContact O-N 3.44Å; I266-R270 VanDerWaalsContact O-N 3.12Å
267H98.7Very high98.4Very high14 Ų1438.4 Ų38.47%0.06519%0.185CC..Hα-helixtrans-62.8-40.1177.2-76.1-62.9000111.8F263 A264 C269 R270 H271 D272 K275 A276 R279F263-H267 PolarHBondContact O-CD2 3.45Å; F263-H267 PolarHBondContact O-N 3.44Å; A264-H267 PolarHBondContact O-N 3.28Å; H267-C269 PolarHBondContact O-N 3.41Å; H267-R270 CarbonylContact O-C 3.58Å; H267-R270 WeakPolarHBondContact O-CA 3.06Å; H267-R270 WeakPolarHBondContact O-CB 3.44Å; H267-R270 PolarHBondContact O-N 3.37Å; H267-H271 PolarHBondContact O-N 3.19Å; H267-D272 HydrophobicContact CB-CB 4.47Å; H267-D272 PolarHBondContact O-N 2.84Å; H267-K275 HydrophobicContact CB-CB 4.12Å; H267-A276 HydrophobicContact CB-CB 4.11Å; H267-R279 PolarHBondContact CD2-NE 3.17Å
268R98.5Very high98.4Very high35 Ų3541.4 Ų41.413%0.13220%0.204CC..Hα-helixtrans-59.9-42.5172.6-175.1-177.160.863.58.5112.1A264 D265 I266 R270 H271 A276 Y280 G302 L309A264-R268 WeakPolarHBondContact O-CB 3.48Å; A264-R268 PolarHBondContact O-N 3.39Å; D265-R268 IonicContact OD1-CZ 3.22Å; D265-R268 IonicContact OD1-NE 2.73Å; D265-R268 PolarHBondContact OD1-NE 3.03Å; D265-R268 IonicContact OD1-NH2 3.4Å; D265-R268 PolarHBondContact OD1-NH2 3.25Å; I266-R268 VanDerWaalsContact C-N 3.33Å; I266-R268 PolarHBondContact O-N 2.99Å; R268-R270 PolarHBondContact O-N 3.44Å; R268-H271 WeakPolarHBondContact O-CA 3.41Å; R268-H271 PolarHBondContact O-N 3.2Å; R268-A276 HydrophobicContact CB-CB 4.32Å; R268-Y280 PolarHBondContact NE-OH 2.97Å; R268-G302 WeakPolarHBondContact CD-O 3.22Å; R268-L309 HydrophobicContact CG-CD1 3.94Å
269C98Very high98.4Very high49 Ų4942.6 Ų42.633%0.33121%0.205SC..Hα-helixtrans-63.3-24.4173.8-75.10000113L233 D265 I266 H267 H271L233-C269 HydrophobicContact CD1-CB 4.08Å; L233-C269 HydrophobicContact CD2-CB 3.98Å; D265-C269 PolarHBondContact O-N 3.01Å; D265-C269 PolarHBondContact O-SG 3.25Å; D265-C269 VanDerWaalsContact O-SG 3.34Å; I266-C269 WeakPolarHBondContact O-CB 3.39Å; I266-C269 PolarHBondContact O-N 3.2Å; H267-C269 PolarHBondContact O-N 3.41Å; C269-H271 VanDerWaalsContact C-N 3.29Å
270R97.8Very high98.4Very high111 Ų11142.7 Ų42.742%0.41921%0.206SC..THydrogen-bonded Turntrans-86.75.5171.3-62179.5-176.11781.4113.4L233 I266 H267 R268 D272L233-R270 HydrophobicContact CD1-CG 3.64Å; L233-R270 PolarHBondContact O-NH2 2.99Å; I266-R270 WeakPolarHBondContact O-CG 3.36Å; I266-R270 PolarHBondContact O-N 3.44Å; I266-R270 VanDerWaalsContact O-N 3.12Å; H267-R270 CarbonylContact O-C 3.58Å; H267-R270 WeakPolarHBondContact O-CA 3.06Å; H267-R270 WeakPolarHBondContact O-CB 3.44Å; H267-R270 PolarHBondContact O-N 3.37Å; R268-R270 PolarHBondContact O-N 3.44Å; R270-D272 PolarHBondContact O-N 2.95Å
271H97.4Very high98.4Very high137 Ų13748.2 Ų48.263%0.63423%0.231SC*.THydrogen-bonded Turntrans59.216.7-171.5-60.5-94.7000114.7H267 R268 C269 V273H267-H271 PolarHBondContact O-N 3.19Å; R268-H271 WeakPolarHBondContact O-CA 3.41Å; R268-H271 PolarHBondContact O-N 3.2Å; C269-H271 VanDerWaalsContact C-N 3.29Å; H271-V273 PolarHBondContact O-N 3.45Å; H271-V273 VanDerWaalsContact O-N 3.16Å
272D97.8Very high98.4Very high40 Ų4050.3 Ų50.321%0.21425%0.247CC..  trans-89.672.6175.5-169.4-15.4000110.1H267 R270 N274 K275 A276H267-D272 HydrophobicContact CB-CB 4.47Å; H267-D272 PolarHBondContact O-N 2.84Å; R270-D272 PolarHBondContact O-N 2.95Å; D272-N274 PolarHBondContact O-N 2.92Å; D272-K275 PolarHBondContact O-N 3.22Å; D272-K275 PolarHBondContact OD1-N 2.73Å; D272-K275 WeakPolarHBondContact OD2-CD 3.46Å; D272-K275 WeakPolarHBondContact OD2-CE 3.44Å; D272-K275 WeakPolarHBondContact OD2-CG 3.29Å; D272-K275 IonicContact OD2-NZ 2.8Å; D272-K275 PolarHBondContact OD2-NZ 3.47Å; D272-A276 PolarHBondContact O-N 2.85Å; D272-A276 VanDerWaalsContact O-N 3.13Å
273V97.9Very high98.4Very high15 Ų1550.2 Ų50.29%0.09125%0.246CC..Hα-helixtrans-63.6-29.2-179.1-65.40000112.6H271 K275 A276 F277 C306 L309 Q310H271-V273 PolarHBondContact O-N 3.45Å; H271-V273 VanDerWaalsContact O-N 3.16Å; V273-K275 VanDerWaalsContact C-N 3.34Å; V273-K275 PolarHBondContact O-N 3.37Å; V273-A276 PolarHBondContact O-N 3.13Å; V273-A276 VanDerWaalsContact O-N 3.11Å; V273-F277 HydrophobicContact CB-CD2 4.38Å; V273-F277 HydrophobicContact CB-CE2 4.06Å; V273-F277 WeakPolarHBondContact O-CD2 3.23Å; V273-F277 PolarHBondContact O-N 3.19Å; V273-C306 HydrophobicContact CB-CB 4.48Å; V273-C306 HydrophobicContact CG1-CB 4.05Å; V273-L309 HydrophobicContact CG1-CB 4.28Å; V273-L309 HydrophobicContact CG1-CD1 4.02Å; V273-Q310 HydrophobicContact CG2-CG 4.08Å
274N97.7Very high98.4Very high127 Ų12751 Ų5168%0.67925%0.251SS*.Hα-helixtrans-63.7-38.7177.8-67.5-23.7000111.7D272 P278D272-N274 PolarHBondContact O-N 2.92Å; N274-P278 WeakPolarHBondContact O-CD 3.41Å
275K98.1Very high98.4Very high102 Ų10253.1 Ų53.144%0.44327%0.272SS..Hα-helixtrans-80.2-23.6172.3-70.5-167.4-1681130113.5H267 D272 V273 R279H267-K275 HydrophobicContact CB-CB 4.12Å; D272-K275 PolarHBondContact O-N 3.22Å; D272-K275 PolarHBondContact OD1-N 2.73Å; D272-K275 WeakPolarHBondContact OD2-CD 3.46Å; D272-K275 WeakPolarHBondContact OD2-CE 3.44Å; D272-K275 WeakPolarHBondContact OD2-CG 3.29Å; D272-K275 IonicContact OD2-NZ 2.8Å; D272-K275 PolarHBondContact OD2-NZ 3.47Å; V273-K275 VanDerWaalsContact C-N 3.34Å; V273-K275 PolarHBondContact O-N 3.37Å; K275-R279 WeakPolarHBondContact O-CD 3.48Å; K275-R279 PolarHBondContact O-NH1 2.97Å
276A98.6Very high98.4Very high0 Ų053 Ų530%027%0.272CS..Hα-helixtrans-74-48.4-178.100000112.8A264 H267 R268 D272 V273 R279 Y280A264-A276 WeakPolarHBondContact CB-O 3.11Å; A264-A276 WeakPolarHBondContact O-CB 3.45Å; H267-A276 HydrophobicContact CB-CB 4.11Å; R268-A276 HydrophobicContact CB-CB 4.32Å; D272-A276 PolarHBondContact O-N 2.85Å; D272-A276 VanDerWaalsContact O-N 3.13Å; V273-A276 PolarHBondContact O-N 3.13Å; V273-A276 VanDerWaalsContact O-N 3.11Å; A276-R279 WeakPolarHBondContact O-CB 3.41Å; A276-R279 PolarHBondContact O-N 3Å; A276-R279 VanDerWaalsContact O-N 3.15Å; A276-Y280 HydrophobicContact CB-CD2 4.33Å; A276-Y280 HydrophobicContact CB-CE2 4.07Å; A276-Y280 WeakPolarHBondContact O-CD2 3.39Å; A276-Y280 PolarHBondContact O-N 2.72Å
277F98.6Very high98.3Very high42 Ų4253 Ų5318%0.18427%0.272CS..Hα-helixtrans-56.8-49.8-174.2-74.6-63.4000114.3V273 R279 Y280 E281 V303 C306 W307V273-F277 HydrophobicContact CB-CD2 4.38Å; V273-F277 HydrophobicContact CB-CE2 4.06Å; V273-F277 WeakPolarHBondContact O-CD2 3.23Å; V273-F277 PolarHBondContact O-N 3.19Å; F277-R279 PolarHBondContact O-N 3.32Å; F277-R279 VanDerWaalsContact O-N 3.15Å; F277-Y280 WeakPolarHBondContact O-CB 3.35Å; F277-Y280 PolarHBondContact O-N 3.46Å; F277-Y280 VanDerWaalsContact O-N 3.09Å; F277-E281 PolarHBondContact O-N 3.39Å; F277-V303 HydrophobicContact CD1-CG1 4.45Å; F277-V303 HydrophobicContact CE1-CG1 4.05Å; F277-C306 HydrophobicContact CD1-CB 4.35Å; F277-C306 HydrophobicContact CE1-CB 3.56Å; F277-C306 HydrophobicContact CE2-CB 4.03Å; F277-C306 HydrophobicContact CZ-CB 3.38Å; F277-W307 HydrophobicContact CE1-CD2 4.05Å; F277-W307 AromaticContact CE1-CE2 3.63Å; F277-W307 HydrophobicContact CE1-CG 4.49Å; F277-W307 HydrophobicContact CE1-CH2 4.31Å; F277-W307 AromaticContact CE1-CZ2 3.77Å; F277-W307 HydrophobicContact CE1-CZ2 3.77Å; F277-W307 AromaticContact CE1-NE1 3.89Å; F277-W307 HydrophobicContact CE2-CE3 4.5Å; F277-W307 HydrophobicContact CE2-CH2 4.22Å; F277-W307 HydrophobicContact CE2-CZ2 4.49Å; F277-W307 HydrophobicContact CE2-CZ3 4.24Å; F277-W307 AromaticContact CZ-CD2 3.66Å; F277-W307 HydrophobicContact CZ-CD2 3.66Å; F277-W307 AromaticContact CZ-CE2 3.64Å; F277-W307 AromaticContact CZ-CE3 3.78Å; F277-W307 HydrophobicContact CZ-CE3 3.78Å; F277-W307 HydrophobicContact CZ-CG 4.3Å; F277-W307 AromaticContact CZ-CH2 3.83Å; F277-W307 HydrophobicContact CZ-CH2 3.83Å; F277-W307 AromaticContact CZ-CZ2 3.73Å; F277-W307 HydrophobicContact CZ-CZ2 3.73Å; F277-W307 AromaticContact CZ-CZ3 3.87Å; F277-W307 HydrophobicContact CZ-CZ3 3.87Å
278P98.7Very high98.2Very high64 Ų6456.1 Ų56.142%0.41629%0.292SS..Hα-helixtrans-62-27.9-179.6-23.534.6000113.3N274 S282N274-P278 WeakPolarHBondContact O-CD 3.41Å; P278-S282 WeakPolarHBondContact O-CB 3.46Å; P278-S282 PolarHBondContact O-N 3.06Å; P278-S282 PolarHBondContact O-OG 3.43Å
279R98.8Very high98.1Very high77 Ų7760.7 Ų60.729%0.29132%0.315SS..Hα-helixtrans-76.6-39.5176.6-70.7173.3169.472.25.3111.9A264 H267 K275 A276 F277 E281 S282 A283A264-R279 HydrophobicContact CB-CB 3.63Å; H267-R279 PolarHBondContact CD2-NE 3.17Å; K275-R279 WeakPolarHBondContact O-CD 3.48Å; K275-R279 PolarHBondContact O-NH1 2.97Å; A276-R279 WeakPolarHBondContact O-CB 3.41Å; A276-R279 PolarHBondContact O-N 3Å; A276-R279 VanDerWaalsContact O-N 3.15Å; F277-R279 PolarHBondContact O-N 3.32Å; F277-R279 VanDerWaalsContact O-N 3.15Å; R279-E281 VanDerWaalsContact C-N 3.35Å; R279-S282 PolarHBondContact O-N 3.21Å; R279-A283 WeakPolarHBondContact O-CB 3.2Å; R279-A283 PolarHBondContact O-N 3.48Å
280Y98.8Very high97.9Very high1 Ų158.6 Ų58.60%0.00430%0.3CS..Hα-helixtrans-61.1-44.6170-77.9-58.8000111.2L261 A264 D265 R268 A276 F277 A283 L284 V299 G302 V303L261-Y280 HydrophobicContact CD1-CD1 3.9Å; L261-Y280 HydrophobicContact CD1-CE1 3.57Å; A264-Y280 HydrophobicContact CB-CD1 3.63Å; A264-Y280 HydrophobicContact CB-CD2 3.63Å; A264-Y280 HydrophobicContact CB-CE1 3.65Å; A264-Y280 HydrophobicContact CB-CE2 3.63Å; A264-Y280 HydrophobicContact CB-CG 3.61Å; D265-Y280 PolarHBondContact OD1-OH 2.88Å; R268-Y280 PolarHBondContact NE-OH 2.97Å; A276-Y280 HydrophobicContact CB-CD2 4.33Å; A276-Y280 HydrophobicContact CB-CE2 4.07Å; A276-Y280 WeakPolarHBondContact O-CD2 3.39Å; A276-Y280 PolarHBondContact O-N 2.72Å; F277-Y280 WeakPolarHBondContact O-CB 3.35Å; F277-Y280 PolarHBondContact O-N 3.46Å; F277-Y280 VanDerWaalsContact O-N 3.09Å; Y280-A283 PolarHBondContact O-N 3.07Å; Y280-L284 WeakPolarHBondContact O-CB 3.42Å; Y280-L284 PolarHBondContact O-N 3.31Å; Y280-V299 HydrophobicContact CD1-CB 4.39Å; Y280-V299 HydrophobicContact CD1-CG1 3.9Å; Y280-V299 HydrophobicContact CD1-CG2 4.47Å; Y280-V299 HydrophobicContact CG-CG1 4.31Å; Y280-G302 WeakPolarHBondContact OH-CA 3.27Å; Y280-V303 HydrophobicContact CD1-CG2 4.26Å; Y280-V303 HydrophobicContact CD2-CG2 3.9Å; Y280-V303 HydrophobicContact CG-CG2 3.68Å
281E98.8Very high97.8Very high143 Ų14353.9 Ų53.967%0.66829%0.286SS*.Hα-helixtrans-59.8-47.8177.1-176.9179.4-162.600111.6F277 R279 A283 L284 G285F277-E281 PolarHBondContact O-N 3.39Å; R279-E281 VanDerWaalsContact C-N 3.35Å; E281-A283 VanDerWaalsContact C-N 3.35Å; E281-A283 PolarHBondContact O-N 3.39Å; E281-L284 PolarHBondContact O-N 3.29Å; E281-G285 PolarHBondContact O-N 3.36Å
282S98.6Very high97.7Very high59 Ų5948.6 Ų48.641%0.41326%0.263SS..Hα-helixtrans-61.2-42.9176.2-59.80000111.9P278 R279 G285 I286P278-S282 WeakPolarHBondContact O-CB 3.46Å; P278-S282 PolarHBondContact O-N 3.06Å; P278-S282 PolarHBondContact O-OG 3.43Å; R279-S282 PolarHBondContact O-N 3.21Å; S282-G285 PolarHBondContact O-N 2.95Å; S282-I286 WeakPolarHBondContact O-CG1 3.38Å; S282-I286 PolarHBondContact O-N 3.35Å
283A98.8Very high97.7Very high0 Ų050.2 Ų50.20%027%0.266CS..Hα-helixtrans-62.6-44.3175.700000111.5L260 L261 R279 Y280 E281 G285 I286 M287 V299L260-A283 HydrophobicContact CB-CB 3.82Å; L261-A283 HydrophobicContact CB-CB 4.15Å; R279-A283 WeakPolarHBondContact O-CB 3.2Å; R279-A283 PolarHBondContact O-N 3.48Å; Y280-A283 PolarHBondContact O-N 3.07Å; E281-A283 VanDerWaalsContact C-N 3.35Å; E281-A283 PolarHBondContact O-N 3.39Å; A283-G285 PolarHBondContact O-N 3.29Å; A283-I286 PolarHBondContact O-N 2.96Å; A283-M287 HydrophobicContact CB-CE 4.41Å; A283-M287 WeakPolarHBondContact O-CB 3.4Å; A283-M287 WeakPolarHBondContact O-CG 3.19Å; A283-M287 PolarHBondContact O-N 3.36Å; A283-V299 HydrophobicContact CB-CG2 3.97Å
284L98.8Very high97.6Very high38 Ų3851.3 Ų51.320%0.19927%0.271CS..Hα-helixtrans-60.8-45.6179.1-172.661.4000111.3Y280 E281 I286 M287 T288 Q296 V299 Y300Y280-L284 WeakPolarHBondContact O-CB 3.42Å; Y280-L284 PolarHBondContact O-N 3.31Å; E281-L284 PolarHBondContact O-N 3.29Å; L284-I286 PolarHBondContact O-N 2.92Å; L284-M287 PolarHBondContact O-N 3.49Å; L284-T288 WeakPolarHBondContact O-CB 3.38Å; L284-T288 PolarHBondContact O-N 3.45Å; L284-T288 PolarHBondContact O-OG1 3.35Å; L284-T288 VanDerWaalsContact O-OG1 3.05Å; L284-Q296 HydrophobicContact CD1-CB 3.99Å; L284-Q296 HydrophobicContact CD1-CG 3.95Å; L284-V299 HydrophobicContact CB-CG1 3.99Å; L284-V299 HydrophobicContact CD1-CB 4.45Å; L284-V299 HydrophobicContact CD1-CG1 4.31Å; L284-Y300 HydrophobicContact CD1-CE2 3.96Å; L284-Y300 HydrophobicContact CD2-CE1 4.17Å
285G98.5Very high97.6Very high43 Ų4345.4 Ų45.444%0.44324%0.24SC..Hα-helixtrans-55.9-49.1178.200000112.2E281 S282 A283 T288 E289E281-G285 PolarHBondContact O-N 3.36Å; S282-G285 PolarHBondContact O-N 2.95Å; A283-G285 PolarHBondContact O-N 3.29Å; G285-T288 PolarHBondContact O-N 3.18Å; G285-E289 PolarHBondContact O-N 3.03Å; G285-E289 VanDerWaalsContact O-N 3.07Å
286I98.1Very high97.7Very high16 Ų1641.8 Ų41.88%0.08223%0.225CC..Hα-helixtrans-67.3-42.9178-54.7178.4000111.1R253 A257 L260 S282 A283 L284 T288 E289 I290R253-I286 HydrophobicContact CB-CG2 4.33Å; A257-I286 HydrophobicContact CB-CB 3.81Å; A257-I286 HydrophobicContact CB-CD1 4.48Å; A257-I286 HydrophobicContact CB-CG2 3.73Å; L260-I286 HydrophobicContact CD1-CD1 3.84Å; S282-I286 WeakPolarHBondContact O-CG1 3.38Å; S282-I286 PolarHBondContact O-N 3.35Å; A283-I286 PolarHBondContact O-N 2.96Å; L284-I286 PolarHBondContact O-N 2.92Å; I286-T288 VanDerWaalsContact C-N 3.29Å; I286-T288 PolarHBondContact O-N 3.28Å; I286-E289 PolarHBondContact O-N 2.93Å; I286-I290 HydrophobicContact CG2-CG2 4.32Å; I286-I290 WeakPolarHBondContact O-CG1 3.5Å; I286-I290 PolarHBondContact O-N 3.33Å
287M97.8Very high97.7Very high0 Ų041.8 Ų41.80%023%0.225CC..Hα-helixtrans-64.6-32.8-179.9-71.1173.1179.400112.9A257 L258 L261 A283 L284 G291 N292 G295 Q296 V299A257-M287 HydrophobicContact CB-CE 4.08Å; A257-M287 HydrophobicContact CB-CG 3.92Å; L258-M287 HydrophobicContact CD2-CE 4.31Å; L261-M287 HydrophobicContact CB-CE 3.98Å; L261-M287 HydrophobicContact CD2-CE 3.93Å; A283-M287 HydrophobicContact CB-CE 4.41Å; A283-M287 WeakPolarHBondContact O-CB 3.4Å; A283-M287 WeakPolarHBondContact O-CG 3.19Å; A283-M287 PolarHBondContact O-N 3.36Å; L284-M287 PolarHBondContact O-N 3.49Å; M287-G291 PolarHBondContact O-N 3.09Å; M287-G291 VanDerWaalsContact O-N 3.1Å; M287-N292 HydrophobicContact CB-CB 4.46Å; M287-N292 PolarHBondContact O-N 3.08Å; M287-G295 WeakPolarHBondContact SD-CA 3.38Å; M287-Q296 HydrophobicContact CB-CG 3.74Å; M287-Q296 PolarHBondContact O-NE2 2.98Å; M287-Q296 VanDerWaalsContact O-NE2 3.1Å; M287-V299 HydrophobicContact CE-CG2 4.32Å; M287-V299 HydrophobicContact SD-CG2 3.63Å
288T97.1Very high97.6Very high80 Ų8042.5 Ų42.549%0.49123%0.229SC..Hα-helixtrans-68.8-45.8172.2-64.10000111.1L284 G285 I286 I290 G291L284-T288 WeakPolarHBondContact O-CB 3.38Å; L284-T288 PolarHBondContact O-N 3.45Å; L284-T288 PolarHBondContact O-OG1 3.35Å; L284-T288 VanDerWaalsContact O-OG1 3.05Å; G285-T288 PolarHBondContact O-N 3.18Å; I286-T288 VanDerWaalsContact C-N 3.29Å; I286-T288 PolarHBondContact O-N 3.28Å; T288-I290 PolarHBondContact O-N 3.41Å; T288-G291 PolarHBondContact O-N 2.87Å
289E95.7Very high97.7Very high131 Ų13139.5 Ų39.561%0.61221%0.209SC*.Hα-helixtrans-58.3-47.7177.6-176.5-175.7119.300112.3R253 G285 I286 G291R253-E289 IonicContact CZ-OE1 3.42Å; R253-E289 IonicContact CZ-OE2 3.84Å; R253-E289 IonicContact NE-OE1 3.68Å; R253-E289 IonicContact NH2-OE1 3.91Å; R253-E289 PolarHBondContact NH2-OE1 2.96Å; R253-E289 IonicContact NH2-OE2 3.54Å; R253-E289 PolarHBondContact NH2-OE2 2.95Å; G285-E289 PolarHBondContact O-N 3.03Å; G285-E289 VanDerWaalsContact O-N 3.07Å; I286-E289 PolarHBondContact O-N 2.93Å; E289-G291 VanDerWaalsContact C-N 3.31Å; E289-G291 PolarHBondContact O-N 2.95Å
290I94.8Very high97.7Very high4 Ų438.5 Ų38.52%0.02121%0.205CC..Hα-helixtrans-79.5-12.4-178.771.9-177.1000113G68 Y70 P254 I286 T288 N292G68-I290 WeakPolarHBondContact O-CA 3.48Å; G68-I290 WeakPolarHBondContact O-CB 3.31Å; G68-I290 WeakPolarHBondContact O-CG2 3.38Å; Y70-I290 HydrophobicContact CD2-CB 4.3Å; Y70-I290 WeakPolarHBondContact CD2-O 3.32Å; Y70-I290 HydrophobicContact CE2-CB 4.16Å; Y70-I290 HydrophobicContact CE2-CD1 4.09Å; Y70-I290 HydrophobicContact CE2-CG1 4.11Å; P254-I290 HydrophobicContact CB-CD1 4.17Å; P254-I290 HydrophobicContact CG-CD1 4.25Å; I286-I290 HydrophobicContact CG2-CG2 4.32Å; I286-I290 WeakPolarHBondContact O-CG1 3.5Å; I286-I290 PolarHBondContact O-N 3.33Å; T288-I290 PolarHBondContact O-N 3.41Å; I290-N292 HydrophobicContact CD1-CB 3.83Å; I290-N292 HydrophobicContact CG1-CB 3.76Å
291G94Very high97.7Very high12 Ų1238.7 Ų38.712%0.12421%0.207CC..THydrogen-bonded Turntrans77.323.8-177.700000115.1M287 T288 E289 R293M287-G291 PolarHBondContact O-N 3.09Å; M287-G291 VanDerWaalsContact O-N 3.1Å; T288-G291 PolarHBondContact O-N 2.87Å; E289-G291 VanDerWaalsContact C-N 3.31Å; E289-G291 PolarHBondContact O-N 2.95Å; G291-R293 PolarHBondContact O-N 3.11Å; G291-R293 VanDerWaalsContact O-N 3.08Å
292N95.4Very high97.6Very high26 Ų2632 Ų3214%0.13918%0.176CC..  trans-8183.3177-179.2-1000111M287 I290 L294 G295 Q296M287-N292 HydrophobicContact CB-CB 4.46Å; M287-N292 PolarHBondContact O-N 3.08Å; I290-N292 HydrophobicContact CD1-CB 3.83Å; I290-N292 HydrophobicContact CG1-CB 3.76Å; N292-L294 VanDerWaalsContact C-N 3.32Å; N292-L294 PolarHBondContact O-N 3.04Å; N292-L294 PolarHBondContact OD1-N 2.94Å; N292-G295 PolarHBondContact O-N 3.47Å; N292-G295 PolarHBondContact OD1-N 3.34Å; N292-Q296 WeakPolarHBondContact O-CG 3.43Å; N292-Q296 PolarHBondContact O-N 3.36Å; N292-Q296 VanDerWaalsContact O-N 3.1Å
293R97.5Very high97.7Very high75 Ų7530.2 Ų30.228%0.28316%0.162SC..Hα-helixtrans-60.8-37.1-177.9-67-175.3-72.1158.40.3113.2L107 C108 G291 Q296 A297 L326 G329 M330L107-R293 PolarHBondContact O-NE 3.38Å; L107-R293 PolarHBondContact O-NH2 3.5Å; C108-R293 HydrophobicContact CB-CB 4.33Å; C108-R293 PolarHBondContact O-NH2 2.79Å; C108-R293 VanDerWaalsContact O-NH2 3.12Å; G291-R293 PolarHBondContact O-N 3.11Å; G291-R293 VanDerWaalsContact O-N 3.08Å; R293-Q296 PolarHBondContact O-N 3.25Å; R293-A297 PolarHBondContact O-N 2.89Å; R293-L326 HydrophobicContact CB-CD2 4.11Å; R293-L326 HydrophobicContact CG-CD2 4.24Å; R293-G329 PolarHBondContact NH1-O 2.77Å; R293-M330 HydrophobicContact CB-CE 4.43Å; R293-M330 HydrophobicContact CB-CG 4.2Å; R293-M330 HydrophobicContact CB-SD 3.61Å
294L97.4Very high97.7Very high38 Ų3830.2 Ų30.220%0.19916%0.162CC..Hα-helixtrans-65.8-40.2177.5-178.460.9000111.9C108 F110 N292 A297 H298 M330 N332C108-L294 PolarHBondContact SG-N 3.24Å; F110-L294 HydrophobicContact CZ-CD2 4.19Å; N292-L294 VanDerWaalsContact C-N 3.32Å; N292-L294 PolarHBondContact O-N 3.04Å; N292-L294 PolarHBondContact OD1-N 2.94Å; L294-A297 PolarHBondContact O-N 3.37Å; L294-H298 PolarHBondContact O-N 2.88Å; L294-H298 VanDerWaalsContact O-N 3.13Å; L294-H298 PolarHBondContact O-ND1 3.48Å; L294-M330 HydrophobicContact CB-CE 4.35Å; L294-M330 HydrophobicContact CB-SD 3.88Å; L294-M330 HydrophobicContact CD1-CE 4.23Å; L294-M330 PolarHBondContact N-SD 3.22Å; L294-M330 VanDerWaalsContact N-SD 3.36Å; L294-N332 WeakPolarHBondContact CD1-ND2 3.49Å
295G97.6Very high97.6Very high3 Ų331.4 Ų31.43%0.03117%0.166CC..Hα-helixtrans-60.2-47.4172.300000112M287 N292 A297 H298 V299M287-G295 WeakPolarHBondContact SD-CA 3.38Å; N292-G295 PolarHBondContact O-N 3.47Å; N292-G295 PolarHBondContact OD1-N 3.34Å; G295-A297 VanDerWaalsContact C-N 3.31Å; G295-A297 PolarHBondContact O-N 2.99Å; G295-H298 WeakPolarHBondContact O-CB 3.4Å; G295-H298 PolarHBondContact O-N 3.36Å; G295-H298 VanDerWaalsContact O-N 3.14Å; G295-V299 PolarHBondContact O-N 3.48Å
296Q98.6Very high97.7Very high26 Ų2629.4 Ų29.412%0.12115%0.145CC..Hα-helixtrans-57.5-44.3178-63.2169.836.700111.3L284 M287 N292 R293 H298 V299 Y300 L326L284-Q296 HydrophobicContact CD1-CB 3.99Å; L284-Q296 HydrophobicContact CD1-CG 3.95Å; M287-Q296 HydrophobicContact CB-CG 3.74Å; M287-Q296 PolarHBondContact O-NE2 2.98Å; M287-Q296 VanDerWaalsContact O-NE2 3.1Å; N292-Q296 WeakPolarHBondContact O-CG 3.43Å; N292-Q296 PolarHBondContact O-N 3.36Å; N292-Q296 VanDerWaalsContact O-N 3.1Å; R293-Q296 PolarHBondContact O-N 3.25Å; Q296-H298 VanDerWaalsContact C-N 3.34Å; Q296-H298 PolarHBondContact O-N 2.93Å; Q296-V299 WeakPolarHBondContact O-CB 3.38Å; Q296-V299 PolarHBondContact O-N 2.9Å; Q296-V299 VanDerWaalsContact O-N 3.14Å; Q296-Y300 WeakPolarHBondContact O-CD2 3.44Å; Q296-Y300 PolarHBondContact O-N 3.04Å; Q296-L326 HydrophobicContact CB-CD1 3.62Å
297A98.6Very high97.7Very high0 Ų031.1 Ų31.10%015%0.151CC..Hα-helixtrans-61.4-41.5177.500000112R293 L294 G295 V299 Y300 L301 L326 M330R293-A297 PolarHBondContact O-N 2.89Å; L294-A297 PolarHBondContact O-N 3.37Å; G295-A297 VanDerWaalsContact C-N 3.31Å; G295-A297 PolarHBondContact O-N 2.99Å; A297-V299 PolarHBondContact O-N 2.82Å; A297-Y300 PolarHBondContact O-N 3.03Å; A297-L301 WeakPolarHBondContact O-CG 3.32Å; A297-L301 PolarHBondContact O-N 3.02Å; A297-L326 HydrophobicContact CB-CB 3.92Å; A297-L326 HydrophobicContact CB-CD1 4.11Å; A297-M330 HydrophobicContact CB-CE 4.17Å
298H98.5Very high97.7Very high57 Ų5733.1 Ų33.126%0.26416%0.161SC..Hα-helixtrans-64.4-37.1174.1-71148.5000113.2L261 L294 G295 Q296 G302L261-H298 HydrophobicContact CD2-CB 3.82Å; L294-H298 PolarHBondContact O-N 2.88Å; L294-H298 VanDerWaalsContact O-N 3.13Å; L294-H298 PolarHBondContact O-ND1 3.48Å; G295-H298 WeakPolarHBondContact O-CB 3.4Å; G295-H298 PolarHBondContact O-N 3.36Å; G295-H298 VanDerWaalsContact O-N 3.14Å; Q296-H298 VanDerWaalsContact C-N 3.34Å; Q296-H298 PolarHBondContact O-N 2.93Å; H298-G302 PolarHBondContact O-N 3.27Å
299V98.8Very high97.7Very high1 Ų132.8 Ų32.81%0.00616%0.156CC..Hα-helixtrans-61.5-51.3173.5170.20000110.3L261 Y280 A283 L284 M287 G295 Q296 A297 L301 G302 V303L261-V299 HydrophobicContact CD1-CG2 3.9Å; Y280-V299 HydrophobicContact CD1-CB 4.39Å; Y280-V299 HydrophobicContact CD1-CG1 3.9Å; Y280-V299 HydrophobicContact CD1-CG2 4.47Å; Y280-V299 HydrophobicContact CG-CG1 4.31Å; A283-V299 HydrophobicContact CB-CG2 3.97Å; L284-V299 HydrophobicContact CB-CG1 3.99Å; L284-V299 HydrophobicContact CD1-CB 4.45Å; L284-V299 HydrophobicContact CD1-CG1 4.31Å; M287-V299 HydrophobicContact CE-CG2 4.32Å; M287-V299 HydrophobicContact SD-CG2 3.63Å; G295-V299 PolarHBondContact O-N 3.48Å; Q296-V299 WeakPolarHBondContact O-CB 3.38Å; Q296-V299 PolarHBondContact O-N 2.9Å; Q296-V299 VanDerWaalsContact O-N 3.14Å; A297-V299 PolarHBondContact O-N 2.82Å; V299-L301 VanDerWaalsContact C-N 3.33Å; V299-L301 PolarHBondContact O-N 3.31Å; V299-G302 CarbonylContact O-C 3.6Å; V299-G302 WeakPolarHBondContact O-CA 3.39Å; V299-G302 PolarHBondContact O-N 3.31Å; V299-V303 HydrophobicContact CG1-CG2 4.11Å; V299-V303 WeakPolarHBondContact O-CG2 3.32Å; V299-V303 PolarHBondContact O-N 2.91Å
300Y98.9Very high97.7Very high55 Ų5530.6 Ų30.622%0.21615%0.146CC..Hα-helixtrans-60.3-39.9179.2-75.8-60.5000113L284 Q296 A297 G302 V303 A304 S319 R322 L326L284-Y300 HydrophobicContact CD1-CE2 3.96Å; L284-Y300 HydrophobicContact CD2-CE1 4.17Å; Q296-Y300 WeakPolarHBondContact O-CD2 3.44Å; Q296-Y300 PolarHBondContact O-N 3.04Å; A297-Y300 PolarHBondContact O-N 3.03Å; Y300-G302 VanDerWaalsContact C-N 3.3Å; Y300-G302 PolarHBondContact O-N 2.94Å; Y300-V303 PolarHBondContact O-N 3.32Å; Y300-A304 WeakPolarHBondContact O-CB 3.28Å; Y300-A304 PolarHBondContact O-N 2.94Å; Y300-S319 WeakPolarHBondContact CB-O 3.33Å; Y300-R322 HydrophobicContact CD1-CB 3.8Å; Y300-R322 HydrophobicContact CD1-CG 4.33Å; Y300-R322 HydrophobicContact CD2-CB 3.79Å; Y300-R322 HydrophobicContact CE1-CB 3.82Å; Y300-R322 HydrophobicContact CE1-CG 4Å; Y300-R322 HydrophobicContact CE2-CB 3.8Å; Y300-R322 HydrophobicContact CG-CB 3.8Å; Y300-L326 HydrophobicContact CD2-CD1 3.78Å; Y300-L326 HydrophobicContact CE2-CD1 3.91Å
301L98.8Very high97.8Very high6 Ų637.8 Ų37.83%0.03118%0.177CC..Hα-helixtrans-61.4-37.2171.6-75.5174.8000112.7A297 V299 K305 L320 A323 K338 V339 L342A297-L301 WeakPolarHBondContact O-CG 3.32Å; A297-L301 PolarHBondContact O-N 3.02Å; V299-L301 VanDerWaalsContact C-N 3.33Å; V299-L301 PolarHBondContact O-N 3.31Å; L301-K305 VanDerWaalsContact O-CG 3.3Å; L301-K305 WeakPolarHBondContact O-CG 3.22Å; L301-K305 PolarHBondContact O-N 3.47Å; L301-L320 HydrophobicContact CD2-CD2 3.95Å; L301-A323 HydrophobicContact CD2-CB 4.21Å; L301-A323 HydrophobicContact CG-CB 4.08Å; L301-K338 HydrophobicContact CD1-CB 4.08Å; L301-K338 HydrophobicContact CD1-CD 4.08Å; L301-K338 HydrophobicContact CD2-CB 4.18Å; L301-V339 HydrophobicContact CD2-CG2 3.77Å; L301-L342 HydrophobicContact CD2-CD1 3.97Å
302G98.6Very high98Very high2 Ų239.2 Ų39.22%0.02118%0.182CC..Hα-helixtrans-69.5-44176.500000112.8R268 Y280 H298 V299 Y300 K305 C306R268-G302 WeakPolarHBondContact CD-O 3.22Å; Y280-G302 WeakPolarHBondContact OH-CA 3.27Å; H298-G302 PolarHBondContact O-N 3.27Å; V299-G302 CarbonylContact O-C 3.6Å; V299-G302 WeakPolarHBondContact O-CA 3.39Å; V299-G302 PolarHBondContact O-N 3.31Å; Y300-G302 VanDerWaalsContact C-N 3.3Å; Y300-G302 PolarHBondContact O-N 2.94Å; G302-K305 WeakPolarHBondContact O-CB 3.49Å; G302-K305 PolarHBondContact O-N 3.45Å; G302-C306 PolarHBondContact O-N 2.97Å; G302-C306 VanDerWaalsContact O-N 3.09Å
303V98.8Very high98Very high21 Ų2140.5 Ų40.513%0.12719%0.185CC..Hα-helixtrans-61.7-46.7175170.40000110.7F277 Y280 V299 Y300 K305 C306 W307 S319F277-V303 HydrophobicContact CD1-CG1 4.45Å; F277-V303 HydrophobicContact CE1-CG1 4.05Å; Y280-V303 HydrophobicContact CD1-CG2 4.26Å; Y280-V303 HydrophobicContact CD2-CG2 3.9Å; Y280-V303 HydrophobicContact CG-CG2 3.68Å; V299-V303 HydrophobicContact CG1-CG2 4.11Å; V299-V303 WeakPolarHBondContact O-CG2 3.32Å; V299-V303 PolarHBondContact O-N 2.91Å; Y300-V303 PolarHBondContact O-N 3.32Å; V303-K305 VanDerWaalsContact C-N 3.26Å; V303-K305 PolarHBondContact O-N 3.32Å; V303-C306 WeakPolarHBondContact O-CA 3.3Å; V303-C306 WeakPolarHBondContact O-CB 3.46Å; V303-C306 PolarHBondContact O-N 2.89Å; V303-W307 PolarHBondContact O-N 3.38Å; V303-S319 WeakPolarHBondContact CG1-OG 3.46Å
304A98.8Very high98Very high0 Ų042.8 Ų42.80%020%0.203CC..Hα-helixtrans-54.2-44.5174.400000111.5Y300 C306 W307 L308 L320Y300-A304 WeakPolarHBondContact O-CB 3.28Å; Y300-A304 PolarHBondContact O-N 2.94Å; A304-C306 VanDerWaalsContact C-N 3.31Å; A304-C306 PolarHBondContact O-N 3.23Å; A304-W307 PolarHBondContact O-N 2.89Å; A304-L308 VanDerWaalsContact O-CG 3.31Å; A304-L308 WeakPolarHBondContact O-CG 3.41Å; A304-L308 PolarHBondContact O-N 3.2Å; A304-L320 HydrophobicContact CB-CD1 4.49Å; A304-L320 HydrophobicContact CB-CD2 3.64Å; A304-L320 HydrophobicContact CB-CG 3.71Å
305K98.6Very high98Very high64 Ų6445.1 Ų45.128%0.27821%0.211SC..Hα-helixtrans-64.8-31.3176-70.6170.2-173.9178.20113.4L301 G302 V303 L309 L342L301-K305 VanDerWaalsContact O-CG 3.3Å; L301-K305 WeakPolarHBondContact O-CG 3.22Å; L301-K305 PolarHBondContact O-N 3.47Å; G302-K305 WeakPolarHBondContact O-CB 3.49Å; G302-K305 PolarHBondContact O-N 3.45Å; V303-K305 VanDerWaalsContact C-N 3.26Å; V303-K305 PolarHBondContact O-N 3.32Å; K305-L309 WeakPolarHBondContact O-CG 3.26Å; K305-L309 PolarHBondContact O-N 2.84Å; K305-L342 HydrophobicContact CG-CD1 4.14Å; K305-L342 HydrophobicContact CG-CD2 4.17Å
306C98.6Very high98Very high0 Ų045 Ų450%021%0.21CC..Hα-helixtrans-67.1-44.7171.6-74.30000111.5V273 F277 G302 V303 A304 L308 L309 Q310V273-C306 HydrophobicContact CB-CB 4.48Å; V273-C306 HydrophobicContact CG1-CB 4.05Å; F277-C306 HydrophobicContact CD1-CB 4.35Å; F277-C306 HydrophobicContact CE1-CB 3.56Å; F277-C306 HydrophobicContact CE2-CB 4.03Å; F277-C306 HydrophobicContact CZ-CB 3.38Å; G302-C306 PolarHBondContact O-N 2.97Å; G302-C306 VanDerWaalsContact O-N 3.09Å; V303-C306 WeakPolarHBondContact O-CA 3.3Å; V303-C306 WeakPolarHBondContact O-CB 3.46Å; V303-C306 PolarHBondContact O-N 2.89Å; A304-C306 VanDerWaalsContact C-N 3.31Å; A304-C306 PolarHBondContact O-N 3.23Å; C306-L308 VanDerWaalsContact C-N 3.3Å; C306-L308 PolarHBondContact O-N 3.41Å; C306-L309 WeakPolarHBondContact O-CB 3.45Å; C306-L309 PolarHBondContact O-N 3.34Å; C306-L309 VanDerWaalsContact O-N 3.11Å; C306-Q310 PolarHBondContact O-N 2.9Å; C306-Q310 VanDerWaalsContact O-N 3.15Å
307W98.4Very high98Very high52 Ų5245.2 Ų45.220%0.19721%0.212CC..Hα-helixtrans-62-38175.9-67.7129.5000112.4F277 V303 A304 L309 Q310 K311 D312 K315 A316F277-W307 HydrophobicContact CE1-CD2 4.05Å; F277-W307 AromaticContact CE1-CE2 3.63Å; F277-W307 HydrophobicContact CE1-CG 4.49Å; F277-W307 HydrophobicContact CE1-CH2 4.31Å; F277-W307 AromaticContact CE1-CZ2 3.77Å; F277-W307 HydrophobicContact CE1-CZ2 3.77Å; F277-W307 AromaticContact CE1-NE1 3.89Å; F277-W307 HydrophobicContact CE2-CE3 4.5Å; F277-W307 HydrophobicContact CE2-CH2 4.22Å; F277-W307 HydrophobicContact CE2-CZ2 4.49Å; F277-W307 HydrophobicContact CE2-CZ3 4.24Å; F277-W307 AromaticContact CZ-CD2 3.66Å; F277-W307 HydrophobicContact CZ-CD2 3.66Å; F277-W307 AromaticContact CZ-CE2 3.64Å; F277-W307 AromaticContact CZ-CE3 3.78Å; F277-W307 HydrophobicContact CZ-CE3 3.78Å; F277-W307 HydrophobicContact CZ-CG 4.3Å; F277-W307 AromaticContact CZ-CH2 3.83Å; F277-W307 HydrophobicContact CZ-CH2 3.83Å; F277-W307 AromaticContact CZ-CZ2 3.73Å; F277-W307 HydrophobicContact CZ-CZ2 3.73Å; F277-W307 AromaticContact CZ-CZ3 3.87Å; F277-W307 HydrophobicContact CZ-CZ3 3.87Å; V303-W307 PolarHBondContact O-N 3.38Å; A304-W307 PolarHBondContact O-N 2.89Å; W307-L309 VanDerWaalsContact C-N 3.34Å; W307-L309 PolarHBondContact O-N 3.39Å; W307-Q310 CarbonylContact O-C 3.45Å; W307-Q310 WeakPolarHBondContact O-CA 3.31Å; W307-Q310 PolarHBondContact O-N 3.31Å; W307-K311 PolarHBondContact O-N 2.94Å; W307-D312 WeakPolarHBondContact CB-O 3.48Å; W307-D312 HydrophobicContact CE3-CB 3.95Å; W307-D312 PolarHBondContact O-N 2.91Å; W307-K315 HydrophobicContact CB-CB 4.37Å; W307-K315 HydrophobicContact CD2-CB 3.71Å; W307-K315 HydrophobicContact CD2-CD 3.92Å; W307-K315 HydrophobicContact CE3-CB 4.31Å; W307-K315 HydrophobicContact CE3-CD 3.91Å; W307-K315 HydrophobicContact CG-CB 3.72Å; W307-K315 HydrophobicContact CH2-CD 3.66Å; W307-K315 HydrophobicContact CZ2-CD 3.61Å; W307-K315 HydrophobicContact CZ3-CD 3.79Å; W307-A316 HydrophobicContact CB-CB 3.81Å
308L97.6Very high98Very high43 Ų4350.7 Ų50.723%0.22524%0.237CC..Hα-helixtrans-59.5-40.5171.7-70.5177.7000113.2A304 C306 Q310 K311 Y313 A316 L342 I346A304-L308 VanDerWaalsContact O-CG 3.31Å; A304-L308 WeakPolarHBondContact O-CG 3.41Å; A304-L308 PolarHBondContact O-N 3.2Å; C306-L308 VanDerWaalsContact C-N 3.3Å; C306-L308 PolarHBondContact O-N 3.41Å; L308-Q310 PolarHBondContact O-N 2.99Å; L308-K311 PolarHBondContact O-N 3.25Å; L308-K311 VanDerWaalsContact O-N 3.1Å; L308-Y313 HydrophobicContact CD2-CD1 3.88Å; L308-Y313 HydrophobicContact CD2-CE1 4.05Å; L308-A316 HydrophobicContact CD2-CB 3.97Å; L308-A316 HydrophobicContact CG-CB 4.1Å; L308-L342 HydrophobicContact CD1-CD2 3.77Å; L308-I346 HydrophobicContact CD2-CD1 3.75Å; L308-I346 HydrophobicContact CD2-CG1 3.42Å; L308-I346 VanDerWaalsContact CD2-CG1 3.42Å
309L97.3Very high98Very high73 Ų7348.5 Ų48.538%0.38223%0.228SC..Hα-helixtrans-63.8-32.6174.7-71174.8000111.9R268 V273 K305 C306 W307 K311R268-L309 HydrophobicContact CG-CD1 3.94Å; V273-L309 HydrophobicContact CG1-CB 4.28Å; V273-L309 HydrophobicContact CG1-CD1 4.02Å; K305-L309 WeakPolarHBondContact O-CG 3.26Å; K305-L309 PolarHBondContact O-N 2.84Å; C306-L309 WeakPolarHBondContact O-CB 3.45Å; C306-L309 PolarHBondContact O-N 3.34Å; C306-L309 VanDerWaalsContact O-N 3.11Å; W307-L309 VanDerWaalsContact C-N 3.34Å; W307-L309 PolarHBondContact O-N 3.39Å; L309-K311 VanDerWaalsContact C-N 3.32Å
310Q97.1Very high98Very high84 Ų8448.4 Ų48.439%0.39323%0.228SC..Hα-helixtrans-84.9-4.1175.2-67.7-178-42.700113.5V273 C306 W307 L308 D312V273-Q310 HydrophobicContact CG2-CG 4.08Å; C306-Q310 PolarHBondContact O-N 2.9Å; C306-Q310 VanDerWaalsContact O-N 3.15Å; W307-Q310 CarbonylContact O-C 3.45Å; W307-Q310 WeakPolarHBondContact O-CA 3.31Å; W307-Q310 PolarHBondContact O-N 3.31Å; L308-Q310 PolarHBondContact O-N 2.99Å; Q310-D312 PolarHBondContact O-N 3.47Å
311K96.3Very high98Very high155 Ų15550.9 Ų50.967%0.67424%0.241SC*.THydrogen-bonded Turntrans59.424-174.3-51.9-179.9-179.7-179.80114.1W307 L308 L309 Y313W307-K311 PolarHBondContact O-N 2.94Å; L308-K311 PolarHBondContact O-N 3.25Å; L308-K311 VanDerWaalsContact O-N 3.1Å; L309-K311 VanDerWaalsContact C-N 3.32Å; K311-Y313 PolarHBondContact O-N 3.22Å
312D97.2Very high98Very high43 Ų4356 Ų5623%0.2326%0.26CS..  trans-8885.4171.5-167.8-30.1000108.3W307 Q310 K315 A316W307-D312 WeakPolarHBondContact CB-O 3.48Å; W307-D312 HydrophobicContact CE3-CB 3.95Å; W307-D312 PolarHBondContact O-N 2.91Å; Q310-D312 PolarHBondContact O-N 3.47Å; D312-K315 WeakPolarHBondContact OD1-CG 3.4Å; D312-K315 PolarHBondContact OD1-N 3.13Å; D312-K315 VanDerWaalsContact OD2-CD 3.3Å; D312-K315 WeakPolarHBondContact OD2-CD 3.34Å; D312-K315 WeakPolarHBondContact OD2-CE 3.08Å; D312-K315 IonicContact OD2-NZ 2.74Å; D312-K315 PolarHBondContact OD2-NZ 3.12Å; D312-A316 WeakPolarHBondContact O-CB 3.06Å; D312-A316 PolarHBondContact O-N 3Å
313Y96.6Very high98Very high52 Ų5255.9 Ų55.920%0.20426%0.259CS..Hα-helixtrans-71.2-31.5-171.9-62.5-52000113.2L308 K311 A316 L317 I346 N350L308-Y313 HydrophobicContact CD2-CD1 3.88Å; L308-Y313 HydrophobicContact CD2-CE1 4.05Å; K311-Y313 PolarHBondContact O-N 3.22Å; Y313-A316 WeakPolarHBondContact O-CB 3.45Å; Y313-A316 PolarHBondContact O-N 2.94Å; Y313-L317 WeakPolarHBondContact O-CG 3.43Å; Y313-L317 PolarHBondContact O-N 2.82Å; Y313-I346 HydrophobicContact CD1-CB 4.49Å; Y313-I346 HydrophobicContact CD1-CG1 4.06Å; Y313-I346 HydrophobicContact CD1-CG2 4.02Å; Y313-I346 HydrophobicContact CG-CG2 4.03Å; Y313-N350 VanDerWaalsContact CD2-OD1 3.25Å; Y313-N350 WeakPolarHBondContact CD2-OD1 3.5Å; Y313-N350 WeakPolarHBondContact CE2-OD1 3.11Å
314D96.6Very high98Very high124 Ų12456 Ų5666%0.66326%0.258SS*.Hα-helixtrans-66.7-48.2-179.1-62.4-29.9000110.7A316 L317 E318D314-A316 VanDerWaalsContact C-N 3.28Å; D314-A316 PolarHBondContact O-N 3.44Å; D314-L317 PolarHBondContact O-N 3.47Å; D314-L317 VanDerWaalsContact O-N 3.16Å; D314-E318 PolarHBondContact O-N 2.89Å
315K98Very high97.9Very high86 Ų8661 Ų6137%0.37428%0.282SS..Hα-helixtrans-66.2-31.6175-66.9-173-169.4130.80113W307 D312 S319W307-K315 HydrophobicContact CB-CB 4.37Å; W307-K315 HydrophobicContact CD2-CB 3.71Å; W307-K315 HydrophobicContact CD2-CD 3.92Å; W307-K315 HydrophobicContact CE3-CB 4.31Å; W307-K315 HydrophobicContact CE3-CD 3.91Å; W307-K315 HydrophobicContact CG-CB 3.72Å; W307-K315 HydrophobicContact CH2-CD 3.66Å; W307-K315 HydrophobicContact CZ2-CD 3.61Å; W307-K315 HydrophobicContact CZ3-CD 3.79Å; D312-K315 WeakPolarHBondContact OD1-CG 3.4Å; D312-K315 PolarHBondContact OD1-N 3.13Å; D312-K315 VanDerWaalsContact OD2-CD 3.3Å; D312-K315 WeakPolarHBondContact OD2-CD 3.34Å; D312-K315 WeakPolarHBondContact OD2-CE 3.08Å; D312-K315 IonicContact OD2-NZ 2.74Å; D312-K315 PolarHBondContact OD2-NZ 3.12Å; K315-S319 WeakPolarHBondContact O-CB 3.37Å; K315-S319 PolarHBondContact O-N 3.02Å; K315-S319 VanDerWaalsContact O-N 3.08Å; K315-S319 PolarHBondContact O-OG 3.4Å
316A98.4Very high97.9Very high0 Ų059.2 Ų59.20%028%0.275CS..Hα-helixtrans-62.9-46.6172.400000110.6W307 L308 D312 Y313 D314 S319 L320 I346W307-A316 HydrophobicContact CB-CB 3.81Å; L308-A316 HydrophobicContact CD2-CB 3.97Å; L308-A316 HydrophobicContact CG-CB 4.1Å; D312-A316 WeakPolarHBondContact O-CB 3.06Å; D312-A316 PolarHBondContact O-N 3Å; Y313-A316 WeakPolarHBondContact O-CB 3.45Å; Y313-A316 PolarHBondContact O-N 2.94Å; D314-A316 VanDerWaalsContact C-N 3.28Å; D314-A316 PolarHBondContact O-N 3.44Å; A316-S319 PolarHBondContact O-N 2.76Å; A316-L320 WeakPolarHBondContact O-CB 3.48Å; A316-L320 WeakPolarHBondContact O-CG 3.35Å; A316-L320 PolarHBondContact O-N 3.16Å; A316-I346 HydrophobicContact CB-CD1 3.92Å
317L98.1Very high97.9Very high31 Ų3159.2 Ų59.216%0.16228%0.275CS..Hα-helixtrans-62.9-42.5178.5-73171.9000112.6Y313 D314 S319 L320 E321 R343 I346 Y347Y313-L317 WeakPolarHBondContact O-CG 3.43Å; Y313-L317 PolarHBondContact O-N 2.82Å; D314-L317 PolarHBondContact O-N 3.47Å; D314-L317 VanDerWaalsContact O-N 3.16Å; L317-S319 PolarHBondContact O-N 3.15Å; L317-L320 WeakPolarHBondContact O-CB 3.06Å; L317-L320 PolarHBondContact O-N 3.42Å; L317-E321 PolarHBondContact O-N 2.77Å; L317-R343 HydrophobicContact CD2-CG 3.97Å; L317-I346 HydrophobicContact CD1-CG2 4.27Å; L317-I346 HydrophobicContact CD2-CD1 3.74Å; L317-I346 HydrophobicContact CD2-CG2 4.36Å; L317-I346 HydrophobicContact CG-CD1 3.93Å; L317-I346 HydrophobicContact CG-CG2 4.3Å; L317-Y347 HydrophobicContact CD1-CE1 4.13Å; L317-Y347 HydrophobicContact CD2-CE1 4.38Å
318E98.4Very high97.8Very high115 Ų11561.4 Ų61.454%0.53729%0.291SS..Hα-helixtrans-59.1-46.2174.8-174.1-172.7172.400111.2D314 L320 E321 R322D314-E318 PolarHBondContact O-N 2.89Å; E318-L320 VanDerWaalsContact C-N 3.3Å; E318-L320 PolarHBondContact O-N 3.39Å; E318-E321 WeakPolarHBondContact O-CB 3.28Å; E318-E321 PolarHBondContact O-N 3.02Å; E318-R322 PolarHBondContact O-N 2.94Å
319S98.6Very high97.7Very high11 Ų1161.6 Ų61.68%0.07730%0.304CS..Hα-helixtrans-62.5-39176.6-58.60000111.7Y300 V303 K315 A316 L317 E321 R322 A323Y300-S319 WeakPolarHBondContact CB-O 3.33Å; V303-S319 WeakPolarHBondContact CG1-OG 3.46Å; K315-S319 WeakPolarHBondContact O-CB 3.37Å; K315-S319 PolarHBondContact O-N 3.02Å; K315-S319 VanDerWaalsContact O-N 3.08Å; K315-S319 PolarHBondContact O-OG 3.4Å; A316-S319 PolarHBondContact O-N 2.76Å; L317-S319 PolarHBondContact O-N 3.15Å; S319-E321 VanDerWaalsContact C-N 3.34Å; S319-R322 PolarHBondContact O-N 2.88Å; S319-A323 PolarHBondContact O-N 2.92Å; S319-A323 VanDerWaalsContact O-N 3.13Å
320L98.6Very high97.7Very high0 Ų058.2 Ų58.20%029%0.286CS..Hα-helixtrans-68.6-31.9177.5-70.3172.3000112.7L301 A304 A316 L317 E318 A323 Q324 V339 L342 R343 I346L301-L320 HydrophobicContact CD2-CD2 3.95Å; A304-L320 HydrophobicContact CB-CD1 4.49Å; A304-L320 HydrophobicContact CB-CD2 3.64Å; A304-L320 HydrophobicContact CB-CG 3.71Å; A316-L320 WeakPolarHBondContact O-CB 3.48Å; A316-L320 WeakPolarHBondContact O-CG 3.35Å; A316-L320 PolarHBondContact O-N 3.16Å; L317-L320 WeakPolarHBondContact O-CB 3.06Å; L317-L320 PolarHBondContact O-N 3.42Å; E318-L320 VanDerWaalsContact C-N 3.3Å; E318-L320 PolarHBondContact O-N 3.39Å; L320-A323 PolarHBondContact O-N 3.19Å; L320-Q324 WeakPolarHBondContact O-CB 3.25Å; L320-Q324 PolarHBondContact O-N 3.35Å; L320-V339 HydrophobicContact CB-CG1 4.2Å; L320-V339 HydrophobicContact CD2-CG2 4.44Å; L320-L342 HydrophobicContact CD1-CB 3.79Å; L320-L342 HydrophobicContact CD2-CB 3.89Å; L320-L342 HydrophobicContact CD2-CD1 3.66Å; L320-L342 HydrophobicContact CD2-CG 4.42Å; L320-R343 HydrophobicContact CB-CG 4.35Å; L320-R343 HydrophobicContact CD1-CG 3.74Å; L320-I346 HydrophobicContact CD1-CD1 3.79Å
321E98.6Very high97.6Very high106 Ų10655.5 Ų55.550%0.49528%0.28SS..Hα-helixtrans-64.1-47.4173.4-172.9170.8-157.200111.7L317 E318 S319 A323 Q324 E325 R343L317-E321 PolarHBondContact O-N 2.77Å; E318-E321 WeakPolarHBondContact O-CB 3.28Å; E318-E321 PolarHBondContact O-N 3.02Å; S319-E321 VanDerWaalsContact C-N 3.34Å; E321-A323 VanDerWaalsContact C-N 3.29Å; E321-A323 PolarHBondContact O-N 3.39Å; E321-Q324 WeakPolarHBondContact O-CB 3.3Å; E321-Q324 PolarHBondContact O-N 3.37Å; E321-E325 WeakPolarHBondContact O-CG 3.35Å; E321-E325 PolarHBondContact O-N 2.89Å; E321-R343 VanDerWaalsContact CA-NH2 3.29Å
322R98.6Very high97.6Very high114 Ų11448.5 Ų48.543%0.4325%0.25SC..Hα-helixtrans-59-39.8173.9-60.6-58.2-170.8172.40.6112.8Y300 E318 S319 Q324 E325 L326Y300-R322 HydrophobicContact CD1-CB 3.8Å; Y300-R322 HydrophobicContact CD1-CG 4.33Å; Y300-R322 HydrophobicContact CD2-CB 3.79Å; Y300-R322 HydrophobicContact CE1-CB 3.82Å; Y300-R322 HydrophobicContact CE1-CG 4Å; Y300-R322 HydrophobicContact CE2-CB 3.8Å; Y300-R322 HydrophobicContact CG-CB 3.8Å; E318-R322 PolarHBondContact O-N 2.94Å; S319-R322 PolarHBondContact O-N 2.88Å; R322-Q324 VanDerWaalsContact C-N 3.33Å; R322-E325 IonicContact NH1-OE2 2.74Å; R322-L326 WeakPolarHBondContact O-CG 3.17Å; R322-L326 PolarHBondContact O-N 3.43Å
323A98.6Very high97.5Very high0 Ų049.5 Ų49.50%025%0.252CS..Hα-helixtrans-65-37.3175.500000112.3L301 S319 L320 E321 A327 V339L301-A323 HydrophobicContact CD2-CB 4.21Å; L301-A323 HydrophobicContact CG-CB 4.08Å; S319-A323 PolarHBondContact O-N 2.92Å; S319-A323 VanDerWaalsContact O-N 3.13Å; L320-A323 PolarHBondContact O-N 3.19Å; E321-A323 VanDerWaalsContact C-N 3.29Å; E321-A323 PolarHBondContact O-N 3.39Å; A323-A327 WeakPolarHBondContact O-CB 3.3Å; A323-A327 PolarHBondContact O-N 2.82Å; A323-V339 HydrophobicContact CB-CG2 3.8Å
324Q98.3Very high97.4Very high22 Ų2248.1 Ų48.110%0.10325%0.248CC..Hα-helixtrans-66-49.3177.3-173.266.442.500111.7L320 E321 R322 L326 A327 D328 V339L320-Q324 WeakPolarHBondContact O-CB 3.25Å; L320-Q324 PolarHBondContact O-N 3.35Å; E321-Q324 WeakPolarHBondContact O-CB 3.3Å; E321-Q324 PolarHBondContact O-N 3.37Å; R322-Q324 VanDerWaalsContact C-N 3.33Å; Q324-L326 PolarHBondContact O-N 3.42Å; Q324-A327 WeakPolarHBondContact O-CB 3.19Å; Q324-A327 PolarHBondContact O-N 3.35Å; Q324-D328 WeakPolarHBondContact CG-OD2 3.44Å; Q324-D328 VanDerWaalsContact NE2-CG 3.28Å; Q324-D328 PolarHBondContact NE2-OD1 3.04Å; Q324-D328 PolarHBondContact NE2-OD2 3.35Å; Q324-D328 PolarHBondContact O-N 3.06Å; Q324-V339 HydrophobicContact CB-CG1 4.24Å; Q324-V339 VanDerWaalsContact OE1-CG1 3.31Å
325E98.3Very high97.3Very high105 Ų10542.2 Ų42.249%0.49122%0.217SC..Hα-helixtrans-53.8-44.2178.4-69.7174.4165.800111.4E321 R322 G329E321-E325 WeakPolarHBondContact O-CG 3.35Å; E321-E325 PolarHBondContact O-N 2.89Å; R322-E325 IonicContact NH1-OE2 2.74Å; E325-G329 PolarHBondContact O-N 3.49Å
326L98.4Very high97.2Very high28 Ų2838.6 Ų38.615%0.14720%0.202CC..Hα-helixtrans-67.1-43.4176.4-71.5168.3000112.1R293 Q296 A297 Y300 R322 Q324 G329 M330R293-L326 HydrophobicContact CB-CD2 4.11Å; R293-L326 HydrophobicContact CG-CD2 4.24Å; Q296-L326 HydrophobicContact CB-CD1 3.62Å; A297-L326 HydrophobicContact CB-CB 3.92Å; A297-L326 HydrophobicContact CB-CD1 4.11Å; Y300-L326 HydrophobicContact CD2-CD1 3.78Å; Y300-L326 HydrophobicContact CE2-CD1 3.91Å; R322-L326 WeakPolarHBondContact O-CG 3.17Å; R322-L326 PolarHBondContact O-N 3.43Å; Q324-L326 PolarHBondContact O-N 3.42Å; L326-G329 PolarHBondContact O-N 2.87Å; L326-M330 HydrophobicContact CB-CE 4.2Å; L326-M330 WeakPolarHBondContact O-CE 3.24Å; L326-M330 WeakPolarHBondContact O-CG 3.48Å; L326-M330 PolarHBondContact O-N 3.03Å
327A97.6Very high97.1Very high0 Ų039.8 Ų39.80%021%0.209CC..Hα-helixtrans-59.7-47.6178.900000111.5A323 Q324 M330 G331 N332 C335 S336A323-A327 WeakPolarHBondContact O-CB 3.3Å; A323-A327 PolarHBondContact O-N 2.82Å; Q324-A327 WeakPolarHBondContact O-CB 3.19Å; Q324-A327 PolarHBondContact O-N 3.35Å; A327-M330 PolarHBondContact O-N 3.22Å; A327-G331 PolarHBondContact O-N 3.21Å; A327-N332 PolarHBondContact O-N 3.03Å; A327-C335 HydrophobicContact CB-CB 3.71Å; A327-S336 WeakPolarHBondContact CB-OG 3.48Å
328D96.1Very high97Very high97 Ų9741 Ų4152%0.51921%0.213SC..Hα-helixtrans-65.1-43.4179.7-65.7-20.3000110.8Q324 M330 G331Q324-D328 WeakPolarHBondContact CG-OD2 3.44Å; Q324-D328 VanDerWaalsContact NE2-CG 3.28Å; Q324-D328 PolarHBondContact NE2-OD1 3.04Å; Q324-D328 PolarHBondContact NE2-OD2 3.35Å; Q324-D328 PolarHBondContact O-N 3.06Å; D328-M330 PolarHBondContact O-N 2.91Å; D328-M330 VanDerWaalsContact O-N 3.13Å; D328-G331 PolarHBondContact O-N 3.42Å; D328-G331 VanDerWaalsContact O-N 3.11Å
329G96.5Very high96.9Very high48 Ų4835.6 Ų35.650%0.49519%0.187SC..Hα-helixtrans-65.7-12.6176.600000115.4R293 E325 L326R293-G329 PolarHBondContact NH1-O 2.77Å; E325-G329 PolarHBondContact O-N 3.49Å; L326-G329 PolarHBondContact O-N 2.87Å
330M96.4Very high96.8Very high2 Ų235.5 Ų35.51%0.0119%0.185CC..Hα-helixtrans-109.3-12.2173.4-63.7-179.9-71.900113C108 F110 R293 L294 A297 L326 A327 D328 N332C108-M330 HydrophobicContact CB-CG 3.88Å; C108-M330 HydrophobicContact CB-SD 3.47Å; C108-M330 WeakPolarHBondContact CB-SD 3.39Å; F110-M330 HydrophobicContact CD2-CB 4.45Å; F110-M330 HydrophobicContact CE2-CB 4.22Å; F110-M330 HydrophobicContact CE2-SD 4.36Å; R293-M330 HydrophobicContact CB-CE 4.43Å; R293-M330 HydrophobicContact CB-CG 4.2Å; R293-M330 HydrophobicContact CB-SD 3.61Å; L294-M330 HydrophobicContact CB-CE 4.35Å; L294-M330 HydrophobicContact CB-SD 3.88Å; L294-M330 HydrophobicContact CD1-CE 4.23Å; L294-M330 PolarHBondContact N-SD 3.22Å; L294-M330 VanDerWaalsContact N-SD 3.36Å; A297-M330 HydrophobicContact CB-CE 4.17Å; L326-M330 HydrophobicContact CB-CE 4.2Å; L326-M330 WeakPolarHBondContact O-CE 3.24Å; L326-M330 WeakPolarHBondContact O-CG 3.48Å; L326-M330 PolarHBondContact O-N 3.03Å; A327-M330 PolarHBondContact O-N 3.22Å; D328-M330 PolarHBondContact O-N 2.91Å; D328-M330 VanDerWaalsContact O-N 3.13Å; M330-N332 VanDerWaalsContact C-N 3.3Å; M330-N332 HydrophobicContact CB-CB 4.35Å; M330-N332 HydrophobicContact CE-CB 4.44Å
331G95.6Very high96.6Very high26 Ų2638 Ų3827%0.26820%0.203SC..THydrogen-bonded Turntrans63.532.2-16600000113.5A327 D328 K333A327-G331 PolarHBondContact O-N 3.21Å; D328-G331 PolarHBondContact O-N 3.42Å; D328-G331 VanDerWaalsContact O-N 3.11Å; G331-K333 PolarHBondContact O-N 3.42Å
332N96.4Very high96.5Very high8 Ų834.5 Ų34.54%0.04319%0.188CC..  trans-86.292.1180-171.6-64.1000111.3G146 L294 A327 M330 L334 C335 S336G146-N332 PolarHBondContact O-ND2 3Å; L294-N332 WeakPolarHBondContact CD1-ND2 3.49Å; A327-N332 PolarHBondContact O-N 3.03Å; M330-N332 VanDerWaalsContact C-N 3.3Å; M330-N332 HydrophobicContact CB-CB 4.35Å; M330-N332 HydrophobicContact CE-CB 4.44Å; N332-L334 VanDerWaalsContact C-N 3.35Å; N332-L334 PolarHBondContact O-N 3.36Å; N332-L334 PolarHBondContact OD1-N 3.47Å; N332-C335 HydrophobicContact CB-CB 4.15Å; N332-C335 PolarHBondContact O-N 3.33Å; N332-C335 WeakPolarHBondContact OD1-CB 3.36Å; N332-C335 PolarHBondContact OD1-N 3.25Å; N332-S336 PolarHBondContact O-N 2.79Å; N332-S336 PolarHBondContact O-OG 3.38Å
333K93.9Very high96.5Very high65 Ų6530.7 Ų30.728%0.28317%0.173SC..Hα-helixtrans-61.8-37.3-175.6-55.8176.1176.8-142.10113.9G331 C335 S336 L337 E369 L370G331-K333 PolarHBondContact O-N 3.42Å; K333-C335 VanDerWaalsContact C-N 3.31Å; K333-C335 PolarHBondContact O-N 3.13Å; K333-S336 PolarHBondContact O-N 3.5Å; K333-L337 WeakPolarHBondContact O-CB 3.47Å; K333-L337 PolarHBondContact O-N 2.99Å; K333-E369 HydrophobicContact CD-CB 4.14Å; K333-E369 WeakPolarHBondContact CD-OE2 3.41Å; K333-E369 VanDerWaalsContact CE-OE2 3.22Å; K333-E369 WeakPolarHBondContact CE-OE2 3.47Å; K333-E369 IonicContact NZ-OE2 3.76Å; K333-E369 PolarHBondContact NZ-OE2 3.32Å; K333-L370 HydrophobicContact CB-CD2 3.78Å; K333-L370 HydrophobicContact CB-CG 4.47Å
334L94.6Very high96.3Very high22 Ų2232 Ų3212%0.11518%0.179CC..Hα-helixtrans-66.4-34.8178.8-176.968.7000112.1S148 F150 Q186 N332 L337 K338 L370S148-L334 WeakPolarHBondContact OG-CB 3.41Å; S148-L334 PolarHBondContact OG-N 3Å; F150-L334 HydrophobicContact CZ-CD1 4.48Å; F150-L334 HydrophobicContact CZ-CD2 4.03Å; Q186-L334 HydrophobicContact CB-CD2 3.94Å; Q186-L334 HydrophobicContact CG-CD2 3.95Å; N332-L334 VanDerWaalsContact C-N 3.35Å; N332-L334 PolarHBondContact O-N 3.36Å; N332-L334 PolarHBondContact OD1-N 3.47Å; L334-L337 HydrophobicContact CD1-CD2 4.24Å; L334-K338 HydrophobicContact CG-CD 4.46Å; L334-K338 VanDerWaalsContact O-CG 3.3Å; L334-K338 WeakPolarHBondContact O-CG 3.49Å; L334-K338 PolarHBondContact O-N 3.27Å; L334-L370 HydrophobicContact CD1-CD1 4.21Å
335C96.3Very high96Very high1 Ų132.1 Ų32.11%0.00719%0.187CC..Hα-helixtrans-67.4-46.7175.2-169.10000110.3A327 N332 K333 L337 K338 V339A327-C335 HydrophobicContact CB-CB 3.71Å; N332-C335 HydrophobicContact CB-CB 4.15Å; N332-C335 PolarHBondContact O-N 3.33Å; N332-C335 WeakPolarHBondContact OD1-CB 3.36Å; N332-C335 PolarHBondContact OD1-N 3.25Å; K333-C335 VanDerWaalsContact C-N 3.31Å; K333-C335 PolarHBondContact O-N 3.13Å; C335-L337 VanDerWaalsContact C-N 3.33Å; C335-L337 PolarHBondContact O-N 2.99Å; C335-K338 WeakPolarHBondContact O-CB 3.27Å; C335-K338 PolarHBondContact O-N 3.05Å; C335-K338 VanDerWaalsContact O-N 3.11Å; C335-V339 WeakPolarHBondContact O-CG2 3.47Å; C335-V339 PolarHBondContact O-N 3.46Å
336S95.9Very high95.9Very high10 Ų1027.1 Ų27.17%0.0716%0.164CC..Hα-helixtrans-57.8-44.3174.6-50.80000111.6A327 N332 K333 K338 V339 H340A327-S336 WeakPolarHBondContact CB-OG 3.48Å; N332-S336 PolarHBondContact O-N 2.79Å; N332-S336 PolarHBondContact O-OG 3.38Å; K333-S336 PolarHBondContact O-N 3.5Å; S336-K338 VanDerWaalsContact C-N 3.35Å; S336-K338 PolarHBondContact O-N 2.97Å; S336-V339 WeakPolarHBondContact O-CB 3.39Å; S336-V339 PolarHBondContact O-N 3.06Å; S336-V339 VanDerWaalsContact O-N 3.15Å; S336-H340 PolarHBondContact O-CD2 3.24Å; S336-H340 PolarHBondContact O-N 2.93Å
337L94.8Very high95.7Very high25 Ų2527.4 Ų27.413%0.13116%0.163CC..Hα-helixtrans-54.9-48.4173.2-175.979.5000112.1K333 L334 C335 V339 H340 S341 F363 C366 V367 L370K333-L337 WeakPolarHBondContact O-CB 3.47Å; K333-L337 PolarHBondContact O-N 2.99Å; L334-L337 HydrophobicContact CD1-CD2 4.24Å; C335-L337 VanDerWaalsContact C-N 3.33Å; C335-L337 PolarHBondContact O-N 2.99Å; L337-V339 VanDerWaalsContact C-N 3.31Å; L337-V339 PolarHBondContact O-N 2.87Å; L337-H340 PolarHBondContact O-N 3.27Å; L337-S341 WeakPolarHBondContact O-CB 3.45Å; L337-S341 PolarHBondContact O-N 3.24Å; L337-F363 HydrophobicContact CD1-CD2 3.47Å; L337-F363 VanDerWaalsContact CD1-CD2 3.47Å; L337-F363 HydrophobicContact CD1-CE2 3.45Å; L337-F363 VanDerWaalsContact CD1-CE2 3.45Å; L337-F363 HydrophobicContact CD1-CG 4.09Å; L337-F363 HydrophobicContact CD1-CZ 4.05Å; L337-F363 WeakPolarHBondContact CD1-O 3.43Å; L337-F363 HydrophobicContact CD2-CE2 4.5Å; L337-F363 HydrophobicContact CG-CD2 4.08Å; L337-F363 HydrophobicContact CG-CE2 3.85Å; L337-C366 HydrophobicContact CB-CB 3.88Å; L337-C366 HydrophobicContact CD1-CB 3.54Å; L337-C366 HydrophobicContact CG-CB 4.34Å; L337-V367 HydrophobicContact CD1-CG2 3.5Å; L337-L370 HydrophobicContact CB-CD1 4.48Å; L337-L370 HydrophobicContact CD2-CD1 3.74Å
338K95.7Very high95.5Very high57 Ų5733.9 Ų33.925%0.24819%0.187CC..Hα-helixtrans-63.7-37.2179.3-73.8168-176.9165.60111.6L301 L334 C335 S336 L342L301-K338 HydrophobicContact CD1-CB 4.08Å; L301-K338 HydrophobicContact CD1-CD 4.08Å; L301-K338 HydrophobicContact CD2-CB 4.18Å; L334-K338 HydrophobicContact CG-CD 4.46Å; L334-K338 VanDerWaalsContact O-CG 3.3Å; L334-K338 WeakPolarHBondContact O-CG 3.49Å; L334-K338 PolarHBondContact O-N 3.27Å; C335-K338 WeakPolarHBondContact O-CB 3.27Å; C335-K338 PolarHBondContact O-N 3.05Å; C335-K338 VanDerWaalsContact O-N 3.11Å; S336-K338 VanDerWaalsContact C-N 3.35Å; S336-K338 PolarHBondContact O-N 2.97Å; K338-L342 VanDerWaalsContact O-CG 3.3Å; K338-L342 WeakPolarHBondContact O-CG 3.41Å; K338-L342 PolarHBondContact O-N 3.46Å; K338-L342 VanDerWaalsContact O-N 3.16Å
339V97.9Very high95.2Very high0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-62.5-53.3174.7169.20000110.5L301 L320 A323 Q324 C335 S336 L337 S341 L342 R343L301-V339 HydrophobicContact CD2-CG2 3.77Å; L320-V339 HydrophobicContact CB-CG1 4.2Å; L320-V339 HydrophobicContact CD2-CG2 4.44Å; A323-V339 HydrophobicContact CB-CG2 3.8Å; Q324-V339 HydrophobicContact CB-CG1 4.24Å; Q324-V339 VanDerWaalsContact OE1-CG1 3.31Å; C335-V339 WeakPolarHBondContact O-CG2 3.47Å; C335-V339 PolarHBondContact O-N 3.46Å; S336-V339 WeakPolarHBondContact O-CB 3.39Å; S336-V339 PolarHBondContact O-N 3.06Å; S336-V339 VanDerWaalsContact O-N 3.15Å; L337-V339 VanDerWaalsContact C-N 3.31Å; L337-V339 PolarHBondContact O-N 2.87Å; V339-S341 VanDerWaalsContact C-N 3.31Å; V339-S341 PolarHBondContact O-N 3.44Å; V339-L342 PolarHBondContact O-N 3.43Å; V339-L342 VanDerWaalsContact O-N 3.14Å; V339-R343 HydrophobicContact CG1-CG 4.33Å; V339-R343 WeakPolarHBondContact O-CG 3.43Å; V339-R343 PolarHBondContact O-N 2.96Å
340H96.4Very high94.9Very high9 Ų934.6 Ų34.64%0.04218%0.18CC..Hα-helixtrans-61-40.4-179-65.3-50.8000112.2S336 L337 L342 R343 E344 Q359 K362 F363S336-H340 PolarHBondContact O-CD2 3.24Å; S336-H340 PolarHBondContact O-N 2.93Å; L337-H340 PolarHBondContact O-N 3.27Å; H340-L342 VanDerWaalsContact C-N 3.34Å; H340-L342 PolarHBondContact O-N 3.43Å; H340-R343 PolarHBondContact O-N 2.88Å; H340-E344 VanDerWaalsContact O-CB 3.31Å; H340-E344 WeakPolarHBondContact O-CB 3.28Å; H340-E344 PolarHBondContact O-N 3.13Å; H340-Q359 PolarHBondContact ND1-OE1 2.85Å; H340-K362 VanDerWaalsContact CE1-CD 3.45Å; H340-K362 WeakPolarHBondContact CE1-CD 2.99Å; H340-F363 HydrophobicContact CB-CB 4.04Å
341S94.5Very high94.5Very high54 Ų5443.4 Ų43.438%0.37822%0.218SC..Hα-helixtrans-60.1-40.9175.2-179.30000112.9L337 V339 G345L337-S341 WeakPolarHBondContact O-CB 3.45Å; L337-S341 PolarHBondContact O-N 3.24Å; V339-S341 VanDerWaalsContact C-N 3.31Å; V339-S341 PolarHBondContact O-N 3.44Å; S341-G345 PolarHBondContact O-N 2.94Å
342L96.8Very high94.3Very high31 Ų3145.1 Ų45.116%0.16222%0.219CC..Hα-helixtrans-72.4-40.5178-68.2171000111.8L301 K305 L308 L320 K338 V339 H340 G345 I346L301-L342 HydrophobicContact CD2-CD1 3.97Å; K305-L342 HydrophobicContact CG-CD1 4.14Å; K305-L342 HydrophobicContact CG-CD2 4.17Å; L308-L342 HydrophobicContact CD1-CD2 3.77Å; L320-L342 HydrophobicContact CD1-CB 3.79Å; L320-L342 HydrophobicContact CD2-CB 3.89Å; L320-L342 HydrophobicContact CD2-CD1 3.66Å; L320-L342 HydrophobicContact CD2-CG 4.42Å; K338-L342 VanDerWaalsContact O-CG 3.3Å; K338-L342 WeakPolarHBondContact O-CG 3.41Å; K338-L342 PolarHBondContact O-N 3.46Å; K338-L342 VanDerWaalsContact O-N 3.16Å; V339-L342 PolarHBondContact O-N 3.43Å; V339-L342 VanDerWaalsContact O-N 3.14Å; H340-L342 VanDerWaalsContact C-N 3.34Å; H340-L342 PolarHBondContact O-N 3.43Å; L342-G345 PolarHBondContact O-N 3.3Å; L342-I346 WeakPolarHBondContact O-CG1 3.46Å; L342-I346 PolarHBondContact O-N 3.29Å; L342-I346 VanDerWaalsContact O-N 3.14Å
343R97.2Very high94Very high34 Ų3449.8 Ų49.813%0.12824%0.241CC..Hα-helixtrans-63.2-42.1175.3-69.7-178167.2166.5-8.1112L317 L320 E321 V339 H340 G345 I346 Y347 Q359L317-R343 HydrophobicContact CD2-CG 3.97Å; L320-R343 HydrophobicContact CB-CG 4.35Å; L320-R343 HydrophobicContact CD1-CG 3.74Å; E321-R343 VanDerWaalsContact CA-NH2 3.29Å; V339-R343 HydrophobicContact CG1-CG 4.33Å; V339-R343 WeakPolarHBondContact O-CG 3.43Å; V339-R343 PolarHBondContact O-N 2.96Å; H340-R343 PolarHBondContact O-N 2.88Å; R343-G345 VanDerWaalsContact C-N 3.28Å; R343-G345 PolarHBondContact O-N 2.87Å; R343-I346 WeakPolarHBondContact O-CB 3.45Å; R343-I346 PolarHBondContact O-N 2.74Å; R343-I346 VanDerWaalsContact O-N 3.1Å; R343-Y347 HydrophobicContact CB-CD2 4.33Å; R343-Y347 HydrophobicContact CB-CE2 4.07Å; R343-Y347 VanDerWaalsContact O-CD2 3.25Å; R343-Y347 WeakPolarHBondContact O-CD2 3.43Å; R343-Y347 PolarHBondContact O-N 3.4Å; R343-Q359 HydrophobicContact CB-CG 3.8Å
344E94.2Very high93.9Very high27 Ų2754.3 Ų54.313%0.12626%0.263CS..Hα-helixtrans-54-46.8173.2-177.1-156.112600111H340 I346 Y347 R348 L356 Q359 V360H340-E344 VanDerWaalsContact O-CB 3.31Å; H340-E344 WeakPolarHBondContact O-CB 3.28Å; H340-E344 PolarHBondContact O-N 3.13Å; E344-I346 VanDerWaalsContact C-N 3.32Å; E344-I346 PolarHBondContact O-N 3.4Å; E344-Y347 PolarHBondContact O-N 3Å; E344-R348 VanDerWaalsContact O-CB 3.24Å; E344-R348 WeakPolarHBondContact O-CB 3.39Å; E344-R348 PolarHBondContact O-N 3.37Å; E344-R348 IonicContact OE1-CZ 3.98Å; E344-R348 IonicContact OE1-NH1 2.71Å; E344-R348 PolarHBondContact OE1-NH1 3.48Å; E344-R348 IonicContact OE1-NH2 3.13Å; E344-R348 PolarHBondContact OE1-NH2 3.49Å; E344-L356 HydrophobicContact CB-CD1 4.23Å; E344-L356 HydrophobicContact CG-CD1 3.43Å; E344-L356 VanDerWaalsContact CG-CD1 3.43Å; E344-L356 WeakPolarHBondContact O-CD1 3.32Å; E344-Q359 HydrophobicContact CB-CB 4.41Å; E344-V360 HydrophobicContact CG-CG2 3.92Å
345G93.1Very high93.8Very high26 Ų2656.3 Ų56.327%0.26827%0.272SS..Hα-helixtrans-60.1-38.8176.300000113.5S341 L342 R343 N349S341-G345 PolarHBondContact O-N 2.94Å; L342-G345 PolarHBondContact O-N 3.3Å; R343-G345 VanDerWaalsContact C-N 3.28Å; R343-G345 PolarHBondContact O-N 2.87Å; G345-N349 VanDerWaalsContact O-CG 3.25Å; G345-N349 PolarHBondContact O-N 3.01Å; G345-N349 PolarHBondContact O-ND2 3.01Å
346I95.4Very high93.6Very high0 Ų057 Ų570%028%0.275CS..Hα-helixtrans-66-55.3176.4-65169000110.7L308 Y313 A316 L317 L320 L342 R343 E344 R348 N349 N350L308-I346 HydrophobicContact CD2-CD1 3.75Å; L308-I346 HydrophobicContact CD2-CG1 3.42Å; L308-I346 VanDerWaalsContact CD2-CG1 3.42Å; Y313-I346 HydrophobicContact CD1-CB 4.49Å; Y313-I346 HydrophobicContact CD1-CG1 4.06Å; Y313-I346 HydrophobicContact CD1-CG2 4.02Å; Y313-I346 HydrophobicContact CG-CG2 4.03Å; A316-I346 HydrophobicContact CB-CD1 3.92Å; L317-I346 HydrophobicContact CD1-CG2 4.27Å; L317-I346 HydrophobicContact CD2-CD1 3.74Å; L317-I346 HydrophobicContact CD2-CG2 4.36Å; L317-I346 HydrophobicContact CG-CD1 3.93Å; L317-I346 HydrophobicContact CG-CG2 4.3Å; L320-I346 HydrophobicContact CD1-CD1 3.79Å; L342-I346 WeakPolarHBondContact O-CG1 3.46Å; L342-I346 PolarHBondContact O-N 3.29Å; L342-I346 VanDerWaalsContact O-N 3.14Å; R343-I346 WeakPolarHBondContact O-CB 3.45Å; R343-I346 PolarHBondContact O-N 2.74Å; R343-I346 VanDerWaalsContact O-N 3.1Å; E344-I346 VanDerWaalsContact C-N 3.32Å; E344-I346 PolarHBondContact O-N 3.4Å; I346-R348 VanDerWaalsContact C-N 3.29Å; I346-R348 PolarHBondContact O-N 2.92Å; I346-N349 WeakPolarHBondContact O-CB 3.35Å; I346-N349 PolarHBondContact O-N 3.25Å; I346-N350 PolarHBondContact O-N 2.85Å
347Y95.1Very high93.5Very high34 Ų3464.3 Ų64.313%0.13330%0.301CS..Hα-helixtrans-65.7-32.9-175.3-65.2-46000112.8L317 R343 E344 N349 N350 K351 Q352 E355 Q359L317-Y347 HydrophobicContact CD1-CE1 4.13Å; L317-Y347 HydrophobicContact CD2-CE1 4.38Å; R343-Y347 HydrophobicContact CB-CD2 4.33Å; R343-Y347 HydrophobicContact CB-CE2 4.07Å; R343-Y347 VanDerWaalsContact O-CD2 3.25Å; R343-Y347 WeakPolarHBondContact O-CD2 3.43Å; R343-Y347 PolarHBondContact O-N 3.4Å; E344-Y347 PolarHBondContact O-N 3Å; Y347-N349 VanDerWaalsContact C-N 3.34Å; Y347-N349 PolarHBondContact O-N 3.04Å; Y347-N350 PolarHBondContact O-N 3.48Å; Y347-K351 PolarHBondContact O-N 3Å; Y347-Q352 HydrophobicContact CD1-CB 3.9Å; Y347-Q352 HydrophobicContact CD1-CG 4.46Å; Y347-Q352 HydrophobicContact CG-CB 4.37Å; Y347-Q352 PolarHBondContact O-N 3.37Å; Y347-E355 HydrophobicContact CD1-CB 3.94Å; Y347-E355 HydrophobicContact CD2-CB 3.75Å; Y347-E355 HydrophobicContact CE1-CB 3.98Å; Y347-E355 HydrophobicContact CE1-CG 4.39Å; Y347-E355 HydrophobicContact CE2-CB 3.77Å; Y347-E355 HydrophobicContact CG-CB 3.84Å; Y347-Q359 HydrophobicContact CD2-CG 3.65Å; Y347-Q359 HydrophobicContact CE2-CG 3.64Å
348R92.2Very high93.4Very high135 Ų13567.7 Ų67.751%0.50932%0.316SS..Hα-helixtrans-59.9-43.6170.7-178.2179.1-71129.50.4111.7E344 I346 K351 L356E344-R348 VanDerWaalsContact O-CB 3.24Å; E344-R348 WeakPolarHBondContact O-CB 3.39Å; E344-R348 PolarHBondContact O-N 3.37Å; E344-R348 IonicContact OE1-CZ 3.98Å; E344-R348 IonicContact OE1-NH1 2.71Å; E344-R348 PolarHBondContact OE1-NH1 3.48Å; E344-R348 IonicContact OE1-NH2 3.13Å; E344-R348 PolarHBondContact OE1-NH2 3.49Å; I346-R348 VanDerWaalsContact C-N 3.29Å; I346-R348 PolarHBondContact O-N 2.92Å; R348-K351 PolarHBondContact O-N 3.23Å; R348-L356 HydrophobicContact CB-CD1 4.18Å; R348-L356 HydrophobicContact CB-CD2 4.29Å
349N90.1Very high93.2Very high101 Ų10165.3 Ų65.354%0.5431%0.306SS..Hα-helixtrans-70.8-36.4179.3-69.9-20.2000112.3G345 I346 Y347 K351G345-N349 VanDerWaalsContact O-CG 3.25Å; G345-N349 PolarHBondContact O-N 3.01Å; G345-N349 PolarHBondContact O-ND2 3.01Å; I346-N349 WeakPolarHBondContact O-CB 3.35Å; I346-N349 PolarHBondContact O-N 3.25Å; Y347-N349 VanDerWaalsContact C-N 3.34Å; Y347-N349 PolarHBondContact O-N 3.04Å; N349-K351 VanDerWaalsContact C-N 3.28Å; N349-K351 PolarHBondContact O-N 3.3Å
350N91.2Very high92.9Very high59 Ų5967.6 Ų67.632%0.31632%0.32SS..Hα-helixtrans-81.7-1.5179.1-71-2.6000113.9Y313 I346 Y347 Q352Y313-N350 VanDerWaalsContact CD2-OD1 3.25Å; Y313-N350 WeakPolarHBondContact CD2-OD1 3.5Å; Y313-N350 WeakPolarHBondContact CE2-OD1 3.11Å; I346-N350 PolarHBondContact O-N 2.85Å; Y347-N350 PolarHBondContact O-N 3.48Å; N350-Q352 HydrophobicContact CB-CG 4.09Å; N350-Q352 PolarHBondContact ND2-OE1 3.29Å; N350-Q352 PolarHBondContact O-N 2.86Å
351K88.2Confident92.8Very high188 Ų18871 Ų7182%0.81734%0.341SS*.THydrogen-bonded Turntrans5829.5-176.1-54.9-179.2179.7178.70113.8Y347 R348 N349 Q353Y347-K351 PolarHBondContact O-N 3Å; R348-K351 PolarHBondContact O-N 3.23Å; N349-K351 VanDerWaalsContact C-N 3.28Å; N349-K351 PolarHBondContact O-N 3.3Å; K351-Q353 PolarHBondContact O-N 2.93Å
352Q90.6Very high92.7Very high61 Ų6171.6 Ų71.629%0.28534%0.337SS..  trans-85.882.9176.3-75.6179.8-81.100109.6Y347 N350 E354 E355 L356Y347-Q352 HydrophobicContact CD1-CB 3.9Å; Y347-Q352 HydrophobicContact CD1-CG 4.46Å; Y347-Q352 HydrophobicContact CG-CB 4.37Å; Y347-Q352 PolarHBondContact O-N 3.37Å; N350-Q352 HydrophobicContact CB-CG 4.09Å; N350-Q352 PolarHBondContact ND2-OE1 3.29Å; N350-Q352 PolarHBondContact O-N 2.86Å; Q352-E354 PolarHBondContact O-N 3.41Å; Q352-E355 WeakPolarHBondContact CB-OE2 3.26Å; Q352-E355 PolarHBondContact NE2-OE1 3.46Å; Q352-L356 WeakPolarHBondContact O-CB 3.4Å; Q352-L356 PolarHBondContact O-N 2.93Å
353Q90.1Very high92.4Very high107 Ų10772.2 Ų72.250%0.534%0.338SS..Hα-helixtrans-70.7-31.6-166.2-167.768.52.500113.6K351 R357K351-Q353 PolarHBondContact O-N 2.93Å; Q353-R357 VanDerWaalsContact O-CG 3.29Å; Q353-R357 WeakPolarHBondContact O-CG 3.36Å; Q353-R357 PolarHBondContact O-N 3.42Å; Q353-R357 VanDerWaalsContact O-N 3.16Å
354E91.6Very high92.1Very high159 Ų15975.3 Ų75.374%0.74336%0.357SS*.Hα-helixtrans-71.6-51.2-179.2-66.5-172.8171.300110.6Q352 L356 R357 E358Q352-E354 PolarHBondContact O-N 3.41Å; E354-L356 VanDerWaalsContact C-N 3.3Å; E354-L356 PolarHBondContact O-N 3.24Å; E354-R357 WeakPolarHBondContact O-CB 3.23Å; E354-R357 PolarHBondContact O-N 3.47Å; E354-R357 VanDerWaalsContact O-N 3.14Å; E354-E358 PolarHBondContact O-N 2.69Å; E354-E358 VanDerWaalsContact O-N 3.1Å
355E92.9Very high91.9Very high64 Ų6478.8 Ų78.830%0.29937%0.373SS..Hα-helixtrans-63.1-39.1177.8-57.593.3138.100110.8Y347 Q352 R357 E358 Q359Y347-E355 HydrophobicContact CD1-CB 3.94Å; Y347-E355 HydrophobicContact CD2-CB 3.75Å; Y347-E355 HydrophobicContact CE1-CB 3.98Å; Y347-E355 HydrophobicContact CE1-CG 4.39Å; Y347-E355 HydrophobicContact CE2-CB 3.77Å; Y347-E355 HydrophobicContact CG-CB 3.84Å; Q352-E355 WeakPolarHBondContact CB-OE2 3.26Å; Q352-E355 PolarHBondContact NE2-OE1 3.46Å; E355-R357 PolarHBondContact O-N 3.49Å; E355-E358 PolarHBondContact O-N 3.33Å; E355-Q359 WeakPolarHBondContact O-CG 3.34Å; E355-Q359 PolarHBondContact O-N 2.8Å
356L92.5Very high91.7Very high17 Ų1778.2 Ų78.29%0.08937%0.365CS..Hα-helixtrans-56.2-49173175.662.5000111.6E344 R348 Q352 E354 E358 Q359 V360E344-L356 HydrophobicContact CB-CD1 4.23Å; E344-L356 HydrophobicContact CG-CD1 3.43Å; E344-L356 VanDerWaalsContact CG-CD1 3.43Å; E344-L356 WeakPolarHBondContact O-CD1 3.32Å; R348-L356 HydrophobicContact CB-CD1 4.18Å; R348-L356 HydrophobicContact CB-CD2 4.29Å; Q352-L356 WeakPolarHBondContact O-CB 3.4Å; Q352-L356 PolarHBondContact O-N 2.93Å; E354-L356 VanDerWaalsContact C-N 3.3Å; E354-L356 PolarHBondContact O-N 3.24Å; L356-E358 VanDerWaalsContact C-N 3.31Å; L356-E358 PolarHBondContact O-N 3.13Å; L356-Q359 PolarHBondContact O-N 3.47Å; L356-V360 HydrophobicContact CD1-CG2 4.23Å; L356-V360 WeakPolarHBondContact O-CG2 3.05Å; L356-V360 PolarHBondContact O-N 3.05Å
357R92.6Very high91.3Very high163 Ų16380.4 Ų80.462%0.61538%0.378SS*.Hα-helixtrans-60.7-42.3179.6-75.8171.6179.4-179.72111.3Q353 E354 E355 V360 V361Q353-R357 VanDerWaalsContact O-CG 3.29Å; Q353-R357 WeakPolarHBondContact O-CG 3.36Å; Q353-R357 PolarHBondContact O-N 3.42Å; Q353-R357 VanDerWaalsContact O-N 3.16Å; E354-R357 WeakPolarHBondContact O-CB 3.23Å; E354-R357 PolarHBondContact O-N 3.47Å; E354-R357 VanDerWaalsContact O-N 3.14Å; E355-R357 PolarHBondContact O-N 3.49Å; R357-V360 PolarHBondContact O-N 3.46Å; R357-V361 WeakPolarHBondContact O-CG2 3.31Å; R357-V361 PolarHBondContact O-N 3.47Å; R357-V361 VanDerWaalsContact O-N 3.11Å
358E93.2Very high90.9Very high95 Ų9586 Ų8644%0.44441%0.406SS..Hα-helixtrans-61-45.9176.9-167.1-166.2161.800111.6E354 E355 L356 V360 V361 K362E354-E358 PolarHBondContact O-N 2.69Å; E354-E358 VanDerWaalsContact O-N 3.1Å; E355-E358 PolarHBondContact O-N 3.33Å; L356-E358 VanDerWaalsContact C-N 3.31Å; L356-E358 PolarHBondContact O-N 3.13Å; E358-V360 VanDerWaalsContact C-N 3.34Å; E358-V360 PolarHBondContact O-N 2.95Å; E358-V361 PolarHBondContact O-N 3.18Å; E358-K362 PolarHBondContact O-N 3.44Å; E358-K362 VanDerWaalsContact O-N 3.14Å; E358-K362 WeakPolarHBondContact OE1-CE 3.31Å; E358-K362 IonicContact OE1-NZ 2.63Å; E358-K362 PolarHBondContact OE1-NZ 3.44Å
359Q92.3Very high90.7Very high8 Ų884.6 Ų84.64%0.03741%0.405CS..Hα-helixtrans-65.3-37.2178.8-62.1-45.3-60.900112.4H340 R343 E344 Y347 E355 L356 V361 K362 F363H340-Q359 PolarHBondContact ND1-OE1 2.85Å; R343-Q359 HydrophobicContact CB-CG 3.8Å; E344-Q359 HydrophobicContact CB-CB 4.41Å; Y347-Q359 HydrophobicContact CD2-CG 3.65Å; Y347-Q359 HydrophobicContact CE2-CG 3.64Å; E355-Q359 WeakPolarHBondContact O-CG 3.34Å; E355-Q359 PolarHBondContact O-N 2.8Å; L356-Q359 PolarHBondContact O-N 3.47Å; Q359-V361 VanDerWaalsContact C-N 3.35Å; Q359-K362 PolarHBondContact O-N 3.01Å; Q359-F363 VanDerWaalsContact O-CB 3.29Å; Q359-F363 WeakPolarHBondContact O-CB 3.23Å; Q359-F363 PolarHBondContact O-N 3.37Å
360V91.4Very high90.6Very high47 Ų4780.5 Ų80.529%0.28538%0.383SS..Hα-helixtrans-62.6-42.4176.1170.70000111E344 L356 R357 E358 F363 L364E344-V360 HydrophobicContact CG-CG2 3.92Å; L356-V360 HydrophobicContact CD1-CG2 4.23Å; L356-V360 WeakPolarHBondContact O-CG2 3.05Å; L356-V360 PolarHBondContact O-N 3.05Å; R357-V360 PolarHBondContact O-N 3.46Å; E358-V360 VanDerWaalsContact C-N 3.34Å; E358-V360 PolarHBondContact O-N 2.95Å; V360-F363 PolarHBondContact O-N 2.91Å; V360-L364 HydrophobicContact CG1-CD1 4.04Å; V360-L364 HydrophobicContact CG1-CG 4.41Å; V360-L364 VanDerWaalsContact O-CG 3.31Å; V360-L364 WeakPolarHBondContact O-CG 3.48Å; V360-L364 PolarHBondContact O-N 2.96Å
361V94Very high90.2Very high80 Ų8084.3 Ų84.349%0.48540%0.399SS..Hα-helixtrans-60.8-48.8176.4171.80000110.8R357 E358 Q359 F363 L364 Q365R357-V361 WeakPolarHBondContact O-CG2 3.31Å; R357-V361 PolarHBondContact O-N 3.47Å; R357-V361 VanDerWaalsContact O-N 3.11Å; E358-V361 PolarHBondContact O-N 3.18Å; Q359-V361 VanDerWaalsContact C-N 3.35Å; V361-F363 VanDerWaalsContact C-N 3.33Å; V361-F363 PolarHBondContact O-N 3.38Å; V361-L364 PolarHBondContact O-N 3.32Å; V361-Q365 WeakPolarHBondContact O-CG 3.42Å; V361-Q365 PolarHBondContact O-N 3.33Å
362K93.1Very high89.9Confident67 Ų6776.6 Ų76.629%0.29137%0.366SS..Hα-helixtrans-64.1-37.7178.8-65.9-178.2-174.71730112.5H340 E358 Q359 Q365 C366H340-K362 VanDerWaalsContact CE1-CD 3.45Å; H340-K362 WeakPolarHBondContact CE1-CD 2.99Å; E358-K362 PolarHBondContact O-N 3.44Å; E358-K362 VanDerWaalsContact O-N 3.14Å; E358-K362 WeakPolarHBondContact OE1-CE 3.31Å; E358-K362 IonicContact OE1-NZ 2.63Å; E358-K362 PolarHBondContact OE1-NZ 3.44Å; Q359-K362 PolarHBondContact O-N 3.01Å; K362-Q365 PolarHBondContact O-N 3.33Å; K362-C366 PolarHBondContact O-N 3.4Å; K362-C366 PolarHBondContact O-SG 2.88Å
363F90.6Very high89.7Confident44 Ų4479.1 Ų79.119%0.19337%0.374CS..Hα-helixtrans-59.4-50.3173.4175.1-91000110.9L337 H340 Q359 V360 V361 Q365 C366 V367L337-F363 HydrophobicContact CD1-CD2 3.47Å; L337-F363 VanDerWaalsContact CD1-CD2 3.47Å; L337-F363 HydrophobicContact CD1-CE2 3.45Å; L337-F363 VanDerWaalsContact CD1-CE2 3.45Å; L337-F363 HydrophobicContact CD1-CG 4.09Å; L337-F363 HydrophobicContact CD1-CZ 4.05Å; L337-F363 WeakPolarHBondContact CD1-O 3.43Å; L337-F363 HydrophobicContact CD2-CE2 4.5Å; L337-F363 HydrophobicContact CG-CD2 4.08Å; L337-F363 HydrophobicContact CG-CE2 3.85Å; H340-F363 HydrophobicContact CB-CB 4.04Å; Q359-F363 VanDerWaalsContact O-CB 3.29Å; Q359-F363 WeakPolarHBondContact O-CB 3.23Å; Q359-F363 PolarHBondContact O-N 3.37Å; V360-F363 PolarHBondContact O-N 2.91Å; V361-F363 VanDerWaalsContact C-N 3.33Å; V361-F363 PolarHBondContact O-N 3.38Å; F363-Q365 PolarHBondContact O-N 3.17Å; F363-C366 WeakPolarHBondContact O-CB 3.46Å; F363-C366 PolarHBondContact O-N 3.37Å; F363-C366 VanDerWaalsContact O-N 3.16Å; F363-V367 HydrophobicContact CD1-CG2 4.04Å; F363-V367 HydrophobicContact CE1-CG2 3.57Å; F363-V367 HydrophobicContact CE2-CG2 4.41Å; F363-V367 HydrophobicContact CZ-CG2 3.79Å; F363-V367 WeakPolarHBondContact O-CG2 3.42Å; F363-V367 PolarHBondContact O-N 3.25Å
364L88.9Confident89.5Confident99 Ų9974 Ų7452%0.51835%0.35SS..Hα-helixtrans-63.1-40-179.8-69.8173.4000112.4V360 V361 C366 V367 E368V360-L364 HydrophobicContact CG1-CD1 4.04Å; V360-L364 HydrophobicContact CG1-CG 4.41Å; V360-L364 VanDerWaalsContact O-CG 3.31Å; V360-L364 WeakPolarHBondContact O-CG 3.48Å; V360-L364 PolarHBondContact O-N 2.96Å; V361-L364 PolarHBondContact O-N 3.32Å; L364-C366 VanDerWaalsContact C-N 3.34Å; L364-C366 PolarHBondContact O-N 2.9Å; L364-V367 PolarHBondContact O-N 2.89Å; L364-E368 PolarHBondContact O-N 2.94Å
365Q90.4Very high89Confident101 Ų10167.8 Ų67.847%0.47233%0.329SS..Hα-helixtrans-58.1-46.3172.4-73.5172.5-18.400111.4V361 K362 F363 V367 E368 E369V361-Q365 WeakPolarHBondContact O-CG 3.42Å; V361-Q365 PolarHBondContact O-N 3.33Å; K362-Q365 PolarHBondContact O-N 3.33Å; F363-Q365 PolarHBondContact O-N 3.17Å; Q365-V367 VanDerWaalsContact C-N 3.34Å; Q365-V367 PolarHBondContact O-N 3.01Å; Q365-E368 PolarHBondContact O-N 2.94Å; Q365-E369 WeakPolarHBondContact O-CB 3.06Å; Q365-E369 WeakPolarHBondContact O-CG 3.49Å; Q365-E369 PolarHBondContact O-N 2.82Å
366C89.9Confident88.6Confident14 Ų1466.7 Ų66.710%0.09532%0.324CS..Hα-helixtrans-62.6-40.2175.9-66.60000112L337 K362 F363 L364 E369 L370L337-C366 HydrophobicContact CB-CB 3.88Å; L337-C366 HydrophobicContact CD1-CB 3.54Å; L337-C366 HydrophobicContact CG-CB 4.34Å; K362-C366 PolarHBondContact O-N 3.4Å; K362-C366 PolarHBondContact O-SG 2.88Å; F363-C366 WeakPolarHBondContact O-CB 3.46Å; F363-C366 PolarHBondContact O-N 3.37Å; F363-C366 VanDerWaalsContact O-N 3.16Å; L364-C366 VanDerWaalsContact C-N 3.34Å; L364-C366 PolarHBondContact O-N 2.9Å; C366-E369 PolarHBondContact O-N 3.32Å; C366-L370 WeakPolarHBondContact O-CG 3.43Å; C366-L370 PolarHBondContact O-N 3.48Å; C366-L370 VanDerWaalsContact O-N 3.08Å
367V86.4Confident88.3Confident45 Ų4568.4 Ų68.427%0.27334%0.337SS..Hα-helixtrans-60.9-46.8176.8172.90000110.9L337 F363 L364 Q365 E369 L370L337-V367 HydrophobicContact CD1-CG2 3.5Å; F363-V367 HydrophobicContact CD1-CG2 4.04Å; F363-V367 HydrophobicContact CE1-CG2 3.57Å; F363-V367 HydrophobicContact CE2-CG2 4.41Å; F363-V367 HydrophobicContact CZ-CG2 3.79Å; F363-V367 WeakPolarHBondContact O-CG2 3.42Å; F363-V367 PolarHBondContact O-N 3.25Å; L364-V367 PolarHBondContact O-N 2.89Å; Q365-V367 VanDerWaalsContact C-N 3.34Å; Q365-V367 PolarHBondContact O-N 3.01Å; V367-E369 PolarHBondContact O-N 3.31Å; V367-L370 PolarHBondContact O-N 3.01Å
368E86.6Confident88Confident153 Ų15363.4 Ų63.472%0.71534%0.336SS*.Hα-helixtrans-59.3-48177.9-174.8175.1-171.900110.8L364 Q365 L370 E371L364-E368 PolarHBondContact O-N 2.94Å; Q365-E368 PolarHBondContact O-N 2.94Å; E368-L370 VanDerWaalsContact C-N 3.26Å; E368-L370 PolarHBondContact O-N 3.45Å; E368-E371 VanDerWaalsContact O-CG 3.3Å; E368-E371 WeakPolarHBondContact O-CG 3.31Å; E368-E371 PolarHBondContact O-N 3.19Å
369E88Confident87.7Confident104 Ų10463.1 Ų63.149%0.48634%0.335SS..Hα-helixtrans-65.2-22.2180-79.4-168.8-15200115.5K333 Q365 C366 V367 E371K333-E369 HydrophobicContact CD-CB 4.14Å; K333-E369 WeakPolarHBondContact CD-OE2 3.41Å; K333-E369 VanDerWaalsContact CE-OE2 3.22Å; K333-E369 WeakPolarHBondContact CE-OE2 3.47Å; K333-E369 IonicContact NZ-OE2 3.76Å; K333-E369 PolarHBondContact NZ-OE2 3.32Å; Q365-E369 WeakPolarHBondContact O-CB 3.06Å; Q365-E369 WeakPolarHBondContact O-CG 3.49Å; Q365-E369 PolarHBondContact O-N 2.82Å; C366-E369 PolarHBondContact O-N 3.32Å; V367-E369 PolarHBondContact O-N 3.31Å; E369-E371 VanDerWaalsContact C-N 3.3Å
370L87.4Confident87.3Confident16 Ų1664.3 Ų64.38%0.08434%0.344CS..Hα-helixtrans-79.1-18175.2-72.2175000112F150 K333 L334 L337 C366 V367 E368 L372F150-L370 HydrophobicContact CE2-CD2 4.01Å; K333-L370 HydrophobicContact CB-CD2 3.78Å; K333-L370 HydrophobicContact CB-CG 4.47Å; L334-L370 HydrophobicContact CD1-CD1 4.21Å; L337-L370 HydrophobicContact CB-CD1 4.48Å; L337-L370 HydrophobicContact CD2-CD1 3.74Å; C366-L370 WeakPolarHBondContact O-CG 3.43Å; C366-L370 PolarHBondContact O-N 3.48Å; C366-L370 VanDerWaalsContact O-N 3.08Å; V367-L370 PolarHBondContact O-N 3.01Å; E368-L370 VanDerWaalsContact C-N 3.26Å; E368-L370 PolarHBondContact O-N 3.45Å; L370-L372 HydrophobicContact CB-CG 4.38Å; L370-L372 PolarHBondContact O-N 3.34Å
371E82.8Confident87.1Confident138 Ų13862.3 Ų62.365%0.64533%0.331SS*.THydrogen-bonded Turntrans48.428.8177.4-62.5-176.516800113.9E368 E369 Y373E368-E371 VanDerWaalsContact O-CG 3.3Å; E368-E371 WeakPolarHBondContact O-CG 3.31Å; E368-E371 PolarHBondContact O-N 3.19Å; E369-E371 VanDerWaalsContact C-N 3.3Å; E371-Y373 HydrophobicContact CB-CE1 4.13Å; E371-Y373 VanDerWaalsContact O-CD1 3.26Å; E371-Y373 WeakPolarHBondContact O-CD1 3.49Å; E371-Y373 WeakPolarHBondContact O-CE1 3.49Å; E371-Y373 PolarHBondContact O-N 2.99Å; E371-Y373 VanDerWaalsContact O-N 3.09Å
372L82.5Confident86.5Confident27 Ų2759 Ų5914%0.14131%0.314CS..  trans-8778.8-177.7-77.9-172.8000110.5F150 L187 L370 S380 I381F150-L372 HydrophobicContact CB-CD2 3.96Å; F150-L372 HydrophobicContact CD2-CD1 3.5Å; F150-L372 HydrophobicContact CD2-CD2 3.64Å; F150-L372 HydrophobicContact CD2-CG 3.69Å; F150-L372 HydrophobicContact CE2-CD1 3.47Å; F150-L372 VanDerWaalsContact CE2-CD1 3.47Å; F150-L372 HydrophobicContact CE2-CD2 4.47Å; F150-L372 HydrophobicContact CE2-CG 4.1Å; F150-L372 HydrophobicContact CG-CD1 4.36Å; F150-L372 HydrophobicContact CG-CD2 4.07Å; F150-L372 HydrophobicContact CZ-CD1 4.32Å; L187-L372 HydrophobicContact CD2-CD1 3.82Å; L187-L372 HydrophobicContact CD2-CD2 3.84Å; L370-L372 HydrophobicContact CB-CG 4.38Å; L370-L372 PolarHBondContact O-N 3.34Å; L372-S380 CarbonylContact O-C 3.51Å; L372-S380 VanDerWaalsContact O-CA 3.29Å; L372-S380 WeakPolarHBondContact O-CA 3.16Å; L372-I381 HydrophobicContact CB-CB 4.22Å; L372-I381 PolarHBondContact O-N 3.42Å
373Y86.6Confident85.8Confident114 Ų11460.4 Ų60.445%0.44733%0.325SS..BIsolated β-bridgetrans-129.5141.3173.757.9-83.9000111.7E371 G375 E379 K412E371-Y373 HydrophobicContact CB-CE1 4.13Å; E371-Y373 VanDerWaalsContact O-CD1 3.26Å; E371-Y373 WeakPolarHBondContact O-CD1 3.49Å; E371-Y373 WeakPolarHBondContact O-CE1 3.49Å; E371-Y373 PolarHBondContact O-N 2.99Å; E371-Y373 VanDerWaalsContact O-N 3.09Å; Y373-G375 PolarHBondContact O-N 2.91Å; Y373-E379 WeakPolarHBondContact CA-O 3.38Å; Y373-K412 VanDerWaalsContact CE2-NZ 3.29Å; Y373-K412 PolarHBondContact O-NZ 3.21Å
374C85.1Confident85.5Confident0 Ų067.4 Ų67.40%035%0.35CS..  trans-69.7114.5172.8179.60000109.1M376 C377 G378 E379 I381 H398C374-M376 PolarHBondContact O-N 3.2Å; C374-C377 VanDerWaalsContact CB-SG 3.57Å; C374-C377 PolarHBondContact O-N 3.18Å; C374-G378 WeakPolarHBondContact O-CA 3.41Å; C374-G378 PolarHBondContact O-N 2.7Å; C374-E379 PolarHBondContact N-O 3.03Å; C374-I381 HydrophobicContact CB-CD1 4.33Å; C374-I381 HydrophobicContact CB-CG1 4.27Å; C374-H398 WeakPolarHBondContact CB-ND1 3.45Å; C374-H398 PolarHBondContact SG-N 3.39Å
375G80.9Confident85.4Confident28 Ų2867.1 Ų67.129%0.28935%0.349SS..THydrogen-bonded Turntrans-698.2-178.400000115.6Y373Y373-G375 PolarHBondContact O-N 2.91Å
376M85.4Confident85.3Confident41 Ų4164.4 Ų64.420%0.20234%0.336CS..THydrogen-bonded Turntrans-111.2-45.3175.7-70.2-172.7-165.900112.9C374 F397 C401 L402 N405 P411C374-M376 PolarHBondContact O-N 3.2Å; M376-F397 HydrophobicContact CB-CD1 4.45Å; M376-F397 HydrophobicContact CE-CD1 3.96Å; M376-F397 HydrophobicContact CE-CE1 4.2Å; M376-F397 HydrophobicContact CE-CG 4.28Å; M376-F397 HydrophobicContact CG-CD1 3.78Å; M376-F397 HydrophobicContact CG-CE1 4.03Å; M376-F397 HydrophobicContact SD-CD1 4.34Å; M376-C401 HydrophobicContact CB-CB 3.77Å; M376-C401 HydrophobicContact CG-CB 4.35Å; M376-C401 VanDerWaalsContact SD-C 3.55Å; M376-C401 HydrophobicContact SD-CB 3.75Å; M376-C401 VanDerWaalsContact SD-O 3.4Å; M376-L402 HydrophobicContact CE-CD2 3.32Å; M376-L402 HydrophobicContact CE-CG 3.88Å; M376-L402 HydrophobicContact SD-CD2 4.4Å; M376-L402 HydrophobicContact SD-CG 4.41Å; M376-N405 HydrophobicContact SD-CB 4.27Å; M376-P411 HydrophobicContact CE-CG 3.98Å; M376-P411 HydrophobicContact CG-CG 3.92Å
377C87.3Confident85.3Confident53 Ų5368.5 Ų68.536%0.35835%0.352SS..THydrogen-bonded Turntrans-105.2-7.6-179.364.20000113.6C374 E379 H398C374-C377 VanDerWaalsContact CB-SG 3.57Å; C374-C377 PolarHBondContact O-N 3.18Å; C377-E379 HydrophobicContact CB-CG 4.42Å; C377-E379 PolarHBondContact O-N 3.1Å; C377-E379 VanDerWaalsContact O-N 3.12Å; C377-H398 PolarHBondContact SG-ND1 3.35Å
378G84.7Confident85.5Confident58 Ų5866.4 Ų66.460%0.59834%0.34SS*.  trans73.4-8.1-177.400000115C374C374-G378 WeakPolarHBondContact O-CA 3.41Å; C374-G378 PolarHBondContact O-N 2.7Å
379E86.6Confident85.6Confident88 Ų8860.1 Ų60.141%0.41131%0.31SS..PPolyproline II helixtrans-67144.6177.9-63.7179160.100111.6Y373 C374 C377 H398 K400Y373-E379 WeakPolarHBondContact CA-O 3.38Å; C374-E379 PolarHBondContact N-O 3.03Å; C377-E379 HydrophobicContact CB-CG 4.42Å; C377-E379 PolarHBondContact O-N 3.1Å; C377-E379 VanDerWaalsContact O-N 3.12Å; E379-H398 IonicContact OE2-CE1 3.02Å; E379-H398 IonicContact OE2-ND1 3.66Å; E379-K400 IonicContact OE1-NZ 2.77Å; E379-K400 IonicContact OE2-NZ 2.77Å; E379-K400 PolarHBondContact OE2-NZ 2.76Å
380S85.3Confident85.4Confident33 Ų3355.2 Ų55.223%0.23129%0.287CS..BIsolated β-bridgetrans-62.5139.3174177.20000111.6L372 D383L372-S380 CarbonylContact O-C 3.51Å; L372-S380 VanDerWaalsContact O-CA 3.29Å; L372-S380 WeakPolarHBondContact O-CA 3.16Å; S380-D383 WeakPolarHBondContact CB-OD2 3.45Å; S380-D383 VanDerWaalsContact OG-CG 3.26Å; S380-D383 PolarHBondContact OG-OD1 3.24Å; S380-D383 PolarHBondContact OG-OD2 3.29Å
381I86.3Confident85.3Confident5 Ų554.4 Ų54.43%0.02628%0.283CS..SBendtrans-93.9135.8174.7-68.8171.1000108.6L187 L372 C374 L388 I396L187-I381 HydrophobicContact CD2-CG2 4.11Å; L372-I381 HydrophobicContact CB-CB 4.22Å; L372-I381 PolarHBondContact O-N 3.42Å; C374-I381 HydrophobicContact CB-CD1 4.33Å; C374-I381 HydrophobicContact CB-CG1 4.27Å; I381-L388 HydrophobicContact CG1-CD2 4.22Å; I381-L388 HydrophobicContact CG2-CD1 3.52Å; I381-L388 HydrophobicContact CG2-CD2 3.81Å; I381-L388 HydrophobicContact CG2-CG 4.33Å; I381-I396 HydrophobicContact CD1-CB 3.94Å; I381-I396 HydrophobicContact CD1-CG2 3.89Å; I381-I396 WeakPolarHBondContact CD1-O 3.44Å
382G80.8Confident85.2Confident12 Ų1250.1 Ų50.112%0.12427%0.267CS..SBendtrans84.111.2177.900000113.9L187 K188L187-G382 WeakPolarHBondContact O-CA 3.48Å; K188-G382 WeakPolarHBondContact CD-O 3.41Å; K188-G382 WeakPolarHBondContact CE-O 3.16Å; K188-G382 PolarHBondContact NZ-O 2.8Å
383D79.3Confident85.3Confident95 Ų9549.6 Ų49.651%0.50827%0.266SS..SBendtrans-78.8-42.4168.4-79.9-1.7000111.6K188 S380K188-D383 VanDerWaalsContact NZ-C 3.33Å; K188-D383 PolarHBondContact NZ-O 3.04Å; S380-D383 WeakPolarHBondContact CB-OD2 3.45Å; S380-D383 VanDerWaalsContact OG-CG 3.26Å; S380-D383 PolarHBondContact OG-OD1 3.24Å; S380-D383 PolarHBondContact OG-OD2 3.29Å
384R83.8Confident85.2Confident192 Ų19244.3 Ų44.373%0.72525%0.245SC*.SBendtrans-125.7161.7-179.4-60.4-178.3-175.1-176.51.7110.3Q386R384-Q386 HydrophobicContact CB-CG 4.19Å; R384-Q386 PolarHBondContact O-N 3.44Å
385D88.3Confident85.3Confident93 Ų9345.4 Ų45.450%0.49725%0.25SS..  trans-65.6114.2168.3-177.31.6000109.1K188 Y190K188-D385 WeakPolarHBondContact O-CA 3.29Å; K188-D385 VanDerWaalsContact O-OD1 3.13Å; Y190-D385 HydrophobicContact CD2-CB 4.24Å; Y190-D385 HydrophobicContact CE2-CB 4.14Å
386Q87.8Confident85.6Confident43 Ų4344.6 Ų44.620%0.20124%0.239CC..  trans-147.9141.7-174.6-68175.9-49.200109.3R384 L388 H398R384-Q386 HydrophobicContact CB-CG 4.19Å; R384-Q386 PolarHBondContact O-N 3.44Å; Q386-L388 PolarHBondContact O-N 2.96Å; Q386-H398 PolarHBondContact OE1-NE2 3.46Å
387K90.4Very high85.8Confident101 Ų10142.6 Ų42.644%0.43923%0.229SC..  trans-71.2123.6172.7-57-165.8-172.6-148.40109.6E191 L399E191-K387 WeakPolarHBondContact OE1-CE 3.39Å; E191-K387 IonicContact OE1-NZ 3.11Å; E191-K387 PolarHBondContact OE1-NZ 2.92Å; E191-K387 WeakPolarHBondContact OE2-CE 3.43Å; E191-K387 IonicContact OE2-NZ 3.93Å; E191-K387 PolarHBondContact OE2-NZ 3.32Å; K387-L399 HydrophobicContact CB-CB 3.88Å; K387-L399 HydrophobicContact CB-CD2 3.86Å; K387-L399 HydrophobicContact CD-CD2 4.1Å; K387-L399 WeakPolarHBondContact O-CB 3.31Å; K387-L399 PolarHBondContact O-N 3.13Å
388L90.4Very high86Confident1 Ų140.2 Ų40.21%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-111.1153.8-179-60.1175.9000110.3L187 D189 K192 I381 Q386 I396 F397L187-L388 HydrophobicContact CB-CD1 3.68Å; L187-L388 HydrophobicContact CD1-CD1 4.45Å; D189-L388 HydrophobicContact CB-CB 4.33Å; D189-L388 HydrophobicContact CB-CD1 4.11Å; D189-L388 HydrophobicContact CB-CG 4.16Å; D189-L388 PolarHBondContact OD2-N 3.39Å; K192-L388 VanDerWaalsContact CE-O 3.31Å; K192-L388 WeakPolarHBondContact CE-O 3.35Å; K192-L388 PolarHBondContact NZ-O 3.32Å; I381-L388 HydrophobicContact CG1-CD2 4.22Å; I381-L388 HydrophobicContact CG2-CD1 3.52Å; I381-L388 HydrophobicContact CG2-CD2 3.81Å; I381-L388 HydrophobicContact CG2-CG 4.33Å; Q386-L388 PolarHBondContact O-N 2.96Å; L388-I396 HydrophobicContact CB-CG2 3.91Å; L388-I396 HydrophobicContact CD1-CG2 4.13Å; L388-I396 HydrophobicContact CD2-CG2 4.31Å; L388-I396 HydrophobicContact CG-CG2 4.34Å; L388-F397 CarbonylContact C-O 3.52Å; L388-F397 WeakPolarHBondContact CA-O 3.39Å
389Q87.3Confident86.1Confident21 Ų2139.7 Ų39.710%0.09820%0.196CC..EExtended strand (participates in β ladder)trans-136.6127.1172.3-175.357.449.800109.8I396 F397 L399 L402 P420 G421Q389-I396 WeakPolarHBondContact O-CA 3.3Å; Q389-F397 PolarHBondContact N-O 3.25Å; Q389-F397 PolarHBondContact O-N 3.39Å; Q389-L399 HydrophobicContact CB-CD1 4.16Å; Q389-L402 HydrophobicContact CB-CD1 3.54Å; Q389-L402 HydrophobicContact CG-CD1 3.8Å; Q389-P420 HydrophobicContact CG-CB 4.49Å; Q389-G421 PolarHBondContact NE2-O 3.06Å
390A85Confident86.3Confident0 Ų040.3 Ų40.30%020%0.197CC..EExtended strand (participates in β ladder)trans-87.9135.8168.700000109L154 H395 G421L154-A390 HydrophobicContact CD1-CB 4.19Å; A390-H395 WeakPolarHBondContact CA-O 3.47Å; A390-G421 PolarHBondContact O-N 3.12Å
391L84.6Confident86.5Confident0 Ų039.3 Ų39.30%019%0.19CC..  trans-83.2172.4170.7-61.7-170.9000110.5C393 S394 H395 F397 L402 C410 I418L391-C393 PolarHBondContact O-N 3.14Å; L391-S394 VanDerWaalsContact O-CA 3.32Å; L391-S394 WeakPolarHBondContact O-CA 3.49Å; L391-S394 PolarHBondContact O-N 2.69Å; L391-H395 PolarHBondContact N-O 3.12Å; L391-F397 HydrophobicContact CD1-CD2 3.95Å; L391-F397 HydrophobicContact CD1-CE2 3.52Å; L391-F397 HydrophobicContact CD1-CZ 4.36Å; L391-F397 HydrophobicContact CG-CD2 3.88Å; L391-F397 HydrophobicContact CG-CE2 3.82Å; L391-L402 HydrophobicContact CD1-CD2 4.39Å; L391-L402 HydrophobicContact CD2-CD1 4.15Å; L391-L402 HydrophobicContact CD2-CD2 3.9Å; L391-C410 HydrophobicContact CD1-CB 3.71Å; L391-I418 HydrophobicContact CD2-CB 4.44Å; L391-I418 HydrophobicContact CD2-CG2 3.8Å
392P81.4Confident86.4Confident48 Ų4840 Ų4031%0.31219%0.194SC..THydrogen-bonded Turntrans-65.8-8.3177.9-21.235.8000114S394 K419P392-S394 VanDerWaalsContact C-N 3.31Å; P392-K419 WeakPolarHBondContact CD-O 3.11Å; P392-K419 WeakPolarHBondContact CG-O 3.5Å
393C83.6Confident86.6Confident16 Ų1646.3 Ų46.311%0.10822%0.22CC..THydrogen-bonded Turntrans-9410.3169.960.30000112.6L391 H395 C410 C413 K415L391-C393 PolarHBondContact O-N 3.14Å; C393-H395 PolarHBondContact O-N 3.45Å; C393-H395 PolarHBondContact O-ND1 2.87Å; C393-H395 PolarHBondContact SG-ND1 3.19Å; C393-C410 VanDerWaalsContact SG-CB 3.6Å; C393-C413 VanDerWaalsContact SG-SG 3.65Å; C393-K415 HydrophobicContact CB-CD 3.93Å
394S85Confident86.9Confident2 Ų247.3 Ų47.31%0.01423%0.23CC..  trans606.5179.6-34.80000115.8E155 E158 L391 P392E155-S394 VanDerWaalsContact CA-OG 3.26Å; E155-S394 WeakPolarHBondContact CA-OG 3.48Å; E158-S394 PolarHBondContact OE2-OG 3.42Å; L391-S394 VanDerWaalsContact O-CA 3.32Å; L391-S394 WeakPolarHBondContact O-CA 3.49Å; L391-S394 PolarHBondContact O-N 2.69Å; P392-S394 VanDerWaalsContact C-N 3.31Å
395H87.3Confident86.5Confident23 Ų2342.1 Ų42.111%0.10622%0.216CC..  trans-68.6135.1168-69.8102.9000110.8Q151 A390 L391 C393 F397Q151-H395 PolarHBondContact NE2-CD2 3.32Å; Q151-H395 PolarHBondContact NE2-CE1 2.71Å; Q151-H395 VanDerWaalsContact NE2-CE1 3.29Å; Q151-H395 PolarHBondContact NE2-NE2 2.75Å; Q151-H395 PolarHBondContact OE1-CD2 2.63Å; A390-H395 WeakPolarHBondContact CA-O 3.47Å; L391-H395 PolarHBondContact N-O 3.12Å; C393-H395 PolarHBondContact O-N 3.45Å; C393-H395 PolarHBondContact O-ND1 2.87Å; C393-H395 PolarHBondContact SG-ND1 3.19Å; H395-F397 HydrophobicContact CB-CE2 3.6Å; H395-F397 HydrophobicContact CB-CZ 4.04Å
396I88.1Confident85.4Confident11 Ų1141.1 Ų41.16%0.05623%0.229CC..EExtended strand (participates in β ladder)trans-99.5137.9-175.8-45.7171.2000109.8L154 L187 I381 L388 Q389L154-I396 HydrophobicContact CD1-CD1 3.41Å; L154-I396 VanDerWaalsContact CD1-CD1 3.41Å; L154-I396 HydrophobicContact CD1-CG1 3.45Å; L154-I396 VanDerWaalsContact CD1-CG1 3.45Å; L187-I396 HydrophobicContact CD1-CD1 3.72Å; L187-I396 HydrophobicContact CD2-CD1 4.19Å; I381-I396 HydrophobicContact CD1-CB 3.94Å; I381-I396 HydrophobicContact CD1-CG2 3.89Å; I381-I396 WeakPolarHBondContact CD1-O 3.44Å; L388-I396 HydrophobicContact CB-CG2 3.91Å; L388-I396 HydrophobicContact CD1-CG2 4.13Å; L388-I396 HydrophobicContact CD2-CG2 4.31Å; L388-I396 HydrophobicContact CG-CG2 4.34Å; Q389-I396 WeakPolarHBondContact O-CA 3.3Å
397F88.8Confident84.1Confident0 Ų042.1 Ų42.10%024%0.238CC..EExtended strand (participates in β ladder)trans-136157.6175.7-60.4-89.9000110.3M376 L388 Q389 L391 H395 L399 L402 P411 K412M376-F397 HydrophobicContact CB-CD1 4.45Å; M376-F397 HydrophobicContact CE-CD1 3.96Å; M376-F397 HydrophobicContact CE-CE1 4.2Å; M376-F397 HydrophobicContact CE-CG 4.28Å; M376-F397 HydrophobicContact CG-CD1 3.78Å; M376-F397 HydrophobicContact CG-CE1 4.03Å; M376-F397 HydrophobicContact SD-CD1 4.34Å; L388-F397 CarbonylContact C-O 3.52Å; L388-F397 WeakPolarHBondContact CA-O 3.39Å; Q389-F397 PolarHBondContact N-O 3.25Å; Q389-F397 PolarHBondContact O-N 3.39Å; L391-F397 HydrophobicContact CD1-CD2 3.95Å; L391-F397 HydrophobicContact CD1-CE2 3.52Å; L391-F397 HydrophobicContact CD1-CZ 4.36Å; L391-F397 HydrophobicContact CG-CD2 3.88Å; L391-F397 HydrophobicContact CG-CE2 3.82Å; H395-F397 HydrophobicContact CB-CE2 3.6Å; H395-F397 HydrophobicContact CB-CZ 4.04Å; F397-L399 PolarHBondContact O-N 3.32Å; F397-L402 HydrophobicContact CB-CD1 3.82Å; F397-L402 HydrophobicContact CB-CG 4.02Å; F397-L402 HydrophobicContact CG-CD1 4.49Å; F397-P411 HydrophobicContact CE1-CG 3.61Å; F397-P411 HydrophobicContact CZ-CG 3.84Å; F397-K412 HydrophobicContact CZ-CG 4.31Å
398H90.6Very high82.9Confident2 Ų247 Ų471%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-62.4133.2163-62.2128.4000109.8C374 C377 E379 Q386 K400 C401 L402C374-H398 WeakPolarHBondContact CB-ND1 3.45Å; C374-H398 PolarHBondContact SG-N 3.39Å; C377-H398 PolarHBondContact SG-ND1 3.35Å; E379-H398 IonicContact OE2-CE1 3.02Å; E379-H398 IonicContact OE2-ND1 3.66Å; Q386-H398 PolarHBondContact OE1-NE2 3.46Å; H398-K400 HydrophobicContact CB-CG 3.9Å; H398-K400 PolarHBondContact O-N 3.26Å; H398-C401 HydrophobicContact CB-CB 4.36Å; H398-C401 WeakPolarHBondContact O-CB 3.38Å; H398-C401 PolarHBondContact O-N 3.37Å; H398-L402 PolarHBondContact O-N 3.31Å
399L88.5Confident82.1Confident47 Ų4747.8 Ų47.825%0.24627%0.268CS..Hα-helixtrans-56.8-41.1179.4-179.163000111.4K387 Q389 F397 C401 L402 Q403K387-L399 HydrophobicContact CB-CB 3.88Å; K387-L399 HydrophobicContact CB-CD2 3.86Å; K387-L399 HydrophobicContact CD-CD2 4.1Å; K387-L399 WeakPolarHBondContact O-CB 3.31Å; K387-L399 PolarHBondContact O-N 3.13Å; Q389-L399 HydrophobicContact CB-CD1 4.16Å; F397-L399 PolarHBondContact O-N 3.32Å; L399-C401 VanDerWaalsContact C-N 3.29Å; L399-C401 PolarHBondContact O-N 3Å; L399-L402 PolarHBondContact O-N 3.05Å; L399-Q403 WeakPolarHBondContact O-CG 3.47Å; L399-Q403 PolarHBondContact O-N 3.23Å; L399-Q403 VanDerWaalsContact O-N 3.14Å
400K89.9Confident81.9Confident101 Ų10146.9 Ų46.944%0.43926%0.263SS..Hα-helixtrans-53.9-43.2175.462.5175.9-178.4174.20112.3E379 H398 L402 Q403 T404E379-K400 IonicContact OE1-NZ 2.77Å; E379-K400 IonicContact OE2-NZ 2.77Å; E379-K400 PolarHBondContact OE2-NZ 2.76Å; H398-K400 HydrophobicContact CB-CG 3.9Å; H398-K400 PolarHBondContact O-N 3.26Å; K400-L402 VanDerWaalsContact C-N 3.34Å; K400-L402 PolarHBondContact O-N 3.34Å; K400-Q403 PolarHBondContact O-N 3.19Å; K400-T404 PolarHBondContact O-N 2.82Å; K400-T404 PolarHBondContact O-OG1 2.53Å
401C88.6Confident81.7Confident12 Ų1249 Ų498%0.08128%0.278CS..Hα-helixtrans-68.4-37-175.5-64.60000111.8M376 H398 L399 N405M376-C401 HydrophobicContact CB-CB 3.77Å; M376-C401 HydrophobicContact CG-CB 4.35Å; M376-C401 VanDerWaalsContact SD-C 3.55Å; M376-C401 HydrophobicContact SD-CB 3.75Å; M376-C401 VanDerWaalsContact SD-O 3.4Å; H398-C401 HydrophobicContact CB-CB 4.36Å; H398-C401 WeakPolarHBondContact O-CB 3.38Å; H398-C401 PolarHBondContact O-N 3.37Å; L399-C401 VanDerWaalsContact C-N 3.29Å; L399-C401 PolarHBondContact O-N 3Å; C401-N405 WeakPolarHBondContact O-CB 3.49Å; C401-N405 PolarHBondContact O-N 3.23Å; C401-N405 PolarHBondContact O-ND2 3.35Å
402L84.6Confident81.5Confident21 Ų2151.9 Ų51.911%0.1129%0.29CS..Hα-helixtrans-66.8-38.9175.3-77.6161.8000112.1M376 Q389 L391 F397 H398 L399 K400 I418M376-L402 HydrophobicContact CE-CD2 3.32Å; M376-L402 HydrophobicContact CE-CG 3.88Å; M376-L402 HydrophobicContact SD-CD2 4.4Å; M376-L402 HydrophobicContact SD-CG 4.41Å; Q389-L402 HydrophobicContact CB-CD1 3.54Å; Q389-L402 HydrophobicContact CG-CD1 3.8Å; L391-L402 HydrophobicContact CD1-CD2 4.39Å; L391-L402 HydrophobicContact CD2-CD1 4.15Å; L391-L402 HydrophobicContact CD2-CD2 3.9Å; F397-L402 HydrophobicContact CB-CD1 3.82Å; F397-L402 HydrophobicContact CB-CG 4.02Å; F397-L402 HydrophobicContact CG-CD1 4.49Å; H398-L402 PolarHBondContact O-N 3.31Å; L399-L402 PolarHBondContact O-N 3.05Å; K400-L402 VanDerWaalsContact C-N 3.34Å; K400-L402 PolarHBondContact O-N 3.34Å; L402-I418 HydrophobicContact CD2-CG2 3.57Å
403Q86Confident81.6Confident144 Ų14451.6 Ų51.667%0.67329%0.289SS*.Hα-helixtrans-68.3-37.7178.3-69.9172.5-2800112.2L399 K400L399-Q403 WeakPolarHBondContact O-CG 3.47Å; L399-Q403 PolarHBondContact O-N 3.23Å; L399-Q403 VanDerWaalsContact O-N 3.14Å; K400-Q403 PolarHBondContact O-N 3.19Å
404T85.3Confident81.5Confident116 Ų11659.4 Ų59.471%0.71232%0.321SS*.Hα-helixtrans-76.6-36.4-178.1-51.60000113.6K400K400-T404 PolarHBondContact O-N 2.82Å; K400-T404 PolarHBondContact O-OG1 2.53Å
405N74.1Confident81Confident82 Ų8265.9 Ų65.944%0.43935%0.349SS..Hα-helixtrans-88.4-7-165.7-78.5-26.6000116M376 C401 T407M376-N405 HydrophobicContact SD-CB 4.27Å; C401-N405 WeakPolarHBondContact O-CB 3.49Å; C401-N405 PolarHBondContact O-N 3.23Å; C401-N405 PolarHBondContact O-ND2 3.35Å; N405-T407 HydrophobicContact CB-CG2 4.17Å; N405-T407 WeakPolarHBondContact O-CG2 3.34Å; N405-T407 PolarHBondContact O-N 3.25Å
406G66.1Low79.7Confident73 Ų7370 Ų7075%0.75338%0.38SS*.  trans52.822.1172.100000116
407T61.3Low78.5Confident64 Ų6471.9 Ų71.939%0.39340%0.395SS..  trans-75.5157.7-168.442.30000112.6N405 I418N405-T407 HydrophobicContact CB-CG2 4.17Å; N405-T407 WeakPolarHBondContact O-CG2 3.34Å; N405-T407 PolarHBondContact O-N 3.25Å; T407-I418 VanDerWaalsContact C-CD1 3.43Å; T407-I418 WeakPolarHBondContact O-CD1 2.84Å; T407-I418 WeakPolarHBondContact OG1-CD1 3.37Å
408K65.3Low77.1Confident202 Ų20273.8 Ų73.888%0.87840%0.404SS*.SBendtrans-94.5-7-179.4-66.1-176179.51790114.4S417K408-S417 PolarHBondContact O-N 3.05Å
409G72.3Confident75.7Confident19 Ų1981.3 Ų81.320%0.19644%0.437CS..BIsolated β-bridgetrans-163.5172.2-178.200000113.7K415 I418G409-K415 VanDerWaalsContact CA-O 3.31Å; G409-K415 WeakPolarHBondContact CA-O 3.49Å; G409-I418 WeakPolarHBondContact O-CD1 3.44Å
410C83.1Confident74.2Confident1 Ų182.8 Ų82.81%0.00745%0.45CS..  trans-67.2124.1-180177.40000111.3L391 C393 K412 C413 F414 K415L391-C410 HydrophobicContact CD1-CB 3.71Å; C393-C410 VanDerWaalsContact SG-CB 3.6Å; C410-K412 VanDerWaalsContact C-N 3.28Å; C410-K412 PolarHBondContact O-N 3.39Å; C410-K412 PolarHBondContact SG-N 3.33Å; C410-C413 PolarHBondContact O-N 3.43Å; C410-F414 VanDerWaalsContact O-CA 3.23Å; C410-F414 WeakPolarHBondContact O-CA 3.34Å; C410-F414 PolarHBondContact O-N 3.09Å; C410-K415 PolarHBondContact N-O 3.06Å; C410-K415 VanDerWaalsContact N-O 3.13Å
411P80.9Confident72.8Confident46 Ų4678.2 Ų78.230%0.29943%0.431SS..THydrogen-bonded Turntrans-69.5-22.7-179.128.1-35.8000113.6M376 F397M376-P411 HydrophobicContact CE-CG 3.98Å; M376-P411 HydrophobicContact CG-CG 3.92Å; F397-P411 HydrophobicContact CE1-CG 3.61Å; F397-P411 HydrophobicContact CZ-CG 3.84Å
412K80Confident71.5Confident60 Ų6079.5 Ų79.526%0.26144%0.435SS..THydrogen-bonded Turntrans-78.2-33.5178.5-74.6-167.3176.2-171.20113.3Y373 F397 C410Y373-K412 VanDerWaalsContact CE2-NZ 3.29Å; Y373-K412 PolarHBondContact O-NZ 3.21Å; F397-K412 HydrophobicContact CZ-CG 4.31Å; C410-K412 VanDerWaalsContact C-N 3.28Å; C410-K412 PolarHBondContact O-N 3.39Å; C410-K412 PolarHBondContact SG-N 3.33Å
413C85Confident69.4Low42 Ų4285.5 Ų85.528%0.28447%0.472SS..THydrogen-bonded Turntrans-1346.8-17275.90000115.1C393 C410 K415C393-C413 VanDerWaalsContact SG-SG 3.65Å; C410-C413 PolarHBondContact O-N 3.43Å; C413-K415 PolarHBondContact O-N 2.71Å
414F80.1Confident68.6Low180 Ų18082.6 Ų82.679%0.78946%0.462SS*.  trans53.814.5176.5-52.1-76000116.2C410 S416C410-F414 VanDerWaalsContact O-CA 3.23Å; C410-F414 WeakPolarHBondContact O-CA 3.34Å; C410-F414 PolarHBondContact O-N 3.09Å; F414-S416 PolarHBondContact O-N 3.15Å
415K76.2Confident67.7Low137 Ų13780.8 Ų80.860%0.59645%0.449SS*.  trans-66.4131.8174.5-75.7-176.6177.6178.90109.5C393 G409 C410 C413C393-K415 HydrophobicContact CB-CD 3.93Å; G409-K415 VanDerWaalsContact CA-O 3.31Å; G409-K415 WeakPolarHBondContact CA-O 3.49Å; C410-K415 PolarHBondContact N-O 3.06Å; C410-K415 VanDerWaalsContact N-O 3.13Å; C413-K415 PolarHBondContact O-N 2.71Å
416S59Low67.4Low110 Ų11080.7 Ų80.777%0.76945%0.45SS*.BIsolated β-bridgetrans-68.2136.1176.349.30000109.9F414F414-S416 PolarHBondContact O-N 3.15Å
417S61.9Low67.5Low51 Ų5181.2 Ų81.236%0.35743%0.432SS..  trans99.5113.7-174.8-166.40000115.3K408 K419K408-S417 PolarHBondContact O-N 3.05Å; S417-K419 WeakPolarHBondContact OG-CB 3.25Å; S417-K419 WeakPolarHBondContact OG-CG 3.5Å; S417-K419 PolarHBondContact OG-N 3.24Å
418I61.2Low67.9Low40 Ų4082.3 Ų82.321%0.20543%0.434CS..  trans-95.68.4166.2-59.6-165.7000111L391 L402 T407 G409 P420L391-I418 HydrophobicContact CD2-CB 4.44Å; L391-I418 HydrophobicContact CD2-CG2 3.8Å; L402-I418 HydrophobicContact CD2-CG2 3.57Å; T407-I418 VanDerWaalsContact C-CD1 3.43Å; T407-I418 WeakPolarHBondContact O-CD1 2.84Å; T407-I418 WeakPolarHBondContact OG1-CD1 3.37Å; G409-I418 WeakPolarHBondContact O-CD1 3.44Å; I418-P420 WeakPolarHBondContact O-CD 3.5Å; I418-P420 VanDerWaalsContact O-N 3.07Å
419K60.8Low68Low160 Ų16074.3 Ų74.370%0.69641%0.405SS*.PPolyproline II helixtrans-51.5126.1177.3-74.1-171.5178.7-175.60108.8P392 S417 G421P392-K419 WeakPolarHBondContact CD-O 3.11Å; P392-K419 WeakPolarHBondContact CG-O 3.5Å; S417-K419 WeakPolarHBondContact OG-CB 3.25Å; S417-K419 WeakPolarHBondContact OG-CG 3.5Å; S417-K419 PolarHBondContact OG-N 3.24Å; K419-G421 PolarHBondContact O-N 3Å; K419-G421 VanDerWaalsContact O-N 3.15Å
420P56.1Low67.7Low78 Ų7878.2 Ų78.251%0.50642%0.42SS..PPolyproline II helixtrans-47.8124.4179.5-30.836.3000110.6Q389 I418Q389-P420 HydrophobicContact CG-CB 4.49Å; I418-P420 WeakPolarHBondContact O-CD 3.5Å; I418-P420 VanDerWaalsContact O-N 3.07Å
421G61.3Low66.5Low5 Ų584.2 Ų84.25%0.05245%0.452CS..SBendtrans-70143.6162.900000109.1Q389 A390 K419Q389-G421 PolarHBondContact NE2-O 3.06Å; A390-G421 PolarHBondContact O-N 3.12Å; K419-G421 PolarHBondContact O-N 3Å; K419-G421 VanDerWaalsContact O-N 3.15Å
422F60.4Low65.4Low38 Ų3887.3 Ų87.317%0.16746%0.464CS..  trans61.686.9-174.6-52.2-78000114.6E158 L161 L180 F196E158-F422 VanDerWaalsContact CA-CZ 3.48Å; E158-F422 HydrophobicContact CB-CE1 3.93Å; E158-F422 HydrophobicContact CB-CE2 4.24Å; E158-F422 HydrophobicContact CB-CZ 3.43Å; E158-F422 VanDerWaalsContact CB-CZ 3.43Å; E158-F422 HydrophobicContact CG-CE1 3.98Å; E158-F422 HydrophobicContact CG-CE2 4.33Å; E158-F422 HydrophobicContact CG-CZ 3.74Å; L161-F422 HydrophobicContact CD1-CD1 3.61Å; L161-F422 HydrophobicContact CD1-CE1 3.48Å; L161-F422 VanDerWaalsContact CD1-CE1 3.48Å; L180-F422 HydrophobicContact CD1-CD1 4Å; L180-F422 HydrophobicContact CD1-CE1 3.97Å; L180-F422 HydrophobicContact CD2-CE1 4.41Å; L180-F422 HydrophobicContact CD2-CZ 4.2Å; F196-F422 HydrophobicContact CE1-CB 4.31Å; F196-F422 HydrophobicContact CZ-CB 4.01Å
423V42.3Very low64Low147 Ų14789.8 Ų89.889%0.89148%0.483SS*.  trans-95.60155.9-1790000108.2K199K199-V423 PolarHBondContact NZ-OXT 3.48Å

Retrieved 423 of 423 residues in 402.7 ms (Link to these results)

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