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NADH-ubiquinone oxidoreductase chain 6

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity and assembly of complex I.

AlphaFold DB , UniProt , Accession A0A075DCG5, Species MOUSE (Mus musculus, Mouse), Gene ND6, Length 172 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
1M63.1Low83.1Confident206 Ų20675.5 Ų75.5100%1.01539%0.394SS*.  076.70-70.3-161-169.700107.1N3 Y4M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 3.33Å; M1-Y4 VanDerWaalsContact O-CD1 3.28Å; M1-Y4 WeakPolarHBondContact O-CD1 3.44Å
2N68.9Low83.8Confident120 Ų12075.1 Ų75.164%0.64239%0.387SS*.THydrogen-bonded Turntrans-80.3-16-161.7-64.311.5000113.4G121N2-G121 WeakPolarHBondContact O-CA 3.49Å
3N79.8Confident84.4Confident86 Ų8675.8 Ų75.846%0.4639%0.391SS..THydrogen-bonded Turntrans-101.912-176.1-57.5-5.7000112.7M1 I5 F6 V7M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 3.33Å; N3-I5 PolarHBondContact O-N 3.1Å; N3-F6 PolarHBondContact O-N 3.37Å; N3-V7 WeakPolarHBondContact O-CG2 3.29Å; N3-V7 PolarHBondContact O-N 2.68Å
4Y84.3Confident84.8Confident82 Ų8274.4 Ų74.432%0.32239%0.387SS..Hα-helixtrans-62.4-45.5-169.879.9-77.7000112.7M1 F6 V7 L8 G45 L124M1-Y4 VanDerWaalsContact O-CD1 3.28Å; M1-Y4 WeakPolarHBondContact O-CD1 3.44Å; Y4-F6 VanDerWaalsContact C-N 3.32Å; Y4-F6 PolarHBondContact O-N 3.48Å; Y4-V7 PolarHBondContact O-N 3.1Å; Y4-L8 HydrophobicContact CD2-CD1 4.18Å; Y4-L8 VanDerWaalsContact O-CG 3.31Å; Y4-L8 WeakPolarHBondContact O-CG 3.29Å; Y4-L8 PolarHBondContact O-N 2.98Å; Y4-G45 PolarHBondContact OH-O 3.48Å; Y4-L124 HydrophobicContact CD1-CD1 4.39Å; Y4-L124 HydrophobicContact CE1-CD1 3.57Å
5I85.6Confident85.1Confident20 Ų2070.4 Ų70.410%0.10337%0.372CS..Hα-helixtrans-65.4-37.2177.1-83.8163.1000111.7N3 L8 S9 F46 L124N3-I5 PolarHBondContact O-N 3.1Å; I5-L8 PolarHBondContact O-N 2.94Å; I5-S9 WeakPolarHBondContact O-CB 3.3Å; I5-S9 PolarHBondContact O-N 3.29Å; I5-S9 PolarHBondContact O-OG 3.44Å; I5-F46 HydrophobicContact CD1-CD1 4.38Å; I5-F46 HydrophobicContact CD1-CE1 3.87Å; I5-F46 HydrophobicContact CD1-CE2 4.12Å; I5-F46 HydrophobicContact CD1-CZ 3.73Å; I5-F46 HydrophobicContact CG1-CZ 4.48Å; I5-F46 HydrophobicContact CG2-CZ 4.11Å; I5-L124 HydrophobicContact CB-CD2 4.04Å; I5-L124 HydrophobicContact CD1-CB 4.4Å; I5-L124 HydrophobicContact CD1-CD1 3.83Å; I5-L124 HydrophobicContact CD1-CD2 3.55Å; I5-L124 HydrophobicContact CD1-CG 4.12Å; I5-L124 HydrophobicContact CG1-CD2 4.39Å; I5-L124 HydrophobicContact CG2-CD2 3.98Å
6F84.2Confident85.4Confident55 Ų5568.9 Ų68.924%0.24137%0.368CS..Hα-helixtrans-66.2-38.9176.8-175.4-97.3000112.4N3 Y4 S9 S10 I103 L120N3-F6 PolarHBondContact O-N 3.37Å; Y4-F6 VanDerWaalsContact C-N 3.32Å; Y4-F6 PolarHBondContact O-N 3.48Å; F6-S9 WeakPolarHBondContact CA-OG 3.49Å; F6-S9 PolarHBondContact O-N 2.98Å; F6-S9 PolarHBondContact O-OG 3.33Å; F6-S10 PolarHBondContact O-N 3.43Å; F6-S10 VanDerWaalsContact O-N 3.1Å; F6-S10 PolarHBondContact O-OG 3.49Å; F6-I103 HydrophobicContact CZ-CD1 4.01Å; F6-I103 HydrophobicContact CZ-CG2 3.87Å; F6-L120 HydrophobicContact CB-CD1 4.26Å; F6-L120 HydrophobicContact CB-CD2 4.25Å; F6-L120 HydrophobicContact CD2-CD1 4.24Å; F6-L120 HydrophobicContact CD2-CD2 3.94Å; F6-L120 HydrophobicContact CG-CD1 4.08Å; F6-L120 HydrophobicContact CG-CD2 4.33Å
7V88.2Confident85.6Confident73 Ų7368.7 Ų68.744%0.44237%0.367SS..Hα-helixtrans-67.6-41.6173.7173.20000110.6N3 Y4 S10 L11N3-V7 WeakPolarHBondContact O-CG2 3.29Å; N3-V7 PolarHBondContact O-N 2.68Å; Y4-V7 PolarHBondContact O-N 3.1Å; V7-S10 WeakPolarHBondContact CA-OG 3.26Å; V7-S10 PolarHBondContact O-OG 3.34Å; V7-L11 HydrophobicContact CG1-CD1 4.03Å; V7-L11 HydrophobicContact CG1-CG 4.49Å; V7-L11 WeakPolarHBondContact O-CB 3.34Å; V7-L11 VanDerWaalsContact O-CG 3.26Å; V7-L11 WeakPolarHBondContact O-CG 3.35Å; V7-L11 PolarHBondContact O-N 3.06Å
8L90.3Very high85.7Confident26 Ų2665.3 Ų65.314%0.13635%0.35CS..Hα-helixtrans-65.1-38.5176.1-68.5168.8000112.2Y4 I5 L11 F12 V38 L41 M42Y4-L8 HydrophobicContact CD2-CD1 4.18Å; Y4-L8 VanDerWaalsContact O-CG 3.31Å; Y4-L8 WeakPolarHBondContact O-CG 3.29Å; Y4-L8 PolarHBondContact O-N 2.98Å; I5-L8 PolarHBondContact O-N 2.94Å; L8-L11 PolarHBondContact O-N 3.01Å; L8-F12 WeakPolarHBondContact O-CB 3.5Å; L8-F12 PolarHBondContact O-N 2.89Å; L8-V38 HydrophobicContact CB-CG1 4.06Å; L8-V38 HydrophobicContact CD2-CG1 3.96Å; L8-V38 WeakPolarHBondContact O-CG1 3.45Å; L8-L41 HydrophobicContact CD1-CB 4.04Å; L8-L41 HydrophobicContact CD2-CB 4.14Å; L8-L41 HydrophobicContact CD2-CD1 4.05Å; L8-M42 HydrophobicContact CB-CG 3.45Å; L8-M42 VanDerWaalsContact CB-CG 3.45Å; L8-M42 HydrophobicContact CB-SD 4.04Å; L8-M42 HydrophobicContact CD1-CG 4.12Å; L8-M42 HydrophobicContact CG-CG 4.39Å
9S88.6Confident85.8Confident39 Ų3963.6 Ų63.627%0.27334%0.341SS..Hα-helixtrans-67.9-42.9179.265.60000112.2I5 F6 F12 L13 M42I5-S9 WeakPolarHBondContact O-CB 3.3Å; I5-S9 PolarHBondContact O-N 3.29Å; I5-S9 PolarHBondContact O-OG 3.44Å; F6-S9 WeakPolarHBondContact CA-OG 3.49Å; F6-S9 PolarHBondContact O-N 2.98Å; F6-S9 PolarHBondContact O-OG 3.33Å; S9-F12 WeakPolarHBondContact O-CB 3.45Å; S9-F12 PolarHBondContact O-N 3.21Å; S9-L13 WeakPolarHBondContact O-CG 3.22Å; S9-L13 PolarHBondContact O-N 3.39Å; S9-M42 VanDerWaalsContact CA-SD 3.58Å
10S89Confident85.9Confident30 Ų3064.1 Ų64.121%0.2135%0.354CS..Hα-helixtrans-63.5-42.2173.251.40000112F6 V7 F12 L13 V14F6-S10 PolarHBondContact O-N 3.43Å; F6-S10 VanDerWaalsContact O-N 3.1Å; F6-S10 PolarHBondContact O-OG 3.49Å; V7-S10 WeakPolarHBondContact CA-OG 3.26Å; V7-S10 PolarHBondContact O-OG 3.34Å; S10-F12 VanDerWaalsContact C-N 3.29Å; S10-F12 PolarHBondContact O-N 3.39Å; S10-L13 PolarHBondContact O-N 2.95Å; S10-V14 WeakPolarHBondContact O-CG2 3.2Å; S10-V14 PolarHBondContact O-N 3.17Å
11L91.7Very high85.9Confident94 Ų9463 Ų6349%0.49235%0.347SS..Hα-helixtrans-60.1-38.9173-75.3171.8000112.4V7 L8 G15 V38V7-L11 HydrophobicContact CG1-CD1 4.03Å; V7-L11 HydrophobicContact CG1-CG 4.49Å; V7-L11 WeakPolarHBondContact O-CB 3.34Å; V7-L11 VanDerWaalsContact O-CG 3.26Å; V7-L11 WeakPolarHBondContact O-CG 3.35Å; V7-L11 PolarHBondContact O-N 3.06Å; L8-L11 PolarHBondContact O-N 3.01Å; L11-G15 PolarHBondContact O-N 3.31Å; L11-V38 HydrophobicContact CB-CG1 4.05Å; L11-V38 HydrophobicContact CB-CG2 4.42Å
12F92.1Very high87Confident70 Ų7061.4 Ų61.431%0.30734%0.335SS..Hα-helixtrans-64.2-44175.1-179.2-101.8000111.8L8 S9 S10 G15 C16 S35 V38 M42L8-F12 WeakPolarHBondContact O-CB 3.5Å; L8-F12 PolarHBondContact O-N 2.89Å; S9-F12 WeakPolarHBondContact O-CB 3.45Å; S9-F12 PolarHBondContact O-N 3.21Å; S10-F12 VanDerWaalsContact C-N 3.29Å; S10-F12 PolarHBondContact O-N 3.39Å; F12-G15 PolarHBondContact O-N 3.14Å; F12-C16 PolarHBondContact O-N 3.24Å; F12-C16 PolarHBondContact O-SG 3.35Å; F12-S35 VanDerWaalsContact CD2-O 3.28Å; F12-S35 WeakPolarHBondContact CD2-O 3.37Å; F12-V38 HydrophobicContact CB-CG1 4.03Å; F12-M42 HydrophobicContact CB-CE 3.66Å; F12-M42 HydrophobicContact CD1-CE 4.25Å; F12-M42 HydrophobicContact CD2-CE 4.09Å; F12-M42 HydrophobicContact CG-CE 3.74Å
13L91.3Very high87.6Confident84 Ų8456.4 Ų56.444%0.4431%0.309SS..Hα-helixtrans-62-46.1176.7-73.2174.2000111.9S9 S10 G15 C16 L17 E99S9-L13 WeakPolarHBondContact O-CG 3.22Å; S9-L13 PolarHBondContact O-N 3.39Å; S10-L13 PolarHBondContact O-N 2.95Å; L13-G15 VanDerWaalsContact C-N 3.28Å; L13-G15 PolarHBondContact O-N 2.92Å; L13-C16 CarbonylContact O-C 3.6Å; L13-C16 PolarHBondContact O-N 2.9Å; L13-C16 VanDerWaalsContact O-N 3.13Å; L13-L17 WeakPolarHBondContact O-CG 3.37Å; L13-L17 PolarHBondContact O-N 3.46Å; L13-E99 WeakPolarHBondContact CB-OE1 3.41Å; L13-E99 VanDerWaalsContact CD1-OE1 3.22Å; L13-E99 WeakPolarHBondContact CD1-OE1 3.48Å
14V90.4Very high87.7Confident56 Ų5653.1 Ų53.134%0.33929%0.293SS..Hα-helixtrans-60-40174.9175.40000111.2S10 L17 G18 V96S10-V14 WeakPolarHBondContact O-CG2 3.2Å; S10-V14 PolarHBondContact O-N 3.17Å; V14-L17 PolarHBondContact O-N 2.93Å; V14-G18 PolarHBondContact O-N 2.89Å; V14-V96 HydrophobicContact CG2-CG2 4.24Å
15G89.2Confident87.7Confident15 Ų1552 Ų5216%0.15530%0.295CS..Hα-helixtrans-58.4-49.4172.700000112.2L11 F12 L13 L17 G18 L19L11-G15 PolarHBondContact O-N 3.31Å; F12-G15 PolarHBondContact O-N 3.14Å; L13-G15 VanDerWaalsContact C-N 3.28Å; L13-G15 PolarHBondContact O-N 2.92Å; G15-L17 PolarHBondContact O-N 3.48Å; G15-G18 PolarHBondContact O-N 2.87Å; G15-L19 WeakPolarHBondContact O-CG 3.37Å; G15-L19 PolarHBondContact O-N 3.29Å; G15-L19 VanDerWaalsContact O-N 3.13Å
16C88.9Confident87.5Confident47 Ų4754.1 Ų54.132%0.31831%0.307SS..Hα-helixtrans-63.9-38.3177.1-71.60000113.2F12 L13 L19 A20F12-C16 PolarHBondContact O-N 3.24Å; F12-C16 PolarHBondContact O-SG 3.35Å; L13-C16 CarbonylContact O-C 3.6Å; L13-C16 PolarHBondContact O-N 2.9Å; L13-C16 VanDerWaalsContact O-N 3.13Å; C16-L19 WeakPolarHBondContact O-CB 3.05Å; C16-L19 PolarHBondContact O-N 3.17Å; C16-A20 WeakPolarHBondContact O-CB 3.49Å; C16-A20 PolarHBondContact O-N 3.17Å
17L90.4Very high87.5Confident65 Ų6555 Ų5534%0.3431%0.309SS..Hα-helixtrans-61.5-45.6172.9-73.9172.4000110.8L13 V14 G15 L19 A20 L21L13-L17 WeakPolarHBondContact O-CG 3.37Å; L13-L17 PolarHBondContact O-N 3.46Å; V14-L17 PolarHBondContact O-N 2.93Å; G15-L17 PolarHBondContact O-N 3.48Å; L17-L19 PolarHBondContact O-N 3.24Å; L17-A20 PolarHBondContact O-N 3.35Å; L17-A20 VanDerWaalsContact O-N 3.15Å; L17-L21 WeakPolarHBondContact O-CG 3.41Å; L17-L21 PolarHBondContact O-N 3.33Å
18G87.1Confident87.3Confident7 Ų752 Ų527%0.07229%0.293CS..Hα-helixtrans-58.7-30.2175.700000113.6V14 G15 P23 W82V14-G18 PolarHBondContact O-N 2.89Å; G15-G18 PolarHBondContact O-N 2.87Å; G18-P23 VanDerWaalsContact O-CD 3.28Å; G18-P23 WeakPolarHBondContact O-CD 3.37Å; G18-W82 PolarHBondContact O-NE1 3.3Å
19L87.4Confident87.1Confident34 Ų3451.1 Ų51.118%0.17829%0.29CS..Hα-helixtrans-79.2-40.3174.4-63.8169.8000112.9G15 C16 L17 L21 K22 G28 L32G15-L19 WeakPolarHBondContact O-CG 3.37Å; G15-L19 PolarHBondContact O-N 3.29Å; G15-L19 VanDerWaalsContact O-N 3.13Å; C16-L19 WeakPolarHBondContact O-CB 3.05Å; C16-L19 PolarHBondContact O-N 3.17Å; L17-L19 PolarHBondContact O-N 3.24Å; L19-L21 PolarHBondContact O-N 2.91Å; L19-K22 PolarHBondContact O-N 2.9Å; L19-G28 WeakPolarHBondContact CD2-O 3.31Å; L19-L32 HydrophobicContact CD1-CB 4.4Å; L19-L32 HydrophobicContact CD1-CD1 4.46Å; L19-L32 HydrophobicContact CD1-CD2 3.39Å; L19-L32 HydrophobicContact CD1-CG 3.45Å; L19-L32 VanDerWaalsContact CD1-CG 3.45Å; L19-L32 HydrophobicContact CD2-CB 4.46Å; L19-L32 HydrophobicContact CD2-CD1 4.25Å; L19-L32 HydrophobicContact CD2-CG 3.71Å; L19-L32 HydrophobicContact CG-CG 4.21Å
20A88.4Confident86.9Confident73 Ų7353.8 Ų53.860%0.60330%0.301SS*.Hα-helixtrans-63.6-25.9179.800000112.7C16 L17 K22C16-A20 WeakPolarHBondContact O-CB 3.49Å; C16-A20 PolarHBondContact O-N 3.17Å; L17-A20 PolarHBondContact O-N 3.35Å; L17-A20 VanDerWaalsContact O-N 3.15Å; A20-K22 PolarHBondContact O-N 2.81Å
21L85.9Confident86.8Confident40 Ų4052.8 Ų52.821%0.20930%0.295CS..THydrogen-bonded Turntrans-70.1-3.3173.3-68.4171.5000113.9L17 L19 I88 F91 L92L17-L21 WeakPolarHBondContact O-CG 3.41Å; L17-L21 PolarHBondContact O-N 3.33Å; L19-L21 PolarHBondContact O-N 2.91Å; L21-I88 HydrophobicContact CB-CG2 4.13Å; L21-I88 HydrophobicContact CD1-CG2 4.26Å; L21-F91 HydrophobicContact CD2-CB 3.68Å; L21-L92 HydrophobicContact CD1-CB 3.52Å; L21-L92 HydrophobicContact CD1-CD1 3.86Å; L21-L92 HydrophobicContact CD1-CG 3.92Å
22K84.4Confident86.6Confident174 Ų17450.6 Ų50.676%0.75728%0.284SS*.  trans49.855.8176.9-62175.1-179.71760113.1L19 A20L19-K22 PolarHBondContact O-N 2.9Å; A20-K22 PolarHBondContact O-N 2.81Å
23P81.7Confident86.5Confident14 Ų1450.2 Ų50.29%0.09128%0.284CS..  trans-63.6171.5167.435.8-40.4000109.7G18 W82G18-P23 VanDerWaalsContact O-CD 3.28Å; G18-P23 WeakPolarHBondContact O-CD 3.37Å; P23-W82 HydrophobicContact CG-CZ2 4.32Å
24S83.5Confident86.5Confident18 Ų1850.6 Ų50.613%0.12629%0.29CS..  trans-54.4148.4174.965.60000111.4I26 Y27 G28 E80S24-I26 PolarHBondContact O-N 2.92Å; S24-Y27 PolarHBondContact O-N 3.4Å; S24-Y27 WeakPolarHBondContact OG-CD2 3.4Å; S24-G28 PolarHBondContact O-N 3.24Å; S24-E80 WeakPolarHBondContact CB-O 3.36Å; S24-E80 PolarHBondContact N-O 2.99Å; S24-E80 PolarHBondContact OG-O 2.87Å
25P83.3Confident86.6Confident57 Ų5748.1 Ų48.137%0.3728%0.275SS..Hα-helixtrans-57.9-20.6-170.8-27.134.7000115.2G29 T70P25-G29 WeakPolarHBondContact O-CA 3.13Å; P25-G29 PolarHBondContact O-N 2.88Å; P25-T70 HydrophobicContact CB-CG2 3.29Å; P25-T70 HydrophobicContact CG-CG2 3.72Å
26I82.7Confident86.7Confident66 Ų6647.8 Ų47.834%0.33827%0.272SS..Hα-helixtrans-65.6-51173.6-61.3176000110.7S24 G29 L30 F67S24-I26 PolarHBondContact O-N 2.92Å; I26-G29 WeakPolarHBondContact O-CA 3.43Å; I26-G29 PolarHBondContact O-N 3.38Å; I26-L30 PolarHBondContact O-N 3.36Å; I26-L30 VanDerWaalsContact O-N 3.13Å; I26-F67 HydrophobicContact CB-CE2 4.47Å; I26-F67 HydrophobicContact CG1-CD2 4.39Å; I26-F67 HydrophobicContact CG1-CE2 3.99Å; I26-F67 HydrophobicContact CG2-CE2 4.09Å
27Y83.7Confident86.8Confident72 Ų7250.5 Ų50.528%0.28228%0.278SS..Hα-helixtrans-73.3-33.4177.8-62.7-73.5000111.8S24 G29 L30 G31 T81 W82S24-Y27 PolarHBondContact O-N 3.4Å; S24-Y27 WeakPolarHBondContact OG-CD2 3.4Å; Y27-G29 VanDerWaalsContact C-N 3.28Å; Y27-G29 PolarHBondContact O-N 2.96Å; Y27-L30 HydrophobicContact CD1-CD1 4.44Å; Y27-L30 PolarHBondContact O-N 3.49Å; Y27-G31 PolarHBondContact O-N 2.95Å; Y27-T81 HydrophobicContact CD2-CG2 4.44Å; Y27-T81 HydrophobicContact CE2-CG2 3.59Å; Y27-W82 HydrophobicContact CD1-CZ3 4.25Å
28G84.1Confident87Confident11 Ų1148 Ų4811%0.11327%0.266CS..Hα-helixtrans-59.6-41.3168.600000111.8L19 S24 G31 L32L19-G28 WeakPolarHBondContact CD2-O 3.31Å; S24-G28 PolarHBondContact O-N 3.24Å; G28-G31 PolarHBondContact O-N 3.41Å; G28-L32 PolarHBondContact O-N 3.45Å
29G84.9Confident87.2Confident8 Ų848.3 Ų48.38%0.08227%0.269CS..Hα-helixtrans-50.7-56.9170.300000112.8P25 I26 Y27 G31 L32 I33P25-G29 WeakPolarHBondContact O-CA 3.13Å; P25-G29 PolarHBondContact O-N 2.88Å; I26-G29 WeakPolarHBondContact O-CA 3.43Å; I26-G29 PolarHBondContact O-N 3.38Å; Y27-G29 VanDerWaalsContact C-N 3.28Å; Y27-G29 PolarHBondContact O-N 2.96Å; G29-G31 PolarHBondContact O-N 2.95Å; G29-L32 PolarHBondContact O-N 3.23Å; G29-I33 WeakPolarHBondContact O-CG1 3.41Å; G29-I33 PolarHBondContact O-N 2.85Å; G29-I33 VanDerWaalsContact O-N 3.08Å
30L84.4Confident87.5Confident94 Ų9447 Ų4749%0.49226%0.262SS..Hα-helixtrans-60.9-43.1179.3-64.9173.9000112.2I26 Y27 L32 I33 V34I26-L30 PolarHBondContact O-N 3.36Å; I26-L30 VanDerWaalsContact O-N 3.13Å; Y27-L30 HydrophobicContact CD1-CD1 4.44Å; Y27-L30 PolarHBondContact O-N 3.49Å; L30-L32 VanDerWaalsContact C-N 3.32Å; L30-L32 PolarHBondContact O-N 3.04Å; L30-I33 PolarHBondContact O-N 3.44Å; L30-V34 WeakPolarHBondContact O-CG2 3.33Å; L30-V34 PolarHBondContact O-N 3.17Å
31G87.4Confident87.6Confident9 Ų946.5 Ų46.59%0.09325%0.249CC..Hα-helixtrans-60.9-38.7176.700000113.1Y27 G28 G29 S35Y27-G31 PolarHBondContact O-N 2.95Å; G28-G31 PolarHBondContact O-N 3.41Å; G29-G31 PolarHBondContact O-N 2.95Å; G31-S35 WeakPolarHBondContact O-CB 3.29Å; G31-S35 PolarHBondContact O-N 3.41Å; G31-S35 PolarHBondContact O-OG 3.03Å
32L87.6Confident87.8Confident48 Ų4846 Ų4625%0.25125%0.246SC..Hα-helixtrans-69.1-36.9176.7-84.8164.3000112.3L19 G28 G29 L30 S35 G36 Y59 M63L19-L32 HydrophobicContact CD1-CB 4.4Å; L19-L32 HydrophobicContact CD1-CD1 4.46Å; L19-L32 HydrophobicContact CD1-CD2 3.39Å; L19-L32 HydrophobicContact CD1-CG 3.45Å; L19-L32 VanDerWaalsContact CD1-CG 3.45Å; L19-L32 HydrophobicContact CD2-CB 4.46Å; L19-L32 HydrophobicContact CD2-CD1 4.25Å; L19-L32 HydrophobicContact CD2-CG 3.71Å; L19-L32 HydrophobicContact CG-CG 4.21Å; G28-L32 PolarHBondContact O-N 3.45Å; G29-L32 PolarHBondContact O-N 3.23Å; L30-L32 VanDerWaalsContact C-N 3.32Å; L30-L32 PolarHBondContact O-N 3.04Å; L32-S35 WeakPolarHBondContact CA-OG 3.49Å; L32-S35 PolarHBondContact O-OG 3.44Å; L32-G36 PolarHBondContact O-N 3.48Å; L32-Y59 HydrophobicContact CD2-CE1 4.38Å; L32-M63 HydrophobicContact CB-CE 3.93Å; L32-M63 HydrophobicContact CB-CG 4.02Å; L32-M63 HydrophobicContact CB-SD 4.07Å; L32-M63 HydrophobicContact CD1-CE 3.29Å; L32-M63 HydrophobicContact CD1-SD 3.53Å; L32-M63 VanDerWaalsContact CD1-SD 3.53Å; L32-M63 HydrophobicContact CG-CE 4.2Å; L32-M63 HydrophobicContact CG-SD 4.35Å
33I90.6Very high88.1Confident62 Ų6239.8 Ų39.832%0.31822%0.223SC..Hα-helixtrans-67.3-45.3176.2-63.8168.7000110.6G29 L30 G36 F37 L60 M63G29-I33 WeakPolarHBondContact O-CG1 3.41Å; G29-I33 PolarHBondContact O-N 2.85Å; G29-I33 VanDerWaalsContact O-N 3.08Å; L30-I33 PolarHBondContact O-N 3.44Å; I33-G36 PolarHBondContact O-N 2.93Å; I33-F37 WeakPolarHBondContact O-CB 3.26Å; I33-F37 PolarHBondContact O-N 3.2Å; I33-L60 HydrophobicContact CB-CD2 4.49Å; I33-L60 HydrophobicContact CD1-CD2 4.26Å; I33-L60 HydrophobicContact CG1-CD2 3.99Å; I33-L60 HydrophobicContact CG2-CD2 3.79Å; I33-M63 HydrophobicContact CG1-CB 4.42Å
34V91.3Very high88.4Confident92 Ų9242.5 Ų42.556%0.55824%0.236SC*.Hα-helixtrans-65.2-48.2179.2175.70000110.8L30 G36 F37 V38L30-V34 WeakPolarHBondContact O-CG2 3.33Å; L30-V34 PolarHBondContact O-N 3.17Å; V34-G36 PolarHBondContact O-N 3Å; V34-F37 PolarHBondContact O-N 3.22Å; V34-V38 VanDerWaalsContact O-CG2 3.31Å; V34-V38 WeakPolarHBondContact O-CG2 3.41Å; V34-V38 PolarHBondContact O-N 3.12Å
35S91.6Very high88.4Confident5 Ų542.6 Ų42.64%0.03524%0.24CC..Hα-helixtrans-63.7-40176.854.30000112.1F12 G31 L32 F37 V38 G39F12-S35 VanDerWaalsContact CD2-O 3.28Å; F12-S35 WeakPolarHBondContact CD2-O 3.37Å; G31-S35 WeakPolarHBondContact O-CB 3.29Å; G31-S35 PolarHBondContact O-N 3.41Å; G31-S35 PolarHBondContact O-OG 3.03Å; L32-S35 WeakPolarHBondContact CA-OG 3.49Å; L32-S35 PolarHBondContact O-OG 3.44Å; S35-F37 PolarHBondContact O-N 3.03Å; S35-V38 PolarHBondContact O-N 3.22Å; S35-G39 PolarHBondContact O-N 3.41Å
36G91.3Very high88.5Confident8 Ų844.7 Ų44.78%0.08224%0.244CC..Hα-helixtrans-61.9-40173.700000113.2L32 I33 V34 G39 C40L32-G36 PolarHBondContact O-N 3.48Å; I33-G36 PolarHBondContact O-N 2.93Å; V34-G36 PolarHBondContact O-N 3Å; G36-G39 PolarHBondContact O-N 3.5Å; G36-C40 WeakPolarHBondContact O-CB 3.42Å; G36-C40 PolarHBondContact O-N 3.18Å
37F92Very high88.5Confident103 Ų10344.1 Ų44.145%0.45225%0.254SS..Hα-helixtrans-65.4-46.7174.7-179.5-108.4000112I33 V34 S35 G39 C40 L41 F56I33-F37 WeakPolarHBondContact O-CB 3.26Å; I33-F37 PolarHBondContact O-N 3.2Å; V34-F37 PolarHBondContact O-N 3.22Å; S35-F37 PolarHBondContact O-N 3.03Å; F37-G39 VanDerWaalsContact C-N 3.3Å; F37-G39 PolarHBondContact O-N 2.96Å; F37-C40 WeakPolarHBondContact O-CB 3.49Å; F37-C40 PolarHBondContact O-N 3.35Å; F37-C40 VanDerWaalsContact O-N 3.17Å; F37-L41 HydrophobicContact CD1-CD1 4.07Å; F37-L41 HydrophobicContact CE1-CD1 3.56Å; F37-L41 HydrophobicContact CE1-CG 4.18Å; F37-L41 HydrophobicContact CZ-CD1 3.96Å; F37-L41 HydrophobicContact CZ-CD2 4.24Å; F37-L41 HydrophobicContact CZ-CG 4.2Å; F37-L41 PolarHBondContact O-N 3.11Å; F37-F56 HydrophobicContact CB-CD2 4.32Å; F37-F56 HydrophobicContact CB-CE2 3.8Å; F37-F56 HydrophobicContact CD2-CE2 4.01Å; F37-F56 HydrophobicContact CD2-CZ 4.06Å; F37-F56 HydrophobicContact CG-CE2 4.4Å
38V94.2Very high88.6Confident13 Ų1341.6 Ų41.68%0.07925%0.25CS..Hα-helixtrans-61.2-40.8176174.40000110.8L8 L11 F12 V34 S35 C40 L41 M42L8-V38 HydrophobicContact CB-CG1 4.06Å; L8-V38 HydrophobicContact CD2-CG1 3.96Å; L8-V38 WeakPolarHBondContact O-CG1 3.45Å; L11-V38 HydrophobicContact CB-CG1 4.05Å; L11-V38 HydrophobicContact CB-CG2 4.42Å; F12-V38 HydrophobicContact CB-CG1 4.03Å; V34-V38 VanDerWaalsContact O-CG2 3.31Å; V34-V38 WeakPolarHBondContact O-CG2 3.41Å; V34-V38 PolarHBondContact O-N 3.12Å; S35-V38 PolarHBondContact O-N 3.22Å; V38-C40 PolarHBondContact O-N 3.4Å; V38-L41 PolarHBondContact O-N 3.39Å; V38-M42 WeakPolarHBondContact O-CG 3.41Å; V38-M42 PolarHBondContact O-N 2.98Å
39G91.6Very high88.6Confident13 Ų1343.3 Ų43.313%0.13426%0.261CS..Hα-helixtrans-58.3-45.2172.200000113S35 G36 F37 L41 M42 V43S35-G39 PolarHBondContact O-N 3.41Å; G36-G39 PolarHBondContact O-N 3.5Å; F37-G39 VanDerWaalsContact C-N 3.3Å; F37-G39 PolarHBondContact O-N 2.96Å; G39-L41 VanDerWaalsContact C-N 3.35Å; G39-L41 PolarHBondContact O-N 3.02Å; G39-M42 WeakPolarHBondContact O-CB 3.24Å; G39-M42 PolarHBondContact O-N 3.25Å; G39-V43 WeakPolarHBondContact O-CG2 3.2Å; G39-V43 PolarHBondContact O-N 3.43Å
40C92.2Very high88.7Confident6 Ų647 Ų474%0.04127%0.274CS..Hα-helixtrans-59.3-44.3175.1-179.10000111.9G36 F37 V38 M42 V43 L44 G52 F56G36-C40 WeakPolarHBondContact O-CB 3.42Å; G36-C40 PolarHBondContact O-N 3.18Å; F37-C40 WeakPolarHBondContact O-CB 3.49Å; F37-C40 PolarHBondContact O-N 3.35Å; F37-C40 VanDerWaalsContact O-N 3.17Å; V38-C40 PolarHBondContact O-N 3.4Å; C40-M42 VanDerWaalsContact C-N 3.32Å; C40-M42 PolarHBondContact O-N 2.92Å; C40-V43 PolarHBondContact O-N 3.43Å; C40-L44 WeakPolarHBondContact O-CB 3.47Å; C40-L44 WeakPolarHBondContact O-CD1 3.5Å; C40-L44 VanDerWaalsContact O-CG 3.3Å; C40-L44 WeakPolarHBondContact O-CG 3.34Å; C40-L44 PolarHBondContact O-N 2.79Å; C40-G52 PolarHBondContact SG-O 3.2Å; C40-F56 HydrophobicContact CB-CB 4.14Å
41L91.6Very high88.9Confident63 Ų6347.3 Ų47.333%0.3328%0.276SS..Hα-helixtrans-62.1-37176.2-67.8178000112.8L8 F37 V38 G39 L44 G45L8-L41 HydrophobicContact CD1-CB 4.04Å; L8-L41 HydrophobicContact CD2-CB 4.14Å; L8-L41 HydrophobicContact CD2-CD1 4.05Å; F37-L41 HydrophobicContact CD1-CD1 4.07Å; F37-L41 HydrophobicContact CE1-CD1 3.56Å; F37-L41 HydrophobicContact CE1-CG 4.18Å; F37-L41 HydrophobicContact CZ-CD1 3.96Å; F37-L41 HydrophobicContact CZ-CD2 4.24Å; F37-L41 HydrophobicContact CZ-CG 4.2Å; F37-L41 PolarHBondContact O-N 3.11Å; V38-L41 PolarHBondContact O-N 3.39Å; G39-L41 VanDerWaalsContact C-N 3.35Å; G39-L41 PolarHBondContact O-N 3.02Å; L41-L44 HydrophobicContact CD2-CD1 4.38Å; L41-G45 PolarHBondContact O-N 3.39Å
42M89.9Confident89Confident29 Ų2946.9 Ų46.914%0.14327%0.272CS..Hα-helixtrans-63.9-48.8174.4-69.8-170.9-71.100111.5L8 S9 F12 V38 G39 C40 L44 G45 F46L8-M42 HydrophobicContact CB-CG 3.45Å; L8-M42 VanDerWaalsContact CB-CG 3.45Å; L8-M42 HydrophobicContact CB-SD 4.04Å; L8-M42 HydrophobicContact CD1-CG 4.12Å; L8-M42 HydrophobicContact CG-CG 4.39Å; S9-M42 VanDerWaalsContact CA-SD 3.58Å; F12-M42 HydrophobicContact CB-CE 3.66Å; F12-M42 HydrophobicContact CD1-CE 4.25Å; F12-M42 HydrophobicContact CD2-CE 4.09Å; F12-M42 HydrophobicContact CG-CE 3.74Å; V38-M42 WeakPolarHBondContact O-CG 3.41Å; V38-M42 PolarHBondContact O-N 2.98Å; G39-M42 WeakPolarHBondContact O-CB 3.24Å; G39-M42 PolarHBondContact O-N 3.25Å; C40-M42 VanDerWaalsContact C-N 3.32Å; C40-M42 PolarHBondContact O-N 2.92Å; M42-L44 VanDerWaalsContact C-N 3.29Å; M42-L44 PolarHBondContact O-N 3.46Å; M42-G45 WeakPolarHBondContact O-CA 3.49Å; M42-G45 PolarHBondContact O-N 3.35Å; M42-F46 WeakPolarHBondContact O-CD2 3.24Å; M42-F46 PolarHBondContact O-N 2.9Å
43V89.8Confident89.1Confident45 Ų4548.9 Ų48.927%0.27328%0.282SS..Hα-helixtrans-64.2-36.9-179.9-178.30000111.2G39 C40 G45 F46 G47 G48 L51G39-V43 WeakPolarHBondContact O-CG2 3.2Å; G39-V43 PolarHBondContact O-N 3.43Å; C40-V43 PolarHBondContact O-N 3.43Å; V43-G45 VanDerWaalsContact C-N 3.31Å; V43-G45 PolarHBondContact O-N 2.9Å; V43-F46 PolarHBondContact O-N 2.89Å; V43-G47 PolarHBondContact O-N 3.44Å; V43-G48 WeakPolarHBondContact CG1-O 3.23Å; V43-G48 PolarHBondContact O-N 2.96Å; V43-L51 HydrophobicContact CG1-CB 4.43Å; V43-L51 HydrophobicContact CG1-CD2 4.15Å
44L88.2Confident89.2Confident70 Ų7049.6 Ų49.637%0.36629%0.285SS..Hα-helixtrans-61.8-38.1171.3-77.2163.6000112.2C40 L41 M42 F46 G47C40-L44 WeakPolarHBondContact O-CB 3.47Å; C40-L44 WeakPolarHBondContact O-CD1 3.5Å; C40-L44 VanDerWaalsContact O-CG 3.3Å; C40-L44 WeakPolarHBondContact O-CG 3.34Å; C40-L44 PolarHBondContact O-N 2.79Å; L41-L44 HydrophobicContact CD2-CD1 4.38Å; M42-L44 VanDerWaalsContact C-N 3.29Å; M42-L44 PolarHBondContact O-N 3.46Å; L44-F46 PolarHBondContact O-N 3.27Å; L44-G47 PolarHBondContact O-N 2.94Å
45G84.9Confident89.1Confident21 Ų2147.7 Ų47.722%0.21627%0.274CS..Hα-helixtrans-60.1-30.4174.700000113.6Y4 L41 M42 V43 G47Y4-G45 PolarHBondContact OH-O 3.48Å; L41-G45 PolarHBondContact O-N 3.39Å; M42-G45 WeakPolarHBondContact O-CA 3.49Å; M42-G45 PolarHBondContact O-N 3.35Å; V43-G45 VanDerWaalsContact C-N 3.31Å; V43-G45 PolarHBondContact O-N 2.9Å; G45-G47 VanDerWaalsContact C-N 3.34Å
46F83.8Confident89Confident100 Ų10049.7 Ų49.744%0.43928%0.282SS..THydrogen-bonded Turntrans-89.38.6173.9-63.4-69.1000113.9I5 M42 V43 L44 L124 M125I5-F46 HydrophobicContact CD1-CD1 4.38Å; I5-F46 HydrophobicContact CD1-CE1 3.87Å; I5-F46 HydrophobicContact CD1-CE2 4.12Å; I5-F46 HydrophobicContact CD1-CZ 3.73Å; I5-F46 HydrophobicContact CG1-CZ 4.48Å; I5-F46 HydrophobicContact CG2-CZ 4.11Å; M42-F46 WeakPolarHBondContact O-CD2 3.24Å; M42-F46 PolarHBondContact O-N 2.9Å; V43-F46 PolarHBondContact O-N 2.89Å; L44-F46 PolarHBondContact O-N 3.27Å; F46-L124 WeakPolarHBondContact CD1-O 3.14Å; F46-L124 HydrophobicContact CE1-CD2 4.27Å; F46-L124 VanDerWaalsContact CE1-O 3.32Å; F46-L124 WeakPolarHBondContact CE1-O 3.42Å; F46-M125 HydrophobicContact CB-SD 4.4Å; F46-M125 HydrophobicContact CD1-SD 4.19Å
47G83.4Confident89Confident54 Ų5454.4 Ų54.456%0.55730%0.304SS*.THydrogen-bonded Turntrans83.44.5179.800000115.4V43 L44 G45 S49V43-G47 PolarHBondContact O-N 3.44Å; L44-G47 PolarHBondContact O-N 2.94Å; G45-G47 VanDerWaalsContact C-N 3.34Å; G47-S49 PolarHBondContact O-N 3Å; G47-S49 VanDerWaalsContact O-N 3.13Å
48G84.9Confident89Confident20 Ų2054.9 Ų54.921%0.20631%0.311CS..  trans-86.359.2-177.800000114.6V43 F50 L51 G52V43-G48 WeakPolarHBondContact CG1-O 3.23Å; V43-G48 PolarHBondContact O-N 2.96Å; G48-F50 PolarHBondContact O-N 3.01Å; G48-L51 PolarHBondContact O-N 3.13Å; G48-G52 PolarHBondContact O-N 3.16Å
49S86.1Confident88.8Confident47 Ų4759.9 Ų59.933%0.32933%0.329SS..Hα-helixtrans-57.7-48.8-17361.60000114.6G47 L53G47-S49 PolarHBondContact O-N 3Å; G47-S49 VanDerWaalsContact O-N 3.13Å; S49-L53 WeakPolarHBondContact O-CG 3.5Å; S49-L53 PolarHBondContact O-N 3.07Å; S49-L53 VanDerWaalsContact O-N 3.16Å
50F86.8Confident88.6Confident84 Ų8462.1 Ų62.137%0.36834%0.337SS..Hα-helixtrans-61.7-47.6-179.4179.7-95.3000112.1G48 L53 M54 V141G48-F50 PolarHBondContact O-N 3.01Å; F50-L53 PolarHBondContact O-N 3.17Å; F50-M54 HydrophobicContact CD1-CG 4.11Å; F50-M54 HydrophobicContact CD2-CG 4.47Å; F50-M54 HydrophobicContact CE1-CG 3.65Å; F50-M54 HydrophobicContact CE2-CG 4.07Å; F50-M54 HydrophobicContact CE2-SD 4.32Å; F50-M54 HydrophobicContact CG-CG 4.49Å; F50-M54 HydrophobicContact CZ-CG 3.64Å; F50-M54 HydrophobicContact CZ-SD 4.02Å; F50-M54 WeakPolarHBondContact O-CB 3.32Å; F50-M54 VanDerWaalsContact O-CG 3.27Å; F50-M54 WeakPolarHBondContact O-CG 3.33Å; F50-M54 PolarHBondContact O-N 3.04Å; F50-V141 HydrophobicContact CD1-CB 4.43Å; F50-V141 HydrophobicContact CD1-CG2 3.86Å; F50-V141 HydrophobicContact CE1-CB 4Å; F50-V141 HydrophobicContact CE1-CG1 3.72Å; F50-V141 HydrophobicContact CE1-CG2 3.73Å; F50-V141 HydrophobicContact CZ-CG1 4.16Å
51L88.4Confident88.5Confident101 Ų10163.8 Ų63.853%0.52936%0.356SS..Hα-helixtrans-69.7-40.4-175.1-164139.1000111.5V43 G48 L53 M54 V55V43-L51 HydrophobicContact CG1-CB 4.43Å; V43-L51 HydrophobicContact CG1-CD2 4.15Å; G48-L51 PolarHBondContact O-N 3.13Å; L51-L53 PolarHBondContact O-N 3.22Å; L51-M54 PolarHBondContact O-N 3.22Å; L51-V55 HydrophobicContact CD2-CG2 4.26Å; L51-V55 WeakPolarHBondContact O-CG2 3.27Å; L51-V55 PolarHBondContact O-N 3.28Å
52G89.6Confident88.3Confident0 Ų062.5 Ų62.50%036%0.358CS..Hα-helixtrans-58.8-47.2174.600000112.4C40 G48 V55 F56C40-G52 PolarHBondContact SG-O 3.2Å; G48-G52 PolarHBondContact O-N 3.16Å; G52-V55 PolarHBondContact O-N 2.96Å; G52-F56 PolarHBondContact O-N 3.16Å
53L89.7Confident88.2Confident91 Ų9162.3 Ų62.348%0.47636%0.357SS..Hα-helixtrans-65.6-41.2178.5-70.4173.7000112.6S49 F50 L51 F56 L57S49-L53 WeakPolarHBondContact O-CG 3.5Å; S49-L53 PolarHBondContact O-N 3.07Å; S49-L53 VanDerWaalsContact O-N 3.16Å; F50-L53 PolarHBondContact O-N 3.17Å; L51-L53 PolarHBondContact O-N 3.22Å; L53-F56 PolarHBondContact O-N 3.33Å; L53-L57 WeakPolarHBondContact O-CB 3.49Å; L53-L57 VanDerWaalsContact O-CG 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.28Å; L53-L57 PolarHBondContact O-N 2.98Å
54M92Very high88Confident76 Ų7666.4 Ų66.437%0.37438%0.377SS..Hα-helixtrans-62.5-43.5177.5-73.8-63.1-68.600112F50 L51 L57 I58F50-M54 HydrophobicContact CD1-CG 4.11Å; F50-M54 HydrophobicContact CD2-CG 4.47Å; F50-M54 HydrophobicContact CE1-CG 3.65Å; F50-M54 HydrophobicContact CE2-CG 4.07Å; F50-M54 HydrophobicContact CE2-SD 4.32Å; F50-M54 HydrophobicContact CG-CG 4.49Å; F50-M54 HydrophobicContact CZ-CG 3.64Å; F50-M54 HydrophobicContact CZ-SD 4.02Å; F50-M54 WeakPolarHBondContact O-CB 3.32Å; F50-M54 VanDerWaalsContact O-CG 3.27Å; F50-M54 WeakPolarHBondContact O-CG 3.33Å; F50-M54 PolarHBondContact O-N 3.04Å; L51-M54 PolarHBondContact O-N 3.22Å; M54-L57 PolarHBondContact O-N 3.21Å; M54-I58 HydrophobicContact CE-CD1 4.38Å; M54-I58 WeakPolarHBondContact O-CB 3.39Å; M54-I58 VanDerWaalsContact O-CG1 3.26Å; M54-I58 WeakPolarHBondContact O-CG1 3.36Å; M54-I58 PolarHBondContact O-N 3.36Å
55V90.1Very high88Confident53 Ų5368 Ų6832%0.32139%0.389SS..Hα-helixtrans-58.6-50173.7171.60000109.7L51 G52 L57 I58 Y59L51-V55 HydrophobicContact CD2-CG2 4.26Å; L51-V55 WeakPolarHBondContact O-CG2 3.27Å; L51-V55 PolarHBondContact O-N 3.28Å; G52-V55 PolarHBondContact O-N 2.96Å; V55-L57 VanDerWaalsContact C-N 3.35Å; V55-L57 PolarHBondContact O-N 3.26Å; V55-I58 PolarHBondContact O-N 3.41Å; V55-Y59 HydrophobicContact CG1-CD2 3.71Å; V55-Y59 HydrophobicContact CG1-CE2 3.9Å; V55-Y59 WeakPolarHBondContact O-CB 3.48Å; V55-Y59 VanDerWaalsContact O-CD2 3.28Å; V55-Y59 WeakPolarHBondContact O-CD2 3.39Å; V55-Y59 PolarHBondContact O-N 3.09Å
56F89.7Confident88Confident47 Ų4770 Ų7021%0.20640%0.397CS..Hα-helixtrans-59.5-43.4-179.1-174.3-119.1000113F37 C40 G52 L53 L60F37-F56 HydrophobicContact CB-CD2 4.32Å; F37-F56 HydrophobicContact CB-CE2 3.8Å; F37-F56 HydrophobicContact CD2-CE2 4.01Å; F37-F56 HydrophobicContact CD2-CZ 4.06Å; F37-F56 HydrophobicContact CG-CE2 4.4Å; C40-F56 HydrophobicContact CB-CB 4.14Å; G52-F56 PolarHBondContact O-N 3.16Å; L53-F56 PolarHBondContact O-N 3.33Å; F56-L60 HydrophobicContact CD1-CD1 3.85Å; F56-L60 HydrophobicContact CD2-CD1 4.41Å; F56-L60 HydrophobicContact CD2-CG 4.37Å; F56-L60 HydrophobicContact CE1-CD1 3.35Å; F56-L60 HydrophobicContact CE1-CG 4.27Å; F56-L60 HydrophobicContact CE2-CD1 3.97Å; F56-L60 HydrophobicContact CE2-CD2 4.41Å; F56-L60 HydrophobicContact CE2-CG 4.01Å; F56-L60 HydrophobicContact CG-CD1 4.36Å; F56-L60 HydrophobicContact CZ-CD1 3.42Å; F56-L60 VanDerWaalsContact CZ-CD1 3.42Å; F56-L60 HydrophobicContact CZ-CD2 4.37Å; F56-L60 HydrophobicContact CZ-CG 3.98Å; F56-L60 WeakPolarHBondContact O-CB 3.31Å; F56-L60 WeakPolarHBondContact O-CG 3.37Å; F56-L60 PolarHBondContact O-N 3.04Å
57L91.3Very high87.9Confident106 Ų10670 Ų7056%0.55540%0.397SS*.Hα-helixtrans-67.6-44.7179.8-71.8171000112.7L53 M54 V55 L60 G61L53-L57 WeakPolarHBondContact O-CB 3.49Å; L53-L57 VanDerWaalsContact O-CG 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.28Å; L53-L57 PolarHBondContact O-N 2.98Å; M54-L57 PolarHBondContact O-N 3.21Å; V55-L57 VanDerWaalsContact C-N 3.35Å; V55-L57 PolarHBondContact O-N 3.26Å; L57-L60 PolarHBondContact O-N 3.38Å; L57-G61 PolarHBondContact O-N 2.99Å
58I91.9Very high87.9Confident113 Ų11369 Ų6958%0.57939%0.387SS*.Hα-helixtrans-64.9-43.2179.2-67167.7000110M54 V55 G61 G62M54-I58 HydrophobicContact CE-CD1 4.38Å; M54-I58 WeakPolarHBondContact O-CB 3.39Å; M54-I58 VanDerWaalsContact O-CG1 3.26Å; M54-I58 WeakPolarHBondContact O-CG1 3.36Å; M54-I58 PolarHBondContact O-N 3.36Å; V55-I58 PolarHBondContact O-N 3.41Å; I58-G61 PolarHBondContact O-N 3.26Å; I58-G62 PolarHBondContact O-N 2.85Å
59Y88.9Confident87.9Confident119 Ų11974.9 Ų74.947%0.46740%0.404SS..Hα-helixtrans-65.6-45.2177.1-89.7-94.1000111.9L32 V55 G61 G62 M63L32-Y59 HydrophobicContact CD2-CE1 4.38Å; V55-Y59 HydrophobicContact CG1-CD2 3.71Å; V55-Y59 HydrophobicContact CG1-CE2 3.9Å; V55-Y59 WeakPolarHBondContact O-CB 3.48Å; V55-Y59 VanDerWaalsContact O-CD2 3.28Å; V55-Y59 WeakPolarHBondContact O-CD2 3.39Å; V55-Y59 PolarHBondContact O-N 3.09Å; Y59-G61 VanDerWaalsContact C-N 3.34Å; Y59-G61 PolarHBondContact O-N 2.96Å; Y59-G62 PolarHBondContact O-N 3.18Å; Y59-M63 WeakPolarHBondContact O-CB 3.06Å; Y59-M63 VanDerWaalsContact O-CG 3.24Å; Y59-M63 WeakPolarHBondContact O-CG 3.28Å; Y59-M63 PolarHBondContact O-N 2.91Å
60L88.1Confident87.7Confident59 Ų5973.3 Ų73.331%0.30939%0.392SS..Hα-helixtrans-58.5-45.6174.8-83.1179.2000112.1I33 F56 L57 M63 L64I33-L60 HydrophobicContact CB-CD2 4.49Å; I33-L60 HydrophobicContact CD1-CD2 4.26Å; I33-L60 HydrophobicContact CG1-CD2 3.99Å; I33-L60 HydrophobicContact CG2-CD2 3.79Å; F56-L60 HydrophobicContact CD1-CD1 3.85Å; F56-L60 HydrophobicContact CD2-CD1 4.41Å; F56-L60 HydrophobicContact CD2-CG 4.37Å; F56-L60 HydrophobicContact CE1-CD1 3.35Å; F56-L60 HydrophobicContact CE1-CG 4.27Å; F56-L60 HydrophobicContact CE2-CD1 3.97Å; F56-L60 HydrophobicContact CE2-CD2 4.41Å; F56-L60 HydrophobicContact CE2-CG 4.01Å; F56-L60 HydrophobicContact CG-CD1 4.36Å; F56-L60 HydrophobicContact CZ-CD1 3.42Å; F56-L60 VanDerWaalsContact CZ-CD1 3.42Å; F56-L60 HydrophobicContact CZ-CD2 4.37Å; F56-L60 HydrophobicContact CZ-CG 3.98Å; F56-L60 WeakPolarHBondContact O-CB 3.31Å; F56-L60 WeakPolarHBondContact O-CG 3.37Å; F56-L60 PolarHBondContact O-N 3.04Å; L57-L60 PolarHBondContact O-N 3.38Å; L60-M63 PolarHBondContact O-N 2.95Å; L60-L64 WeakPolarHBondContact O-CB 3.36Å; L60-L64 PolarHBondContact O-N 3.42Å
61G89.4Confident87.2Confident41 Ų4172.1 Ų72.142%0.42339%0.392SS..Hα-helixtrans-61.5-46.217800000112.3L57 I58 Y59 L64 V65L57-G61 PolarHBondContact O-N 2.99Å; I58-G61 PolarHBondContact O-N 3.26Å; Y59-G61 VanDerWaalsContact C-N 3.34Å; Y59-G61 PolarHBondContact O-N 2.96Å; G61-L64 PolarHBondContact O-N 3.45Å; G61-V65 PolarHBondContact O-N 3.03Å
62G88.1Confident86.8Confident37 Ų3771 Ų7138%0.38140%0.398SS..Hα-helixtrans-62.3-45.8176.800000112.5I58 Y59 L64 V65 V66I58-G62 PolarHBondContact O-N 2.85Å; Y59-G62 PolarHBondContact O-N 3.18Å; G62-L64 VanDerWaalsContact C-N 3.33Å; G62-L64 PolarHBondContact O-N 3.25Å; G62-V65 PolarHBondContact O-N 3.32Å; G62-V66 WeakPolarHBondContact O-CG2 3.41Å; G62-V66 PolarHBondContact O-N 3.01Å
63M87.8Confident86.1Confident24 Ų2477.5 Ų77.512%0.11843%0.429CS..Hα-helixtrans-68.6-29.7-178.7-64.9-42.3-68.700113.3L32 I33 Y59 L60 V65 V66 F67L32-M63 HydrophobicContact CB-CE 3.93Å; L32-M63 HydrophobicContact CB-CG 4.02Å; L32-M63 HydrophobicContact CB-SD 4.07Å; L32-M63 HydrophobicContact CD1-CE 3.29Å; L32-M63 HydrophobicContact CD1-SD 3.53Å; L32-M63 VanDerWaalsContact CD1-SD 3.53Å; L32-M63 HydrophobicContact CG-CE 4.2Å; L32-M63 HydrophobicContact CG-SD 4.35Å; I33-M63 HydrophobicContact CG1-CB 4.42Å; Y59-M63 WeakPolarHBondContact O-CB 3.06Å; Y59-M63 VanDerWaalsContact O-CG 3.24Å; Y59-M63 WeakPolarHBondContact O-CG 3.28Å; Y59-M63 PolarHBondContact O-N 2.91Å; L60-M63 PolarHBondContact O-N 2.95Å; M63-V65 VanDerWaalsContact C-N 3.35Å; M63-V66 HydrophobicContact CE-CB 4.48Å; M63-V66 HydrophobicContact CE-CG1 4.43Å; M63-V66 PolarHBondContact O-N 3.06Å; M63-F67 VanDerWaalsContact O-CB 3.31Å; M63-F67 WeakPolarHBondContact O-CB 3.33Å; M63-F67 PolarHBondContact O-N 3.11Å
64L84.1Confident85.2Confident132 Ų13275.7 Ų75.769%0.69143%0.428SS*.Hα-helixtrans-62.8-42.5172.9-170.9153.5000111.4L60 G61 G62 F67 G68L60-L64 WeakPolarHBondContact O-CB 3.36Å; L60-L64 PolarHBondContact O-N 3.42Å; G61-L64 PolarHBondContact O-N 3.45Å; G62-L64 VanDerWaalsContact C-N 3.33Å; G62-L64 PolarHBondContact O-N 3.25Å; L64-F67 PolarHBondContact O-N 3.23Å; L64-G68 PolarHBondContact O-N 3.08Å
65V88.6Confident84.2Confident102 Ų10276.9 Ų76.962%0.61844%0.439SS*.Hα-helixtrans-67-44.8176.9178.90000111G61 G62 M63 F67 G68 Y69G61-V65 PolarHBondContact O-N 3.03Å; G62-V65 PolarHBondContact O-N 3.32Å; M63-V65 VanDerWaalsContact C-N 3.35Å; V65-F67 VanDerWaalsContact C-N 3.32Å; V65-F67 PolarHBondContact O-N 3.26Å; V65-G68 PolarHBondContact O-N 3.45Å; V65-Y69 PolarHBondContact O-N 3Å
66V86.1Confident83.4Confident65 Ų6581.1 Ų81.139%0.39446%0.456SS..Hα-helixtrans-61.8-41.4177.2174.80000111G62 M63 Y69 T70G62-V66 WeakPolarHBondContact O-CG2 3.41Å; G62-V66 PolarHBondContact O-N 3.01Å; M63-V66 HydrophobicContact CE-CB 4.48Å; M63-V66 HydrophobicContact CE-CG1 4.43Å; M63-V66 PolarHBondContact O-N 3.06Å; V66-Y69 PolarHBondContact O-N 3.31Å; V66-T70 HydrophobicContact CG1-CG2 4.07Å; V66-T70 WeakPolarHBondContact O-CB 3.35Å; V66-T70 WeakPolarHBondContact O-CG2 3.46Å; V66-T70 PolarHBondContact O-N 3.36Å; V66-T70 PolarHBondContact O-OG1 2.87Å
67F81.1Confident82.5Confident98 Ų9887.6 Ų87.643%0.4349%0.486SS..Hα-helixtrans-58.3-51.2173.9-178.3-99.6000110.8I26 M63 L64 V65 Y69 T70 T71I26-F67 HydrophobicContact CB-CE2 4.47Å; I26-F67 HydrophobicContact CG1-CD2 4.39Å; I26-F67 HydrophobicContact CG1-CE2 3.99Å; I26-F67 HydrophobicContact CG2-CE2 4.09Å; M63-F67 VanDerWaalsContact O-CB 3.31Å; M63-F67 WeakPolarHBondContact O-CB 3.33Å; M63-F67 PolarHBondContact O-N 3.11Å; L64-F67 PolarHBondContact O-N 3.23Å; V65-F67 VanDerWaalsContact C-N 3.32Å; V65-F67 PolarHBondContact O-N 3.26Å; F67-Y69 VanDerWaalsContact C-N 3.34Å; F67-Y69 PolarHBondContact O-N 3.39Å; F67-T70 PolarHBondContact O-N 2.99Å; F67-T70 PolarHBondContact O-OG1 3.46Å; F67-T71 HydrophobicContact CD1-CG2 4.18Å; F67-T71 HydrophobicContact CD2-CG2 4.36Å; F67-T71 HydrophobicContact CE1-CG2 3.81Å; F67-T71 HydrophobicContact CE2-CG2 4Å; F67-T71 HydrophobicContact CG-CG2 4.45Å; F67-T71 HydrophobicContact CZ-CG2 3.71Å; F67-T71 WeakPolarHBondContact O-CG2 3.44Å; F67-T71 PolarHBondContact O-N 3.38Å; F67-T71 PolarHBondContact O-OG1 3.26Å
68G83.3Confident81.6Confident34 Ų3491.8 Ų91.835%0.35150%0.496SS..Hα-helixtrans-54.8-47.2175.600000113L64 V65 T70 T71 A72L64-G68 PolarHBondContact O-N 3.08Å; V65-G68 PolarHBondContact O-N 3.45Å; G68-T70 PolarHBondContact O-N 3.24Å; G68-T71 PolarHBondContact O-N 3.3Å; G68-T71 PolarHBondContact O-OG1 2.91Å; G68-A72 WeakPolarHBondContact O-CB 3.49Å; G68-A72 PolarHBondContact O-N 3.48Å; G68-A72 VanDerWaalsContact O-N 3.17Å
69Y84.5Confident80.8Confident144 Ų14489.2 Ų89.257%0.56549%0.487SS*.Hα-helixtrans-61.5-45.4178.4-174.6-96.7000112.5V65 V66 F67 A72 M73V65-Y69 PolarHBondContact O-N 3Å; V66-Y69 PolarHBondContact O-N 3.31Å; F67-Y69 VanDerWaalsContact C-N 3.34Å; F67-Y69 PolarHBondContact O-N 3.39Å; Y69-A72 PolarHBondContact O-N 3.44Å; Y69-A72 VanDerWaalsContact O-N 3.17Å; Y69-M73 HydrophobicContact CD2-SD 4.27Å; Y69-M73 HydrophobicContact CE1-CB 4.44Å; Y69-M73 HydrophobicContact CE1-SD 4.22Å; Y69-M73 HydrophobicContact CE2-CE 3.95Å; Y69-M73 HydrophobicContact CE2-CG 4.28Å; Y69-M73 HydrophobicContact CE2-SD 3.41Å; Y69-M73 WeakPolarHBondContact CE2-SD 3.37Å; Y69-M73 PolarHBondContact O-N 3.08Å; Y69-M73 PolarHBondContact OH-SD 2.92Å
70T81.4Confident80.3Confident14 Ų1488 Ų889%0.08649%0.485CS..Hα-helixtrans-70.1-36.3-17859.10000112.1P25 V66 F67 G68 A72 A74 T75P25-T70 HydrophobicContact CB-CG2 3.29Å; P25-T70 HydrophobicContact CG-CG2 3.72Å; V66-T70 HydrophobicContact CG1-CG2 4.07Å; V66-T70 WeakPolarHBondContact O-CB 3.35Å; V66-T70 WeakPolarHBondContact O-CG2 3.46Å; V66-T70 PolarHBondContact O-N 3.36Å; V66-T70 PolarHBondContact O-OG1 2.87Å; F67-T70 PolarHBondContact O-N 2.99Å; F67-T70 PolarHBondContact O-OG1 3.46Å; G68-T70 PolarHBondContact O-N 3.24Å; T70-A72 PolarHBondContact O-N 3.23Å; T70-A74 CarbonylContact O-C 3.33Å; T70-A74 WeakPolarHBondContact O-CA 3.1Å; T70-A74 PolarHBondContact O-N 2.92Å; T70-T75 PolarHBondContact O-N 3.18Å
71T76.7Confident80Confident59 Ų5987.3 Ų87.336%0.36248%0.484SS..Hα-helixtrans-66.6-23172.159.20000113.6F67 G68 T75F67-T71 HydrophobicContact CD1-CG2 4.18Å; F67-T71 HydrophobicContact CD2-CG2 4.36Å; F67-T71 HydrophobicContact CE1-CG2 3.81Å; F67-T71 HydrophobicContact CE2-CG2 4Å; F67-T71 HydrophobicContact CG-CG2 4.45Å; F67-T71 HydrophobicContact CZ-CG2 3.71Å; F67-T71 WeakPolarHBondContact O-CG2 3.44Å; F67-T71 PolarHBondContact O-N 3.38Å; F67-T71 PolarHBondContact O-OG1 3.26Å; G68-T71 PolarHBondContact O-N 3.3Å; G68-T71 PolarHBondContact O-OG1 2.91Å; T71-T75 WeakPolarHBondContact O-CG2 3.28Å
72A79.6Confident79.4Confident78 Ų7889.2 Ų89.265%0.64548%0.478SS*.Hα-helixtrans-92.2-37.3179.700000112.9G68 Y69 T70G68-A72 WeakPolarHBondContact O-CB 3.49Å; G68-A72 PolarHBondContact O-N 3.48Å; G68-A72 VanDerWaalsContact O-N 3.17Å; Y69-A72 PolarHBondContact O-N 3.44Å; Y69-A72 VanDerWaalsContact O-N 3.17Å; T70-A72 PolarHBondContact O-N 3.23Å
73M76.8Confident78.9Confident135 Ų13589.8 Ų89.867%0.66548%0.484SS*.Hα-helixtrans-115.5-20.4-170.5-66-159.7176.100115.4Y69Y69-M73 HydrophobicContact CD2-SD 4.27Å; Y69-M73 HydrophobicContact CE1-CB 4.44Å; Y69-M73 HydrophobicContact CE1-SD 4.22Å; Y69-M73 HydrophobicContact CE2-CE 3.95Å; Y69-M73 HydrophobicContact CE2-CG 4.28Å; Y69-M73 HydrophobicContact CE2-SD 3.41Å; Y69-M73 WeakPolarHBondContact CE2-SD 3.37Å; Y69-M73 PolarHBondContact O-N 3.08Å; Y69-M73 PolarHBondContact OH-SD 2.92Å
74A69.4Low78.5Confident53 Ų5392 Ų9244%0.43850%0.502SS..  trans-126.427.5-169.700000113T70 E76T70-A74 CarbonylContact O-C 3.33Å; T70-A74 WeakPolarHBondContact O-CA 3.1Å; T70-A74 PolarHBondContact O-N 2.92Å; A74-E76 PolarHBondContact O-N 3.15Å
75T70.7Confident78.5Confident101 Ų10188.6 Ų88.662%0.6249%0.485SS*.  trans-78.7104.517553.50000110.3T70 T71T70-T75 PolarHBondContact O-N 3.18Å; T71-T75 WeakPolarHBondContact O-CG2 3.28Å
76E72.9Confident78.3Confident142 Ų14293.9 Ų93.966%0.66449%0.494SS*.  trans-86.9150.4165.6-61.4-178.1178.800110.1A74 Y78A74-E76 PolarHBondContact O-N 3.15Å; E76-Y78 PolarHBondContact O-N 3.23Å
77E71.3Confident78.3Confident183 Ų18396.1 Ų96.186%0.85550%0.503SS*.SBendtrans-60.7-26.8-178.5-70.8-175.1166.900113
78Y72.6Confident78.5Confident194 Ų19492.4 Ų92.476%0.76149%0.487SS*.SBendtrans-129.894.7177-64.2-75.6000110.5E76 E80E76-Y78 PolarHBondContact O-N 3.23Å; Y78-E80 PolarHBondContact O-N 2.91Å
79P76.4Confident78.7Confident59 Ų5994 Ų9438%0.38349%0.487SS..  trans-63.7124.917924.7-32.5000110.2T81P79-T81 WeakPolarHBondContact O-CG2 3.32Å; P79-T81 PolarHBondContact O-N 3.27Å
80E76.6Confident78.8Confident93 Ų9388.6 Ų88.644%0.43548%0.476SS..  trans-60.2124.5173.7-64.9-164.7159.800109.8S24 Y78S24-E80 WeakPolarHBondContact CB-O 3.36Å; S24-E80 PolarHBondContact N-O 2.99Å; S24-E80 PolarHBondContact OG-O 2.87Å; Y78-E80 PolarHBondContact O-N 2.91Å
81T82.9Confident79.2Confident45 Ų4594 Ų9428%0.27650%0.499SS..  trans-106.1162.4176.672.80000109Y27 P79 G83 S84Y27-T81 HydrophobicContact CD2-CG2 4.44Å; Y27-T81 HydrophobicContact CE2-CG2 3.59Å; P79-T81 WeakPolarHBondContact O-CG2 3.32Å; P79-T81 PolarHBondContact O-N 3.27Å; T81-G83 PolarHBondContact O-N 3.4Å; T81-G83 PolarHBondContact OG1-N 3.39Å; T81-S84 PolarHBondContact N-OG 3.49Å; T81-S84 PolarHBondContact O-N 3.05Å; T81-S84 PolarHBondContact O-OG 3.49Å; T81-S84 VanDerWaalsContact O-OG 3.11Å; T81-S84 PolarHBondContact OG1-N 3.43Å; T81-S84 VanDerWaalsContact OG1-N 3.08Å
82W76.6Confident79.7Confident81 Ų8193.7 Ų93.731%0.30749%0.494SS..THydrogen-bonded Turntrans-56.7-22.9175.3-63.1-61000113.8G18 P23 Y27 L92G18-W82 PolarHBondContact O-NE1 3.3Å; P23-W82 HydrophobicContact CG-CZ2 4.32Å; Y27-W82 HydrophobicContact CD1-CZ3 4.25Å; W82-L92 HydrophobicContact CG-CD1 4.46Å
83G77.9Confident80.1Confident49 Ų4993.3 Ų93.351%0.50548%0.484SS..THydrogen-bonded Turntrans-103.8-2.9178.300000115.3T81 N85T81-G83 PolarHBondContact O-N 3.4Å; T81-G83 PolarHBondContact OG1-N 3.39Å; G83-N85 VanDerWaalsContact C-N 3.32Å
84S80.1Confident80.7Confident71 Ų7191.7 Ų91.750%0.49748%0.477SS..THydrogen-bonded Turntrans-71.8-31.4-17968.40000111.9T81T81-S84 PolarHBondContact N-OG 3.49Å; T81-S84 PolarHBondContact O-N 3.05Å; T81-S84 PolarHBondContact O-OG 3.49Å; T81-S84 VanDerWaalsContact O-OG 3.11Å; T81-S84 PolarHBondContact OG1-N 3.43Å; T81-S84 VanDerWaalsContact OG1-N 3.08Å
85N83.6Confident81.6Confident60 Ų6090.1 Ų90.132%0.32147%0.466SS..SBendtrans-114.9119.1178.3-166.2-10.8000110.2G83 L87 I88 L89G83-N85 VanDerWaalsContact C-N 3.32Å; N85-L87 PolarHBondContact O-N 3.46Å; N85-L87 VanDerWaalsContact O-N 3.14Å; N85-L87 PolarHBondContact OD1-N 2.75Å; N85-I88 HydrophobicContact CB-CB 4.26Å; N85-I88 HydrophobicContact CB-CD1 3.81Å; N85-I88 HydrophobicContact CB-CG1 3.89Å; N85-I88 PolarHBondContact O-N 2.93Å; N85-L89 PolarHBondContact O-N 2.92Å; N85-L89 VanDerWaalsContact O-N 3.15Å
86W84.1Confident82.4Confident213 Ų21387.5 Ų87.581%0.80745%0.45SS*.Hα-helixtrans-57.4-30.3178.8-168.9-95.3000112.3G90W86-G90 PolarHBondContact O-N 2.83Å
87L86.1Confident83.2Confident113 Ų11385.7 Ų85.759%0.59244%0.444SS*.Hα-helixtrans-64.6-45.1174.8-74154.4000112.1N85 G90 F91N85-L87 PolarHBondContact O-N 3.46Å; N85-L87 VanDerWaalsContact O-N 3.14Å; N85-L87 PolarHBondContact OD1-N 2.75Å; L87-G90 PolarHBondContact O-N 3.37Å; L87-F91 WeakPolarHBondContact O-CD2 3.35Å; L87-F91 PolarHBondContact O-N 3.47Å
88I86Confident84Confident19 Ų1981.7 Ų81.710%0.09743%0.426CS..Hα-helixtrans-64.9-45.1-180-64.4176.1000110L21 N85 G90 F91 L92L21-I88 HydrophobicContact CB-CG2 4.13Å; L21-I88 HydrophobicContact CD1-CG2 4.26Å; N85-I88 HydrophobicContact CB-CB 4.26Å; N85-I88 HydrophobicContact CB-CD1 3.81Å; N85-I88 HydrophobicContact CB-CG1 3.89Å; N85-I88 PolarHBondContact O-N 2.93Å; I88-G90 VanDerWaalsContact C-N 3.31Å; I88-G90 PolarHBondContact O-N 3.13Å; I88-F91 PolarHBondContact O-N 3.24Å; I88-L92 PolarHBondContact O-N 3.06Å
89L86.1Confident84.6Confident67 Ų6773.9 Ų73.935%0.35140%0.397SS..Hα-helixtrans-62.4-40.8175.9-168146000111.3N85 L92 V93N85-L89 PolarHBondContact O-N 2.92Å; N85-L89 VanDerWaalsContact O-N 3.15Å; L89-L92 PolarHBondContact O-N 3.45Å; L89-V93 HydrophobicContact CD2-CG2 4.1Å; L89-V93 WeakPolarHBondContact O-CG2 3.37Å; L89-V93 PolarHBondContact O-N 2.88Å
90G87.8Confident85Confident32 Ų3275.4 Ų75.433%0.3341%0.405SS..Hα-helixtrans-59.8-46.2174.500000112.7W86 L87 I88 V93 L94W86-G90 PolarHBondContact O-N 2.83Å; L87-G90 PolarHBondContact O-N 3.37Å; I88-G90 VanDerWaalsContact C-N 3.31Å; I88-G90 PolarHBondContact O-N 3.13Å; G90-V93 PolarHBondContact O-N 3.14Å; G90-L94 WeakPolarHBondContact O-CB 3.31Å; G90-L94 PolarHBondContact O-N 2.92Å
91F88.3Confident85.4Confident128 Ų12877 Ų7756%0.56141%0.41SS*.Hα-helixtrans-66.6-35.9176.4-71.3-53.5000112.9L21 L87 I88 G95L21-F91 HydrophobicContact CD2-CB 3.68Å; L87-F91 WeakPolarHBondContact O-CD2 3.35Å; L87-F91 PolarHBondContact O-N 3.47Å; I88-F91 PolarHBondContact O-N 3.24Å; F91-G95 PolarHBondContact O-N 3.29Å
92L87.6Confident85.5Confident52 Ų5278.4 Ų78.427%0.27242%0.419SS..Hα-helixtrans-62-52.4174.8-168.1151.8000111L21 W82 I88 L89 L94 G95 V96L21-L92 HydrophobicContact CD1-CB 3.52Å; L21-L92 HydrophobicContact CD1-CD1 3.86Å; L21-L92 HydrophobicContact CD1-CG 3.92Å; W82-L92 HydrophobicContact CG-CD1 4.46Å; I88-L92 PolarHBondContact O-N 3.06Å; L89-L92 PolarHBondContact O-N 3.45Å; L92-L94 VanDerWaalsContact C-N 3.34Å; L92-L94 PolarHBondContact O-N 3.15Å; L92-G95 PolarHBondContact O-N 3.17Å; L92-V96 HydrophobicContact CD2-CG2 4.37Å; L92-V96 WeakPolarHBondContact O-CG2 3.49Å; L92-V96 PolarHBondContact O-N 3.01Å
93V88.8Confident85.7Confident69 Ų6976.6 Ų76.642%0.41841%0.414SS..Hα-helixtrans-62.6-43.9-179.51730000110.7L89 G90 G95 V96 I97L89-V93 HydrophobicContact CD2-CG2 4.1Å; L89-V93 WeakPolarHBondContact O-CG2 3.37Å; L89-V93 PolarHBondContact O-N 2.88Å; G90-V93 PolarHBondContact O-N 3.14Å; V93-G95 VanDerWaalsContact C-N 3.34Å; V93-G95 PolarHBondContact O-N 3Å; V93-V96 PolarHBondContact O-N 2.93Å; V93-I97 HydrophobicContact CG1-CD1 3.7Å; V93-I97 HydrophobicContact CG1-CG1 4.44Å; V93-I97 VanDerWaalsContact O-CG1 3.26Å; V93-I97 WeakPolarHBondContact O-CG1 3.39Å; V93-I97 PolarHBondContact O-N 3.44Å
94L89.6Confident85.8Confident101 Ų10181.6 Ų81.653%0.52942%0.419SS..Hα-helixtrans-64.7-39.7177.9-163147.2000111.3G90 L92 I97 M98G90-L94 WeakPolarHBondContact O-CB 3.31Å; G90-L94 PolarHBondContact O-N 2.92Å; L92-L94 VanDerWaalsContact C-N 3.34Å; L92-L94 PolarHBondContact O-N 3.15Å; L94-I97 PolarHBondContact O-N 3.16Å; L94-M98 HydrophobicContact CD2-CG 3.7Å; L94-M98 HydrophobicContact CG-CG 4.48Å; L94-M98 WeakPolarHBondContact O-CB 3.36Å; L94-M98 WeakPolarHBondContact O-CG 2.93Å; L94-M98 PolarHBondContact O-N 2.96Å
95G88.1Confident85.9Confident20 Ų2079.3 Ų79.321%0.20641%0.405CS..Hα-helixtrans-58-48174.700000112.6F91 L92 V93 M98 E99F91-G95 PolarHBondContact O-N 3.29Å; L92-G95 PolarHBondContact O-N 3.17Å; V93-G95 VanDerWaalsContact C-N 3.34Å; V93-G95 PolarHBondContact O-N 3Å; G95-M98 PolarHBondContact O-N 3.27Å; G95-E99 PolarHBondContact O-N 2.9Å
96V87.9Confident85.5Confident47 Ų4780.1 Ų80.129%0.28541%0.409SS..Hα-helixtrans-64.9-42.2177.6177.60000111.6V14 L92 V93 M98 E99 V100V14-V96 HydrophobicContact CG2-CG2 4.24Å; L92-V96 HydrophobicContact CD2-CG2 4.37Å; L92-V96 WeakPolarHBondContact O-CG2 3.49Å; L92-V96 PolarHBondContact O-N 3.01Å; V93-V96 PolarHBondContact O-N 2.93Å; V96-M98 VanDerWaalsContact C-N 3.34Å; V96-M98 PolarHBondContact O-N 3.39Å; V96-E99 PolarHBondContact O-N 2.84Å; V96-V100 WeakPolarHBondContact O-CG2 3.49Å; V96-V100 PolarHBondContact O-N 3.22Å; V96-V100 VanDerWaalsContact O-N 3.08Å
97I90Very high85Confident103 Ų10371.9 Ų71.953%0.52838%0.382SS..Hα-helixtrans-63-43.1177.2-68.6166.3000110.7V93 L94 E99 V100 F101V93-I97 HydrophobicContact CG1-CD1 3.7Å; V93-I97 HydrophobicContact CG1-CG1 4.44Å; V93-I97 VanDerWaalsContact O-CG1 3.26Å; V93-I97 WeakPolarHBondContact O-CG1 3.39Å; V93-I97 PolarHBondContact O-N 3.44Å; L94-I97 PolarHBondContact O-N 3.16Å; I97-E99 VanDerWaalsContact C-N 3.34Å; I97-V100 PolarHBondContact O-N 3.49Å; I97-F101 VanDerWaalsContact O-CB 3.3Å; I97-F101 WeakPolarHBondContact O-CB 3.41Å; I97-F101 PolarHBondContact O-N 3.06Å
98M87.3Confident84.3Confident99 Ų9974.4 Ų74.449%0.48839%0.385SS..Hα-helixtrans-65-38.5178.2-70.6-63.6-76.800111.6L94 G95 V96 F101 V102L94-M98 HydrophobicContact CD2-CG 3.7Å; L94-M98 HydrophobicContact CG-CG 4.48Å; L94-M98 WeakPolarHBondContact O-CB 3.36Å; L94-M98 WeakPolarHBondContact O-CG 2.93Å; L94-M98 PolarHBondContact O-N 2.96Å; G95-M98 PolarHBondContact O-N 3.27Å; V96-M98 VanDerWaalsContact C-N 3.34Å; V96-M98 PolarHBondContact O-N 3.39Å; M98-F101 PolarHBondContact O-N 2.8Å; M98-V102 WeakPolarHBondContact O-CB 3.41Å; M98-V102 WeakPolarHBondContact O-CG2 3.42Å; M98-V102 PolarHBondContact O-N 3.5Å
99E84.4Confident83.4Confident30 Ų3082.2 Ų82.214%0.1441%0.414CS..Hα-helixtrans-59.8-50.5174.6-171.3-176.316500111.3L13 G95 V96 I97 F101 V102 I103L13-E99 WeakPolarHBondContact CB-OE1 3.41Å; L13-E99 VanDerWaalsContact CD1-OE1 3.22Å; L13-E99 WeakPolarHBondContact CD1-OE1 3.48Å; G95-E99 PolarHBondContact O-N 2.9Å; V96-E99 PolarHBondContact O-N 2.84Å; I97-E99 VanDerWaalsContact C-N 3.34Å; E99-F101 VanDerWaalsContact C-N 3.31Å; E99-F101 PolarHBondContact O-N 3.23Å; E99-V102 PolarHBondContact O-N 2.95Å; E99-I103 HydrophobicContact CG-CD1 4.17Å; E99-I103 VanDerWaalsContact O-CG1 3.29Å; E99-I103 WeakPolarHBondContact O-CG1 3.34Å; E99-I103 PolarHBondContact O-N 3.44Å
100V85.1Confident82Confident91 Ų9181.3 Ų81.355%0.55241%0.41SS*.Hα-helixtrans-62.3-40.6177.3176.50000111.4V96 I97 I103 Y104V96-V100 WeakPolarHBondContact O-CG2 3.49Å; V96-V100 PolarHBondContact O-N 3.22Å; V96-V100 VanDerWaalsContact O-N 3.08Å; I97-V100 PolarHBondContact O-N 3.49Å; V100-I103 PolarHBondContact O-N 2.93Å; V100-Y104 WeakPolarHBondContact O-CB 3.49Å; V100-Y104 PolarHBondContact O-N 3.23Å
101F85.9Confident80.3Confident127 Ų12788.9 Ų88.956%0.55744%0.437SS*.Hα-helixtrans-64.1-42.5177.7-177.8-97.8000111.8I97 M98 E99 Y104 A105I97-F101 VanDerWaalsContact O-CB 3.3Å; I97-F101 WeakPolarHBondContact O-CB 3.41Å; I97-F101 PolarHBondContact O-N 3.06Å; M98-F101 PolarHBondContact O-N 2.8Å; E99-F101 VanDerWaalsContact C-N 3.31Å; E99-F101 PolarHBondContact O-N 3.23Å; F101-Y104 PolarHBondContact O-N 3.29Å; F101-A105 HydrophobicContact CE1-CB 4.5Å; F101-A105 VanDerWaalsContact O-CB 3.25Å; F101-A105 WeakPolarHBondContact O-CB 3.4Å; F101-A105 PolarHBondContact O-N 3.21Å
102V83.7Confident78.5Confident74 Ų7488.4 Ų88.445%0.44844%0.444SS..Hα-helixtrans-63.3-45176.5168.30000110.5M98 E99 Y104 A105 L106M98-V102 WeakPolarHBondContact O-CB 3.41Å; M98-V102 WeakPolarHBondContact O-CG2 3.42Å; M98-V102 PolarHBondContact O-N 3.5Å; E99-V102 PolarHBondContact O-N 2.95Å; V102-Y104 VanDerWaalsContact C-N 3.35Å; V102-Y104 PolarHBondContact O-N 3.45Å; V102-A105 PolarHBondContact O-N 3.43Å; V102-L106 HydrophobicContact CG1-CD1 3.75Å; V102-L106 HydrophobicContact CG1-CG 4.22Å; V102-L106 VanDerWaalsContact O-CB 3.32Å; V102-L106 WeakPolarHBondContact O-CB 3.01Å; V102-L106 WeakPolarHBondContact O-CG 3.41Å; V102-L106 PolarHBondContact O-N 3.44Å
103I81.7Confident77Confident43 Ų4389 Ų8922%0.22146%0.462CS..Hα-helixtrans-58.5-48.8175.8-66.9163.4000110.1F6 E99 V100 L106 T107F6-I103 HydrophobicContact CZ-CD1 4.01Å; F6-I103 HydrophobicContact CZ-CG2 3.87Å; E99-I103 HydrophobicContact CG-CD1 4.17Å; E99-I103 VanDerWaalsContact O-CG1 3.29Å; E99-I103 WeakPolarHBondContact O-CG1 3.34Å; E99-I103 PolarHBondContact O-N 3.44Å; V100-I103 PolarHBondContact O-N 2.93Å; I103-L106 PolarHBondContact O-N 3.2Å; I103-T107 WeakPolarHBondContact O-CG2 3.35Å; I103-T107 PolarHBondContact O-N 2.93Å; I103-T107 PolarHBondContact O-OG1 3.24Å
104Y80.6Confident75.7Confident154 Ų15490.7 Ų90.760%0.60447%0.473SS*.Hα-helixtrans-63.1-44.8179.5-175.9-101.4000112.5V100 F101 V102 T107 Y108V100-Y104 WeakPolarHBondContact O-CB 3.49Å; V100-Y104 PolarHBondContact O-N 3.23Å; F101-Y104 PolarHBondContact O-N 3.29Å; V102-Y104 VanDerWaalsContact C-N 3.35Å; V102-Y104 PolarHBondContact O-N 3.45Å; Y104-T107 WeakPolarHBondContact CA-OG1 3.3Å; Y104-T107 PolarHBondContact O-N 3Å; Y104-T107 PolarHBondContact O-OG1 2.9Å; Y104-Y108 PolarHBondContact O-N 3.49Å
105A81.2Confident74.3Confident24 Ų2487.6 Ų87.620%0.19846%0.458CS..Hα-helixtrans-62.3-45.8177.700000111.2F101 V102 T107 Y108 Y109F101-A105 HydrophobicContact CE1-CB 4.5Å; F101-A105 VanDerWaalsContact O-CB 3.25Å; F101-A105 WeakPolarHBondContact O-CB 3.4Å; F101-A105 PolarHBondContact O-N 3.21Å; V102-A105 PolarHBondContact O-N 3.43Å; A105-T107 VanDerWaalsContact C-N 3.28Å; A105-T107 PolarHBondContact O-N 2.92Å; A105-Y108 PolarHBondContact O-N 2.99Å; A105-Y108 VanDerWaalsContact O-N 3.17Å; A105-Y109 VanDerWaalsContact O-CD2 3.23Å; A105-Y109 WeakPolarHBondContact O-CD2 3.22Å; A105-Y109 PolarHBondContact O-N 3.36Å
106L76.3Confident73Confident77 Ų7789 Ų8940%0.40347%0.465SS..Hα-helixtrans-56.1-46.6175.8-74.2171.1000110.1V102 I103 Y108 Y109 D110 V115V102-L106 HydrophobicContact CG1-CD1 3.75Å; V102-L106 HydrophobicContact CG1-CG 4.22Å; V102-L106 VanDerWaalsContact O-CB 3.32Å; V102-L106 WeakPolarHBondContact O-CB 3.01Å; V102-L106 WeakPolarHBondContact O-CG 3.41Å; V102-L106 PolarHBondContact O-N 3.44Å; I103-L106 PolarHBondContact O-N 3.2Å; L106-Y108 VanDerWaalsContact C-N 3.29Å; L106-Y108 PolarHBondContact O-N 3.46Å; L106-Y109 PolarHBondContact O-N 3.13Å; L106-D110 VanDerWaalsContact O-CB 3.25Å; L106-D110 WeakPolarHBondContact O-CB 3.41Å; L106-D110 PolarHBondContact O-N 3.37Å; L106-V115 HydrophobicContact CD1-CG2 4.42Å
107T72.6Confident71.5Confident39 Ų3990.6 Ų90.624%0.23947%0.471CS..Hα-helixtrans-69.1-24.4-178.660.60000114.4I103 Y104 A105 V115 L117I103-T107 WeakPolarHBondContact O-CG2 3.35Å; I103-T107 PolarHBondContact O-N 2.93Å; I103-T107 PolarHBondContact O-OG1 3.24Å; Y104-T107 WeakPolarHBondContact CA-OG1 3.3Å; Y104-T107 PolarHBondContact O-N 3Å; Y104-T107 PolarHBondContact O-OG1 2.9Å; A105-T107 VanDerWaalsContact C-N 3.28Å; A105-T107 PolarHBondContact O-N 2.92Å; T107-V115 HydrophobicContact CG2-CB 4.5Å; T107-V115 HydrophobicContact CG2-CG1 4.29Å; T107-L117 HydrophobicContact CG2-CD1 3.47Å; T107-L117 VanDerWaalsContact CG2-CD1 3.47Å; T107-L117 HydrophobicContact CG2-CD2 4.24Å; T107-L117 HydrophobicContact CG2-CG 3.5Å
108Y71.6Confident70Confident167 Ų16794.1 Ų94.166%0.65549%0.491SS*.Hα-helixtrans-82.6-35.7177.9-174.8-97.5000112.6Y104 A105 L106Y104-Y108 PolarHBondContact O-N 3.49Å; A105-Y108 PolarHBondContact O-N 2.99Å; A105-Y108 VanDerWaalsContact O-N 3.17Å; L106-Y108 VanDerWaalsContact C-N 3.29Å; L106-Y108 PolarHBondContact O-N 3.46Å
109Y67Low68.6Low183 Ų18390.4 Ų90.472%0.71848%0.478SS*.Hα-helixtrans-91.8-1.9179.4-71.4-70.7000113.6A105 L106 E111A105-Y109 VanDerWaalsContact O-CD2 3.23Å; A105-Y109 WeakPolarHBondContact O-CD2 3.22Å; A105-Y109 PolarHBondContact O-N 3.36Å; L106-Y109 PolarHBondContact O-N 3.13Å; Y109-E111 PolarHBondContact O-N 3.32Å; Y109-E111 VanDerWaalsContact O-N 3.13Å
110D56.1Low67.4Low47 Ų4790.7 Ų90.725%0.25148%0.48SS..  trans-76.5102.6-175-145.23.9000111.9L106 V112 G113 V114 V115L106-D110 VanDerWaalsContact O-CB 3.25Å; L106-D110 WeakPolarHBondContact O-CB 3.41Å; L106-D110 PolarHBondContact O-N 3.37Å; D110-V112 WeakPolarHBondContact OD1-CA 3.17Å; D110-V112 PolarHBondContact OD1-N 3.06Å; D110-G113 PolarHBondContact OD1-N 3.13Å; D110-G113 VanDerWaalsContact OD1-N 3.1Å; D110-G113 PolarHBondContact OD2-N 2.9Å; D110-V114 PolarHBondContact OD1-N 3.41Å; D110-V114 PolarHBondContact OD2-N 3.03Å; D110-V115 PolarHBondContact OD2-N 2.98Å
111E53.2Low66.1Low192 Ų19287.5 Ų87.590%0.89747%0.466SS*.SBendtrans-92.5-4.4155.1-65.8-159.617400111.7Y109Y109-E111 PolarHBondContact O-N 3.32Å; Y109-E111 VanDerWaalsContact O-N 3.13Å
112V50.5Low64.9Low117 Ų11788.5 Ų88.571%0.70948%0.477SS*.SBendtrans-132.943.6-163.4-157.70000112.3D110 V114D110-V112 WeakPolarHBondContact OD1-CA 3.17Å; D110-V112 PolarHBondContact OD1-N 3.06Å; V112-V114 WeakPolarHBondContact O-CG2 3.37Å; V112-V114 PolarHBondContact O-N 2.92Å
113G56Low63.8Low64 Ų6492.3 Ų92.366%0.6648%0.483SS*.  trans47.625.6160.400000118D110D110-G113 PolarHBondContact OD1-N 3.13Å; D110-G113 VanDerWaalsContact OD1-N 3.1Å; D110-G113 PolarHBondContact OD2-N 2.9Å
114V60.8Low63Low105 Ų10591.9 Ų91.964%0.63648%0.481SS*.SBendtrans-72.9-37.5-179.3-175.30000110D110 V112D110-V114 PolarHBondContact OD1-N 3.41Å; D110-V114 PolarHBondContact OD2-N 3.03Å; V112-V114 WeakPolarHBondContact O-CG2 3.37Å; V112-V114 PolarHBondContact O-N 2.92Å
115V60.1Low62.2Low37 Ų3788.9 Ų88.922%0.22447%0.474CS..SBendtrans-141.991.2174.2-175.40000109.5L106 T107 D110 L117L106-V115 HydrophobicContact CD1-CG2 4.42Å; T107-V115 HydrophobicContact CG2-CB 4.5Å; T107-V115 HydrophobicContact CG2-CG1 4.29Å; D110-V115 PolarHBondContact OD2-N 2.98Å; V115-L117 HydrophobicContact CG1-CD2 4.28Å; V115-L117 PolarHBondContact O-N 3.25Å
116S60.3Low61.3Low50 Ų5095.6 Ų95.635%0.3550%0.495SS..  trans-8391.9177.960.60000111.9D118 G119 L120S116-D118 VanDerWaalsContact C-N 3.27Å; S116-D118 PolarHBondContact O-N 3.5Å; S116-G119 PolarHBondContact O-N 2.96Å; S116-L120 WeakPolarHBondContact O-CG 3.21Å; S116-L120 PolarHBondContact O-N 2.86Å; S116-L120 VanDerWaalsContact O-N 3.17Å
117L58.1Low60.8Low79 Ų79101.3 Ų101.341%0.41452%0.52SS..G310 helixtrans-61-32.7177.4-70.2-175.6000113.8T107 V115 G119 L120T107-L117 HydrophobicContact CG2-CD1 3.47Å; T107-L117 VanDerWaalsContact CG2-CD1 3.47Å; T107-L117 HydrophobicContact CG2-CD2 4.24Å; T107-L117 HydrophobicContact CG2-CG 3.5Å; V115-L117 HydrophobicContact CG1-CD2 4.28Å; V115-L117 PolarHBondContact O-N 3.25Å; L117-G119 VanDerWaalsContact C-N 3.27Å; L117-G119 PolarHBondContact O-N 3.35Å; L117-L120 HydrophobicContact CD2-CD1 3.59Å; L117-L120 HydrophobicContact CD2-CG 4.47Å
118D57.1Low60.5Low178 Ų178103.6 Ų103.695%0.95253%0.533SS*.G310 helixtrans-73.2-16.5-177.7-80.4-17.6000113.7S116S116-D118 VanDerWaalsContact C-N 3.27Å; S116-D118 PolarHBondContact O-N 3.5Å
119G57.7Low60.4Low20 Ų20100 Ų10021%0.20653%0.525CS..G310 helixtrans-13115.1-175.800000115S116 L117 G121 D122 W123S116-G119 PolarHBondContact O-N 2.96Å; L117-G119 VanDerWaalsContact C-N 3.27Å; L117-G119 PolarHBondContact O-N 3.35Å; G119-G121 PolarHBondContact O-N 3.49Å; G119-D122 PolarHBondContact O-N 3.25Å; G119-W123 VanDerWaalsContact O-CD1 3.28Å
120L60Low60.1Low36 Ų36100 Ų10019%0.18853%0.532CS..THydrogen-bonded Turntrans-48.6-32.6-171.4-94.3164.4000115.5F6 S116 L117F6-L120 HydrophobicContact CB-CD1 4.26Å; F6-L120 HydrophobicContact CB-CD2 4.25Å; F6-L120 HydrophobicContact CD2-CD1 4.24Å; F6-L120 HydrophobicContact CD2-CD2 3.94Å; F6-L120 HydrophobicContact CG-CD1 4.08Å; F6-L120 HydrophobicContact CG-CD2 4.33Å; S116-L120 WeakPolarHBondContact O-CG 3.21Å; S116-L120 PolarHBondContact O-N 2.86Å; S116-L120 VanDerWaalsContact O-N 3.17Å; L117-L120 HydrophobicContact CD2-CD1 3.59Å; L117-L120 HydrophobicContact CD2-CG 4.47Å
121G58.3Low60.2Low24 Ų24105 Ų10525%0.24756%0.557CS.*THydrogen-bonded Turntrans-86.9-18.5-177.700000115.1N2 G119 L124N2-G121 WeakPolarHBondContact O-CA 3.49Å; G119-G121 PolarHBondContact O-N 3.49Å; G121-L124 WeakPolarHBondContact O-CD1 3.48Å
122D60.4Low60.5Low148 Ų14897.3 Ų97.379%0.79153%0.53SS*.THydrogen-bonded Turntrans-84.2-23.2-168.4-131.926.7000112.3G119G119-D122 PolarHBondContact O-N 3.25Å
123W61Low60.8Low155 Ų15598.4 Ų98.459%0.58754%0.536SS*.THydrogen-bonded Turntrans-102.415.7-176.3-55.894.2000113.7G119 Y126G119-W123 VanDerWaalsContact O-CD1 3.28Å; W123-Y126 HydrophobicContact CB-CE2 4.44Å; W123-Y126 AromaticContact CE3-CE1 3.72Å; W123-Y126 HydrophobicContact CE3-CE1 3.72Å; W123-Y126 AromaticContact CE3-CZ 3.8Å; W123-Y126 VanDerWaalsContact CE3-OH 3.29Å; W123-Y126 HydrophobicContact CZ3-CE1 4.25Å; W123-Y126 WeakPolarHBondContact O-CE2 3.44Å
124L64.1Low61Low33 Ų33102.7 Ų102.717%0.17354%0.541CS..SBendtrans-78.1-32-172.1-69.6171.9000113.4Y4 I5 F46 G121Y4-L124 HydrophobicContact CD1-CD1 4.39Å; Y4-L124 HydrophobicContact CE1-CD1 3.57Å; I5-L124 HydrophobicContact CB-CD2 4.04Å; I5-L124 HydrophobicContact CD1-CB 4.4Å; I5-L124 HydrophobicContact CD1-CD1 3.83Å; I5-L124 HydrophobicContact CD1-CD2 3.55Å; I5-L124 HydrophobicContact CD1-CG 4.12Å; I5-L124 HydrophobicContact CG1-CD2 4.39Å; I5-L124 HydrophobicContact CG2-CD2 3.98Å; F46-L124 WeakPolarHBondContact CD1-O 3.14Å; F46-L124 HydrophobicContact CE1-CD2 4.27Å; F46-L124 VanDerWaalsContact CE1-O 3.32Å; F46-L124 WeakPolarHBondContact CE1-O 3.42Å; G121-L124 WeakPolarHBondContact O-CD1 3.48Å
125M63.8Low60.9Low91 Ų91103.4 Ų103.445%0.44854%0.541SS..SBendtrans-126.4104.6-178.7-63.9-67-76.600108.9F46 V128F46-M125 HydrophobicContact CB-SD 4.4Å; F46-M125 HydrophobicContact CD1-SD 4.19Å; M125-V128 HydrophobicContact CB-CG2 3.61Å; M125-V128 HydrophobicContact CE-CG2 3.9Å; M125-V128 HydrophobicContact CG-CG2 4.37Å
126Y62.7Low61.2Low165 Ų165108.2 Ų108.265%0.64756%0.561SS**SBendtrans-84124.6174.5-72-87.2000109.5W123W123-Y126 HydrophobicContact CB-CE2 4.44Å; W123-Y126 AromaticContact CE3-CE1 3.72Å; W123-Y126 HydrophobicContact CE3-CE1 3.72Å; W123-Y126 AromaticContact CE3-CZ 3.8Å; W123-Y126 VanDerWaalsContact CE3-OH 3.29Å; W123-Y126 HydrophobicContact CZ3-CE1 4.25Å; W123-Y126 WeakPolarHBondContact O-CE2 3.44Å
127E64.6Low61.5Low197 Ų197108 Ų10892%0.92157%0.566SS**SBendtrans50.267.8172-62.5-176.8166.600113.8D129E127-D129 PolarHBondContact O-N 3.02Å
128V67.4Low62.3Low87 Ų87105.7 Ų105.753%0.52756%0.561SS.*  trans-75.3124.2171.5-176.10000109.3M125 E130M125-V128 HydrophobicContact CB-CG2 3.61Å; M125-V128 HydrophobicContact CE-CG2 3.9Å; M125-V128 HydrophobicContact CG-CG2 4.37Å; V128-E130 PolarHBondContact O-N 3.34Å; V128-E130 VanDerWaalsContact O-N 3.16Å
129D69.1Low63.6Low91 Ų91101.4 Ų101.449%0.48754%0.538SS..  trans-72.9103.4169.8-173.122.5000109.6E127 I131 G132 L135E127-D129 PolarHBondContact O-N 3.02Å; D129-I131 PolarHBondContact O-N 3.4Å; D129-G132 WeakPolarHBondContact OD2-CA 3.43Å; D129-L135 HydrophobicContact CB-CD2 4.13Å
130E60.7Low64.9Low184 Ų184103.1 Ų103.186%0.8656%0.555SS**THydrogen-bonded Turntrans-67.6-16.1-177-68.5-173.1159.200113.2V128V128-E130 PolarHBondContact O-N 3.34Å; V128-E130 VanDerWaalsContact O-N 3.16Å
131I57.9Low66.2Low152 Ų152103.5 Ų103.578%0.77956%0.559SS**THydrogen-bonded Turntrans-124.929.5-173-44.2179.1000111.3D129 V133D129-I131 PolarHBondContact O-N 3.4Å; I131-V133 PolarHBondContact O-N 3.26Å
132G59.4Low67.6Low31 Ų31104.9 Ų104.932%0.3257%0.568SS.*  trans-86.2105.1175.200000112.8D129D129-G132 WeakPolarHBondContact OD2-CA 3.43Å
133V57Low68.9Low140 Ų14099.4 Ų99.485%0.84854%0.543SS*.THydrogen-bonded Turntrans-81.9125.7163.8-174.40000107.1I131I131-V133 PolarHBondContact O-N 3.26Å
134M60.2Low70.2Confident154 Ų15494.6 Ų94.676%0.75953%0.528SS*.THydrogen-bonded Turntrans72.534.7-176.6-71.9-177.9150.300115.8E136 I139M134-E136 PolarHBondContact O-N 3.1Å; M134-I139 HydrophobicContact CB-CD1 3.56Å; M134-I139 HydrophobicContact CG-CD1 4.2Å; M134-I139 WeakPolarHBondContact O-CD1 3.35Å
135L58.9Low71.5Confident120 Ų120101.1 Ų101.163%0.62855%0.552SS**  trans-84.623.9174.4-140.293.5000114D129D129-L135 HydrophobicContact CB-CD2 4.13Å
136E66.9Low72.8Confident138 Ų138100.8 Ų100.865%0.64556%0.558SS**  trans-87.3143.5-171.8-72.9-173.9157.400112.5M134 G138 I139M134-E136 PolarHBondContact O-N 3.1Å; E136-G138 PolarHBondContact O-N 2.82Å; E136-I139 PolarHBondContact O-N 3.37Å
137G66.6Low73.9Confident45 Ų4598.4 Ų98.446%0.46456%0.564SS.*Hα-helixtrans-53.1-18.4179.500000115.1I139 G140 V141G137-I139 VanDerWaalsContact C-N 3.33Å; G137-I139 PolarHBondContact O-N 3.48Å; G137-G140 PolarHBondContact O-N 2.98Å; G137-V141 WeakPolarHBondContact O-CG2 3.26Å; G137-V141 PolarHBondContact O-N 3Å
138G75.4Confident75.2Confident30 Ų3090.5 Ų90.531%0.30953%0.533SS..Hα-helixtrans-63.4-31.5174.100000114.3E136 V141 A142E136-G138 PolarHBondContact O-N 2.82Å; G138-V141 PolarHBondContact O-N 3.32Å; G138-A142 WeakPolarHBondContact O-CB 3.31Å; G138-A142 PolarHBondContact O-N 3.41Å
139I84.6Confident76.3Confident89 Ų8989.9 Ų89.946%0.45653%0.529SS..Hα-helixtrans-73.9-37.5-179.6-70.5153.9000111.2M134 E136 G137 V141 A142 A143M134-I139 HydrophobicContact CB-CD1 3.56Å; M134-I139 HydrophobicContact CG-CD1 4.2Å; M134-I139 WeakPolarHBondContact O-CD1 3.35Å; E136-I139 PolarHBondContact O-N 3.37Å; G137-I139 VanDerWaalsContact C-N 3.33Å; G137-I139 PolarHBondContact O-N 3.48Å; I139-V141 VanDerWaalsContact C-N 3.31Å; I139-V141 PolarHBondContact O-N 3.35Å; I139-A142 PolarHBondContact O-N 3Å; I139-A143 PolarHBondContact O-N 2.94Å
140G84.1Confident77.5Confident55 Ų5594.7 Ų94.757%0.56754%0.541SS*.Hα-helixtrans-59.8-42.1171.200000111.9G137 A143G137-G140 PolarHBondContact O-N 2.98Å; G140-A143 WeakPolarHBondContact O-CB 3.26Å; G140-A143 PolarHBondContact O-N 3.48Å
141V86.3Confident78.9Confident45 Ų4591.2 Ų91.227%0.27353%0.526SS..Hα-helixtrans-68.2-39.2175.6178.70000111.3F50 G137 G138 I139 A143 M144F50-V141 HydrophobicContact CD1-CB 4.43Å; F50-V141 HydrophobicContact CD1-CG2 3.86Å; F50-V141 HydrophobicContact CE1-CB 4Å; F50-V141 HydrophobicContact CE1-CG1 3.72Å; F50-V141 HydrophobicContact CE1-CG2 3.73Å; F50-V141 HydrophobicContact CZ-CG1 4.16Å; G137-V141 WeakPolarHBondContact O-CG2 3.26Å; G137-V141 PolarHBondContact O-N 3Å; G138-V141 PolarHBondContact O-N 3.32Å; I139-V141 VanDerWaalsContact C-N 3.31Å; I139-V141 PolarHBondContact O-N 3.35Å; V141-A143 PolarHBondContact O-N 3.31Å; V141-M144 HydrophobicContact CG1-CE 3.82Å; V141-M144 WeakPolarHBondContact O-CB 3.48Å; V141-M144 WeakPolarHBondContact O-CG 3.21Å; V141-M144 PolarHBondContact O-N 2.91Å; V141-M144 VanDerWaalsContact O-N 3.16Å
142A87.9Confident80.6Confident52 Ų5287 Ų8743%0.4350%0.503SS..Hα-helixtrans-64.9-27.8176.800000112.9G138 I139 M144 Y145G138-A142 WeakPolarHBondContact O-CB 3.31Å; G138-A142 PolarHBondContact O-N 3.41Å; I139-A142 PolarHBondContact O-N 3Å; A142-M144 PolarHBondContact O-N 2.96Å; A142-M144 VanDerWaalsContact O-N 3.09Å; A142-Y145 WeakPolarHBondContact O-CB 3.41Å; A142-Y145 WeakPolarHBondContact O-CD2 3.29Å; A142-Y145 PolarHBondContact O-N 3.27Å
143A89.1Confident82.3Confident34 Ų3489.5 Ų89.528%0.28151%0.513SS..G310 helixtrans-62.4-15.2175.400000113.4I139 G140 V141 Y145 S146 C147 A148I139-A143 PolarHBondContact O-N 2.94Å; G140-A143 WeakPolarHBondContact O-CB 3.26Å; G140-A143 PolarHBondContact O-N 3.48Å; V141-A143 PolarHBondContact O-N 3.31Å; A143-Y145 PolarHBondContact O-N 3.41Å; A143-S146 PolarHBondContact O-N 2.98Å; A143-C147 PolarHBondContact O-N 3.33Å; A143-A148 PolarHBondContact O-N 2.84Å
144M88.7Confident84.2Confident54 Ų5486.4 Ų86.427%0.26649%0.494SS..G310 helixtrans-62-23.8169.4-63-163.5-58.100113V141 A142 A148 T149 M151 M152V141-M144 HydrophobicContact CG1-CE 3.82Å; V141-M144 WeakPolarHBondContact O-CB 3.48Å; V141-M144 WeakPolarHBondContact O-CG 3.21Å; V141-M144 PolarHBondContact O-N 2.91Å; V141-M144 VanDerWaalsContact O-N 3.16Å; A142-M144 PolarHBondContact O-N 2.96Å; A142-M144 VanDerWaalsContact O-N 3.09Å; M144-A148 CarbonylContact O-C 3.2Å; M144-T149 VanDerWaalsContact O-CA 3.23Å; M144-T149 WeakPolarHBondContact O-CA 3.32Å; M144-T149 PolarHBondContact O-N 3.48Å; M144-M151 HydrophobicContact CG-CE 4.04Å; M144-M151 HydrophobicContact SD-CE 4.09Å; M144-M152 HydrophobicContact CB-CG 3.88Å; M144-M152 HydrophobicContact CB-SD 3.91Å; M144-M152 HydrophobicContact CE-SD 3.82Å; M144-M152 WeakPolarHBondContact O-CG 3.48Å; M144-M152 HydrophobicContact SD-SD 4.29Å
145Y89.4Confident85.9Confident170 Ų17081.2 Ų81.267%0.66748%0.475SS*.G310 helixtrans-85.9-15.5177.7-65.6-79.8000113.9A142 A143 T149 M152A142-Y145 WeakPolarHBondContact O-CB 3.41Å; A142-Y145 WeakPolarHBondContact O-CD2 3.29Å; A142-Y145 PolarHBondContact O-N 3.27Å; A143-Y145 PolarHBondContact O-N 3.41Å; Y145-T149 VanDerWaalsContact O-CG2 3.24Å; Y145-T149 WeakPolarHBondContact O-CG2 3.47Å; Y145-M152 HydrophobicContact CD1-CE 4.47Å; Y145-M152 HydrophobicContact CE1-CE 3.67Å
146S91.2Very high87.7Confident84 Ų8477.4 Ų77.459%0.58747%0.465SS*.THydrogen-bonded Turntrans-117.1-62.4-176.356.50000112.5A143A143-S146 PolarHBondContact O-N 2.98Å
147C87.5Confident89.1Confident114 Ų11479.5 Ų79.577%0.7747%0.467SS*.THydrogen-bonded Turntrans-88.1-35.4-174-61.10000112.4A143A143-C147 PolarHBondContact O-N 3.33Å
148A90.1Very high90.6Very high32 Ų3280.7 Ų80.726%0.26447%0.468SS..  trans-115.842.1-174.900000113.2A143 M144 W150 M151A143-A148 PolarHBondContact O-N 2.84Å; M144-A148 CarbonylContact O-C 3.2Å; A148-W150 PolarHBondContact O-N 2.86Å; A148-W150 VanDerWaalsContact O-N 3.16Å; A148-M151 HydrophobicContact CB-CE 3.79Å; A148-M151 HydrophobicContact CB-CG 4.47Å; A148-M151 PolarHBondContact O-N 3.34Å; A148-M151 VanDerWaalsContact O-N 3.07Å
149T91.6Very high91.6Very high74 Ų7485.3 Ų85.345%0.45449%0.485SS..Hα-helixtrans-57.4-30.2-179.152.10000113.5M144 Y145 M151 M152 V153M144-T149 VanDerWaalsContact O-CA 3.23Å; M144-T149 WeakPolarHBondContact O-CA 3.32Å; M144-T149 PolarHBondContact O-N 3.48Å; Y145-T149 VanDerWaalsContact O-CG2 3.24Å; Y145-T149 WeakPolarHBondContact O-CG2 3.47Å; T149-M151 VanDerWaalsContact C-N 3.28Å; T149-M151 PolarHBondContact O-N 3.47Å; T149-M152 WeakPolarHBondContact O-CB 3.36Å; T149-M152 PolarHBondContact O-N 2.92Å; T149-M152 VanDerWaalsContact O-N 3.12Å; T149-V153 PolarHBondContact O-N 3.33Å; T149-V153 VanDerWaalsContact O-N 3.11Å
150W94.1Very high92.2Very high192 Ų19286.2 Ų86.273%0.72749%0.486SS*.Hα-helixtrans-60.6-36.8177.3-167.9-107.6000112.8A148 M152 V153 V154A148-W150 PolarHBondContact O-N 2.86Å; A148-W150 VanDerWaalsContact O-N 3.16Å; W150-M152 VanDerWaalsContact C-N 3.28Å; W150-M152 PolarHBondContact O-N 3.08Å; W150-V153 PolarHBondContact O-N 3.39Å; W150-V154 WeakPolarHBondContact O-CG2 3.28Å; W150-V154 PolarHBondContact O-N 3.24Å
151M91.3Very high92.8Very high111 Ų11185.2 Ų85.255%0.54747%0.472SS..Hα-helixtrans-63-38.3176.4-63.9-154.9-67.400111.4M144 A148 T149 A155M144-M151 HydrophobicContact CG-CE 4.04Å; M144-M151 HydrophobicContact SD-CE 4.09Å; A148-M151 HydrophobicContact CB-CE 3.79Å; A148-M151 HydrophobicContact CB-CG 4.47Å; A148-M151 PolarHBondContact O-N 3.34Å; A148-M151 VanDerWaalsContact O-N 3.07Å; T149-M151 VanDerWaalsContact C-N 3.28Å; T149-M151 PolarHBondContact O-N 3.47Å; M151-A155 VanDerWaalsContact O-CB 3.29Å; M151-A155 WeakPolarHBondContact O-CB 3.42Å; M151-A155 PolarHBondContact O-N 3.46Å
152M92.5Very high93.4Very high62 Ų6284 Ų8431%0.30547%0.469SS..Hα-helixtrans-65.9-41176-66-59.5-66.200112.2M144 Y145 T149 W150 A155 G156M144-M152 HydrophobicContact CB-CG 3.88Å; M144-M152 HydrophobicContact CB-SD 3.91Å; M144-M152 HydrophobicContact CE-SD 3.82Å; M144-M152 WeakPolarHBondContact O-CG 3.48Å; M144-M152 HydrophobicContact SD-SD 4.29Å; Y145-M152 HydrophobicContact CD1-CE 4.47Å; Y145-M152 HydrophobicContact CE1-CE 3.67Å; T149-M152 WeakPolarHBondContact O-CB 3.36Å; T149-M152 PolarHBondContact O-N 2.92Å; T149-M152 VanDerWaalsContact O-N 3.12Å; W150-M152 VanDerWaalsContact C-N 3.28Å; W150-M152 PolarHBondContact O-N 3.08Å; M152-A155 PolarHBondContact O-N 3.24Å; M152-G156 PolarHBondContact O-N 3.31Å
153V96Very high93.8Very high85 Ų8586.2 Ų86.252%0.51547%0.473SS..Hα-helixtrans-63.9-46.21781770000110.7T149 W150 G156 W157T149-V153 PolarHBondContact O-N 3.33Å; T149-V153 VanDerWaalsContact O-N 3.11Å; W150-V153 PolarHBondContact O-N 3.39Å; V153-G156 PolarHBondContact O-N 2.93Å; V153-W157 WeakPolarHBondContact O-CB 3.08Å; V153-W157 PolarHBondContact O-N 3.38Å
154V96.8Very high94.1Very high75 Ų7590.2 Ų90.246%0.45548%0.484SS..Hα-helixtrans-65.1-43.1179175.70000111.4W150 W157 S158W150-V154 WeakPolarHBondContact O-CG2 3.28Å; W150-V154 PolarHBondContact O-N 3.24Å; V154-W157 PolarHBondContact O-N 3.03Å; V154-S158 PolarHBondContact O-N 3.41Å; V154-S158 PolarHBondContact O-OG 3.28Å
155A94.8Very high94.6Very high45 Ų4592.3 Ų92.337%0.37250%0.495SS..Hα-helixtrans-65.3-40.1177.100000112.4M151 M152 S158 L159M151-A155 VanDerWaalsContact O-CB 3.29Å; M151-A155 WeakPolarHBondContact O-CB 3.42Å; M151-A155 PolarHBondContact O-N 3.46Å; M152-A155 PolarHBondContact O-N 3.24Å; A155-S158 PolarHBondContact O-OG 3.45Å; A155-L159 WeakPolarHBondContact O-CG 3.38Å; A155-L159 PolarHBondContact O-N 3.4Å
156G96.4Very high94.9Very high39 Ų3989.3 Ų89.340%0.40249%0.489SS..Hα-helixtrans-64.6-42174.500000112M152 V153 L159 F160M152-G156 PolarHBondContact O-N 3.31Å; V153-G156 PolarHBondContact O-N 2.93Å; G156-L159 PolarHBondContact O-N 2.85Å; G156-F160 WeakPolarHBondContact O-CB 3.32Å; G156-F160 PolarHBondContact O-N 2.81Å
157W97.5Very high95.1Very high183 Ų18389.7 Ų89.769%0.69348%0.484SS*.Hα-helixtrans-66.3-40.6178.2-169.4-96000112.6V153 V154 F160 A161V153-W157 WeakPolarHBondContact O-CB 3.08Å; V153-W157 PolarHBondContact O-N 3.38Å; V154-W157 PolarHBondContact O-N 3.03Å; W157-F160 PolarHBondContact O-N 3.35Å; W157-A161 WeakPolarHBondContact O-CB 3.18Å; W157-A161 PolarHBondContact O-N 3.4Å
158S97.3Very high95.5Very high70 Ų7089.3 Ų89.349%0.4947%0.471SS..Hα-helixtrans-65.4-40.8177.965.80000112.2V154 A155 G162V154-S158 PolarHBondContact O-N 3.41Å; V154-S158 PolarHBondContact O-OG 3.28Å; A155-S158 PolarHBondContact O-OG 3.45Å; S158-G162 PolarHBondContact O-N 3.1Å
159L96.2Very high95.8Very high126 Ų12693.4 Ų93.466%0.6649%0.487SS*.Hα-helixtrans-65.6-43.3174.3-70173.6000111.8A155 G156 G162 I163A155-L159 WeakPolarHBondContact O-CG 3.38Å; A155-L159 PolarHBondContact O-N 3.4Å; G156-L159 PolarHBondContact O-N 2.85Å; L159-G162 PolarHBondContact O-N 3.38Å; L159-I163 WeakPolarHBondContact O-CG1 3.19Å; L159-I163 PolarHBondContact O-N 3.46Å; L159-I163 VanDerWaalsContact O-N 3.14Å
160F97.6Very high96Very high109 Ų10994.5 Ų94.548%0.47849%0.494SS..Hα-helixtrans-61.9-49.7177.6-178.2-108000111.7G156 W157 G162 I163 F164G156-F160 WeakPolarHBondContact O-CB 3.32Å; G156-F160 PolarHBondContact O-N 2.81Å; W157-F160 PolarHBondContact O-N 3.35Å; F160-G162 VanDerWaalsContact C-N 3.27Å; F160-G162 PolarHBondContact O-N 3.16Å; F160-I163 PolarHBondContact O-N 2.93Å; F160-F164 HydrophobicContact CD1-CD2 4.39Å; F160-F164 AromaticContact CD1-CE2 3.92Å; F160-F164 HydrophobicContact CD1-CE2 3.92Å; F160-F164 HydrophobicContact CD2-CE2 4.07Å; F160-F164 HydrophobicContact CE1-CD2 4.24Å; F160-F164 AromaticContact CE1-CE2 3.45Å; F160-F164 HydrophobicContact CE1-CE2 3.45Å; F160-F164 VanDerWaalsContact CE1-CE2 3.45Å; F160-F164 HydrophobicContact CE1-CZ 4.26Å; F160-F164 AromaticContact CE2-CE2 3.62Å; F160-F164 HydrophobicContact CE2-CE2 3.62Å; F160-F164 HydrophobicContact CE2-CZ 4.15Å; F160-F164 HydrophobicContact CG-CE2 4.23Å; F160-F164 HydrophobicContact CZ-CD2 4.44Å; F160-F164 AromaticContact CZ-CE2 3.31Å; F160-F164 HydrophobicContact CZ-CE2 3.31Å; F160-F164 AromaticContact CZ-CZ 3.78Å; F160-F164 HydrophobicContact CZ-CZ 3.78Å; F160-F164 VanDerWaalsContact O-CD2 3.29Å; F160-F164 WeakPolarHBondContact O-CD2 3.42Å
161A97.6Very high95.9Very high33 Ų3393.4 Ų93.427%0.27349%0.489SS..Hα-helixtrans-60.3-39174.400000111.6W157 I163 F164 I165W157-A161 WeakPolarHBondContact O-CB 3.18Å; W157-A161 PolarHBondContact O-N 3.4Å; A161-I163 VanDerWaalsContact C-N 3.28Å; A161-I163 PolarHBondContact O-N 3.36Å; A161-F164 PolarHBondContact O-N 3.04Å; A161-F164 VanDerWaalsContact O-N 3.17Å; A161-I165 VanDerWaalsContact O-CG1 3.26Å; A161-I165 WeakPolarHBondContact O-CG1 3.43Å; A161-I165 PolarHBondContact O-N 3.03Å
162G97.1Very high94.4Very high21 Ų2197.7 Ų97.722%0.21652%0.515CS..Hα-helixtrans-54.9-39.7175.500000113.4S158 L159 F160 I165 I166S158-G162 PolarHBondContact O-N 3.1Å; L159-G162 PolarHBondContact O-N 3.38Å; F160-G162 VanDerWaalsContact C-N 3.27Å; F160-G162 PolarHBondContact O-N 3.16Å; G162-I165 PolarHBondContact O-N 3.36Å; G162-I166 WeakPolarHBondContact O-CD1 3.3Å; G162-I166 WeakPolarHBondContact O-CG1 3.25Å; G162-I166 PolarHBondContact O-N 2.78Å
163I96.9Very high94.5Very high98 Ų9899.5 Ų99.550%0.50353%0.525SS..Hα-helixtrans-62.2-48.1176.5-64.4164.4000111.1L159 F160 A161 I165 I166 I167L159-I163 WeakPolarHBondContact O-CG1 3.19Å; L159-I163 PolarHBondContact O-N 3.46Å; L159-I163 VanDerWaalsContact O-N 3.14Å; F160-I163 PolarHBondContact O-N 2.93Å; A161-I163 VanDerWaalsContact C-N 3.28Å; A161-I163 PolarHBondContact O-N 3.36Å; I163-I165 VanDerWaalsContact C-N 3.34Å; I163-I165 PolarHBondContact O-N 2.79Å; I163-I166 PolarHBondContact O-N 2.99Å; I163-I167 HydrophobicContact CG2-CD1 3.81Å; I163-I167 VanDerWaalsContact O-CG1 3.3Å; I163-I167 WeakPolarHBondContact O-CG1 3.42Å; I163-I167 PolarHBondContact O-N 3.21Å
164F96.4Very high94.5Very high117 Ų117100.3 Ų100.351%0.51353%0.526SS..Hα-helixtrans-64.7-39.8178.2-69.4-79.5000112.2F160 A161 I166 I167 E168F160-F164 HydrophobicContact CD1-CD2 4.39Å; F160-F164 AromaticContact CD1-CE2 3.92Å; F160-F164 HydrophobicContact CD1-CE2 3.92Å; F160-F164 HydrophobicContact CD2-CE2 4.07Å; F160-F164 HydrophobicContact CE1-CD2 4.24Å; F160-F164 AromaticContact CE1-CE2 3.45Å; F160-F164 HydrophobicContact CE1-CE2 3.45Å; F160-F164 VanDerWaalsContact CE1-CE2 3.45Å; F160-F164 HydrophobicContact CE1-CZ 4.26Å; F160-F164 AromaticContact CE2-CE2 3.62Å; F160-F164 HydrophobicContact CE2-CE2 3.62Å; F160-F164 HydrophobicContact CE2-CZ 4.15Å; F160-F164 HydrophobicContact CG-CE2 4.23Å; F160-F164 HydrophobicContact CZ-CD2 4.44Å; F160-F164 AromaticContact CZ-CE2 3.31Å; F160-F164 HydrophobicContact CZ-CE2 3.31Å; F160-F164 AromaticContact CZ-CZ 3.78Å; F160-F164 HydrophobicContact CZ-CZ 3.78Å; F160-F164 VanDerWaalsContact O-CD2 3.29Å; F160-F164 WeakPolarHBondContact O-CD2 3.42Å; A161-F164 PolarHBondContact O-N 3.04Å; A161-F164 VanDerWaalsContact O-N 3.17Å; F164-I166 VanDerWaalsContact C-N 3.35Å; F164-I167 PolarHBondContact O-N 3.31Å; F164-E168 WeakPolarHBondContact O-CB 3.23Å; F164-E168 PolarHBondContact O-N 3.17Å
165I97.3Very high94.3Very high99 Ų99101.7 Ų101.751%0.50853%0.53SS..Hα-helixtrans-60.1-47.7176.4-68164.8000109.9A161 G162 I163 I167 E168 I169A161-I165 VanDerWaalsContact O-CG1 3.26Å; A161-I165 WeakPolarHBondContact O-CG1 3.43Å; A161-I165 PolarHBondContact O-N 3.03Å; G162-I165 PolarHBondContact O-N 3.36Å; I163-I165 VanDerWaalsContact C-N 3.34Å; I163-I165 PolarHBondContact O-N 2.79Å; I165-I167 PolarHBondContact O-N 3.38Å; I165-E168 PolarHBondContact O-N 2.75Å; I165-I169 HydrophobicContact CG2-CD1 3.57Å; I165-I169 HydrophobicContact CG2-CG1 4.39Å; I165-I169 WeakPolarHBondContact O-CB 3.46Å; I165-I169 WeakPolarHBondContact O-CD1 3.33Å; I165-I169 WeakPolarHBondContact O-CG1 3.46Å; I165-I169 PolarHBondContact O-N 2.97Å
166I95.9Very high94.3Very high106 Ų106105 Ų10554%0.54454%0.539SS..Hα-helixtrans-62.5-44.5179-67.2163000110.9G162 I163 F164 E168 I169 T170G162-I166 WeakPolarHBondContact O-CD1 3.3Å; G162-I166 WeakPolarHBondContact O-CG1 3.25Å; G162-I166 PolarHBondContact O-N 2.78Å; I163-I166 PolarHBondContact O-N 2.99Å; F164-I166 VanDerWaalsContact C-N 3.35Å; I166-E168 VanDerWaalsContact C-N 3.33Å; I166-E168 PolarHBondContact O-N 2.97Å; I166-I169 PolarHBondContact O-N 3.17Å; I166-T170 HydrophobicContact CG2-CG2 4.48Å; I166-T170 PolarHBondContact O-N 3.26Å; I166-T170 PolarHBondContact O-OG1 3.01Å; I166-T170 VanDerWaalsContact O-OG1 3.06Å
167I96.5Very high94.2Very high92 Ų92109.1 Ų109.147%0.47255%0.548SS..Hα-helixtrans-59.8-44.4177.8-68.8165000111I163 F164 I165 T170 R171I163-I167 HydrophobicContact CG2-CD1 3.81Å; I163-I167 VanDerWaalsContact O-CG1 3.3Å; I163-I167 WeakPolarHBondContact O-CG1 3.42Å; I163-I167 PolarHBondContact O-N 3.21Å; F164-I167 PolarHBondContact O-N 3.31Å; I165-I167 PolarHBondContact O-N 3.38Å; I167-T170 PolarHBondContact O-N 3.01Å; I167-R171 VanDerWaalsContact O-CB 3.29Å; I167-R171 WeakPolarHBondContact O-CB 3.25Å; I167-R171 PolarHBondContact O-N 3.31Å; I167-R171 VanDerWaalsContact O-N 3.1Å
168E96.4Very high93.9Very high106 Ų106104.2 Ų104.250%0.49554%0.538SS..Hα-helixtrans-68.1-36.3-179.3-167.164.8-168.600111.7F164 I165 I166 R171F164-E168 WeakPolarHBondContact O-CB 3.23Å; F164-E168 PolarHBondContact O-N 3.17Å; I165-E168 PolarHBondContact O-N 2.75Å; I166-E168 VanDerWaalsContact C-N 3.33Å; I166-E168 PolarHBondContact O-N 2.97Å; E168-R171 IonicContact OE1-CZ 3.54Å; E168-R171 IonicContact OE1-NE 3.64Å; E168-R171 IonicContact OE1-NH2 2.68Å; E168-R171 PolarHBondContact OE1-NH2 3.34Å; E168-R171 IonicContact OE2-CZ 3.48Å; E168-R171 IonicContact OE2-NE 3.1Å; E168-R171 PolarHBondContact OE2-NE 3.37Å; E168-R171 VanDerWaalsContact OE2-NE 3.1Å; E168-R171 IonicContact OE2-NH2 3.33Å; E168-R171 PolarHBondContact OE2-NH2 3.13Å
169I95.9Very high93.7Very high119 Ų119106.6 Ų106.661%0.6154%0.541SS*.Hα-helixtrans-67.9-36.9176.7-68.8166.9000111.9I165 I166I165-I169 HydrophobicContact CG2-CD1 3.57Å; I165-I169 HydrophobicContact CG2-CG1 4.39Å; I165-I169 WeakPolarHBondContact O-CB 3.46Å; I165-I169 WeakPolarHBondContact O-CD1 3.33Å; I165-I169 WeakPolarHBondContact O-CG1 3.46Å; I165-I169 PolarHBondContact O-N 2.97Å; I166-I169 PolarHBondContact O-N 3.17Å
170T94.4Very high93.5Very high97 Ų97105.2 Ų105.260%0.59553%0.532SS*.THydrogen-bonded Turntrans-93.43.5-178.261.20000114I166 I167I166-T170 HydrophobicContact CG2-CG2 4.48Å; I166-T170 PolarHBondContact O-N 3.26Å; I166-T170 PolarHBondContact O-OG1 3.01Å; I166-T170 VanDerWaalsContact O-OG1 3.06Å; I167-T170 PolarHBondContact O-N 3.01Å
171R92.4Very high93.2Very high168 Ų168104.8 Ų104.863%0.63454%0.537SS*.  trans-78.4-23.6-179.4-171.8165.570.7116.81113.2I167 E168I167-R171 VanDerWaalsContact O-CB 3.29Å; I167-R171 WeakPolarHBondContact O-CB 3.25Å; I167-R171 PolarHBondContact O-N 3.31Å; I167-R171 VanDerWaalsContact O-N 3.1Å; E168-R171 IonicContact OE1-CZ 3.54Å; E168-R171 IonicContact OE1-NE 3.64Å; E168-R171 IonicContact OE1-NH2 2.68Å; E168-R171 PolarHBondContact OE1-NH2 3.34Å; E168-R171 IonicContact OE2-CZ 3.48Å; E168-R171 IonicContact OE2-NE 3.1Å; E168-R171 PolarHBondContact OE2-NE 3.37Å; E168-R171 VanDerWaalsContact OE2-NE 3.1Å; E168-R171 IonicContact OE2-NH2 3.33Å; E168-R171 PolarHBondContact OE2-NH2 3.13Å
172D61.2Low92.8Very high202 Ų202111.4 Ų111.4100%1.0856%0.561SS**  trans-82.20170.9-65.6-31.9000111.3

Retrieved 172 of 172 residues in 28.5 ms (Link to these results)

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