A0A087YE63_POEFO Loading...

Origin recognition complex subunit 5

Component of the origin recognition complex (ORC) that binds origins of replication. DNA-binding is ATP-dependent. The specific DNA sequences that define origins of replication have not been identified yet. ORC is required to assemble the pre-replication complex necessary to initiate DNA replication.

AlphaFold DB , UniProt , Accession A0A087YE63, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 442 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
1M38.4Very low51.8Low200 Ų20095.1 Ų95.199%0.98553%0.527SS*.  0-8.70-78.2-175.7-96.400112.1G3M1-G3 PolarHBondContact O-N 3.42Å
2E33Very low53.2Low176 Ų17691 Ų9182%0.82252%0.523SS*.G310 helixtrans-74.8-16.2-179.7-67.1174.7147.600115.9L4E2-L4 PolarHBondContact O-N 3.44Å
3G38.7Very low54.6Low64 Ų6494.8 Ų94.866%0.6653%0.533SS*.G310 helixtrans-86.44.8-170.200000117.6M1M1-G3 PolarHBondContact O-N 3.42Å
4L48.9Very low56.1Low100 Ų10091.1 Ų91.152%0.52451%0.509SS..G310 helixtrans-99.4-9.2-175.9-91.9151.3000114.3E2 V27 G30E2-L4 PolarHBondContact O-N 3.44Å; L4-V27 HydrophobicContact CD1-CG2 4.48Å; L4-G30 WeakPolarHBondContact O-CA 3.42Å
5L54.3Low57.2Low19 Ų1985.9 Ų85.910%0.09948%0.479CS..SBendtrans-113.57.2-179.9-69.1169.1000112.7H7 L15 A29 L33L5-H7 PolarHBondContact O-N 2.75Å; L5-L15 VanDerWaalsContact O-CD1 3.23Å; L5-L15 WeakPolarHBondContact O-CD1 3.5Å; L5-L15 WeakPolarHBondContact O-CD2 3.23Å; L5-A29 HydrophobicContact CD2-CB 3.99Å; L5-L33 HydrophobicContact CD2-CD1 3.51Å
6E51Low58.3Low158 Ų15891.6 Ų91.674%0.73849%0.491SS*.  trans-84.698.9177.1-66-172.5164.900109.8
7H58.5Low59.5Low45 Ų4593.8 Ų93.821%0.20849%0.49CS..  trans-112.3129.1170.3-154.3-85.5000109.4L5 G9 Y10L5-H7 PolarHBondContact O-N 2.75Å; H7-G9 PolarHBondContact O-N 3.27Å; H7-Y10 HydrophobicContact CB-CD2 4.37Å; H7-Y10 PolarHBondContact O-N 3.31Å
8P54Low60.5Low122 Ų12288.6 Ų88.679%0.79246%0.464SS*.THydrogen-bonded Turntrans-65.4-10.6-172.724.8-34.5000114.6
9G58.3Low61.4Low29 Ų2986.1 Ų86.130%0.29945%0.454SS..THydrogen-bonded Turntrans-90.3-5.5-17900000116.2H7H7-G9 PolarHBondContact O-N 3.27Å
10Y64.3Low62.3Low27 Ų2789.5 Ų89.511%0.10647%0.467CS..SBendtrans-131148.1-174.2-66.4-72.3000112.3H7 G12 L33 G37 P39 L68 L70H7-Y10 HydrophobicContact CB-CD2 4.37Å; H7-Y10 PolarHBondContact O-N 3.31Å; Y10-G12 PolarHBondContact O-N 2.65Å; Y10-L33 HydrophobicContact CE2-CD2 4.44Å; Y10-G37 WeakPolarHBondContact CE2-O 3.39Å; Y10-G37 PolarHBondContact OH-O 3.04Å; Y10-P39 HydrophobicContact CE1-CG 3.68Å; Y10-L68 HydrophobicContact CD1-CB 4.45Å; Y10-L68 HydrophobicContact CD1-CD1 4.26Å; Y10-L68 HydrophobicContact CD1-CD2 3.64Å; Y10-L68 HydrophobicContact CD1-CG 4.33Å; Y10-L68 HydrophobicContact CE1-CB 4.21Å; Y10-L68 HydrophobicContact CE1-CD1 3.97Å; Y10-L68 HydrophobicContact CE1-CD2 4.14Å; Y10-L68 HydrophobicContact CE1-CG 4.34Å; Y10-L68 HydrophobicContact CE2-CD1 4.47Å; Y10-L68 HydrophobicContact CG-CD2 3.97Å; Y10-L70 HydrophobicContact CE1-CD2 4.24Å
11D69.9Low63.2Low106 Ų10689.2 Ų89.257%0.56746%0.464SS*.  trans-61.7126.1179.2-68.8-38.4000111.4E13 K14 L15D11-E13 PolarHBondContact O-N 3Å; D11-E13 VanDerWaalsContact O-N 3.14Å; D11-K14 HydrophobicContact CB-CB 4.39Å; D11-K14 HydrophobicContact CB-CD 4.19Å; D11-K14 HydrophobicContact CB-CG 4.15Å; D11-K14 WeakPolarHBondContact O-CB 3.34Å; D11-K14 PolarHBondContact O-N 3.32Å; D11-L15 PolarHBondContact O-N 3.43Å; D11-L15 VanDerWaalsContact O-N 3.16Å
12G69.2Low65.3Low46 Ų4679.9 Ų79.947%0.47442%0.418SS..Hα-helixtrans-59.4-26.5-179.600000114Y10 R16Y10-G12 PolarHBondContact O-N 2.65Å; G12-R16 WeakPolarHBondContact O-CG 3.44Å; G12-R16 PolarHBondContact O-N 3.08Å; G12-R16 VanDerWaalsContact O-N 3.08Å
13E71Confident67.6Low140 Ų14073.5 Ų73.565%0.65439%0.391SS*.Hα-helixtrans-70.5-39.4174.3-65.9-170.3173.200112.6D11 L15 R16 R17D11-E13 PolarHBondContact O-N 3Å; D11-E13 VanDerWaalsContact O-N 3.14Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-R16 PolarHBondContact O-N 2.88Å; E13-R17 WeakPolarHBondContact O-CG 3.22Å; E13-R17 PolarHBondContact O-N 3Å; E13-R17 VanDerWaalsContact O-N 3.12Å
14K75.3Confident69.7Low44 Ų4471.7 Ų71.719%0.19137%0.369CS..Hα-helixtrans-65.9-40.9175.9-69.1-179.9167.9-169.20110.3D11 R16 R17 V18 E67 L68 E69D11-K14 HydrophobicContact CB-CB 4.39Å; D11-K14 HydrophobicContact CB-CD 4.19Å; D11-K14 HydrophobicContact CB-CG 4.15Å; D11-K14 WeakPolarHBondContact O-CB 3.34Å; D11-K14 PolarHBondContact O-N 3.32Å; K14-R16 VanDerWaalsContact C-N 3.33Å; K14-R16 PolarHBondContact O-N 2.8Å; K14-R17 PolarHBondContact O-N 3.46Å; K14-V18 WeakPolarHBondContact O-CG2 3.4Å; K14-V18 PolarHBondContact O-N 3.32Å; K14-E67 WeakPolarHBondContact CD-O 3.5Å; K14-L68 HydrophobicContact CB-CD2 4.43Å; K14-E69 IonicContact NZ-OE2 2.74Å; K14-E69 PolarHBondContact NZ-OE2 3.47Å
15L73.8Confident71.4Confident12 Ų1267.2 Ų67.26%0.06335%0.345CS..Hα-helixtrans-64.1-36.1176.6-68.1164.6000112.7L5 D11 E13 V18 S19 L33L5-L15 VanDerWaalsContact O-CD1 3.23Å; L5-L15 WeakPolarHBondContact O-CD1 3.5Å; L5-L15 WeakPolarHBondContact O-CD2 3.23Å; D11-L15 PolarHBondContact O-N 3.43Å; D11-L15 VanDerWaalsContact O-N 3.16Å; E13-L15 VanDerWaalsContact C-N 3.34Å; L15-V18 PolarHBondContact O-N 3.35Å; L15-S19 PolarHBondContact O-N 2.97Å; L15-L33 HydrophobicContact CD2-CD1 3.64Å; L15-L33 HydrophobicContact CD2-CD2 4.36Å
16R74.4Confident72.9Confident177 Ų17769.1 Ų69.167%0.66835%0.353SS*.Hα-helixtrans-65.4-44.5172.6-75.6175.1-178.9178.50.9112.3G12 E13 K14 V18 S19 E20G12-R16 WeakPolarHBondContact O-CG 3.44Å; G12-R16 PolarHBondContact O-N 3.08Å; G12-R16 VanDerWaalsContact O-N 3.08Å; E13-R16 PolarHBondContact O-N 2.88Å; K14-R16 VanDerWaalsContact C-N 3.33Å; K14-R16 PolarHBondContact O-N 2.8Å; R16-V18 VanDerWaalsContact C-N 3.3Å; R16-V18 PolarHBondContact O-N 3.43Å; R16-S19 PolarHBondContact O-N 2.96Å; R16-S19 VanDerWaalsContact O-N 3.09Å; R16-S19 PolarHBondContact O-OG 3.36Å; R16-E20 WeakPolarHBondContact O-CG 3.18Å; R16-E20 PolarHBondContact O-N 3.42Å
17R77.8Confident74.6Confident129 Ų12964.7 Ų64.749%0.48734%0.337SS..Hα-helixtrans-59.8-40.5175.2-68.6178.7-171176.25.4112.4E13 K14 S19 E20 Q21E13-R17 WeakPolarHBondContact O-CG 3.22Å; E13-R17 PolarHBondContact O-N 3Å; E13-R17 VanDerWaalsContact O-N 3.12Å; K14-R17 PolarHBondContact O-N 3.46Å; R17-S19 VanDerWaalsContact C-N 3.34Å; R17-S19 PolarHBondContact O-N 3.42Å; R17-E20 PolarHBondContact O-N 2.94Å; R17-Q21 WeakPolarHBondContact O-CG 3.3Å; R17-Q21 PolarHBondContact O-N 3.36Å; R17-Q21 VanDerWaalsContact O-N 3.08Å
18V78.5Confident76.1Confident1 Ų163.7 Ų63.71%0.00633%0.332CS..Hα-helixtrans-61-43.8174.2170.90000110.8K14 L15 R16 E20 Q21 L22 V63 L64 E67K14-V18 WeakPolarHBondContact O-CG2 3.4Å; K14-V18 PolarHBondContact O-N 3.32Å; L15-V18 PolarHBondContact O-N 3.35Å; R16-V18 VanDerWaalsContact C-N 3.3Å; R16-V18 PolarHBondContact O-N 3.43Å; V18-E20 VanDerWaalsContact C-N 3.33Å; V18-E20 PolarHBondContact O-N 3.4Å; V18-Q21 PolarHBondContact O-N 2.91Å; V18-L22 HydrophobicContact CG1-CD1 3.68Å; V18-L22 HydrophobicContact CG1-CG 4.42Å; V18-L22 WeakPolarHBondContact O-CB 3.38Å; V18-L22 WeakPolarHBondContact O-CG 3.38Å; V18-L22 PolarHBondContact O-N 2.98Å; V18-V63 HydrophobicContact CG2-CG1 4.44Å; V18-L64 HydrophobicContact CG1-CD2 3.66Å; V18-L64 HydrophobicContact CG1-CG 4.47Å; V18-L64 HydrophobicContact CG2-CD2 4.44Å; V18-E67 HydrophobicContact CG2-CB 3.65Å; V18-E67 HydrophobicContact CG2-CG 3.92Å
19S77.1Confident77.6Confident40 Ų4058 Ų5828%0.2830%0.295SS..Hα-helixtrans-64.3-36.5178.3750000113.1L15 R16 R17L15-S19 PolarHBondContact O-N 2.97Å; R16-S19 PolarHBondContact O-N 2.96Å; R16-S19 VanDerWaalsContact O-N 3.09Å; R16-S19 PolarHBondContact O-OG 3.36Å; R17-S19 VanDerWaalsContact C-N 3.34Å; R17-S19 PolarHBondContact O-N 3.42Å
20E80.1Confident78.9Confident155 Ų15556.7 Ų56.772%0.72428%0.282SS*.Hα-helixtrans-68.7-37177.4-71.4174.6179.100112.1R16 R17 V18R16-E20 WeakPolarHBondContact O-CG 3.18Å; R16-E20 PolarHBondContact O-N 3.42Å; R17-E20 PolarHBondContact O-N 2.94Å; V18-E20 VanDerWaalsContact C-N 3.33Å; V18-E20 PolarHBondContact O-N 3.4Å
21Q81.1Confident80.1Confident83 Ų8360 Ų6039%0.38830%0.299SS..Hα-helixtrans-80.5-21.8179.6-68.8-178.624.700113.5R17 V18 P23 V63 E67R17-Q21 WeakPolarHBondContact O-CG 3.3Å; R17-Q21 PolarHBondContact O-N 3.36Å; R17-Q21 VanDerWaalsContact O-N 3.08Å; V18-Q21 PolarHBondContact O-N 2.91Å; Q21-P23 WeakPolarHBondContact O-CD 3.23Å; Q21-V63 HydrophobicContact CB-CG1 4.2Å; Q21-E67 PolarHBondContact NE2-OE1 2.92Å
22L81.6Confident80.9Confident5 Ų555.1 Ų55.13%0.02627%0.273CS..SBendtrans-115.165.1-174.8-59.7-179.7000113V18 C24 R25 A29 H59 V60 V63V18-L22 HydrophobicContact CG1-CD1 3.68Å; V18-L22 HydrophobicContact CG1-CG 4.42Å; V18-L22 WeakPolarHBondContact O-CB 3.38Å; V18-L22 WeakPolarHBondContact O-CG 3.38Å; V18-L22 PolarHBondContact O-N 2.98Å; L22-C24 PolarHBondContact O-N 3.43Å; L22-R25 PolarHBondContact O-N 3.44Å; L22-A29 HydrophobicContact CD1-CB 4.35Å; L22-H59 VanDerWaalsContact CD2-CD2 3.47Å; L22-H59 WeakPolarHBondContact CD2-CD2 3.5Å; L22-V60 HydrophobicContact CD1-CB 4.33Å; L22-V60 HydrophobicContact CD1-CG1 4.05Å; L22-V60 HydrophobicContact CD1-CG2 4.17Å; L22-V60 HydrophobicContact CD2-CB 4.43Å; L22-V60 HydrophobicContact CD2-CG2 3.85Å; L22-V63 HydrophobicContact CD1-CB 4.47Å; L22-V63 HydrophobicContact CD1-CG1 4.21Å; L22-V63 HydrophobicContact CD2-CB 4.16Å; L22-V63 HydrophobicContact CD2-CG1 4.28Å; L22-V63 HydrophobicContact CD2-CG2 4.17Å; L22-V63 HydrophobicContact CG-CB 4.47Å; L22-V63 HydrophobicContact CG-CG1 4.12Å
23P81.1Confident81.7Confident41 Ų4153 Ų5327%0.26625%0.251SS..THydrogen-bonded Turntrans-59.2138.4175.525.2-32.8000110.9Q21 R25 I199Q21-P23 WeakPolarHBondContact O-CD 3.23Å; P23-R25 PolarHBondContact O-N 2.89Å; P23-I199 HydrophobicContact CB-CG1 4.28Å; P23-I199 HydrophobicContact CG-CG1 4.03Å
24C82.6Confident82.5Confident27 Ų2750 Ų5018%0.18225%0.246CC..THydrogen-bonded Turntrans679.9175-49.80000116.3L22 Y191 E195 I199L22-C24 PolarHBondContact O-N 3.43Å; C24-Y191 HydrophobicContact CB-CD1 4.48Å; C24-Y191 HydrophobicContact CB-CE1 4.33Å; C24-E195 HydrophobicContact CB-CB 3.96Å; C24-E195 HydrophobicContact CB-CG 3.75Å; C24-I199 HydrophobicContact CB-CD1 4.32Å
25R85.8Confident83Confident5 Ų551.3 Ų51.32%0.01925%0.254CS..  trans-125.822.5178.1-69.1-67176.4-102.68.6114.3L22 P23 V27 Q28 A29 V60 P189 Y191 E195L22-R25 PolarHBondContact O-N 3.44Å; P23-R25 PolarHBondContact O-N 2.89Å; R25-V27 VanDerWaalsContact C-N 3.32Å; R25-V27 PolarHBondContact O-N 3.23Å; R25-Q28 PolarHBondContact O-N 2.97Å; R25-A29 WeakPolarHBondContact O-CB 3.38Å; R25-A29 PolarHBondContact O-N 3.32Å; R25-V60 HydrophobicContact CB-CG2 4.04Å; R25-V60 HydrophobicContact CG-CG2 4.32Å; R25-P189 PolarHBondContact NH2-O 3.48Å; R25-Y191 HydrophobicContact CG-CE1 3.97Å; R25-Y191 WeakPolarHBondContact CG-OH 3.12Å; R25-Y191 VanDerWaalsContact CZ-CD1 3.42Å; R25-Y191 VanDerWaalsContact NH2-CE1 3.29Å; R25-E195 IonicContact CZ-OE2 2.89Å; R25-E195 IonicContact NH1-OE2 2.66Å; R25-E195 PolarHBondContact NH1-OE2 3.13Å; R25-E195 IonicContact NH2-OE2 3.84Å
26E84.6Confident83.4Confident59 Ų5951.2 Ų51.228%0.27625%0.254SS..Hα-helixtrans-58-40.8179.1-63.2171.2-167.200112.8G30E26-G30 PolarHBondContact O-N 3.48Å
27V87.6Confident83.8Confident65 Ų6543.1 Ų43.139%0.39423%0.225SC..Hα-helixtrans-66.5-46.8-178.6179.30000111.1L4 R25 G30 M31L4-V27 HydrophobicContact CD1-CG2 4.48Å; R25-V27 VanDerWaalsContact C-N 3.32Å; R25-V27 PolarHBondContact O-N 3.23Å; V27-G30 PolarHBondContact O-N 3.03Å; V27-M31 HydrophobicContact CG1-CE 3.74Å; V27-M31 HydrophobicContact CG1-SD 4.34Å; V27-M31 VanDerWaalsContact O-CG 3.3Å; V27-M31 WeakPolarHBondContact O-CG 3.33Å; V27-M31 PolarHBondContact O-N 3.46Å
28Q89.2Confident84Confident25 Ų2540.3 Ų40.312%0.11722%0.218CC..Hα-helixtrans-69.2-39.2-179.9-64.77810.500111.1R25 M31 L32 F188R25-Q28 PolarHBondContact O-N 2.97Å; Q28-M31 PolarHBondContact O-N 3.38Å; Q28-L32 WeakPolarHBondContact O-CG 3.47Å; Q28-L32 PolarHBondContact O-N 3.17Å; Q28-F188 HydrophobicContact CB-CE1 4.1Å; Q28-F188 HydrophobicContact CB-CE2 3.98Å; Q28-F188 HydrophobicContact CB-CZ 3.73Å; Q28-F188 HydrophobicContact CG-CD2 4.34Å; Q28-F188 HydrophobicContact CG-CE1 4.47Å; Q28-F188 HydrophobicContact CG-CE2 4.25Å; Q28-F188 HydrophobicContact CG-CG 4.5Å; Q28-F188 HydrophobicContact CG-CZ 4.32Å
29A86.7Confident84Confident1 Ų141.2 Ų41.21%0.00822%0.224CC..Hα-helixtrans-63.2-44.717400000111.3L5 L22 R25 M31 L32 L33 V60 L64L5-A29 HydrophobicContact CD2-CB 3.99Å; L22-A29 HydrophobicContact CD1-CB 4.35Å; R25-A29 WeakPolarHBondContact O-CB 3.38Å; R25-A29 PolarHBondContact O-N 3.32Å; A29-M31 PolarHBondContact O-N 2.89Å; A29-L32 PolarHBondContact O-N 3.2Å; A29-L33 WeakPolarHBondContact O-CB 3.43Å; A29-L33 VanDerWaalsContact O-CG 3.27Å; A29-L33 WeakPolarHBondContact O-CG 3.49Å; A29-L33 PolarHBondContact O-N 2.74Å; A29-V60 HydrophobicContact CB-CG1 4.47Å; A29-L64 HydrophobicContact CB-CD1 4.48Å
30G85.9Confident84.1Confident2 Ų246.4 Ų46.42%0.02124%0.243CC..Hα-helixtrans-61.7-40.5175.300000113.1L4 E26 V27 L33 S34L4-G30 WeakPolarHBondContact O-CA 3.42Å; E26-G30 PolarHBondContact O-N 3.48Å; V27-G30 PolarHBondContact O-N 3.03Å; G30-L33 PolarHBondContact O-N 2.92Å; G30-S34 WeakPolarHBondContact O-CB 3.21Å; G30-S34 PolarHBondContact O-N 3.22Å; G30-S34 PolarHBondContact O-OG 2.95Å
31M87.9Confident84.2Confident97 Ų9743.4 Ų43.448%0.47823%0.23SC..Hα-helixtrans-62.5-45.2173.2-74.1176.5-179.400111.7V27 Q28 A29 S34 L35 L186V27-M31 HydrophobicContact CG1-CE 3.74Å; V27-M31 HydrophobicContact CG1-SD 4.34Å; V27-M31 VanDerWaalsContact O-CG 3.3Å; V27-M31 WeakPolarHBondContact O-CG 3.33Å; V27-M31 PolarHBondContact O-N 3.46Å; Q28-M31 PolarHBondContact O-N 3.38Å; A29-M31 PolarHBondContact O-N 2.89Å; M31-S34 PolarHBondContact O-N 3.43Å; M31-L35 WeakPolarHBondContact O-CG 3.09Å; M31-L35 PolarHBondContact O-N 3.3Å; M31-L186 HydrophobicContact CB-CD1 4.3Å; M31-L186 HydrophobicContact SD-CD1 4.07Å
32L87.8Confident84.2Confident3 Ų347.9 Ų47.92%0.01624%0.244CC..Hα-helixtrans-60.6-47176.2-76.6171.2000111.7Q28 A29 S34 L35 M36 L47 I49 V60 V61 L64 L186 F188Q28-L32 WeakPolarHBondContact O-CG 3.47Å; Q28-L32 PolarHBondContact O-N 3.17Å; A29-L32 PolarHBondContact O-N 3.2Å; L32-S34 VanDerWaalsContact C-N 3.32Å; L32-S34 PolarHBondContact O-N 2.83Å; L32-L35 PolarHBondContact O-N 3.35Å; L32-L35 VanDerWaalsContact O-N 3.17Å; L32-M36 WeakPolarHBondContact O-CB 3.27Å; L32-M36 WeakPolarHBondContact O-CG 3.49Å; L32-M36 PolarHBondContact O-N 3.24Å; L32-L47 HydrophobicContact CD2-CD2 3.38Å; L32-I49 HydrophobicContact CD1-CD1 4.39Å; L32-I49 HydrophobicContact CD2-CD1 3.9Å; L32-V60 HydrophobicContact CD1-CG1 4.02Å; L32-V61 HydrophobicContact CD1-CG2 4.44Å; L32-L64 HydrophobicContact CB-CD1 4.12Å; L32-L64 HydrophobicContact CD1-CD1 3.82Å; L32-L186 HydrophobicContact CD1-CD2 4.29Å; L32-L186 HydrophobicContact CD2-CD2 3.43Å; L32-L186 VanDerWaalsContact CD2-CD2 3.43Å; L32-L186 HydrophobicContact CG-CD2 3.6Å; L32-F188 HydrophobicContact CD1-CE2 4.49Å; L32-F188 HydrophobicContact CD1-CZ 4.05Å
33L86.7Confident84.3Confident3 Ų348.3 Ų48.32%0.01625%0.247CC..Hα-helixtrans-60.1-43177.5-71.7170.1000112L5 Y10 L15 A29 G30 L35 M36 G37 L64 L68L5-L33 HydrophobicContact CD2-CD1 3.51Å; Y10-L33 HydrophobicContact CE2-CD2 4.44Å; L15-L33 HydrophobicContact CD2-CD1 3.64Å; L15-L33 HydrophobicContact CD2-CD2 4.36Å; A29-L33 WeakPolarHBondContact O-CB 3.43Å; A29-L33 VanDerWaalsContact O-CG 3.27Å; A29-L33 WeakPolarHBondContact O-CG 3.49Å; A29-L33 PolarHBondContact O-N 2.74Å; G30-L33 PolarHBondContact O-N 2.92Å; L33-L35 VanDerWaalsContact C-N 3.27Å; L33-L35 PolarHBondContact O-N 3.27Å; L33-M36 PolarHBondContact O-N 3.02Å; L33-G37 PolarHBondContact O-N 2.89Å; L33-L64 HydrophobicContact CD1-CD2 4.34Å; L33-L64 HydrophobicContact CD2-CD2 3.93Å; L33-L64 HydrophobicContact CG-CD2 4.1Å; L33-L68 HydrophobicContact CD2-CD1 3.58Å
34S86.4Confident84.5Confident77 Ų7751 Ų5154%0.53825%0.253SS..Hα-helixtrans-63.9-33.8177.7-56.70000112.3G30 M31 L32G30-S34 WeakPolarHBondContact O-CB 3.21Å; G30-S34 PolarHBondContact O-N 3.22Å; G30-S34 PolarHBondContact O-OG 2.95Å; M31-S34 PolarHBondContact O-N 3.43Å; L32-S34 VanDerWaalsContact C-N 3.32Å; L32-S34 PolarHBondContact O-N 2.83Å
35L85.5Confident84.8Confident71 Ų7151 Ų5137%0.37225%0.253SS..Hα-helixtrans-77.5-34.9177.5-70.5168.5000112.8M31 L32 L33 G37 L47 L184M31-L35 WeakPolarHBondContact O-CG 3.09Å; M31-L35 PolarHBondContact O-N 3.3Å; L32-L35 PolarHBondContact O-N 3.35Å; L32-L35 VanDerWaalsContact O-N 3.17Å; L33-L35 VanDerWaalsContact C-N 3.27Å; L33-L35 PolarHBondContact O-N 3.27Å; L35-G37 VanDerWaalsContact C-N 3.3Å; L35-L47 HydrophobicContact CD1-CD1 4.19Å; L35-L184 HydrophobicContact CD1-CD2 3.45Å; L35-L184 VanDerWaalsContact CD1-CD2 3.45Å; L35-L184 HydrophobicContact CD2-CD2 3.33Å; L35-L184 HydrophobicContact CG-CD2 3.99Å
36M83Confident85.1Confident9 Ų950.8 Ų50.84%0.04425%0.252CS..Hα-helixtrans-71.8-28.6176.1-68.917179.300111.5L32 L33 M65 L70 Y130L32-M36 WeakPolarHBondContact O-CB 3.27Å; L32-M36 WeakPolarHBondContact O-CG 3.49Å; L32-M36 PolarHBondContact O-N 3.24Å; L33-M36 PolarHBondContact O-N 3.02Å; M36-M65 HydrophobicContact CE-CE 3.54Å; M36-M65 HydrophobicContact CE-SD 3.84Å; M36-M65 HydrophobicContact SD-CE 4.36Å; M36-L70 HydrophobicContact CE-CD1 3.27Å; M36-Y130 HydrophobicContact CE-CD1 4.24Å; M36-Y130 HydrophobicContact CE-CD2 4.25Å; M36-Y130 HydrophobicContact CE-CE1 3.67Å; M36-Y130 HydrophobicContact CE-CE2 3.68Å; M36-Y130 HydrophobicContact CG-CE1 4.12Å
37G83.1Confident85.6Confident7 Ų748.7 Ų48.77%0.07224%0.242CC..  trans63.1-146.1175.500000112.3Y10 L33 L35Y10-G37 WeakPolarHBondContact CE2-O 3.39Å; Y10-G37 PolarHBondContact OH-O 3.04Å; L33-G37 PolarHBondContact O-N 2.89Å; L35-G37 VanDerWaalsContact C-N 3.3Å
38E81.8Confident86Confident71 Ų7145.6 Ų45.633%0.33222%0.224SC..SBendtrans-80.8146.6170.9-65.4174.1171.500110.7Q40 Q41E38-Q40 PolarHBondContact O-N 3.17Å; E38-Q41 HydrophobicContact CB-CG 3.98Å; E38-Q41 VanDerWaalsContact CD-NE2 3.28Å; E38-Q41 WeakPolarHBondContact O-CB 3.5Å; E38-Q41 PolarHBondContact O-N 3.02Å; E38-Q41 PolarHBondContact OE2-NE2 3.42Å
39P78.1Confident86.3Confident20 Ų2044.4 Ų44.413%0.1322%0.218CC..THydrogen-bonded Turntrans-55.2-23.8-177.4-27.133.6000115.4Y10 L70 Q127 T128Y10-P39 HydrophobicContact CE1-CG 3.68Å; P39-L70 HydrophobicContact CB-CD2 4.34Å; P39-L70 HydrophobicContact CG-CD2 4.29Å; P39-Q127 HydrophobicContact CB-CB 4.31Å; P39-Q127 HydrophobicContact CB-CG 3.94Å; P39-Q127 CarbonylContact O-C 3.49Å; P39-Q127 WeakPolarHBondContact O-CA 3.35Å; P39-T128 PolarHBondContact O-N 3.37Å; P39-T128 PolarHBondContact O-OG1 3.28Å
40Q79.1Confident86.6Confident148 Ų14847.1 Ų47.169%0.69223%0.229SC*.THydrogen-bonded Turntrans-90.3-15.3-177.1-63.8161.11700112.7E38E38-Q40 PolarHBondContact O-N 3.17Å
41Q82.7Confident87Confident93 Ų9347.2 Ų47.244%0.43523%0.229SC..SBendtrans-81.1153-179-67174.37.100110.4E38 C43 T128 N160E38-Q41 HydrophobicContact CB-CG 3.98Å; E38-Q41 VanDerWaalsContact CD-NE2 3.28Å; E38-Q41 WeakPolarHBondContact O-CB 3.5Å; E38-Q41 PolarHBondContact O-N 3.02Å; E38-Q41 PolarHBondContact OE2-NE2 3.42Å; Q41-C43 PolarHBondContact O-N 3.49Å; Q41-T128 PolarHBondContact O-OG1 2.9Å; Q41-N160 PolarHBondContact O-ND2 3.45Å
42Y80.8Confident87.1Confident176 Ų17648 Ų4869%0.6923%0.232SC*.PPolyproline II helixtrans-70.9120.1173.4-78.3-87.8000109.9N160Y42-N160 HydrophobicContact CD1-CB 3.91Å; Y42-N160 HydrophobicContact CE1-CB 3.75Å
43C83.1Confident87Confident14 Ų1455.4 Ų55.410%0.09526%0.26CS..PPolyproline II helixtrans-82.9161.7172.6-175.50000110.2Q41 T128 Q154 N160Q41-C43 PolarHBondContact O-N 3.49Å; C43-T128 HydrophobicContact CB-CG2 3.83Å; C43-Q154 PolarHBondContact O-NE2 3.32Å; C43-Q154 PolarHBondContact O-OE1 2.95Å; C43-N160 PolarHBondContact N-OD1 3.09Å
44Y86.6Confident87Confident99 Ų9956.1 Ų56.139%0.38827%0.265SS..PPolyproline II helixtrans-59.7138.6173.4-162.5-92.4000110.7S46 S162 F181 E182 L184Y44-S46 VanDerWaalsContact C-N 3.34Å; Y44-S46 WeakPolarHBondContact CD1-O 3.44Å; Y44-S46 WeakPolarHBondContact CE1-O 3.45Å; Y44-S46 PolarHBondContact O-N 3.04Å; Y44-S162 PolarHBondContact O-OG 2.93Å; Y44-F181 AromaticContact CE1-CE1 3.72Å; Y44-F181 HydrophobicContact CE1-CE1 3.72Å; Y44-F181 HydrophobicContact CE1-CZ 4.11Å; Y44-F181 AromaticContact CZ-CE1 3.89Å; Y44-F181 AromaticContact CZ-CZ 3.81Å; Y44-F181 WeakPolarHBondContact OH-CZ 3.45Å; Y44-E182 PolarHBondContact OH-O 3.01Å; Y44-L184 HydrophobicContact CD1-CB 3.97Å; Y44-L184 HydrophobicContact CE1-CB 4Å
45P88.8Confident87Confident27 Ų2752.5 Ų52.518%0.17524%0.24CC..SBendtrans-59.7-39.1-169.5-17.217.7000114.7Q154 V163 F181P45-Q154 HydrophobicContact CB-CB 4.02Å; P45-V163 PolarHBondContact O-N 3.46Å; P45-F181 HydrophobicContact CB-CE1 4.19Å; P45-F181 HydrophobicContact CG-CE1 3.9Å; P45-F181 HydrophobicContact CG-CZ 3.89Å
46S92.3Very high87.1Confident0 Ų049.9 Ų49.90%023%0.23CC..EExtended strand (participates in β ladder)trans-143.9128.4-177.649.60000113Y44 L151 V163 P183 L184Y44-S46 VanDerWaalsContact C-N 3.34Å; Y44-S46 WeakPolarHBondContact CD1-O 3.44Å; Y44-S46 WeakPolarHBondContact CE1-O 3.45Å; Y44-S46 PolarHBondContact O-N 3.04Å; S46-L151 WeakPolarHBondContact OG-CD2 3.28Å; S46-L151 PolarHBondContact OG-O 3.42Å; S46-V163 CarbonylContact C-O 3.16Å; S46-V163 VanDerWaalsContact CA-O 3.25Å; S46-V163 WeakPolarHBondContact CA-O 3.37Å; S46-P183 VanDerWaalsContact O-CA 3.27Å; S46-P183 WeakPolarHBondContact O-CA 3.34Å; S46-P183 VanDerWaalsContact O-CB 3.28Å; S46-P183 WeakPolarHBondContact O-CB 3.21Å; S46-L184 PolarHBondContact O-N 2.88Å
47L94.4Very high87.5Confident15 Ų1550.1 Ų50.18%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-112.8131.7176.3-178.474000108.6L32 L35 I49 V163 I164 L165 L184 L186L32-L47 HydrophobicContact CD2-CD2 3.38Å; L35-L47 HydrophobicContact CD1-CD1 4.19Å; L47-I49 HydrophobicContact CD2-CD1 3.83Å; L47-I49 HydrophobicContact CD2-CG1 3.86Å; L47-I49 HydrophobicContact CG-CG1 4Å; L47-V163 PolarHBondContact N-O 3.01Å; L47-I164 HydrophobicContact CB-CG1 4.24Å; L47-I164 HydrophobicContact CD2-CD1 4.46Å; L47-I164 HydrophobicContact CD2-CG1 4.25Å; L47-I164 HydrophobicContact CD2-CG2 4.19Å; L47-I164 CarbonylContact O-C 3.54Å; L47-I164 WeakPolarHBondContact O-CA 3.49Å; L47-L165 PolarHBondContact O-N 3.33Å; L47-L184 HydrophobicContact CD1-CB 4.01Å; L47-L184 HydrophobicContact CD1-CD2 3.99Å; L47-L184 HydrophobicContact CD1-CG 4.22Å; L47-L184 WeakPolarHBondContact CD1-O 3.43Å; L47-L186 HydrophobicContact CD1-CB 4.32Å
48F95.3Very high87.9Confident0 Ų051.8 Ų51.80%024%0.242CC..EExtended strand (participates in β ladder)trans-115.1110.3176.8-177-94.5000110Y50 L165 I169 W171 F174 P183 L184 L185 L186F48-Y50 HydrophobicContact CD1-CD1 4.1Å; F48-Y50 HydrophobicContact CE1-CD1 4.08Å; F48-Y50 HydrophobicContact CE1-CG 4.11Å; F48-L165 HydrophobicContact CD2-CB 3.72Å; F48-L165 HydrophobicContact CD2-CD1 4.1Å; F48-L165 HydrophobicContact CE2-CB 4.38Å; F48-I169 VanDerWaalsContact CZ-O 3.28Å; F48-I169 WeakPolarHBondContact CZ-O 3.34Å; F48-W171 HydrophobicContact CB-CE3 4.34Å; F48-W171 HydrophobicContact CD1-CB 3.94Å; F48-W171 HydrophobicContact CD1-CE3 4.11Å; F48-W171 AromaticContact CD2-CE3 3.48Å; F48-W171 HydrophobicContact CD2-CE3 3.48Å; F48-W171 VanDerWaalsContact CD2-CE3 3.48Å; F48-W171 AromaticContact CD2-CZ3 3.79Å; F48-W171 HydrophobicContact CD2-CZ3 3.79Å; F48-W171 HydrophobicContact CE1-CB 3.79Å; F48-W171 HydrophobicContact CE1-CE3 4.24Å; F48-W171 AromaticContact CE2-CE3 3.68Å; F48-W171 HydrophobicContact CE2-CE3 3.68Å; F48-W171 HydrophobicContact CE2-CZ3 4.12Å; F48-W171 HydrophobicContact CG-CD2 4.47Å; F48-W171 AromaticContact CG-CE3 3.71Å; F48-W171 HydrophobicContact CG-CE3 3.71Å; F48-W171 HydrophobicContact CG-CZ3 4.33Å; F48-W171 HydrophobicContact CZ-CB 4.43Å; F48-W171 HydrophobicContact CZ-CE3 4.05Å; F48-F174 HydrophobicContact CE2-CD1 4.47Å; F48-F174 HydrophobicContact CE2-CD2 4.09Å; F48-F174 HydrophobicContact CE2-CE1 4.24Å; F48-F174 AromaticContact CE2-CE2 3.83Å; F48-F174 HydrophobicContact CE2-CE2 3.83Å; F48-F174 HydrophobicContact CE2-CG 4.4Å; F48-F174 AromaticContact CE2-CZ 3.91Å; F48-F174 HydrophobicContact CE2-CZ 3.91Å; F48-F174 AromaticContact CZ-CD2 3.88Å; F48-F174 HydrophobicContact CZ-CD2 3.88Å; F48-F174 AromaticContact CZ-CE2 3.56Å; F48-F174 HydrophobicContact CZ-CE2 3.56Å; F48-F174 HydrophobicContact CZ-CZ 4.06Å; F48-P183 HydrophobicContact CB-CB 3.93Å; F48-P183 HydrophobicContact CB-CG 3.71Å; F48-L184 PolarHBondContact N-O 2.76Å; F48-L185 HydrophobicContact CB-CD2 3.97Å; F48-L185 HydrophobicContact CD1-CD2 3.76Å; F48-L185 HydrophobicContact CG-CD2 4.21Å; F48-L186 PolarHBondContact O-N 2.91Å
49I95.6Very high88.3Confident0 Ų053.3 Ų53.30%025%0.249CC..EExtended strand (participates in β ladder)trans-102.4119.6179.6-48.7-176.2000109L32 L47 K57 V61 I164 L165 L166 S167 L186 F188L32-I49 HydrophobicContact CD1-CD1 4.39Å; L32-I49 HydrophobicContact CD2-CD1 3.9Å; L47-I49 HydrophobicContact CD2-CD1 3.83Å; L47-I49 HydrophobicContact CD2-CG1 3.86Å; L47-I49 HydrophobicContact CG-CG1 4Å; I49-K57 HydrophobicContact CG2-CB 4.46Å; I49-K57 HydrophobicContact CG2-CD 4.08Å; I49-K57 HydrophobicContact CG2-CG 4.29Å; I49-V61 HydrophobicContact CD1-CG2 3.82Å; I49-I164 HydrophobicContact CD1-CG2 3.71Å; I49-I164 HydrophobicContact CG1-CG2 4.07Å; I49-L165 PolarHBondContact N-O 3.45Å; I49-L166 HydrophobicContact CB-CD2 3.66Å; I49-L166 HydrophobicContact CD1-CD2 3.77Å; I49-L166 HydrophobicContact CG1-CD2 4.01Å; I49-L166 HydrophobicContact CG2-CD2 4.31Å; I49-L166 WeakPolarHBondContact O-CA 3.43Å; I49-S167 PolarHBondContact O-N 3.45Å; I49-L186 WeakPolarHBondContact CA-O 3.39Å; I49-L186 HydrophobicContact CD1-CD2 4.43Å; I49-L186 HydrophobicContact CG1-CB 4.34Å; I49-L186 HydrophobicContact CG1-CD2 4.43Å; I49-F188 HydrophobicContact CD1-CE2 4.45Å; I49-F188 HydrophobicContact CG2-CD2 3.21Å; I49-F188 HydrophobicContact CG2-CE2 3.31Å; I49-F188 HydrophobicContact CG2-CG 4.04Å; I49-F188 HydrophobicContact CG2-CZ 4.2Å
50Y94.8Very high88.9Confident58 Ų5852.4 Ų52.423%0.22724%0.243CC..EExtended strand (participates in β ladder)trans-126.8152.1179.375.7-78.7000112.8F48 S167 L186 H187 F188F48-Y50 HydrophobicContact CD1-CD1 4.1Å; F48-Y50 HydrophobicContact CE1-CD1 4.08Å; F48-Y50 HydrophobicContact CE1-CG 4.11Å; Y50-S167 WeakPolarHBondContact CA-O 3.15Å; Y50-L186 PolarHBondContact N-O 3.16Å; Y50-H187 AromaticContact CD2-CD2 3.96Å; Y50-H187 HydrophobicContact CE1-CB 3.88Å; Y50-H187 HydrophobicContact CE2-CB 4.35Å; Y50-H187 AromaticContact CE2-CD2 3.4Å; Y50-H187 VanDerWaalsContact CE2-CD2 3.4Å; Y50-H187 WeakPolarHBondContact CE2-CD2 3.46Å; Y50-H187 AromaticContact CZ-CD2 3.67Å; Y50-H187 AromaticContact CZ-CG 3.96Å; Y50-F188 PolarHBondContact O-N 2.87Å
51G92.8Very high89.5Confident4 Ų445.5 Ų45.54%0.04121%0.211CC..  trans165.8173.3-178.900000110.1K57 S167 E168 F188G51-K57 PolarHBondContact O-NZ 3.14Å; G51-S167 PolarHBondContact N-O 3.02Å; G51-E168 WeakPolarHBondContact O-CA 3.32Å; G51-F188 WeakPolarHBondContact CA-O 3.4Å
52H91Very high89.9Confident114 Ų11443 Ų4353%0.52820%0.2SC..  trans-65.9164.1-179.3-70-85.1000112.7A54 S55 K57 D190H52-A54 PolarHBondContact O-N 3.03Å; H52-A54 VanDerWaalsContact O-N 3.14Å; H52-S55 WeakPolarHBondContact O-CB 3.36Å; H52-S55 PolarHBondContact O-N 3.2Å; H52-S55 PolarHBondContact O-OG 3.43Å; H52-K57 PolarHBondContact O-NZ 3.45Å; H52-D190 VanDerWaalsContact CB-OD1 3.3Å; H52-D190 WeakPolarHBondContact CB-OD1 3.09Å; H52-D190 IonicContact CD2-OD1 2.66Å; H52-D190 PolarHBondContact CD2-OD1 3.36Å; H52-D190 IonicContact CD2-OD2 2.74Å; H52-D190 PolarHBondContact CD2-OD2 2.95Å; H52-D190 IonicContact CG-OD1 3.91Å; H52-D190 IonicContact NE2-OD2 3.94Å
53R85.4Confident90.4Very high158 Ų15835.1 Ų35.160%0.59617%0.17SC*.THydrogen-bonded Turntrans-49.2-40.9-177.2-164.3174.6-179.2-164.8-0.6114.2E168 R232R53-E168 WeakPolarHBondContact CA-OE1 3.49Å; R53-E168 WeakPolarHBondContact CB-OE1 3.32Å; R53-E168 WeakPolarHBondContact CG-OE1 3.45Å; R53-R232 VanDerWaalsContact CD-NH2 3.34Å; R53-R232 VanDerWaalsContact CG-NH2 3.33Å; R53-R232 VanDerWaalsContact NE-NH2 3.13Å
54A86.1Confident90.6Very high17 Ų1734.5 Ų34.514%0.1417%0.166CC..THydrogen-bonded Turntrans-94.59-172.300000114.8H52 G56 Y191 D230H52-A54 PolarHBondContact O-N 3.03Å; H52-A54 VanDerWaalsContact O-N 3.14Å; A54-G56 PolarHBondContact O-N 3.43Å; A54-Y191 VanDerWaalsContact O-CE2 3.26Å; A54-Y191 WeakPolarHBondContact O-CE2 3.39Å; A54-D230 HydrophobicContact CB-CB 3.96Å; A54-D230 WeakPolarHBondContact CB-OD1 3.47Å
55S87.5Confident90.7Very high1 Ų129.9 Ų29.91%0.00715%0.148CC..SBendtrans-75.1-1.5-176.454.30000114.5H52 K57 Y191H52-S55 WeakPolarHBondContact O-CB 3.36Å; H52-S55 PolarHBondContact O-N 3.2Å; H52-S55 PolarHBondContact O-OG 3.43Å; S55-K57 VanDerWaalsContact OG-CG 3.31Å; S55-K57 WeakPolarHBondContact OG-CG 3.47Å; S55-Y191 PolarHBondContact O-OH 3.16Å
56G87.2Confident90.7Very high16 Ų1635.4 Ų35.417%0.16517%0.17CC..  trans78.915.7175.800000115.3A54 S58 H59 V60A54-G56 PolarHBondContact O-N 3.43Å; G56-S58 PolarHBondContact O-N 3.14Å; G56-H59 WeakPolarHBondContact O-CB 3.39Å; G56-H59 PolarHBondContact O-N 2.77Å; G56-H59 VanDerWaalsContact O-N 3.11Å; G56-V60 WeakPolarHBondContact O-CG2 3.3Å; G56-V60 PolarHBondContact O-N 2.96Å
57K90.9Very high90.5Very high15 Ų1537.5 Ų37.57%0.06518%0.179CC..Hα-helixtrans-50.5-57.8-178-52.4-175.4-65.4-87.20112.8I49 G51 H52 S55 H59 V60 V61 L166 S167 F188I49-K57 HydrophobicContact CG2-CB 4.46Å; I49-K57 HydrophobicContact CG2-CD 4.08Å; I49-K57 HydrophobicContact CG2-CG 4.29Å; G51-K57 PolarHBondContact O-NZ 3.14Å; H52-K57 PolarHBondContact O-NZ 3.45Å; S55-K57 VanDerWaalsContact OG-CG 3.31Å; S55-K57 WeakPolarHBondContact OG-CG 3.47Å; K57-H59 VanDerWaalsContact C-N 3.28Å; K57-H59 PolarHBondContact O-N 3.14Å; K57-V60 PolarHBondContact O-N 3.08Å; K57-V61 WeakPolarHBondContact O-CG2 3.47Å; K57-V61 PolarHBondContact O-N 3.38Å; K57-L166 HydrophobicContact CB-CD2 4.45Å; K57-S167 WeakPolarHBondContact CE-O 3.2Å; K57-S167 PolarHBondContact NZ-O 2.74Å; K57-F188 HydrophobicContact CB-CD1 4.47Å; K57-F188 HydrophobicContact CD-CB 4.34Å; K57-F188 HydrophobicContact CG-CB 3.92Å; K57-F188 HydrophobicContact CG-CD1 3.94Å; K57-F188 HydrophobicContact CG-CG 3.91Å
58S91.1Very high89.9Confident42 Ų4237.3 Ų37.329%0.29418%0.178SC..Hα-helixtrans-59.8-39.4178.4-66.50000112.1G56 N62 E134G56-S58 PolarHBondContact O-N 3.14Å; S58-N62 WeakPolarHBondContact O-CB 3.4Å; S58-N62 PolarHBondContact O-N 3.44Å; S58-N62 PolarHBondContact O-ND2 3.21Å; S58-N62 VanDerWaalsContact O-ND2 3.12Å; S58-E134 WeakPolarHBondContact CB-OE1 3.45Å; S58-E134 PolarHBondContact OG-OE1 3.11Å
59H90.5Very high89.4Confident103 Ų10344.1 Ų44.148%0.47721%0.21SC..Hα-helixtrans-65.2-48.6180-178.164.4000111.5L22 G56 K57 V61 N62 V63L22-H59 VanDerWaalsContact CD2-CD2 3.47Å; L22-H59 WeakPolarHBondContact CD2-CD2 3.5Å; G56-H59 WeakPolarHBondContact O-CB 3.39Å; G56-H59 PolarHBondContact O-N 2.77Å; G56-H59 VanDerWaalsContact O-N 3.11Å; K57-H59 VanDerWaalsContact C-N 3.28Å; K57-H59 PolarHBondContact O-N 3.14Å; H59-V61 PolarHBondContact O-N 3.01Å; H59-N62 PolarHBondContact O-N 3.45Å; H59-V63 WeakPolarHBondContact O-CB 3.2Å; H59-V63 VanDerWaalsContact O-CG2 3.24Å; H59-V63 WeakPolarHBondContact O-CG2 2.92Å; H59-V63 PolarHBondContact O-N 3.42Å
60V91.6Very high88.9Confident1 Ų144.5 Ų44.51%0.00621%0.212CC..Hα-helixtrans-59.3-48.8177.7170.60000111.1L22 R25 A29 L32 G56 K57 V63 L64 F188L22-V60 HydrophobicContact CD1-CB 4.33Å; L22-V60 HydrophobicContact CD1-CG1 4.05Å; L22-V60 HydrophobicContact CD1-CG2 4.17Å; L22-V60 HydrophobicContact CD2-CB 4.43Å; L22-V60 HydrophobicContact CD2-CG2 3.85Å; R25-V60 HydrophobicContact CB-CG2 4.04Å; R25-V60 HydrophobicContact CG-CG2 4.32Å; A29-V60 HydrophobicContact CB-CG1 4.47Å; L32-V60 HydrophobicContact CD1-CG1 4.02Å; G56-V60 WeakPolarHBondContact O-CG2 3.3Å; G56-V60 PolarHBondContact O-N 2.96Å; K57-V60 PolarHBondContact O-N 3.08Å; V60-V63 PolarHBondContact O-N 3.33Å; V60-L64 HydrophobicContact CG1-CD1 3.79Å; V60-L64 HydrophobicContact CG1-CG 4.49Å; V60-L64 WeakPolarHBondContact O-CB 3.32Å; V60-L64 VanDerWaalsContact O-CG 3.24Å; V60-L64 WeakPolarHBondContact O-CG 3.36Å; V60-L64 PolarHBondContact O-N 3Å; V60-F188 HydrophobicContact CB-CE1 4.04Å; V60-F188 HydrophobicContact CB-CZ 4.41Å; V60-F188 HydrophobicContact CG1-CE1 4.2Å; V60-F188 HydrophobicContact CG1-CZ 4.14Å; V60-F188 HydrophobicContact CG2-CE1 4.02Å
61V91.3Very high88.6Confident3 Ų344 Ų442%0.01822%0.216CC..Hα-helixtrans-63.9-45.5179.6175.50000111.1L32 I49 K57 H59 V63 L64 M65 V132 L166L32-V61 HydrophobicContact CD1-CG2 4.44Å; I49-V61 HydrophobicContact CD1-CG2 3.82Å; K57-V61 WeakPolarHBondContact O-CG2 3.47Å; K57-V61 PolarHBondContact O-N 3.38Å; H59-V61 PolarHBondContact O-N 3.01Å; V61-V63 PolarHBondContact O-N 3.25Å; V61-L64 PolarHBondContact O-N 3.12Å; V61-M65 HydrophobicContact CG1-CE 4.22Å; V61-M65 HydrophobicContact CG1-CG 4.12Å; V61-M65 WeakPolarHBondContact O-CB 3.38Å; V61-M65 WeakPolarHBondContact O-CG 3.5Å; V61-M65 PolarHBondContact O-N 3.38Å; V61-V132 HydrophobicContact CG1-CB 4.46Å; V61-V132 HydrophobicContact CG1-CG1 3.87Å; V61-V132 HydrophobicContact CG1-CG2 3.71Å; V61-L166 HydrophobicContact CG2-CD2 4.23Å
62N91.3Very high88.4Confident39 Ų3946.1 Ų46.121%0.20922%0.224CC..Hα-helixtrans-66.9-38.4-178.9-69.2-19.7000112.6S58 H59 K66 T74S58-N62 WeakPolarHBondContact O-CB 3.4Å; S58-N62 PolarHBondContact O-N 3.44Å; S58-N62 PolarHBondContact O-ND2 3.21Å; S58-N62 VanDerWaalsContact O-ND2 3.12Å; H59-N62 PolarHBondContact O-N 3.45Å; N62-K66 VanDerWaalsContact O-CB 3.29Å; N62-K66 WeakPolarHBondContact O-CB 3.26Å; N62-K66 WeakPolarHBondContact O-CG 3.46Å; N62-K66 PolarHBondContact O-N 3.22Å; N62-T74 WeakPolarHBondContact OD1-CG2 3.49Å
63V90.1Very high88.5Confident11 Ų1141 Ų417%0.06720%0.201CC..Hα-helixtrans-64.7-47.7175.3168.70000110.2V18 Q21 L22 H59 V60 V61 M65 K66 E67V18-V63 HydrophobicContact CG2-CG1 4.44Å; Q21-V63 HydrophobicContact CB-CG1 4.2Å; L22-V63 HydrophobicContact CD1-CB 4.47Å; L22-V63 HydrophobicContact CD1-CG1 4.21Å; L22-V63 HydrophobicContact CD2-CB 4.16Å; L22-V63 HydrophobicContact CD2-CG1 4.28Å; L22-V63 HydrophobicContact CD2-CG2 4.17Å; L22-V63 HydrophobicContact CG-CB 4.47Å; L22-V63 HydrophobicContact CG-CG1 4.12Å; H59-V63 WeakPolarHBondContact O-CB 3.2Å; H59-V63 VanDerWaalsContact O-CG2 3.24Å; H59-V63 WeakPolarHBondContact O-CG2 2.92Å; H59-V63 PolarHBondContact O-N 3.42Å; V60-V63 PolarHBondContact O-N 3.33Å; V61-V63 PolarHBondContact O-N 3.25Å; V63-M65 PolarHBondContact O-N 3.1Å; V63-K66 PolarHBondContact O-N 3.19Å; V63-E67 HydrophobicContact CG1-CG 4.09Å; V63-E67 WeakPolarHBondContact O-CB 3.46Å; V63-E67 WeakPolarHBondContact O-CG 3.16Å; V63-E67 PolarHBondContact O-N 3.13Å
64L88.9Confident88.8Confident2 Ų236.7 Ų36.71%0.0119%0.193CC..Hα-helixtrans-58.3-47.7177.5-75169.2000111.8V18 A29 L32 L33 V60 V61 K66 L68V18-L64 HydrophobicContact CG1-CD2 3.66Å; V18-L64 HydrophobicContact CG1-CG 4.47Å; V18-L64 HydrophobicContact CG2-CD2 4.44Å; A29-L64 HydrophobicContact CB-CD1 4.48Å; L32-L64 HydrophobicContact CB-CD1 4.12Å; L32-L64 HydrophobicContact CD1-CD1 3.82Å; L33-L64 HydrophobicContact CD1-CD2 4.34Å; L33-L64 HydrophobicContact CD2-CD2 3.93Å; L33-L64 HydrophobicContact CG-CD2 4.1Å; V60-L64 HydrophobicContact CG1-CD1 3.79Å; V60-L64 HydrophobicContact CG1-CG 4.49Å; V60-L64 WeakPolarHBondContact O-CB 3.32Å; V60-L64 VanDerWaalsContact O-CG 3.24Å; V60-L64 WeakPolarHBondContact O-CG 3.36Å; V60-L64 PolarHBondContact O-N 3Å; V61-L64 PolarHBondContact O-N 3.12Å; L64-K66 PolarHBondContact O-N 2.92Å; L64-L68 VanDerWaalsContact O-CB 3.24Å; L64-L68 WeakPolarHBondContact O-CB 3.24Å; L64-L68 WeakPolarHBondContact O-CG 3.38Å; L64-L68 PolarHBondContact O-N 3.02Å; L64-L68 VanDerWaalsContact O-N 3.13Å
65M88.9Confident89Confident2 Ų236 Ų361%0.0119%0.186CC..Hα-helixtrans-67.4-35-177.9-65.6-65.417600112.8M36 V61 V63 E69 L70 H72 Y130 V132 I164M36-M65 HydrophobicContact CE-CE 3.54Å; M36-M65 HydrophobicContact CE-SD 3.84Å; M36-M65 HydrophobicContact SD-CE 4.36Å; V61-M65 HydrophobicContact CG1-CE 4.22Å; V61-M65 HydrophobicContact CG1-CG 4.12Å; V61-M65 WeakPolarHBondContact O-CB 3.38Å; V61-M65 WeakPolarHBondContact O-CG 3.5Å; V61-M65 PolarHBondContact O-N 3.38Å; V63-M65 PolarHBondContact O-N 3.1Å; M65-E69 PolarHBondContact O-N 3.5Å; M65-L70 PolarHBondContact O-N 3.02Å; M65-L70 HydrophobicContact SD-CB 4.23Å; M65-L70 HydrophobicContact SD-CD1 4.1Å; M65-H72 HydrophobicContact CB-CB 4.23Å; M65-H72 HydrophobicContact CG-CB 4.21Å; M65-H72 HydrophobicContact SD-CB 4.02Å; M65-Y130 HydrophobicContact CE-CD1 3.81Å; M65-Y130 HydrophobicContact CE-CD2 4.17Å; M65-Y130 HydrophobicContact CE-CE1 4.45Å; M65-Y130 HydrophobicContact CE-CG 3.64Å; M65-Y130 HydrophobicContact SD-CD2 3.89Å; M65-Y130 HydrophobicContact SD-CG 3.91Å; M65-V132 HydrophobicContact CE-CG2 4.38Å; M65-I164 HydrophobicContact CE-CD1 3.42Å; M65-I164 VanDerWaalsContact CE-CD1 3.42Å
66K88.5Confident89.2Confident143 Ų14337.2 Ų37.262%0.62220%0.195SC*.Hα-helixtrans-75.5-49.5178.3-74.8177.9179.4-176.10112.9N62 V63 L64 L68 E69N62-K66 VanDerWaalsContact O-CB 3.29Å; N62-K66 WeakPolarHBondContact O-CB 3.26Å; N62-K66 WeakPolarHBondContact O-CG 3.46Å; N62-K66 PolarHBondContact O-N 3.22Å; V63-K66 PolarHBondContact O-N 3.19Å; L64-K66 PolarHBondContact O-N 2.92Å; K66-L68 VanDerWaalsContact C-N 3.33Å; K66-L68 PolarHBondContact O-N 3.37Å; K66-E69 PolarHBondContact O-N 2.94Å; K66-E69 VanDerWaalsContact O-N 3.16Å
67E86.8Confident89.3Confident43 Ų4336.8 Ų36.820%0.20119%0.189CC..Hα-helixtrans-68-34.7-176.6-69.2-68.7157.500111.9K14 V18 Q21 V63 E69K14-E67 WeakPolarHBondContact CD-O 3.5Å; V18-E67 HydrophobicContact CG2-CB 3.65Å; V18-E67 HydrophobicContact CG2-CG 3.92Å; Q21-E67 PolarHBondContact NE2-OE1 2.92Å; V63-E67 HydrophobicContact CG1-CG 4.09Å; V63-E67 WeakPolarHBondContact O-CB 3.46Å; V63-E67 WeakPolarHBondContact O-CG 3.16Å; V63-E67 PolarHBondContact O-N 3.13Å; E67-E69 VanDerWaalsContact C-N 3.28Å
68L83.3Confident89.2Confident11 Ų1139.7 Ų39.76%0.05821%0.209CC..THydrogen-bonded Turntrans-83.4-3.8176.1-58.8177.3000113.4Y10 K14 L33 L64 K66 L70Y10-L68 HydrophobicContact CD1-CB 4.45Å; Y10-L68 HydrophobicContact CD1-CD1 4.26Å; Y10-L68 HydrophobicContact CD1-CD2 3.64Å; Y10-L68 HydrophobicContact CD1-CG 4.33Å; Y10-L68 HydrophobicContact CE1-CB 4.21Å; Y10-L68 HydrophobicContact CE1-CD1 3.97Å; Y10-L68 HydrophobicContact CE1-CD2 4.14Å; Y10-L68 HydrophobicContact CE1-CG 4.34Å; Y10-L68 HydrophobicContact CE2-CD1 4.47Å; Y10-L68 HydrophobicContact CG-CD2 3.97Å; K14-L68 HydrophobicContact CB-CD2 4.43Å; L33-L68 HydrophobicContact CD2-CD1 3.58Å; L64-L68 VanDerWaalsContact O-CB 3.24Å; L64-L68 WeakPolarHBondContact O-CB 3.24Å; L64-L68 WeakPolarHBondContact O-CG 3.38Å; L64-L68 PolarHBondContact O-N 3.02Å; L64-L68 VanDerWaalsContact O-N 3.13Å; K66-L68 VanDerWaalsContact C-N 3.33Å; K66-L68 PolarHBondContact O-N 3.37Å; L68-L70 HydrophobicContact CB-CD1 3.96Å; L68-L70 HydrophobicContact CB-CG 3.8Å; L68-L70 HydrophobicContact CD1-CD1 4.04Å; L68-L70 PolarHBondContact O-N 3.26Å
69E84.4Confident89.1Confident144 Ų14443.6 Ų43.667%0.67322%0.222SC*.THydrogen-bonded Turntrans52.737.5-180-61171145.700112.9K14 M65 K66 E67K14-E69 IonicContact NZ-OE2 2.74Å; K14-E69 PolarHBondContact NZ-OE2 3.47Å; M65-E69 PolarHBondContact O-N 3.5Å; K66-E69 PolarHBondContact O-N 2.94Å; K66-E69 VanDerWaalsContact O-N 3.16Å; E67-E69 VanDerWaalsContact C-N 3.28Å
70L85.1Confident88.7Confident8 Ų839.5 Ų39.54%0.04221%0.205CC..  trans-77.9143.9-179.5-64.5171.4000110.5Y10 M36 P39 M65 L68 H72 Y130Y10-L70 HydrophobicContact CE1-CD2 4.24Å; M36-L70 HydrophobicContact CE-CD1 3.27Å; P39-L70 HydrophobicContact CB-CD2 4.34Å; P39-L70 HydrophobicContact CG-CD2 4.29Å; M65-L70 PolarHBondContact O-N 3.02Å; M65-L70 HydrophobicContact SD-CB 4.23Å; M65-L70 HydrophobicContact SD-CD1 4.1Å; L68-L70 HydrophobicContact CB-CD1 3.96Å; L68-L70 HydrophobicContact CB-CG 3.8Å; L68-L70 HydrophobicContact CD1-CD1 4.04Å; L68-L70 PolarHBondContact O-N 3.26Å; L70-H72 PolarHBondContact O-N 2.74Å; L70-H72 PolarHBondContact O-ND1 3.17Å; L70-Y130 HydrophobicContact CB-CD2 4.14Å; L70-Y130 HydrophobicContact CB-CE2 4.21Å; L70-Y130 HydrophobicContact CD1-CD2 4.38Å; L70-Y130 HydrophobicContact CD1-CE2 3.87Å; L70-Y130 HydrophobicContact CD2-CE2 4.47Å; L70-Y130 HydrophobicContact CG-CE2 4.42Å
71P87Confident88.3Confident46 Ų4645.9 Ų45.930%0.29924%0.244SC..  trans-69.9104.1177.427.9-31.6000109.3Q127 T128 R129 Y130P71-Q127 HydrophobicContact CG-CB 4.32Å; P71-T128 WeakPolarHBondContact CG-O 3.33Å; P71-R129 HydrophobicContact CG-CG 4.44Å; P71-R129 WeakPolarHBondContact O-CA 3.33Å; P71-Y130 PolarHBondContact O-N 2.79Å
72H90.4Very high88Confident49 Ų4948.3 Ų48.323%0.22726%0.26CS..EExtended strand (participates in β ladder)trans-135.2154.8-174.870.9-77.6000112.5M65 L70 Y130M65-H72 HydrophobicContact CB-CB 4.23Å; M65-H72 HydrophobicContact CG-CB 4.21Å; M65-H72 HydrophobicContact SD-CB 4.02Å; L70-H72 PolarHBondContact O-N 2.74Å; L70-H72 PolarHBondContact O-ND1 3.17Å; H72-Y130 CarbonylContact C-O 3.43Å; H72-Y130 WeakPolarHBondContact CA-O 3.39Å
73V91.5Very high87.7Confident6 Ų648.4 Ų48.44%0.03626%0.264CS..EExtended strand (participates in β ladder)trans-126.9126.5172.8-174.80000108.4V75 S93 F94 Y130 V132V73-V75 HydrophobicContact CG1-CG2 3.79Å; V73-S93 VanDerWaalsContact CG2-CB 3.46Å; V73-S93 WeakPolarHBondContact CG2-OG 3.24Å; V73-F94 HydrophobicContact CB-CE2 4.38Å; V73-F94 HydrophobicContact CB-CZ 4.27Å; V73-F94 HydrophobicContact CG2-CD1 3.8Å; V73-F94 HydrophobicContact CG2-CD2 3.76Å; V73-F94 HydrophobicContact CG2-CE1 3.54Å; V73-F94 HydrophobicContact CG2-CE2 3.51Å; V73-F94 HydrophobicContact CG2-CG 3.91Å; V73-F94 HydrophobicContact CG2-CZ 3.39Å; V73-Y130 PolarHBondContact N-O 2.94Å; V73-V132 PolarHBondContact O-N 3.05Å
74T91.6Very high87.6Confident69 Ų6949 Ų4942%0.42327%0.27SS..EExtended strand (participates in β ladder)trans-101.4117.3172.655.20000109.5N62 V132N62-T74 WeakPolarHBondContact OD1-CG2 3.49Å; T74-V132 WeakPolarHBondContact CA-O 3.23Å; T74-V132 HydrophobicContact CG2-CB 4.22Å
75V91.8Very high87.5Confident1 Ų152.3 Ų52.31%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-118.2128.9179.2177.20000109.4V73 C80 Q89 V90 V132 M133 E134V73-V75 HydrophobicContact CG1-CG2 3.79Å; V75-C80 VanDerWaalsContact CG1-SG 3.58Å; V75-Q89 HydrophobicContact CG2-CB 4.45Å; V75-V90 HydrophobicContact CG2-CG2 4.07Å; V75-V132 PolarHBondContact N-O 3.11Å; V75-M133 HydrophobicContact CB-CE 4.3Å; V75-M133 HydrophobicContact CB-SD 3.89Å; V75-M133 HydrophobicContact CG1-CE 4.05Å; V75-M133 HydrophobicContact CG1-SD 4.28Å; V75-M133 HydrophobicContact CG2-SD 4.46Å; V75-M133 WeakPolarHBondContact O-CA 3.3Å; V75-E134 PolarHBondContact O-N 3.42Å
76S91.1Very high87.5Confident27 Ų2752.4 Ų52.419%0.18929%0.288CS..EExtended strand (participates in β ladder)trans-88.4121.9170.3-177.50000110.7V78 E79 C80S76-V78 PolarHBondContact O-N 3.41Å; S76-V78 PolarHBondContact OG-N 2.82Å; S76-E79 PolarHBondContact O-N 3.17Å; S76-C80 PolarHBondContact O-N 3.33Å
77C88.5Confident87.5Confident7 Ų745.8 Ų45.85%0.04726%0.26CS..THydrogen-bonded Turntrans-66.6-17.3176.5-58.50000112.8E134 Q135 L138C77-E134 WeakPolarHBondContact CB-O 3.31Å; C77-E134 PolarHBondContact N-O 3.22Å; C77-E134 PolarHBondContact SG-O 2.9Å; C77-Q135 WeakPolarHBondContact CB-O 3.45Å; C77-L138 HydrophobicContact CB-CB 4.15Å; C77-L138 HydrophobicContact CB-CD1 4.42Å
78V89.3Confident87.5Confident77 Ų7747.7 Ų47.747%0.46727%0.268SS..THydrogen-bonded Turntrans-73.4-38.1175174.20000111.2S76 Q135 L138S76-V78 PolarHBondContact O-N 3.41Å; S76-V78 PolarHBondContact OG-N 2.82Å; V78-Q135 HydrophobicContact CG2-CB 4.31Å; V78-Q135 VanDerWaalsContact CG2-CD 3.49Å; V78-L138 HydrophobicContact CB-CD1 4.2Å; V78-L138 HydrophobicContact CG2-CD1 3.51Å
79E88.4Confident87.7Confident124 Ų12449.8 Ų49.858%0.57928%0.278SS*.THydrogen-bonded Turntrans-72.7-35.7178-168.3-177.4165.500111S76 V81 Q89S76-E79 PolarHBondContact O-N 3.17Å; E79-V81 PolarHBondContact O-N 3.3Å; E79-Q89 PolarHBondContact OE1-NE2 2.83Å
80C83.4Confident87.9Confident16 Ų1643 Ų4311%0.10825%0.246CC..  trans-81.877.2179.3-70.70000112.4V75 S76 S82 L86 Q89V75-C80 VanDerWaalsContact CG1-SG 3.58Å; S76-C80 PolarHBondContact O-N 3.33Å; C80-S82 PolarHBondContact O-N 2.87Å; C80-L86 HydrophobicContact CB-CB 4.16Å; C80-Q89 PolarHBondContact SG-OE1 3.47Å
81V83Confident88Confident136 Ų13642.6 Ų42.682%0.82424%0.244SC*.  trans-65.1-27.5176.3-173.80000112.3E79E79-V81 PolarHBondContact O-N 3.3Å
82S85.8Confident88Confident53 Ų5344.2 Ų44.237%0.37125%0.25SC..SBendtrans-123150.9176.673.90000111.5C80 A84 L85 L86C80-S82 PolarHBondContact O-N 2.87Å; S82-A84 PolarHBondContact O-N 2.94Å; S82-L85 PolarHBondContact O-N 2.71Å; S82-L85 WeakPolarHBondContact OG-CG 3.37Å; S82-L85 PolarHBondContact OG-N 2.92Å; S82-L86 PolarHBondContact O-N 2.89Å
83S84.9Confident87.8Confident41 Ų4145 Ų4529%0.28726%0.261SS..Hα-helixtrans-60.8-24.6174.7560000112.7L86 F87S83-L86 PolarHBondContact O-N 3.01Å; S83-F87 WeakPolarHBondContact O-CD2 3.27Å; S83-F87 WeakPolarHBondContact O-CG 3.27Å; S83-F87 PolarHBondContact O-N 2.93Å; S83-F87 VanDerWaalsContact O-N 3.09Å
84A86.7Confident87.4Confident24 Ų2446.6 Ų46.620%0.19827%0.268CS..Hα-helixtrans-63.9-46.817700000112.3S82 L86 F87 E88 P107S82-A84 PolarHBondContact O-N 2.94Å; A84-L86 VanDerWaalsContact C-N 3.28Å; A84-L86 PolarHBondContact O-N 3.23Å; A84-F87 PolarHBondContact O-N 2.66Å; A84-E88 WeakPolarHBondContact O-CB 3.38Å; A84-E88 PolarHBondContact O-N 3.05Å; A84-P107 VanDerWaalsContact CA-CG 3.49Å; A84-P107 VanDerWaalsContact CB-CD 3.44Å; A84-P107 HydrophobicContact CB-CG 3.35Å
85L87.7Confident86.9Confident72 Ų7244.7 Ų44.738%0.37725%0.253SS..Hα-helixtrans-63.8-37.4178.4-65.6172000111.4S82 E88 Q89S82-L85 PolarHBondContact O-N 2.71Å; S82-L85 WeakPolarHBondContact OG-CG 3.37Å; S82-L85 PolarHBondContact OG-N 2.92Å; L85-E88 PolarHBondContact O-N 3.33Å; L85-Q89 WeakPolarHBondContact O-CB 3.29Å; L85-Q89 WeakPolarHBondContact O-CG 3.28Å; L85-Q89 PolarHBondContact O-N 2.9Å
86L88.2Confident86.4Confident4 Ų446 Ų462%0.02127%0.267CS..Hα-helixtrans-61-49.8175-177160.9000111.1C80 S82 S83 A84 E88 Q89 V90 M133 L139 L146C80-L86 HydrophobicContact CB-CB 4.16Å; S82-L86 PolarHBondContact O-N 2.89Å; S83-L86 PolarHBondContact O-N 3.01Å; A84-L86 VanDerWaalsContact C-N 3.28Å; A84-L86 PolarHBondContact O-N 3.23Å; L86-E88 VanDerWaalsContact C-N 3.32Å; L86-E88 PolarHBondContact O-N 3.21Å; L86-Q89 PolarHBondContact O-N 3.49Å; L86-V90 HydrophobicContact CD2-CG2 4.39Å; L86-V90 VanDerWaalsContact O-CG2 3.31Å; L86-V90 WeakPolarHBondContact O-CG2 3.47Å; L86-V90 PolarHBondContact O-N 2.99Å; L86-V90 VanDerWaalsContact O-N 3.08Å; L86-M133 HydrophobicContact CD1-CE 3.38Å; L86-M133 HydrophobicContact CG-CE 3.98Å; L86-L139 HydrophobicContact CD1-CD2 4.04Å; L86-L146 HydrophobicContact CD1-CD2 4.22Å
87F88.3Confident85.5Confident4 Ų449.1 Ų49.12%0.01829%0.288CS..Hα-helixtrans-62.9-40.5178.2-61.6-32.1000112S83 A84 V90 L91 P107 L109 F112 L146S83-F87 WeakPolarHBondContact O-CD2 3.27Å; S83-F87 WeakPolarHBondContact O-CG 3.27Å; S83-F87 PolarHBondContact O-N 2.93Å; S83-F87 VanDerWaalsContact O-N 3.09Å; A84-F87 PolarHBondContact O-N 2.66Å; F87-V90 PolarHBondContact O-N 3.4Å; F87-L91 WeakPolarHBondContact O-CB 3.37Å; F87-L91 WeakPolarHBondContact O-CG 3.38Å; F87-L91 PolarHBondContact O-N 2.89Å; F87-P107 HydrophobicContact CD2-CB 4.4Å; F87-P107 HydrophobicContact CD2-CG 4.32Å; F87-L109 HydrophobicContact CZ-CB 4.42Å; F87-L109 HydrophobicContact CZ-CD1 4.09Å; F87-F112 HydrophobicContact CB-CB 4.28Å; F87-F112 HydrophobicContact CB-CD2 3.56Å; F87-F112 HydrophobicContact CB-CE2 4.14Å; F87-F112 HydrophobicContact CB-CG 4.08Å; F87-F112 HydrophobicContact CD1-CB 4.12Å; F87-F112 AromaticContact CD1-CD1 3.87Å; F87-F112 HydrophobicContact CD1-CD1 3.87Å; F87-F112 AromaticContact CD1-CD2 3.77Å; F87-F112 HydrophobicContact CD1-CD2 3.77Å; F87-F112 HydrophobicContact CD1-CE1 4.19Å; F87-F112 HydrophobicContact CD1-CE2 4.09Å; F87-F112 AromaticContact CD1-CG 3.64Å; F87-F112 HydrophobicContact CD1-CG 3.64Å; F87-F112 HydrophobicContact CD1-CZ 4.29Å; F87-F112 HydrophobicContact CD2-CB 4.08Å; F87-F112 HydrophobicContact CD2-CG 4.45Å; F87-F112 HydrophobicContact CE1-CD1 4.09Å; F87-F112 HydrophobicContact CE1-CE1 4.49Å; F87-F112 HydrophobicContact CE1-CG 4.21Å; F87-F112 HydrophobicContact CE2-CB 4.49Å; F87-F112 HydrophobicContact CG-CB 3.9Å; F87-F112 HydrophobicContact CG-CD1 4.48Å; F87-F112 AromaticContact CG-CD2 3.8Å; F87-F112 HydrophobicContact CG-CD2 3.8Å; F87-F112 HydrophobicContact CG-CE2 4.44Å; F87-F112 AromaticContact CG-CG 3.8Å; F87-F112 HydrophobicContact CG-CG 3.8Å; F87-L146 HydrophobicContact CE1-CD1 3.76Å; F87-L146 HydrophobicContact CZ-CD1 3.75Å
88E87.8Confident84.6Confident83 Ų8354.3 Ų54.339%0.38832%0.315SS..Hα-helixtrans-62.6-48.7177.3-170.9178.6176.800111.8A84 L85 L86 V90 L91 L92 A100 L103A84-E88 WeakPolarHBondContact O-CB 3.38Å; A84-E88 PolarHBondContact O-N 3.05Å; L85-E88 PolarHBondContact O-N 3.33Å; L86-E88 VanDerWaalsContact C-N 3.32Å; L86-E88 PolarHBondContact O-N 3.21Å; E88-V90 VanDerWaalsContact C-N 3.35Å; E88-V90 PolarHBondContact O-N 2.92Å; E88-L91 PolarHBondContact O-N 3.33Å; E88-L92 WeakPolarHBondContact O-CB 3.34Å; E88-L92 PolarHBondContact O-N 2.91Å; E88-A100 HydrophobicContact CG-CB 4.05Å; E88-L103 HydrophobicContact CB-CD1 3.87Å; E88-L103 HydrophobicContact CG-CD1 4.28Å
89Q88Confident83.7Confident54 Ų5450.6 Ų50.625%0.25229%0.293SS..Hα-helixtrans-61.1-42.3178.2-76.7-168.7-11.100112.1V75 E79 C80 L85 L86 L92 S93V75-Q89 HydrophobicContact CG2-CB 4.45Å; E79-Q89 PolarHBondContact OE1-NE2 2.83Å; C80-Q89 PolarHBondContact SG-OE1 3.47Å; L85-Q89 WeakPolarHBondContact O-CB 3.29Å; L85-Q89 WeakPolarHBondContact O-CG 3.28Å; L85-Q89 PolarHBondContact O-N 2.9Å; L86-Q89 PolarHBondContact O-N 3.49Å; Q89-L92 PolarHBondContact O-N 3.24Å; Q89-S93 WeakPolarHBondContact O-CB 3.24Å; Q89-S93 PolarHBondContact O-N 3.13Å
90V88.4Confident82.7Confident2 Ų245.2 Ų45.21%0.01227%0.269CS..Hα-helixtrans-64.3-46.3177.9173.20000111.1V75 L86 F87 E88 F94 F112 Y116 I131V75-V90 HydrophobicContact CG2-CG2 4.07Å; L86-V90 HydrophobicContact CD2-CG2 4.39Å; L86-V90 VanDerWaalsContact O-CG2 3.31Å; L86-V90 WeakPolarHBondContact O-CG2 3.47Å; L86-V90 PolarHBondContact O-N 2.99Å; L86-V90 VanDerWaalsContact O-N 3.08Å; F87-V90 PolarHBondContact O-N 3.4Å; E88-V90 VanDerWaalsContact C-N 3.35Å; E88-V90 PolarHBondContact O-N 2.92Å; V90-F94 HydrophobicContact CG1-CD2 3.83Å; V90-F94 HydrophobicContact CG1-CE2 3.9Å; V90-F94 WeakPolarHBondContact O-CD2 3.2Å; V90-F94 PolarHBondContact O-N 3.45Å; V90-F112 HydrophobicContact CB-CE2 4.31Å; V90-F112 HydrophobicContact CB-CZ 4.49Å; V90-F112 HydrophobicContact CG1-CE2 4.14Å; V90-F112 HydrophobicContact CG1-CZ 4Å; V90-Y116 HydrophobicContact CG1-CE2 4.44Å; V90-I131 HydrophobicContact CG1-CD1 3.93Å; V90-I131 HydrophobicContact CG2-CG2 4.36Å
91L86.9Confident82.3Confident0 Ų048.9 Ų48.90%030%0.295CS..Hα-helixtrans-66.9-40.8178.6-70.5-177.7000112.1F87 E88 S93 F94 F95 G96 A99 L103 F112 I115 Y116F87-L91 WeakPolarHBondContact O-CB 3.37Å; F87-L91 WeakPolarHBondContact O-CG 3.38Å; F87-L91 PolarHBondContact O-N 2.89Å; E88-L91 PolarHBondContact O-N 3.33Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 3.47Å; L91-F94 PolarHBondContact O-N 3.23Å; L91-F95 HydrophobicContact CD2-CD2 3.87Å; L91-F95 HydrophobicContact CD2-CE2 3.99Å; L91-F95 PolarHBondContact O-N 2.82Å; L91-G96 PolarHBondContact O-N 3.43Å; L91-A99 HydrophobicContact CB-CB 4.27Å; L91-L103 HydrophobicContact CD1-CD1 3.83Å; L91-L103 HydrophobicContact CD1-CD2 3.9Å; L91-L103 HydrophobicContact CD1-CG 3.83Å; L91-F112 HydrophobicContact CD1-CD2 4.09Å; L91-F112 HydrophobicContact CD1-CE2 4.47Å; L91-F112 HydrophobicContact CD2-CD2 4.18Å; L91-F112 HydrophobicContact CD2-CE2 3.89Å; L91-F112 HydrophobicContact CG-CD2 3.94Å; L91-F112 HydrophobicContact CG-CE2 3.82Å; L91-I115 HydrophobicContact CD1-CB 4.3Å; L91-I115 HydrophobicContact CD1-CG2 3.77Å; L91-I115 HydrophobicContact CD2-CG2 4.42Å; L91-Y116 HydrophobicContact CD2-CD2 3.87Å; L91-Y116 HydrophobicContact CD2-CG 4.46Å
92L87.2Confident81.9Confident80 Ų8046.3 Ų46.342%0.41928%0.276SS..Hα-helixtrans-62.3-42.7179-172.1148.9000111.1E88 Q89 G96 A100E88-L92 WeakPolarHBondContact O-CB 3.34Å; E88-L92 PolarHBondContact O-N 2.91Å; Q89-L92 PolarHBondContact O-N 3.24Å; L92-G96 WeakPolarHBondContact O-CA 3.22Å; L92-G96 PolarHBondContact O-N 3.13Å; L92-A100 HydrophobicContact CB-CB 4.26Å; L92-A100 HydrophobicContact CD1-CB 4.42Å
93S84.9Confident81.4Confident66 Ų6645 Ų4546%0.46227%0.265SS..Hα-helixtrans-75-28.6-177-167.70000113.7V73 Q89 L91V73-S93 VanDerWaalsContact CG2-CB 3.46Å; V73-S93 WeakPolarHBondContact CG2-OG 3.24Å; Q89-S93 WeakPolarHBondContact O-CB 3.24Å; Q89-S93 PolarHBondContact O-N 3.13Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 3.47Å
94F83Confident81Confident39 Ų3945.8 Ų45.817%0.17127%0.269CS..Hα-helixtrans-90.7-37.7177.8-75.4-52.8000114.1V73 V90 L91 Y116 R129 I131V73-F94 HydrophobicContact CB-CE2 4.38Å; V73-F94 HydrophobicContact CB-CZ 4.27Å; V73-F94 HydrophobicContact CG2-CD1 3.8Å; V73-F94 HydrophobicContact CG2-CD2 3.76Å; V73-F94 HydrophobicContact CG2-CE1 3.54Å; V73-F94 HydrophobicContact CG2-CE2 3.51Å; V73-F94 HydrophobicContact CG2-CG 3.91Å; V73-F94 HydrophobicContact CG2-CZ 3.39Å; V90-F94 HydrophobicContact CG1-CD2 3.83Å; V90-F94 HydrophobicContact CG1-CE2 3.9Å; V90-F94 WeakPolarHBondContact O-CD2 3.2Å; V90-F94 PolarHBondContact O-N 3.45Å; L91-F94 PolarHBondContact O-N 3.23Å; F94-Y116 HydrophobicContact CD2-CE2 4.11Å; F94-Y116 HydrophobicContact CE2-CE2 4.49Å; F94-R129 HydrophobicContact CD1-CG 4.39Å; F94-R129 HydrophobicContact CE1-CB 3.8Å; F94-R129 HydrophobicContact CE1-CG 3.98Å; F94-R129 HydrophobicContact CZ-CB 3.8Å; F94-R129 HydrophobicContact CZ-CG 4.42Å; F94-I131 HydrophobicContact CE2-CD1 4.04Å; F94-I131 HydrophobicContact CE2-CG1 3.67Å; F94-I131 HydrophobicContact CZ-CG1 3.92Å
95F82Confident80.3Confident28 Ų2857 Ų5712%0.12331%0.306CS..Hα-helixtrans-123.3-4.8-169.1-54.2-69.7000113.5L91 A99 Y116 R119L91-F95 HydrophobicContact CD2-CD2 3.87Å; L91-F95 HydrophobicContact CD2-CE2 3.99Å; L91-F95 PolarHBondContact O-N 2.82Å; F95-A99 HydrophobicContact CB-CB 3.5Å; F95-A99 HydrophobicContact CD2-CB 4.43Å; F95-A99 HydrophobicContact CG-CB 4.35Å; F95-Y116 HydrophobicContact CE2-CD1 4.23Å; F95-Y116 AromaticContact CE2-CD2 3.79Å; F95-Y116 HydrophobicContact CE2-CD2 3.79Å; F95-Y116 HydrophobicContact CE2-CE1 4.26Å; F95-Y116 AromaticContact CE2-CE2 3.79Å; F95-Y116 HydrophobicContact CE2-CE2 3.79Å; F95-Y116 HydrophobicContact CE2-CG 4.03Å; F95-Y116 HydrophobicContact CZ-CD1 4.1Å; F95-Y116 HydrophobicContact CZ-CD2 4.42Å; F95-Y116 AromaticContact CZ-CE1 3.93Å; F95-Y116 HydrophobicContact CZ-CE1 3.93Å; F95-Y116 HydrophobicContact CZ-CE2 4.24Å; F95-Y116 HydrophobicContact CZ-CG 4.36Å; F95-R119 HydrophobicContact CB-CB 4.46Å; F95-R119 HydrophobicContact CB-CG 4.41Å; F95-R119 HydrophobicContact CD1-CB 3.55Å; F95-R119 HydrophobicContact CD1-CG 4.38Å; F95-R119 HydrophobicContact CD2-CB 3.97Å; F95-R119 HydrophobicContact CD2-CG 4.36Å; F95-R119 HydrophobicContact CE1-CB 3.58Å; F95-R119 HydrophobicContact CE2-CB 4.01Å; F95-R119 HydrophobicContact CG-CB 3.74Å; F95-R119 HydrophobicContact CG-CG 4.15Å; F95-R119 HydrophobicContact CZ-CB 3.82Å
96G81.4Confident79.5Confident28 Ų2858.6 Ų58.629%0.28932%0.323SS..  trans83.6-175.6179.500000114.9L91 L92 D98 A99L91-G96 PolarHBondContact O-N 3.43Å; L92-G96 WeakPolarHBondContact O-CA 3.22Å; L92-G96 PolarHBondContact O-N 3.13Å; G96-D98 PolarHBondContact O-N 2.82Å; G96-A99 PolarHBondContact O-N 3.23Å
97C72.9Confident79.1Confident93 Ų9359 Ų5963%0.62833%0.326SS*.Hα-helixtrans-60.9-28.1-175.2-60.30000113.9A99 A100 S101C97-A99 VanDerWaalsContact C-N 3.26Å; C97-A99 PolarHBondContact O-N 2.92Å; C97-A100 PolarHBondContact O-N 3.17Å; C97-S101 PolarHBondContact O-N 2.75Å; C97-S101 PolarHBondContact O-OG 3.24Å
98D69.4Low79Confident116 Ų11660.9 Ų60.962%0.6234%0.34SS*.Hα-helixtrans-68.2-25.6-179.7-66.7-12.9000112.5G96 S101 L102 R119G96-D98 PolarHBondContact O-N 2.82Å; D98-S101 PolarHBondContact O-OG 2.87Å; D98-L102 WeakPolarHBondContact O-CG 3.48Å; D98-R119 VanDerWaalsContact C-NH2 3.28Å; D98-R119 PolarHBondContact O-NH2 3.3Å
99A68.4Low78.9Confident0 Ų059.6 Ų59.60%034%0.335CS..Hα-helixtrans-84.9-36174.600000112L91 F95 G96 C97 L102 R119L91-A99 HydrophobicContact CB-CB 4.27Å; F95-A99 HydrophobicContact CB-CB 3.5Å; F95-A99 HydrophobicContact CD2-CB 4.43Å; F95-A99 HydrophobicContact CG-CB 4.35Å; G96-A99 PolarHBondContact O-N 3.23Å; C97-A99 VanDerWaalsContact C-N 3.26Å; C97-A99 PolarHBondContact O-N 2.92Å; A99-L102 PolarHBondContact O-N 3.43Å; A99-R119 HydrophobicContact CB-CG 4.1Å
100A69Low78.8Confident11 Ų1161 Ų619%0.09135%0.351CS..Hα-helixtrans-64.5-39.9177.500000112.1E88 L92 C97 L102 L103E88-A100 HydrophobicContact CG-CB 4.05Å; L92-A100 HydrophobicContact CB-CB 4.26Å; L92-A100 HydrophobicContact CD1-CB 4.42Å; C97-A100 PolarHBondContact O-N 3.17Å; A100-L102 PolarHBondContact O-N 2.88Å; A100-L103 WeakPolarHBondContact O-CB 3.27Å; A100-L103 PolarHBondContact O-N 3.21Å; A100-L103 VanDerWaalsContact O-N 3.11Å
101S73.4Confident78.8Confident93 Ų9362.3 Ų62.365%0.6536%0.358SS*.THydrogen-bonded Turntrans-67.1-16.7178.859.30000114.8C97 D98 L103C97-S101 PolarHBondContact O-N 2.75Å; C97-S101 PolarHBondContact O-OG 3.24Å; D98-S101 PolarHBondContact O-OG 2.87Å; S101-L103 VanDerWaalsContact C-N 3.29Å
102L74.7Confident78.8Confident81 Ų8162.5 Ų62.542%0.42436%0.359SS..THydrogen-bonded Turntrans-79.8-11.9174.9-66173.5000112.9D98 A99 A100 I115D98-L102 WeakPolarHBondContact O-CG 3.48Å; A99-L102 PolarHBondContact O-N 3.43Å; A100-L102 PolarHBondContact O-N 2.88Å; L102-I115 HydrophobicContact CB-CD1 4.17Å; L102-I115 HydrophobicContact CB-CG1 4.48Å; L102-I115 HydrophobicContact CB-CG2 4.48Å
103L77.2Confident78.9Confident26 Ų2659.7 Ų59.714%0.13635%0.345CS..SBendtrans-71.6130.2176.1-73.2165.9000110.2E88 L91 A100 S101 P107 I115E88-L103 HydrophobicContact CB-CD1 3.87Å; E88-L103 HydrophobicContact CG-CD1 4.28Å; L91-L103 HydrophobicContact CD1-CD1 3.83Å; L91-L103 HydrophobicContact CD1-CD2 3.9Å; L91-L103 HydrophobicContact CD1-CG 3.83Å; A100-L103 WeakPolarHBondContact O-CB 3.27Å; A100-L103 PolarHBondContact O-N 3.21Å; A100-L103 VanDerWaalsContact O-N 3.11Å; S101-L103 VanDerWaalsContact C-N 3.29Å; L103-P107 HydrophobicContact CD2-CB 3.72Å; L103-I115 HydrophobicContact CD2-CD1 3.75Å; L103-I115 HydrophobicContact CG-CD1 4.16Å
104P75.4Confident79.1Confident57 Ų5763.7 Ų63.737%0.3735%0.35SS..  trans-67.7160.7170.929-32.6000110.3S106 P107 D111P104-S106 PolarHBondContact O-N 3.26Å; P104-P107 VanDerWaalsContact O-CD 3.28Å; P104-P107 WeakPolarHBondContact O-CD 3.39Å; P104-D111 HydrophobicContact CG-CB 4.48Å
105R71.3Confident79.3Confident261 Ų26162 Ų6299%0.98534%0.343SS*.SBendtrans-55.5-24.9-177.8-64.3-174.3-169.5177.43.3114.5
106S72.4Confident79.5Confident104 Ų10460.7 Ų60.773%0.72734%0.337SS*.SBendtrans-12883.2172.361.80000109.1P104 S108P104-S106 PolarHBondContact O-N 3.26Å; S106-S108 PolarHBondContact O-N 3.37Å
107P79.8Confident79.7Confident14 Ų1462.6 Ų62.69%0.09134%0.337CS..  trans-71.1127.7-175.330.4-34.9000110.9A84 F87 L103 P104A84-P107 VanDerWaalsContact CA-CG 3.49Å; A84-P107 VanDerWaalsContact CB-CD 3.44Å; A84-P107 HydrophobicContact CB-CG 3.35Å; F87-P107 HydrophobicContact CD2-CB 4.4Å; F87-P107 HydrophobicContact CD2-CG 4.32Å; L103-P107 HydrophobicContact CD2-CB 3.72Å; P104-P107 VanDerWaalsContact O-CD 3.28Å; P104-P107 WeakPolarHBondContact O-CD 3.39Å
108S84.8Confident80.3Confident43 Ų4362.8 Ų62.830%0.30133%0.329SS..  trans-81.3160.7166.871.70000110.3S106 S110 D111 F112S106-S108 PolarHBondContact O-N 3.37Å; S108-S110 PolarHBondContact O-N 3.24Å; S108-S110 PolarHBondContact OG-OG 3.48Å; S108-D111 WeakPolarHBondContact CB-OD2 3.43Å; S108-D111 PolarHBondContact N-OD2 3.45Å; S108-D111 PolarHBondContact O-N 2.9Å; S108-D111 VanDerWaalsContact O-N 3.13Å; S108-D111 PolarHBondContact OG-N 3.09Å; S108-D111 VanDerWaalsContact OG-N 3.13Å; S108-D111 PolarHBondContact OG-OD2 2.87Å; S108-F112 PolarHBondContact O-N 3.2Å; S108-F112 VanDerWaalsContact O-N 3.13Å
109L85.4Confident80.9Confident55 Ų5559.1 Ų59.129%0.28831%0.307SS..Hα-helixtrans-59.2-35.7173.4-171.5125.3000112F87 F112 V113 A149 L156F87-L109 HydrophobicContact CZ-CB 4.42Å; F87-L109 HydrophobicContact CZ-CD1 4.09Å; L109-F112 PolarHBondContact O-N 3.19Å; L109-V113 HydrophobicContact CD2-CG2 4.27Å; L109-V113 WeakPolarHBondContact O-CG2 3.49Å; L109-V113 PolarHBondContact O-N 3.13Å; L109-A149 HydrophobicContact CD1-CB 3.2Å; L109-A149 HydrophobicContact CD2-CB 3.83Å; L109-A149 HydrophobicContact CG-CB 4.13Å; L109-L156 HydrophobicContact CD2-CD1 4.3Å
110S87.2Confident81.5Confident83 Ų8360.1 Ų60.158%0.5831%0.312SS*.Hα-helixtrans-64.5-38.3175.234.60000112.9S108 V113 R114S108-S110 PolarHBondContact O-N 3.24Å; S108-S110 PolarHBondContact OG-OG 3.48Å; S110-V113 PolarHBondContact O-N 3.12Å; S110-R114 WeakPolarHBondContact O-CB 3.32Å; S110-R114 PolarHBondContact O-N 3.2Å
111D87.4Confident81.8Confident31 Ų3164.5 Ų64.517%0.16634%0.342CS..Hα-helixtrans-66-42.6176.2-66.2-54.3000110.7P104 S108 R114 I115P104-D111 HydrophobicContact CG-CB 4.48Å; S108-D111 WeakPolarHBondContact CB-OD2 3.43Å; S108-D111 PolarHBondContact N-OD2 3.45Å; S108-D111 PolarHBondContact O-N 2.9Å; S108-D111 VanDerWaalsContact O-N 3.13Å; S108-D111 PolarHBondContact OG-N 3.09Å; S108-D111 VanDerWaalsContact OG-N 3.13Å; S108-D111 PolarHBondContact OG-OD2 2.87Å; D111-R114 PolarHBondContact O-N 3.02Å; D111-R114 IonicContact OD1-CZ 3.73Å; D111-R114 IonicContact OD1-NH1 3.32Å; D111-R114 IonicContact OD1-NH2 3.28Å; D111-R114 PolarHBondContact OD1-NH2 3.02Å; D111-I115 WeakPolarHBondContact O-CB 3.48Å; D111-I115 WeakPolarHBondContact O-CD1 3.19Å; D111-I115 VanDerWaalsContact O-CG1 3.25Å; D111-I115 WeakPolarHBondContact O-CG1 3.5Å; D111-I115 PolarHBondContact O-N 2.66Å
112F88.1Confident81.8Confident3 Ų364.4 Ų64.41%0.01333%0.332CS..Hα-helixtrans-58.1-51.1174.8170.7-105.6000111.7F87 V90 L91 S108 L109 R114 I115 Y116 L153F87-F112 HydrophobicContact CB-CB 4.28Å; F87-F112 HydrophobicContact CB-CD2 3.56Å; F87-F112 HydrophobicContact CB-CE2 4.14Å; F87-F112 HydrophobicContact CB-CG 4.08Å; F87-F112 HydrophobicContact CD1-CB 4.12Å; F87-F112 AromaticContact CD1-CD1 3.87Å; F87-F112 HydrophobicContact CD1-CD1 3.87Å; F87-F112 AromaticContact CD1-CD2 3.77Å; F87-F112 HydrophobicContact CD1-CD2 3.77Å; F87-F112 HydrophobicContact CD1-CE1 4.19Å; F87-F112 HydrophobicContact CD1-CE2 4.09Å; F87-F112 AromaticContact CD1-CG 3.64Å; F87-F112 HydrophobicContact CD1-CG 3.64Å; F87-F112 HydrophobicContact CD1-CZ 4.29Å; F87-F112 HydrophobicContact CD2-CB 4.08Å; F87-F112 HydrophobicContact CD2-CG 4.45Å; F87-F112 HydrophobicContact CE1-CD1 4.09Å; F87-F112 HydrophobicContact CE1-CE1 4.49Å; F87-F112 HydrophobicContact CE1-CG 4.21Å; F87-F112 HydrophobicContact CE2-CB 4.49Å; F87-F112 HydrophobicContact CG-CB 3.9Å; F87-F112 HydrophobicContact CG-CD1 4.48Å; F87-F112 AromaticContact CG-CD2 3.8Å; F87-F112 HydrophobicContact CG-CD2 3.8Å; F87-F112 HydrophobicContact CG-CE2 4.44Å; F87-F112 AromaticContact CG-CG 3.8Å; F87-F112 HydrophobicContact CG-CG 3.8Å; V90-F112 HydrophobicContact CB-CE2 4.31Å; V90-F112 HydrophobicContact CB-CZ 4.49Å; V90-F112 HydrophobicContact CG1-CE2 4.14Å; V90-F112 HydrophobicContact CG1-CZ 4Å; L91-F112 HydrophobicContact CD1-CD2 4.09Å; L91-F112 HydrophobicContact CD1-CE2 4.47Å; L91-F112 HydrophobicContact CD2-CD2 4.18Å; L91-F112 HydrophobicContact CD2-CE2 3.89Å; L91-F112 HydrophobicContact CG-CD2 3.94Å; L91-F112 HydrophobicContact CG-CE2 3.82Å; S108-F112 PolarHBondContact O-N 3.2Å; S108-F112 VanDerWaalsContact O-N 3.13Å; L109-F112 PolarHBondContact O-N 3.19Å; F112-R114 VanDerWaalsContact C-N 3.34Å; F112-R114 PolarHBondContact O-N 3.33Å; F112-I115 PolarHBondContact O-N 2.8Å; F112-Y116 HydrophobicContact CE2-CD2 4.26Å; F112-Y116 AromaticContact CZ-CD2 3.97Å; F112-Y116 HydrophobicContact CZ-CD2 3.97Å; F112-Y116 WeakPolarHBondContact O-CB 3.5Å; F112-Y116 PolarHBondContact O-N 3.32Å; F112-L153 HydrophobicContact CE1-CD1 3.87Å
113V89.1Confident81.5Confident21 Ų2166.5 Ų66.513%0.12734%0.338CS..Hα-helixtrans-62-41.3179.1174.10000111.4L109 S110 Y116 K117 L156 V157L109-V113 HydrophobicContact CD2-CG2 4.27Å; L109-V113 WeakPolarHBondContact O-CG2 3.49Å; L109-V113 PolarHBondContact O-N 3.13Å; S110-V113 PolarHBondContact O-N 3.12Å; V113-Y116 PolarHBondContact O-N 2.75Å; V113-K117 HydrophobicContact CG1-CD 4.47Å; V113-K117 WeakPolarHBondContact O-CB 3.49Å; V113-K117 WeakPolarHBondContact O-CG 3.4Å; V113-K117 PolarHBondContact O-N 2.99Å; V113-L156 HydrophobicContact CG1-CB 4.4Å; V113-L156 VanDerWaalsContact CG1-O 3.3Å; V113-L156 WeakPolarHBondContact CG1-O 3.49Å; V113-L156 HydrophobicContact CG2-CB 4.25Å; V113-V157 HydrophobicContact CG1-CG2 4.45Å
114R88.9Confident81Confident150 Ų15070 Ų7057%0.56636%0.362SS*.Hα-helixtrans-61.3-49.1177.2-177-177.567.1-147.7-13.3111.6S110 D111 F112 Y116 K117 Q118S110-R114 WeakPolarHBondContact O-CB 3.32Å; S110-R114 PolarHBondContact O-N 3.2Å; D111-R114 PolarHBondContact O-N 3.02Å; D111-R114 IonicContact OD1-CZ 3.73Å; D111-R114 IonicContact OD1-NH1 3.32Å; D111-R114 IonicContact OD1-NH2 3.28Å; D111-R114 PolarHBondContact OD1-NH2 3.02Å; F112-R114 VanDerWaalsContact C-N 3.34Å; F112-R114 PolarHBondContact O-N 3.33Å; R114-Y116 VanDerWaalsContact C-N 3.33Å; R114-K117 PolarHBondContact O-N 3.26Å; R114-Q118 WeakPolarHBondContact O-CB 3.42Å; R114-Q118 PolarHBondContact O-N 3.03Å
115I85.9Confident80.6Confident5 Ų568.8 Ų68.83%0.02636%0.355CS..Hα-helixtrans-64.5-42.1-179.7-66163.9000109.9L91 L102 L103 D111 F112 K117 Q118 R119L91-I115 HydrophobicContact CD1-CB 4.3Å; L91-I115 HydrophobicContact CD1-CG2 3.77Å; L91-I115 HydrophobicContact CD2-CG2 4.42Å; L102-I115 HydrophobicContact CB-CD1 4.17Å; L102-I115 HydrophobicContact CB-CG1 4.48Å; L102-I115 HydrophobicContact CB-CG2 4.48Å; L103-I115 HydrophobicContact CD2-CD1 3.75Å; L103-I115 HydrophobicContact CG-CD1 4.16Å; D111-I115 WeakPolarHBondContact O-CB 3.48Å; D111-I115 WeakPolarHBondContact O-CD1 3.19Å; D111-I115 VanDerWaalsContact O-CG1 3.25Å; D111-I115 WeakPolarHBondContact O-CG1 3.5Å; D111-I115 PolarHBondContact O-N 2.66Å; F112-I115 PolarHBondContact O-N 2.8Å; I115-K117 PolarHBondContact O-N 3.5Å; I115-Q118 PolarHBondContact O-N 3.02Å; I115-R119 HydrophobicContact CG2-CG 4.41Å; I115-R119 WeakPolarHBondContact O-CG 3.35Å; I115-R119 PolarHBondContact O-N 3.49Å
116Y86.9Confident80.6Confident0 Ų065.4 Ų65.40%035%0.347CS..Hα-helixtrans-61.1-46.2177.2-160.3-66.4000111.5V90 L91 F94 F95 F112 V113 R114 Q118 R119 T120 R129 V157 V161V90-Y116 HydrophobicContact CG1-CE2 4.44Å; L91-Y116 HydrophobicContact CD2-CD2 3.87Å; L91-Y116 HydrophobicContact CD2-CG 4.46Å; F94-Y116 HydrophobicContact CD2-CE2 4.11Å; F94-Y116 HydrophobicContact CE2-CE2 4.49Å; F95-Y116 HydrophobicContact CE2-CD1 4.23Å; F95-Y116 AromaticContact CE2-CD2 3.79Å; F95-Y116 HydrophobicContact CE2-CD2 3.79Å; F95-Y116 HydrophobicContact CE2-CE1 4.26Å; F95-Y116 AromaticContact CE2-CE2 3.79Å; F95-Y116 HydrophobicContact CE2-CE2 3.79Å; F95-Y116 HydrophobicContact CE2-CG 4.03Å; F95-Y116 HydrophobicContact CZ-CD1 4.1Å; F95-Y116 HydrophobicContact CZ-CD2 4.42Å; F95-Y116 AromaticContact CZ-CE1 3.93Å; F95-Y116 HydrophobicContact CZ-CE1 3.93Å; F95-Y116 HydrophobicContact CZ-CE2 4.24Å; F95-Y116 HydrophobicContact CZ-CG 4.36Å; F112-Y116 HydrophobicContact CE2-CD2 4.26Å; F112-Y116 AromaticContact CZ-CD2 3.97Å; F112-Y116 HydrophobicContact CZ-CD2 3.97Å; F112-Y116 WeakPolarHBondContact O-CB 3.5Å; F112-Y116 PolarHBondContact O-N 3.32Å; V113-Y116 PolarHBondContact O-N 2.75Å; R114-Y116 VanDerWaalsContact C-N 3.33Å; Y116-Q118 PolarHBondContact O-N 2.81Å; Y116-R119 PolarHBondContact O-N 2.99Å; Y116-T120 VanDerWaalsContact CD1-OG1 3.26Å; Y116-T120 WeakPolarHBondContact CD1-OG1 3.28Å; Y116-T120 WeakPolarHBondContact CE1-OG1 3.27Å; Y116-T120 WeakPolarHBondContact O-CB 3.41Å; Y116-T120 PolarHBondContact O-N 2.81Å; Y116-T120 PolarHBondContact O-OG1 3.14Å; Y116-R129 WeakPolarHBondContact OH-CD 3.48Å; Y116-V157 HydrophobicContact CD1-CB 4.29Å; Y116-V157 HydrophobicContact CD1-CG1 3.11Å; Y116-V157 HydrophobicContact CD1-CG2 4.16Å; Y116-V157 HydrophobicContact CE1-CG1 3.41Å; Y116-V157 VanDerWaalsContact CE1-CG1 3.41Å; Y116-V157 HydrophobicContact CG-CG1 4Å; Y116-V157 HydrophobicContact CG-CG2 4.28Å; Y116-V161 HydrophobicContact CE1-CG2 4.23Å; Y116-V161 WeakPolarHBondContact OH-CG2 2.99Å
117K86.4Confident81Confident67 Ų6764.2 Ų64.229%0.29133%0.33SS..Hα-helixtrans-60.7-42.6176.2-81.6-169.6171.4177.20112.7V113 R114 I115 T120 S121 L156 V157 E158V113-K117 HydrophobicContact CG1-CD 4.47Å; V113-K117 WeakPolarHBondContact O-CB 3.49Å; V113-K117 WeakPolarHBondContact O-CG 3.4Å; V113-K117 PolarHBondContact O-N 2.99Å; R114-K117 PolarHBondContact O-N 3.26Å; I115-K117 PolarHBondContact O-N 3.5Å; K117-T120 PolarHBondContact O-N 3.36Å; K117-S121 PolarHBondContact O-N 2.99Å; K117-S121 VanDerWaalsContact O-N 3.07Å; K117-S121 PolarHBondContact O-OG 3.37Å; K117-L156 WeakPolarHBondContact CE-O 3.44Å; K117-L156 PolarHBondContact NZ-O 2.7Å; K117-V157 WeakPolarHBondContact CE-O 3.48Å; K117-V157 WeakPolarHBondContact CG-O 3.33Å; K117-E158 IonicContact NZ-OE1 3.24Å; K117-E158 PolarHBondContact NZ-OE1 3.12Å
118Q85.9Confident81.3Confident98 Ų9863.6 Ų63.646%0.45833%0.326SS..Hα-helixtrans-60.8-48.5177.4-175.9178-7.100110.9R114 I115 Y116 T120 S121 E122R114-Q118 WeakPolarHBondContact O-CB 3.42Å; R114-Q118 PolarHBondContact O-N 3.03Å; I115-Q118 PolarHBondContact O-N 3.02Å; Y116-Q118 PolarHBondContact O-N 2.81Å; Q118-T120 VanDerWaalsContact C-N 3.35Å; Q118-T120 PolarHBondContact O-N 3.2Å; Q118-S121 WeakPolarHBondContact O-CB 3.34Å; Q118-S121 PolarHBondContact O-N 3.18Å; Q118-E122 PolarHBondContact O-N 2.99Å
119R81.3Confident81.5Confident39 Ų3962.6 Ų62.615%0.14732%0.316CS..Hα-helixtrans-69.9-30.7179.5-65.6-57.5-169176.45.7113.4F95 D98 A99 I115 Y116 S121 E122 F123F95-R119 HydrophobicContact CB-CB 4.46Å; F95-R119 HydrophobicContact CB-CG 4.41Å; F95-R119 HydrophobicContact CD1-CB 3.55Å; F95-R119 HydrophobicContact CD1-CG 4.38Å; F95-R119 HydrophobicContact CD2-CB 3.97Å; F95-R119 HydrophobicContact CD2-CG 4.36Å; F95-R119 HydrophobicContact CE1-CB 3.58Å; F95-R119 HydrophobicContact CE2-CB 4.01Å; F95-R119 HydrophobicContact CG-CB 3.74Å; F95-R119 HydrophobicContact CG-CG 4.15Å; F95-R119 HydrophobicContact CZ-CB 3.82Å; D98-R119 VanDerWaalsContact C-NH2 3.28Å; D98-R119 PolarHBondContact O-NH2 3.3Å; A99-R119 HydrophobicContact CB-CG 4.1Å; I115-R119 HydrophobicContact CG2-CG 4.41Å; I115-R119 WeakPolarHBondContact O-CG 3.35Å; I115-R119 PolarHBondContact O-N 3.49Å; Y116-R119 PolarHBondContact O-N 2.99Å; R119-S121 VanDerWaalsContact C-N 3.32Å; R119-E122 VanDerWaalsContact CD-OE2 3.29Å; R119-E122 WeakPolarHBondContact CD-OE2 3.14Å; R119-E122 IonicContact CZ-OE2 2.83Å; R119-E122 IonicContact NE-OE2 2.7Å; R119-E122 IonicContact NH1-OE2 3.52Å; R119-E122 PolarHBondContact NH1-OE2 2.68Å; R119-E122 PolarHBondContact O-N 2.79Å; R119-F123 PolarHBondContact O-N 2.84Å
120T80.3Confident81.8Confident20 Ų2060 Ų6012%0.12330%0.302CS..Hα-helixtrans-67.3-35.1174.3-580000111.7Y116 K117 Q118 E122 F123 P124 D159Y116-T120 VanDerWaalsContact CD1-OG1 3.26Å; Y116-T120 WeakPolarHBondContact CD1-OG1 3.28Å; Y116-T120 WeakPolarHBondContact CE1-OG1 3.27Å; Y116-T120 WeakPolarHBondContact O-CB 3.41Å; Y116-T120 PolarHBondContact O-N 2.81Å; Y116-T120 PolarHBondContact O-OG1 3.14Å; K117-T120 PolarHBondContact O-N 3.36Å; Q118-T120 VanDerWaalsContact C-N 3.35Å; Q118-T120 PolarHBondContact O-N 3.2Å; T120-E122 VanDerWaalsContact C-N 3.28Å; T120-E122 PolarHBondContact O-N 3.05Å; T120-F123 CarbonylContact O-C 3.59Å; T120-F123 PolarHBondContact O-N 2.63Å; T120-P124 WeakPolarHBondContact O-CA 3.25Å; T120-P124 VanDerWaalsContact O-N 3.11Å; T120-D159 HydrophobicContact CG2-CB 4Å
121S75.6Confident82.1Confident103 Ų10356.1 Ų56.172%0.7228%0.275SS*.Hα-helixtrans-64.8-33.6173-55.30000112.3K117 Q118 R119K117-S121 PolarHBondContact O-N 2.99Å; K117-S121 VanDerWaalsContact O-N 3.07Å; K117-S121 PolarHBondContact O-OG 3.37Å; Q118-S121 WeakPolarHBondContact O-CB 3.34Å; Q118-S121 PolarHBondContact O-N 3.18Å; R119-S121 VanDerWaalsContact C-N 3.32Å
122E72.6Confident82.5Confident91 Ų9154.6 Ų54.643%0.42527%0.267SS..Hα-helixtrans-78.2-36.1177.4-67.3170.4-174.400112.2Q118 R119 T120Q118-E122 PolarHBondContact O-N 2.99Å; R119-E122 VanDerWaalsContact CD-OE2 3.29Å; R119-E122 WeakPolarHBondContact CD-OE2 3.14Å; R119-E122 IonicContact CZ-OE2 2.83Å; R119-E122 IonicContact NE-OE2 2.7Å; R119-E122 IonicContact NH1-OE2 3.52Å; R119-E122 PolarHBondContact NH1-OE2 2.68Å; R119-E122 PolarHBondContact O-N 2.79Å; T120-E122 VanDerWaalsContact C-N 3.28Å; T120-E122 PolarHBondContact O-N 3.05Å
123F69.3Low82.7Confident126 Ų12654.5 Ų54.555%0.55327%0.266SS*.SBendtrans-128.477.6179.8-61.7-81.7000111R119 T120 S125 R129R119-F123 PolarHBondContact O-N 2.84Å; T120-F123 CarbonylContact O-C 3.59Å; T120-F123 PolarHBondContact O-N 2.63Å; F123-S125 PolarHBondContact O-N 2.87Å; F123-R129 PolarHBondContact O-NH2 3.36Å
124P67.8Low82.9Confident98 Ų9855.6 Ų55.664%0.63627%0.27SS*.  trans-62.7130.9179.321-30000110.9T120T120-P124 WeakPolarHBondContact O-CA 3.25Å; T120-P124 VanDerWaalsContact O-N 3.11Å
125S65.4Low83Confident32 Ų3252.2 Ų52.222%0.22426%0.261CS..  trans-73.1128.9177.872.10000109.3F123 Q127 D159F123-S125 PolarHBondContact O-N 2.87Å; S125-Q127 VanDerWaalsContact C-N 3.34Å; S125-Q127 WeakPolarHBondContact CB-O 3.42Å; S125-D159 PolarHBondContact OG-OD1 3.43Å
126K70.9Confident83.3Confident190 Ų19052 Ų5283%0.82626%0.259SS*.SBendtrans-89.5-9.6166.2-67.9-176-179.91790111.9
127Q81.9Confident83.5Confident80 Ų8054.1 Ų54.137%0.37427%0.269SS..SBendtrans-138.5152.1-173.9-64.4-179.4-6.900110.5P39 P71 S125 R129P39-Q127 HydrophobicContact CB-CB 4.31Å; P39-Q127 HydrophobicContact CB-CG 3.94Å; P39-Q127 CarbonylContact O-C 3.49Å; P39-Q127 WeakPolarHBondContact O-CA 3.35Å; P71-Q127 HydrophobicContact CG-CB 4.32Å; S125-Q127 VanDerWaalsContact C-N 3.34Å; S125-Q127 WeakPolarHBondContact CB-O 3.42Å; Q127-R129 PolarHBondContact O-N 2.75Å
128T85.2Confident83.6Confident0 Ų054.1 Ų54.10%027%0.272CS..  trans-57.7128.3175-47.70000111.8P39 Q41 C43 P71 Y130 N160P39-T128 PolarHBondContact O-N 3.37Å; P39-T128 PolarHBondContact O-OG1 3.28Å; Q41-T128 PolarHBondContact O-OG1 2.9Å; C43-T128 HydrophobicContact CB-CG2 3.83Å; P71-T128 WeakPolarHBondContact CG-O 3.33Å; T128-Y130 HydrophobicContact CG2-CE1 3.96Å; T128-Y130 HydrophobicContact CG2-CE2 4.05Å; T128-Y130 WeakPolarHBondContact O-CE2 3.39Å; T128-N160 CarbonylContact C-O 3.55Å; T128-N160 WeakPolarHBondContact CA-O 3.32Å; T128-N160 PolarHBondContact OG1-ND2 2.84Å
129R89.6Confident83.6Confident22 Ų2249.8 Ų49.88%0.08325%0.252CS..EExtended strand (participates in β ladder)trans-91.1129.3173.7-69.1178.1178.6135.8-2110.5P71 F94 Y116 F123 Q127 D159 N160 V161 S162P71-R129 HydrophobicContact CG-CG 4.44Å; P71-R129 WeakPolarHBondContact O-CA 3.33Å; F94-R129 HydrophobicContact CD1-CG 4.39Å; F94-R129 HydrophobicContact CE1-CB 3.8Å; F94-R129 HydrophobicContact CE1-CG 3.98Å; F94-R129 HydrophobicContact CZ-CB 3.8Å; F94-R129 HydrophobicContact CZ-CG 4.42Å; Y116-R129 WeakPolarHBondContact OH-CD 3.48Å; F123-R129 PolarHBondContact O-NH2 3.36Å; Q127-R129 PolarHBondContact O-N 2.75Å; R129-D159 IonicContact CZ-OD2 2.7Å; R129-D159 IonicContact NH1-OD2 3.2Å; R129-D159 PolarHBondContact NH1-OD2 3.39Å; R129-N160 PolarHBondContact N-O 3.32Å; R129-V161 HydrophobicContact CB-CG2 4.37Å; R129-V161 WeakPolarHBondContact O-CA 3.28Å; R129-S162 PolarHBondContact O-N 2.66Å
130Y91.8Very high83.8Confident1 Ų151.9 Ų51.90%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-106.3131.2-178.5-64.1-81.8000112.1M36 M65 L70 P71 H72 V73 T128 S162 I164M36-Y130 HydrophobicContact CE-CD1 4.24Å; M36-Y130 HydrophobicContact CE-CD2 4.25Å; M36-Y130 HydrophobicContact CE-CE1 3.67Å; M36-Y130 HydrophobicContact CE-CE2 3.68Å; M36-Y130 HydrophobicContact CG-CE1 4.12Å; M65-Y130 HydrophobicContact CE-CD1 3.81Å; M65-Y130 HydrophobicContact CE-CD2 4.17Å; M65-Y130 HydrophobicContact CE-CE1 4.45Å; M65-Y130 HydrophobicContact CE-CG 3.64Å; M65-Y130 HydrophobicContact SD-CD2 3.89Å; M65-Y130 HydrophobicContact SD-CG 3.91Å; L70-Y130 HydrophobicContact CB-CD2 4.14Å; L70-Y130 HydrophobicContact CB-CE2 4.21Å; L70-Y130 HydrophobicContact CD1-CD2 4.38Å; L70-Y130 HydrophobicContact CD1-CE2 3.87Å; L70-Y130 HydrophobicContact CD2-CE2 4.47Å; L70-Y130 HydrophobicContact CG-CE2 4.42Å; P71-Y130 PolarHBondContact O-N 2.79Å; H72-Y130 CarbonylContact C-O 3.43Å; H72-Y130 WeakPolarHBondContact CA-O 3.39Å; V73-Y130 PolarHBondContact N-O 2.94Å; T128-Y130 HydrophobicContact CG2-CE1 3.96Å; T128-Y130 HydrophobicContact CG2-CE2 4.05Å; T128-Y130 WeakPolarHBondContact O-CE2 3.39Å; Y130-S162 WeakPolarHBondContact CA-O 3.25Å; Y130-I164 HydrophobicContact CD1-CD1 4.09Å
131I94Very high84Confident1 Ų157.2 Ų57.21%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-113.1108.5172.4-59.8173.6000107.7V90 F94 M133 L153 V161 S162 V163 I164V90-I131 HydrophobicContact CG1-CD1 3.93Å; V90-I131 HydrophobicContact CG2-CG2 4.36Å; F94-I131 HydrophobicContact CE2-CD1 4.04Å; F94-I131 HydrophobicContact CE2-CG1 3.67Å; F94-I131 HydrophobicContact CZ-CG1 3.92Å; I131-M133 HydrophobicContact CG2-CG 4.25Å; I131-M133 HydrophobicContact CG2-SD 3.78Å; I131-L153 HydrophobicContact CD1-CD2 3.62Å; I131-V161 HydrophobicContact CD1-CG1 3.76Å; I131-V161 HydrophobicContact CG1-CG1 4.18Å; I131-S162 PolarHBondContact N-O 2.89Å; I131-V163 HydrophobicContact CB-CG2 4.36Å; I131-V163 HydrophobicContact CD1-CG2 4.49Å; I131-V163 CarbonylContact O-C 3.53Å; I131-V163 WeakPolarHBondContact O-CA 3.34Å; I131-I164 PolarHBondContact O-N 3.01Å
132V94.9Very high84.3Confident0 Ų054.5 Ų54.50%027%0.272CS..EExtended strand (participates in β ladder)trans-98113.5179.6-175.80000108.8V61 M65 V73 T74 V75 I164 L166V61-V132 HydrophobicContact CG1-CB 4.46Å; V61-V132 HydrophobicContact CG1-CG1 3.87Å; V61-V132 HydrophobicContact CG1-CG2 3.71Å; M65-V132 HydrophobicContact CE-CG2 4.38Å; V73-V132 PolarHBondContact O-N 3.05Å; T74-V132 WeakPolarHBondContact CA-O 3.23Å; T74-V132 HydrophobicContact CG2-CB 4.22Å; V75-V132 PolarHBondContact N-O 3.11Å; V132-I164 CarbonylContact C-O 3.59Å; V132-I164 WeakPolarHBondContact CA-O 3.41Å; V132-I164 HydrophobicContact CG2-CB 4.38Å; V132-I164 HydrophobicContact CG2-CD1 4.4Å; V132-L166 HydrophobicContact CG1-CD1 3.92Å; V132-L166 HydrophobicContact CG1-CG 4.26Å
133M93.3Very high84.7Confident0 Ų053 Ų530%027%0.272CS..EExtended strand (participates in β ladder)trans-100.4109.9178.2-57.7-63-6300109.4V75 L86 I131 L139 V163 I164 L165 L166V75-M133 HydrophobicContact CB-CE 4.3Å; V75-M133 HydrophobicContact CB-SD 3.89Å; V75-M133 HydrophobicContact CG1-CE 4.05Å; V75-M133 HydrophobicContact CG1-SD 4.28Å; V75-M133 HydrophobicContact CG2-SD 4.46Å; V75-M133 WeakPolarHBondContact O-CA 3.3Å; L86-M133 HydrophobicContact CD1-CE 3.38Å; L86-M133 HydrophobicContact CG-CE 3.98Å; I131-M133 HydrophobicContact CG2-CG 4.25Å; I131-M133 HydrophobicContact CG2-SD 3.78Å; M133-L139 HydrophobicContact CE-CD1 4.31Å; M133-L139 HydrophobicContact CE-CD2 4.22Å; M133-V163 HydrophobicContact CG-CG1 4.24Å; M133-I164 PolarHBondContact N-O 3.13Å; M133-L165 HydrophobicContact CB-CD2 3.78Å; M133-L165 HydrophobicContact CG-CD2 3.82Å; M133-L166 PolarHBondContact O-N 3.11Å
134E92.8Very high85.4Confident45 Ų4552 Ų5221%0.2128%0.276CS..EExtended strand (participates in β ladder)trans-82.4142.9173.8-54.2-157.5130.200111.1S58 V75 C77 A136 L166S58-E134 WeakPolarHBondContact CB-OE1 3.45Å; S58-E134 PolarHBondContact OG-OE1 3.11Å; V75-E134 PolarHBondContact O-N 3.42Å; C77-E134 WeakPolarHBondContact CB-O 3.31Å; C77-E134 PolarHBondContact N-O 3.22Å; C77-E134 PolarHBondContact SG-O 2.9Å; E134-A136 VanDerWaalsContact C-N 3.35Å; E134-A136 PolarHBondContact O-N 3.06Å; E134-L166 HydrophobicContact CG-CD1 4.29Å
135Q91.7Very high86.3Confident79 Ų7953.3 Ų53.337%0.36928%0.277SS..THydrogen-bonded Turntrans55.348.2179.5-59.7171.2-70.700112.5C77 V78 E137 L138 L166C77-Q135 WeakPolarHBondContact CB-O 3.45Å; V78-Q135 HydrophobicContact CG2-CB 4.31Å; V78-Q135 VanDerWaalsContact CG2-CD 3.49Å; Q135-E137 PolarHBondContact O-N 3.12Å; Q135-L138 PolarHBondContact O-N 3.43Å; Q135-L166 PolarHBondContact N-O 2.82Å; Q135-L166 VanDerWaalsContact N-O 3.16Å
136A91.1Very high87.4Confident0 Ų052 Ų520%027%0.267CS..G310 helixtrans-58.1-13.2-177.800000114.1E134 L138 L139 L165 L166 F174E134-A136 VanDerWaalsContact C-N 3.35Å; E134-A136 PolarHBondContact O-N 3.06Å; A136-L138 PolarHBondContact O-N 3.37Å; A136-L138 VanDerWaalsContact O-N 3.16Å; A136-L139 HydrophobicContact CB-CD1 4.05Å; A136-L139 VanDerWaalsContact O-CB 3.26Å; A136-L139 WeakPolarHBondContact O-CB 3.37Å; A136-L139 PolarHBondContact O-N 3.37Å; A136-L165 HydrophobicContact CB-CB 4.02Å; A136-L165 HydrophobicContact CB-CD2 4.21Å; A136-L166 PolarHBondContact N-O 3.48Å; A136-F174 WeakPolarHBondContact O-CE1 3.49Å
137E91Very high88.4Confident44 Ų4443.3 Ų43.321%0.20623%0.23CC..G310 helixtrans-54.6-29.5176.256.4-165.1-156.800114.8Q135 L139 R140 I169 F174Q135-E137 PolarHBondContact O-N 3.12Å; E137-L139 VanDerWaalsContact C-N 3.33Å; E137-R140 PolarHBondContact O-NE 3.37Å; E137-R140 PolarHBondContact O-NH2 2.92Å; E137-I169 HydrophobicContact CB-CD1 3.86Å; E137-F174 HydrophobicContact CB-CZ 4.3Å
138L89.3Confident88.8Confident67 Ų6740.8 Ų40.835%0.35122%0.22SC..G310 helixtrans-75.9-19.4177.1-64.7174.9000113.2C77 V78 Q135 A136 R140 D141 A142C77-L138 HydrophobicContact CB-CB 4.15Å; C77-L138 HydrophobicContact CB-CD1 4.42Å; V78-L138 HydrophobicContact CB-CD1 4.2Å; V78-L138 HydrophobicContact CG2-CD1 3.51Å; Q135-L138 PolarHBondContact O-N 3.43Å; A136-L138 PolarHBondContact O-N 3.37Å; A136-L138 VanDerWaalsContact O-N 3.16Å; L138-R140 PolarHBondContact O-N 2.89Å; L138-R140 VanDerWaalsContact O-N 3.15Å; L138-D141 PolarHBondContact O-N 3.48Å; L138-D141 VanDerWaalsContact O-N 3.13Å; L138-A142 PolarHBondContact O-N 3.37Å
139L86.8Confident89.1Confident8 Ų841.3 Ų41.34%0.04223%0.225CC..G310 helixtrans-65.4-17.3176.7-62.5173.5000112.6L86 M133 A136 E137 L146 L150 L165L86-L139 HydrophobicContact CD1-CD2 4.04Å; M133-L139 HydrophobicContact CE-CD1 4.31Å; M133-L139 HydrophobicContact CE-CD2 4.22Å; A136-L139 HydrophobicContact CB-CD1 4.05Å; A136-L139 VanDerWaalsContact O-CB 3.26Å; A136-L139 WeakPolarHBondContact O-CB 3.37Å; A136-L139 PolarHBondContact O-N 3.37Å; E137-L139 VanDerWaalsContact C-N 3.33Å; L139-L146 HydrophobicContact CD2-CD2 3.86Å; L139-L150 HydrophobicContact CD1-CD1 4.19Å; L139-L165 HydrophobicContact CD1-CD2 4.05Å
140R84.9Confident89.2Confident82 Ų8240.5 Ų40.531%0.30922%0.222SC..G310 helixtrans-75.4-33.2175.6-63.8175.6-66.41629.3112.7E137 L138 A142 K173 F174E137-R140 PolarHBondContact O-NE 3.37Å; E137-R140 PolarHBondContact O-NH2 2.92Å; L138-R140 PolarHBondContact O-N 2.89Å; L138-R140 VanDerWaalsContact O-N 3.15Å; R140-A142 VanDerWaalsContact C-N 3.33Å; R140-K173 WeakPolarHBondContact CD-O 3.28Å; R140-K173 PolarHBondContact NH1-O 3.05Å; R140-F174 HydrophobicContact CG-CD1 3.5Å; R140-F174 VanDerWaalsContact CG-CD1 3.5Å; R140-F174 HydrophobicContact CG-CE1 3.75Å; R140-F174 HydrophobicContact CG-CG 4.14Å
141D84.3Confident89.2Confident133 Ų13340.4 Ų40.471%0.71122%0.222SC*.THydrogen-bonded Turntrans-86.1-13.5179.1-59.1-32.2000111.6L138L138-D141 PolarHBondContact O-N 3.48Å; L138-D141 VanDerWaalsContact O-N 3.13Å
142A82.8Confident89Confident46 Ų4645.8 Ų45.838%0.3824%0.242SC..SBendtrans-73.2-160.6173.400000111.8L138 R140 V144 L146L138-A142 PolarHBondContact O-N 3.37Å; R140-A142 VanDerWaalsContact C-N 3.33Å; A142-V144 PolarHBondContact O-N 3.47Å; A142-L146 HydrophobicContact CB-CD2 4.13Å
143S79.9Confident88.9Confident60 Ų6046 Ų4642%0.4224%0.243SC..  trans-68.1134.9-179.960.90000111.8N145 L146S143-N145 PolarHBondContact O-N 2.95Å; S143-L146 WeakPolarHBondContact O-CB 3.18Å; S143-L146 PolarHBondContact O-N 2.86Å; S143-L146 WeakPolarHBondContact OG-CB 3.49Å
144V83.3Confident88.8Confident105 Ų10547.3 Ų47.364%0.63625%0.249SC*.THydrogen-bonded Turntrans-54-29.2-175.8-175.70000113A142 P148A142-V144 PolarHBondContact O-N 3.47Å; V144-P148 VanDerWaalsContact O-CD 3.26Å; V144-P148 WeakPolarHBondContact O-CD 3.16Å
145N87.7Confident88.7Confident124 Ų12450.5 Ų50.566%0.66326%0.264SS*.THydrogen-bonded Turntrans-88.7-14.3-176.8-60.8-20.6000113.6S143 A149S143-N145 PolarHBondContact O-N 2.95Å; N145-A149 WeakPolarHBondContact O-CB 3.41Å; N145-A149 PolarHBondContact O-N 3.28Å
146L88.9Confident88.6Confident4 Ų449.5 Ų49.52%0.02126%0.261CS..Hα-helixtrans-68-51-174179.563.1000111.6L86 F87 L139 A142 S143 A149 L150L86-L146 HydrophobicContact CD1-CD2 4.22Å; F87-L146 HydrophobicContact CE1-CD1 3.76Å; F87-L146 HydrophobicContact CZ-CD1 3.75Å; L139-L146 HydrophobicContact CD2-CD2 3.86Å; A142-L146 HydrophobicContact CB-CD2 4.13Å; S143-L146 WeakPolarHBondContact O-CB 3.18Å; S143-L146 PolarHBondContact O-N 2.86Å; S143-L146 WeakPolarHBondContact OG-CB 3.49Å; L146-A149 PolarHBondContact O-N 3.37Å; L146-L150 HydrophobicContact CD1-CD1 4.04Å; L146-L150 HydrophobicContact CD1-CG 4.14Å; L146-L150 HydrophobicContact CG-CD1 3.96Å; L146-L150 HydrophobicContact CG-CG 4.43Å; L146-L150 WeakPolarHBondContact O-CG 3.44Å; L146-L150 PolarHBondContact O-N 3.16Å
147L91Very high88.3Confident9 Ų949.7 Ų49.75%0.04726%0.262CS..Hα-helixtrans-61.4-51.4-178.5175.268.2000112.1A149 L150 L151 L165 F174L147-A149 PolarHBondContact O-N 3.35Å; L147-L150 PolarHBondContact O-N 2.89Å; L147-L151 HydrophobicContact CD1-CD1 4.23Å; L147-L151 HydrophobicContact CD1-CG 4.31Å; L147-L151 HydrophobicContact CG-CD1 4.1Å; L147-L151 VanDerWaalsContact O-CG 3.28Å; L147-L151 WeakPolarHBondContact O-CG 3.44Å; L147-L151 PolarHBondContact O-N 3.03Å; L147-L165 HydrophobicContact CD1-CD1 4.04Å; L147-F174 HydrophobicContact CD2-CB 4.22Å; L147-F174 HydrophobicContact CD2-CD1 4.06Å
148P91.3Very high88.1Confident26 Ų2654.8 Ų54.817%0.16929%0.286CS..Hα-helixtrans-57.1-36.7175.8-26.235.1000113.8V144 R152 P176 C180V144-P148 VanDerWaalsContact O-CD 3.26Å; V144-P148 WeakPolarHBondContact O-CD 3.16Å; P148-R152 PolarHBondContact O-N 2.82Å; P148-P176 HydrophobicContact CG-CG 4.25Å; P148-C180 HydrophobicContact CB-CB 4.47Å; P148-C180 HydrophobicContact CG-CB 4.48Å
149A90.6Very high87.8Confident12 Ų1252.1 Ų52.110%0.09927%0.272CS..Hα-helixtrans-72.8-37.4179.400000112.7L109 N145 L146 L147 R152 L153 L156L109-A149 HydrophobicContact CD1-CB 3.2Å; L109-A149 HydrophobicContact CD2-CB 3.83Å; L109-A149 HydrophobicContact CG-CB 4.13Å; N145-A149 WeakPolarHBondContact O-CB 3.41Å; N145-A149 PolarHBondContact O-N 3.28Å; L146-A149 PolarHBondContact O-N 3.37Å; L147-A149 PolarHBondContact O-N 3.35Å; A149-R152 CarbonylContact O-C 3.57Å; A149-R152 PolarHBondContact O-N 2.98Å; A149-L153 WeakPolarHBondContact O-CA 3.13Å; A149-L153 PolarHBondContact O-N 3.47Å; A149-L156 HydrophobicContact CB-CD1 4.04Å
150L91.1Very high87.8Confident4 Ų452.1 Ų52.12%0.02127%0.272CS..Hα-helixtrans-64.3-39.7173.8-72.2174000111.6L139 L146 L147 R152 L153 V163L139-L150 HydrophobicContact CD1-CD1 4.19Å; L146-L150 HydrophobicContact CD1-CD1 4.04Å; L146-L150 HydrophobicContact CD1-CG 4.14Å; L146-L150 HydrophobicContact CG-CD1 3.96Å; L146-L150 HydrophobicContact CG-CG 4.43Å; L146-L150 WeakPolarHBondContact O-CG 3.44Å; L146-L150 PolarHBondContact O-N 3.16Å; L147-L150 PolarHBondContact O-N 2.89Å; L150-R152 VanDerWaalsContact C-N 3.26Å; L150-R152 PolarHBondContact O-N 3Å; L150-L153 HydrophobicContact CD2-CD2 4.5Å; L150-L153 VanDerWaalsContact O-CB 3.26Å; L150-L153 WeakPolarHBondContact O-CB 3.4Å; L150-L153 PolarHBondContact O-N 3.19Å; L150-V163 WeakPolarHBondContact O-CG2 3.36Å
151L91.9Very high88.1Confident0 Ų048.2 Ų48.20%026%0.258CS..Hα-helixtrans-64.7-30.6178.5-64.6163.8000112.9S46 L147 L165 W171 C180 F181 P183S46-L151 WeakPolarHBondContact OG-CD2 3.28Å; S46-L151 PolarHBondContact OG-O 3.42Å; L147-L151 HydrophobicContact CD1-CD1 4.23Å; L147-L151 HydrophobicContact CD1-CG 4.31Å; L147-L151 HydrophobicContact CG-CD1 4.1Å; L147-L151 VanDerWaalsContact O-CG 3.28Å; L147-L151 WeakPolarHBondContact O-CG 3.44Å; L147-L151 PolarHBondContact O-N 3.03Å; L151-L165 HydrophobicContact CD2-CD1 3.87Å; L151-W171 HydrophobicContact CD1-CH2 3.71Å; L151-W171 HydrophobicContact CD1-CZ2 4.21Å; L151-W171 HydrophobicContact CD2-CH2 3.94Å; L151-W171 HydrophobicContact CG-CH2 4.45Å; L151-C180 HydrophobicContact CD1-CB 3.89Å; L151-F181 HydrophobicContact CB-CB 4.24Å; L151-F181 WeakPolarHBondContact CD1-O 3.43Å; L151-P183 HydrophobicContact CD2-CB 4.04Å; L151-P183 HydrophobicContact CD2-CG 4.12Å
152R91.6Very high88.4Confident113 Ų11342 Ų4243%0.42622%0.224SC..THydrogen-bonded Turntrans-104.218177.6-65.5-179.667.5-173.92.4112.9P148 A149 L150 Q154 E155 L156 F181P148-R152 PolarHBondContact O-N 2.82Å; A149-R152 CarbonylContact O-C 3.57Å; A149-R152 PolarHBondContact O-N 2.98Å; L150-R152 VanDerWaalsContact C-N 3.26Å; L150-R152 PolarHBondContact O-N 3Å; R152-Q154 PolarHBondContact O-N 3.38Å; R152-E155 IonicContact CZ-OE1 2.8Å; R152-E155 IonicContact CZ-OE2 3.49Å; R152-E155 IonicContact NE-OE2 3.03Å; R152-E155 PolarHBondContact NE-OE2 3.13Å; R152-E155 IonicContact NH2-OE1 3.5Å; R152-E155 PolarHBondContact NH2-OE1 3.43Å; R152-E155 IonicContact NH2-OE2 3.97Å; R152-E155 PolarHBondContact NH2-OE2 2.75Å; R152-E155 WeakPolarHBondContact O-CB 3.43Å; R152-E155 PolarHBondContact O-N 3.2Å; R152-L156 WeakPolarHBondContact O-CG 3.45Å; R152-L156 PolarHBondContact O-N 3.38Å; R152-F181 HydrophobicContact CG-CB 3.67Å; R152-F181 HydrophobicContact CG-CG 4.27Å
153L91.1Very high89Confident5 Ų539.8 Ų39.83%0.02621%0.206CC..Hα-helixtrans-60.6-37.3-172.2-175.164.3000112.3F112 I131 A149 L150 E155 L156 V157 V161 V163F112-L153 HydrophobicContact CE1-CD1 3.87Å; I131-L153 HydrophobicContact CD1-CD2 3.62Å; A149-L153 WeakPolarHBondContact O-CA 3.13Å; A149-L153 PolarHBondContact O-N 3.47Å; L150-L153 HydrophobicContact CD2-CD2 4.5Å; L150-L153 VanDerWaalsContact O-CB 3.26Å; L150-L153 WeakPolarHBondContact O-CB 3.4Å; L150-L153 PolarHBondContact O-N 3.19Å; L153-E155 VanDerWaalsContact C-N 3.28Å; L153-E155 PolarHBondContact O-N 3.42Å; L153-L156 PolarHBondContact O-N 2.88Å; L153-V157 HydrophobicContact CD1-CG2 3.59Å; L153-V157 HydrophobicContact CG-CG2 4.05Å; L153-V157 WeakPolarHBondContact O-CB 3.31Å; L153-V157 WeakPolarHBondContact O-CG2 3.24Å; L153-V157 PolarHBondContact O-N 2.83Å; L153-V161 HydrophobicContact CD2-CG1 4.09Å; L153-V163 HydrophobicContact CB-CG2 4.23Å; L153-V163 HydrophobicContact CD2-CG2 4.02Å
154Q91.4Very high89.7Confident27 Ų2737.1 Ų37.113%0.12619%0.187CC..Hα-helixtrans-55.3-42.4175.7-160.4179.420.200112.2C43 P45 R152 E158 D159 V161C43-Q154 PolarHBondContact O-NE2 3.32Å; C43-Q154 PolarHBondContact O-OE1 2.95Å; P45-Q154 HydrophobicContact CB-CB 4.02Å; R152-Q154 PolarHBondContact O-N 3.38Å; Q154-E158 WeakPolarHBondContact O-CA 3.16Å; Q154-E158 PolarHBondContact O-N 3.24Å; Q154-D159 VanDerWaalsContact CG-O 3.23Å; Q154-D159 WeakPolarHBondContact CG-O 3.29Å; Q154-V161 WeakPolarHBondContact CB-O 3.21Å; Q154-V161 WeakPolarHBondContact CG-O 3.48Å
155E90.4Very high90.3Very high112 Ų11232.1 Ų32.152%0.52316%0.157SC..Hα-helixtrans-74.1-40.9177.8-174.8-170.416900111.8R152 L153 V157R152-E155 IonicContact CZ-OE1 2.8Å; R152-E155 IonicContact CZ-OE2 3.49Å; R152-E155 IonicContact NE-OE2 3.03Å; R152-E155 PolarHBondContact NE-OE2 3.13Å; R152-E155 IonicContact NH2-OE1 3.5Å; R152-E155 PolarHBondContact NH2-OE1 3.43Å; R152-E155 IonicContact NH2-OE2 3.97Å; R152-E155 PolarHBondContact NH2-OE2 2.75Å; R152-E155 WeakPolarHBondContact O-CB 3.43Å; R152-E155 PolarHBondContact O-N 3.2Å; L153-E155 VanDerWaalsContact C-N 3.28Å; L153-E155 PolarHBondContact O-N 3.42Å; E155-V157 VanDerWaalsContact C-N 3.32Å; E155-V157 PolarHBondContact O-N 3.26Å
156L89.9Confident90.6Very high59 Ų5926.3 Ų26.331%0.30913%0.126SC..Hα-helixtrans-65.7-38.1-178.5-68.9176.6000112.1L109 V113 K117 A149 R152 L153L109-L156 HydrophobicContact CD2-CD1 4.3Å; V113-L156 HydrophobicContact CG1-CB 4.4Å; V113-L156 VanDerWaalsContact CG1-O 3.3Å; V113-L156 WeakPolarHBondContact CG1-O 3.49Å; V113-L156 HydrophobicContact CG2-CB 4.25Å; K117-L156 WeakPolarHBondContact CE-O 3.44Å; K117-L156 PolarHBondContact NZ-O 2.7Å; A149-L156 HydrophobicContact CB-CD1 4.04Å; R152-L156 WeakPolarHBondContact O-CG 3.45Å; R152-L156 PolarHBondContact O-N 3.38Å; L153-L156 PolarHBondContact O-N 2.88Å
157V86Confident90.9Very high3 Ų326.2 Ų26.22%0.01813%0.126CC..Hα-helixtrans-90.4-21.8-176.7175.40000112.4V113 Y116 K117 L153 E155 D159V113-V157 HydrophobicContact CG1-CG2 4.45Å; Y116-V157 HydrophobicContact CD1-CB 4.29Å; Y116-V157 HydrophobicContact CD1-CG1 3.11Å; Y116-V157 HydrophobicContact CD1-CG2 4.16Å; Y116-V157 HydrophobicContact CE1-CG1 3.41Å; Y116-V157 VanDerWaalsContact CE1-CG1 3.41Å; Y116-V157 HydrophobicContact CG-CG1 4Å; Y116-V157 HydrophobicContact CG-CG2 4.28Å; K117-V157 WeakPolarHBondContact CE-O 3.48Å; K117-V157 WeakPolarHBondContact CG-O 3.33Å; L153-V157 HydrophobicContact CD1-CG2 3.59Å; L153-V157 HydrophobicContact CG-CG2 4.05Å; L153-V157 WeakPolarHBondContact O-CB 3.31Å; L153-V157 WeakPolarHBondContact O-CG2 3.24Å; L153-V157 PolarHBondContact O-N 2.83Å; E155-V157 VanDerWaalsContact C-N 3.32Å; E155-V157 PolarHBondContact O-N 3.26Å; V157-D159 VanDerWaalsContact C-N 3.27Å; V157-D159 HydrophobicContact CG1-CB 3.72Å; V157-D159 PolarHBondContact O-N 3.15Å
158E85.3Confident91Very high151 Ų15129.9 Ų29.971%0.70614%0.142SC*.THydrogen-bonded Turntrans57.639.2-174.6-60.3166.3-139.800112.4K117 Q154K117-E158 IonicContact NZ-OE1 3.24Å; K117-E158 PolarHBondContact NZ-OE1 3.12Å; Q154-E158 WeakPolarHBondContact O-CA 3.16Å; Q154-E158 PolarHBondContact O-N 3.24Å
159D83.8Confident91.1Very high12 Ų1230.4 Ų30.46%0.06414%0.143CC..SBendtrans-133.9160.8177.5-174.127.8000110T120 S125 R129 Q154 V157 V161T120-D159 HydrophobicContact CG2-CB 4Å; S125-D159 PolarHBondContact OG-OD1 3.43Å; R129-D159 IonicContact CZ-OD2 2.7Å; R129-D159 IonicContact NH1-OD2 3.2Å; R129-D159 PolarHBondContact NH1-OD2 3.39Å; Q154-D159 VanDerWaalsContact CG-O 3.23Å; Q154-D159 WeakPolarHBondContact CG-O 3.29Å; V157-D159 VanDerWaalsContact C-N 3.27Å; V157-D159 HydrophobicContact CG1-CB 3.72Å; V157-D159 PolarHBondContact O-N 3.15Å; D159-V161 VanDerWaalsContact C-N 3.27Å; D159-V161 HydrophobicContact CB-CG2 4.14Å; D159-V161 PolarHBondContact O-N 3.5Å
160N87.2Confident91.2Very high8 Ų833 Ų334%0.04316%0.158CC..  trans-77.578179.6-167.69.8000111Q41 Y42 C43 T128 R129Q41-N160 PolarHBondContact O-ND2 3.45Å; Y42-N160 HydrophobicContact CD1-CB 3.91Å; Y42-N160 HydrophobicContact CE1-CB 3.75Å; C43-N160 PolarHBondContact N-OD1 3.09Å; T128-N160 CarbonylContact C-O 3.55Å; T128-N160 WeakPolarHBondContact CA-O 3.32Å; T128-N160 PolarHBondContact OG1-ND2 2.84Å; R129-N160 PolarHBondContact N-O 3.32Å
161V90.2Very high91.3Very high0 Ų032.9 Ų32.90%016%0.157CC..EExtended strand (participates in β ladder)trans-114.6132.6179.4-1760000110.1Y116 R129 I131 L153 Q154 D159Y116-V161 HydrophobicContact CE1-CG2 4.23Å; Y116-V161 WeakPolarHBondContact OH-CG2 2.99Å; R129-V161 HydrophobicContact CB-CG2 4.37Å; R129-V161 WeakPolarHBondContact O-CA 3.28Å; I131-V161 HydrophobicContact CD1-CG1 3.76Å; I131-V161 HydrophobicContact CG1-CG1 4.18Å; L153-V161 HydrophobicContact CD2-CG1 4.09Å; Q154-V161 WeakPolarHBondContact CB-O 3.21Å; Q154-V161 WeakPolarHBondContact CG-O 3.48Å; D159-V161 VanDerWaalsContact C-N 3.27Å; D159-V161 HydrophobicContact CB-CG2 4.14Å; D159-V161 PolarHBondContact O-N 3.5Å
162S91.9Very high91.2Very high2 Ų237.7 Ų37.71%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-120.8124.9174.4172.20000110.6Y44 R129 Y130 I131Y44-S162 PolarHBondContact O-OG 2.93Å; R129-S162 PolarHBondContact O-N 2.66Å; Y130-S162 WeakPolarHBondContact CA-O 3.25Å; I131-S162 PolarHBondContact N-O 2.89Å
163V94.2Very high91.2Very high0 Ų039.4 Ų39.40%019%0.194CC..EExtended strand (participates in β ladder)trans-97.9118.8178.9-176.40000110.1P45 S46 L47 I131 M133 L150 L153 L165P45-V163 PolarHBondContact O-N 3.46Å; S46-V163 CarbonylContact C-O 3.16Å; S46-V163 VanDerWaalsContact CA-O 3.25Å; S46-V163 WeakPolarHBondContact CA-O 3.37Å; L47-V163 PolarHBondContact N-O 3.01Å; I131-V163 HydrophobicContact CB-CG2 4.36Å; I131-V163 HydrophobicContact CD1-CG2 4.49Å; I131-V163 CarbonylContact O-C 3.53Å; I131-V163 WeakPolarHBondContact O-CA 3.34Å; M133-V163 HydrophobicContact CG-CG1 4.24Å; L150-V163 WeakPolarHBondContact O-CG2 3.36Å; L153-V163 HydrophobicContact CB-CG2 4.23Å; L153-V163 HydrophobicContact CD2-CG2 4.02Å; V163-L165 HydrophobicContact CG1-CD2 3.86Å; V163-L165 HydrophobicContact CG1-CG 4.3Å
164I95.4Very high91.1Very high3 Ų339.5 Ų39.52%0.01519%0.194CC..EExtended strand (participates in β ladder)trans-103.8113.7177-56.8176.9000108.7L47 I49 M65 Y130 I131 V132 M133 L166L47-I164 HydrophobicContact CB-CG1 4.24Å; L47-I164 HydrophobicContact CD2-CD1 4.46Å; L47-I164 HydrophobicContact CD2-CG1 4.25Å; L47-I164 HydrophobicContact CD2-CG2 4.19Å; L47-I164 CarbonylContact O-C 3.54Å; L47-I164 WeakPolarHBondContact O-CA 3.49Å; I49-I164 HydrophobicContact CD1-CG2 3.71Å; I49-I164 HydrophobicContact CG1-CG2 4.07Å; M65-I164 HydrophobicContact CE-CD1 3.42Å; M65-I164 VanDerWaalsContact CE-CD1 3.42Å; Y130-I164 HydrophobicContact CD1-CD1 4.09Å; I131-I164 PolarHBondContact O-N 3.01Å; V132-I164 CarbonylContact C-O 3.59Å; V132-I164 WeakPolarHBondContact CA-O 3.41Å; V132-I164 HydrophobicContact CG2-CB 4.38Å; V132-I164 HydrophobicContact CG2-CD1 4.4Å; M133-I164 PolarHBondContact N-O 3.13Å; I164-L166 HydrophobicContact CG2-CD2 3.94Å
165L94.9Very high91Very high0 Ų043.5 Ų43.50%021%0.208CC..EExtended strand (participates in β ladder)trans-97.9122.4178.8-59.1177.3000109.7L47 F48 I49 M133 A136 L139 L147 L151 V163 W171L47-L165 PolarHBondContact O-N 3.33Å; F48-L165 HydrophobicContact CD2-CB 3.72Å; F48-L165 HydrophobicContact CD2-CD1 4.1Å; F48-L165 HydrophobicContact CE2-CB 4.38Å; I49-L165 PolarHBondContact N-O 3.45Å; M133-L165 HydrophobicContact CB-CD2 3.78Å; M133-L165 HydrophobicContact CG-CD2 3.82Å; A136-L165 HydrophobicContact CB-CB 4.02Å; A136-L165 HydrophobicContact CB-CD2 4.21Å; L139-L165 HydrophobicContact CD1-CD2 4.05Å; L147-L165 HydrophobicContact CD1-CD1 4.04Å; L151-L165 HydrophobicContact CD2-CD1 3.87Å; V163-L165 HydrophobicContact CG1-CD2 3.86Å; V163-L165 HydrophobicContact CG1-CG 4.3Å; L165-W171 HydrophobicContact CD1-CZ3 4.35Å
166L95.2Very high90.8Very high3 Ų339.6 Ų39.62%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-105.2122.5175.6-52.2-176.8000110.2I49 K57 V61 V132 M133 E134 Q135 A136 I164I49-L166 HydrophobicContact CB-CD2 3.66Å; I49-L166 HydrophobicContact CD1-CD2 3.77Å; I49-L166 HydrophobicContact CG1-CD2 4.01Å; I49-L166 HydrophobicContact CG2-CD2 4.31Å; I49-L166 WeakPolarHBondContact O-CA 3.43Å; K57-L166 HydrophobicContact CB-CD2 4.45Å; V61-L166 HydrophobicContact CG2-CD2 4.23Å; V132-L166 HydrophobicContact CG1-CD1 3.92Å; V132-L166 HydrophobicContact CG1-CG 4.26Å; M133-L166 PolarHBondContact O-N 3.11Å; E134-L166 HydrophobicContact CG-CD1 4.29Å; Q135-L166 PolarHBondContact N-O 2.82Å; Q135-L166 VanDerWaalsContact N-O 3.16Å; A136-L166 PolarHBondContact N-O 3.48Å; I164-L166 HydrophobicContact CG2-CD2 3.94Å
167S94.2Very high90.7Very high2 Ų245.3 Ų45.31%0.01422%0.223CC..EExtended strand (participates in β ladder)trans-140.7161.5177.9-171.30000113.2I49 Y50 G51 K57 I169 F174I49-S167 PolarHBondContact O-N 3.45Å; Y50-S167 WeakPolarHBondContact CA-O 3.15Å; G51-S167 PolarHBondContact N-O 3.02Å; K57-S167 WeakPolarHBondContact CE-O 3.2Å; K57-S167 PolarHBondContact NZ-O 2.74Å; S167-I169 PolarHBondContact OG-N 2.8Å; S167-F174 WeakPolarHBondContact OG-CZ 3.28Å
168E93.7Very high90.7Very high85 Ų8550.8 Ų50.840%0.39726%0.256SS..SBendtrans-88-17.1165.7-61.7-173.8-164.300112.6G51 R53G51-E168 WeakPolarHBondContact O-CA 3.32Å; R53-E168 WeakPolarHBondContact CA-OE1 3.49Å; R53-E168 WeakPolarHBondContact CB-OE1 3.32Å; R53-E168 WeakPolarHBondContact CG-OE1 3.45Å
169I92.9Very high90.7Very high38 Ų3845.8 Ų45.820%0.19525%0.245CC..SBendtrans-97.6145.9-171.3-63.7171.7000110F48 E137 S167 K173 F174F48-I169 VanDerWaalsContact CZ-O 3.28Å; F48-I169 WeakPolarHBondContact CZ-O 3.34Å; E137-I169 HydrophobicContact CB-CD1 3.86Å; S167-I169 PolarHBondContact OG-N 2.8Å; I169-K173 HydrophobicContact CG2-CB 3.77Å; I169-K173 HydrophobicContact CG2-CD 3.71Å; I169-K173 HydrophobicContact CG2-CG 4.04Å; I169-F174 HydrophobicContact CB-CE2 3.93Å; I169-F174 HydrophobicContact CG2-CE2 3.95Å
170V93.3Very high90.8Very high67 Ų6746.7 Ų46.741%0.40625%0.252SS..  trans-67.5143.3175.8-171.40000110.7D172 K173V170-D172 PolarHBondContact O-N 3.34Å; V170-D172 VanDerWaalsContact O-N 3.11Å; V170-K173 PolarHBondContact O-N 3.38Å; V170-K173 VanDerWaalsContact O-N 3.13Å
171W92.9Very high90.9Very high1 Ų149.8 Ų49.80%0.00427%0.265CS..G310 helixtrans-54.1-30.7-178.3179.6-114.1000114.6F48 L151 L165 K173 F174 E182 P183 L185F48-W171 HydrophobicContact CB-CE3 4.34Å; F48-W171 HydrophobicContact CD1-CB 3.94Å; F48-W171 HydrophobicContact CD1-CE3 4.11Å; F48-W171 AromaticContact CD2-CE3 3.48Å; F48-W171 HydrophobicContact CD2-CE3 3.48Å; F48-W171 VanDerWaalsContact CD2-CE3 3.48Å; F48-W171 AromaticContact CD2-CZ3 3.79Å; F48-W171 HydrophobicContact CD2-CZ3 3.79Å; F48-W171 HydrophobicContact CE1-CB 3.79Å; F48-W171 HydrophobicContact CE1-CE3 4.24Å; F48-W171 AromaticContact CE2-CE3 3.68Å; F48-W171 HydrophobicContact CE2-CE3 3.68Å; F48-W171 HydrophobicContact CE2-CZ3 4.12Å; F48-W171 HydrophobicContact CG-CD2 4.47Å; F48-W171 AromaticContact CG-CE3 3.71Å; F48-W171 HydrophobicContact CG-CE3 3.71Å; F48-W171 HydrophobicContact CG-CZ3 4.33Å; F48-W171 HydrophobicContact CZ-CB 4.43Å; F48-W171 HydrophobicContact CZ-CE3 4.05Å; L151-W171 HydrophobicContact CD1-CH2 3.71Å; L151-W171 HydrophobicContact CD1-CZ2 4.21Å; L151-W171 HydrophobicContact CD2-CH2 3.94Å; L151-W171 HydrophobicContact CG-CH2 4.45Å; L165-W171 HydrophobicContact CD1-CZ3 4.35Å; W171-K173 PolarHBondContact O-N 3.22Å; W171-F174 HydrophobicContact CD2-CB 4.12Å; W171-F174 HydrophobicContact CE3-CB 3.59Å; W171-F174 HydrophobicContact CE3-CD2 4.23Å; W171-F174 AromaticContact CE3-CG 3.89Å; W171-F174 HydrophobicContact CE3-CG 3.89Å; W171-F174 HydrophobicContact CH2-CB 4.12Å; W171-F174 HydrophobicContact CZ3-CB 3.6Å; W171-F174 HydrophobicContact CZ3-CD1 4.26Å; W171-F174 AromaticContact CZ3-CG 3.97Å; W171-F174 HydrophobicContact CZ3-CG 3.97Å; W171-F174 WeakPolarHBondContact O-CA 3.48Å; W171-F174 VanDerWaalsContact O-CB 3.32Å; W171-F174 WeakPolarHBondContact O-CB 3.49Å; W171-F174 PolarHBondContact O-N 2.78Å; W171-E182 VanDerWaalsContact CD1-OE2 3.31Å; W171-E182 PolarHBondContact NE1-OE2 3.04Å; W171-P183 HydrophobicContact CD2-CG 3.82Å; W171-P183 HydrophobicContact CE3-CG 3.88Å; W171-P183 HydrophobicContact CH2-CG 3.61Å; W171-P183 HydrophobicContact CZ2-CG 3.54Å; W171-P183 HydrophobicContact CZ3-CG 3.78Å; W171-L185 HydrophobicContact CB-CD1 4.35Å; W171-L185 HydrophobicContact CB-CD2 3.52Å; W171-L185 HydrophobicContact CD2-CD2 4.27Å; W171-L185 HydrophobicContact CG-CD2 3.62Å
172D90.9Very high91Very high101 Ų10153.5 Ų53.554%0.5428%0.283SS..G310 helixtrans-56-28.1179.6-59.5-35.3000113.2V170 F174 R175V170-D172 PolarHBondContact O-N 3.34Å; V170-D172 VanDerWaalsContact O-N 3.11Å; D172-F174 VanDerWaalsContact C-N 3.31Å; D172-R175 IonicContact OD1-CZ 3.93Å; D172-R175 IonicContact OD1-NH1 3.02Å; D172-R175 PolarHBondContact OD1-NH1 3.34Å; D172-R175 IonicContact OD1-NH2 3.68Å; D172-R175 PolarHBondContact OD1-NH2 3.36Å
173K91Very high91Very high149 Ų14953.7 Ų53.765%0.64828%0.284SS*.G310 helixtrans-84.40176.9-56.6-166.2-171.8173.40114.1R140 I169 V170 W171R140-K173 WeakPolarHBondContact CD-O 3.28Å; R140-K173 PolarHBondContact NH1-O 3.05Å; I169-K173 HydrophobicContact CG2-CB 3.77Å; I169-K173 HydrophobicContact CG2-CD 3.71Å; I169-K173 HydrophobicContact CG2-CG 4.04Å; V170-K173 PolarHBondContact O-N 3.38Å; V170-K173 VanDerWaalsContact O-N 3.13Å; W171-K173 PolarHBondContact O-N 3.22Å
174F89.2Confident91Very high6 Ų656.7 Ų56.73%0.02630%0.3CS..THydrogen-bonded Turntrans-99.4-16.2177-75.2-99.7000112.9F48 A136 E137 R140 L147 S167 I169 W171 D172 P176F48-F174 HydrophobicContact CE2-CD1 4.47Å; F48-F174 HydrophobicContact CE2-CD2 4.09Å; F48-F174 HydrophobicContact CE2-CE1 4.24Å; F48-F174 AromaticContact CE2-CE2 3.83Å; F48-F174 HydrophobicContact CE2-CE2 3.83Å; F48-F174 HydrophobicContact CE2-CG 4.4Å; F48-F174 AromaticContact CE2-CZ 3.91Å; F48-F174 HydrophobicContact CE2-CZ 3.91Å; F48-F174 AromaticContact CZ-CD2 3.88Å; F48-F174 HydrophobicContact CZ-CD2 3.88Å; F48-F174 AromaticContact CZ-CE2 3.56Å; F48-F174 HydrophobicContact CZ-CE2 3.56Å; F48-F174 HydrophobicContact CZ-CZ 4.06Å; A136-F174 WeakPolarHBondContact O-CE1 3.49Å; E137-F174 HydrophobicContact CB-CZ 4.3Å; R140-F174 HydrophobicContact CG-CD1 3.5Å; R140-F174 VanDerWaalsContact CG-CD1 3.5Å; R140-F174 HydrophobicContact CG-CE1 3.75Å; R140-F174 HydrophobicContact CG-CG 4.14Å; L147-F174 HydrophobicContact CD2-CB 4.22Å; L147-F174 HydrophobicContact CD2-CD1 4.06Å; S167-F174 WeakPolarHBondContact OG-CZ 3.28Å; I169-F174 HydrophobicContact CB-CE2 3.93Å; I169-F174 HydrophobicContact CG2-CE2 3.95Å; W171-F174 HydrophobicContact CD2-CB 4.12Å; W171-F174 HydrophobicContact CE3-CB 3.59Å; W171-F174 HydrophobicContact CE3-CD2 4.23Å; W171-F174 AromaticContact CE3-CG 3.89Å; W171-F174 HydrophobicContact CE3-CG 3.89Å; W171-F174 HydrophobicContact CH2-CB 4.12Å; W171-F174 HydrophobicContact CZ3-CB 3.6Å; W171-F174 HydrophobicContact CZ3-CD1 4.26Å; W171-F174 AromaticContact CZ3-CG 3.97Å; W171-F174 HydrophobicContact CZ3-CG 3.97Å; W171-F174 WeakPolarHBondContact O-CA 3.48Å; W171-F174 VanDerWaalsContact O-CB 3.32Å; W171-F174 WeakPolarHBondContact O-CB 3.49Å; W171-F174 PolarHBondContact O-N 2.78Å; D172-F174 VanDerWaalsContact C-N 3.31Å; F174-P176 VanDerWaalsContact O-CD 3.25Å; F174-P176 WeakPolarHBondContact O-CD 3.42Å; F174-P176 VanDerWaalsContact O-N 3.16Å
175R88.9Confident90.9Very high112 Ų11260.3 Ų60.342%0.42332%0.319SS..  trans-62.4116.7-176.8-68.3-165.8177.9102.211110.8D172 E182D172-R175 IonicContact OD1-CZ 3.93Å; D172-R175 IonicContact OD1-NH1 3.02Å; D172-R175 PolarHBondContact OD1-NH1 3.34Å; D172-R175 IonicContact OD1-NH2 3.68Å; D172-R175 PolarHBondContact OD1-NH2 3.36Å; R175-E182 IonicContact CZ-OE1 2.8Å; R175-E182 IonicContact NE-OE1 3.87Å; R175-E182 PolarHBondContact NE-OE1 3.45Å; R175-E182 IonicContact NE-OE2 3.58Å; R175-E182 IonicContact NH2-OE1 2.78Å; R175-E182 IonicContact NH2-OE2 2.62Å; R175-E182 PolarHBondContact NH2-OE2 3.34Å
176P87Confident90.8Very high30 Ų3061.1 Ų61.120%0.19532%0.323CS..  trans-76157.8173.433-33.4000110.3P148 F174 T178 G179 C180P148-P176 HydrophobicContact CG-CG 4.25Å; F174-P176 VanDerWaalsContact O-CD 3.25Å; F174-P176 WeakPolarHBondContact O-CD 3.42Å; F174-P176 VanDerWaalsContact O-N 3.16Å; P176-T178 PolarHBondContact O-N 3.23Å; P176-T178 VanDerWaalsContact O-N 3.14Å; P176-G179 PolarHBondContact O-N 3.01Å; P176-G179 VanDerWaalsContact O-N 3.09Å; P176-C180 WeakPolarHBondContact CD-SG 3.26Å; P176-C180 HydrophobicContact CG-CB 3.89Å
177N86.4Confident90.8Very high179 Ų17965.3 Ų65.396%0.95734%0.342SS*.THydrogen-bonded Turntrans-61.1-25.7-179.7-64-22.2000113.4G179N177-G179 VanDerWaalsContact C-N 3.31Å
178T85.5Confident90.7Very high117 Ų11765.2 Ų65.272%0.71834%0.341SS*.THydrogen-bonded Turntrans-85.4-0.9-17952.10000113.7P176P176-T178 PolarHBondContact O-N 3.23Å; P176-T178 VanDerWaalsContact O-N 3.14Å
179G85.3Confident90.6Very high46 Ų4663 Ų6347%0.47434%0.335SS..  trans74.6160.1-169.900000112.8P176 N177P176-G179 PolarHBondContact O-N 3.01Å; P176-G179 VanDerWaalsContact O-N 3.09Å; N177-G179 VanDerWaalsContact C-N 3.31Å
180C87Confident90.5Very high31 Ų3164.3 Ų64.321%0.20934%0.342CS..  trans-151.7167.3177.860.40000110.4P148 L151 P176 E182P148-C180 HydrophobicContact CB-CB 4.47Å; P148-C180 HydrophobicContact CG-CB 4.48Å; L151-C180 HydrophobicContact CD1-CB 3.89Å; P176-C180 WeakPolarHBondContact CD-SG 3.26Å; P176-C180 HydrophobicContact CG-CB 3.89Å; C180-E182 PolarHBondContact O-N 3.03Å
181F89.7Confident90.4Very high73 Ų7362.2 Ų62.232%0.3233%0.327SS..  trans-67128.1171.2-179-94.9000109.7Y44 P45 L151 R152 P183Y44-F181 AromaticContact CE1-CE1 3.72Å; Y44-F181 HydrophobicContact CE1-CE1 3.72Å; Y44-F181 HydrophobicContact CE1-CZ 4.11Å; Y44-F181 AromaticContact CZ-CE1 3.89Å; Y44-F181 AromaticContact CZ-CZ 3.81Å; Y44-F181 WeakPolarHBondContact OH-CZ 3.45Å; P45-F181 HydrophobicContact CB-CE1 4.19Å; P45-F181 HydrophobicContact CG-CE1 3.9Å; P45-F181 HydrophobicContact CG-CZ 3.89Å; L151-F181 HydrophobicContact CB-CB 4.24Å; L151-F181 WeakPolarHBondContact CD1-O 3.43Å; R152-F181 HydrophobicContact CG-CB 3.67Å; R152-F181 HydrophobicContact CG-CG 4.27Å; F181-P183 WeakPolarHBondContact O-CD 3.49Å
182E90.9Very high90.4Very high79 Ų7964.3 Ų64.337%0.36934%0.342SS..  trans-78.7115.9-177.3-71.2-79.6161.300110Y44 W171 R175 C180Y44-E182 PolarHBondContact OH-O 3.01Å; W171-E182 VanDerWaalsContact CD1-OE2 3.31Å; W171-E182 PolarHBondContact NE1-OE2 3.04Å; R175-E182 IonicContact CZ-OE1 2.8Å; R175-E182 IonicContact NE-OE1 3.87Å; R175-E182 PolarHBondContact NE-OE1 3.45Å; R175-E182 IonicContact NE-OE2 3.58Å; R175-E182 IonicContact NH2-OE1 2.78Å; R175-E182 IonicContact NH2-OE2 2.62Å; R175-E182 PolarHBondContact NH2-OE2 3.34Å; C180-E182 PolarHBondContact O-N 3.03Å
183P92.9Very high90.3Very high6 Ų663.1 Ų63.14%0.03933%0.332CS..PPolyproline II helixtrans-71159.7175.732-34.8000110.4S46 F48 L151 W171 F181 L185S46-P183 VanDerWaalsContact O-CA 3.27Å; S46-P183 WeakPolarHBondContact O-CA 3.34Å; S46-P183 VanDerWaalsContact O-CB 3.28Å; S46-P183 WeakPolarHBondContact O-CB 3.21Å; F48-P183 HydrophobicContact CB-CB 3.93Å; F48-P183 HydrophobicContact CB-CG 3.71Å; L151-P183 HydrophobicContact CD2-CB 4.04Å; L151-P183 HydrophobicContact CD2-CG 4.12Å; W171-P183 HydrophobicContact CD2-CG 3.82Å; W171-P183 HydrophobicContact CE3-CG 3.88Å; W171-P183 HydrophobicContact CH2-CG 3.61Å; W171-P183 HydrophobicContact CZ2-CG 3.54Å; W171-P183 HydrophobicContact CZ3-CG 3.78Å; F181-P183 WeakPolarHBondContact O-CD 3.49Å; P183-L185 HydrophobicContact CG-CD2 4.35Å; P183-L185 PolarHBondContact O-N 2.93Å
184L93Very high90.3Very high62 Ų6259.4 Ų59.433%0.32533%0.329SS..EExtended strand (participates in β ladder)trans-71.8126.9170.7-173.873000109.5L35 Y44 S46 L47 F48L35-L184 HydrophobicContact CD1-CD2 3.45Å; L35-L184 VanDerWaalsContact CD1-CD2 3.45Å; L35-L184 HydrophobicContact CD2-CD2 3.33Å; L35-L184 HydrophobicContact CG-CD2 3.99Å; Y44-L184 HydrophobicContact CD1-CB 3.97Å; Y44-L184 HydrophobicContact CE1-CB 4Å; S46-L184 PolarHBondContact O-N 2.88Å; L47-L184 HydrophobicContact CD1-CB 4.01Å; L47-L184 HydrophobicContact CD1-CD2 3.99Å; L47-L184 HydrophobicContact CD1-CG 4.22Å; L47-L184 WeakPolarHBondContact CD1-O 3.43Å; F48-L184 PolarHBondContact N-O 2.76Å
185L93.9Very high90.4Very high80 Ų8061.6 Ų61.642%0.41934%0.339SS..EExtended strand (participates in β ladder)trans-91.3125.4-176.4-55.7179.8000110.7F48 W171 P183F48-L185 HydrophobicContact CB-CD2 3.97Å; F48-L185 HydrophobicContact CD1-CD2 3.76Å; F48-L185 HydrophobicContact CG-CD2 4.21Å; W171-L185 HydrophobicContact CB-CD1 4.35Å; W171-L185 HydrophobicContact CB-CD2 3.52Å; W171-L185 HydrophobicContact CD2-CD2 4.27Å; W171-L185 HydrophobicContact CG-CD2 3.62Å; P183-L185 HydrophobicContact CG-CD2 4.35Å; P183-L185 PolarHBondContact O-N 2.93Å
186L93.3Very high90.4Very high16 Ų1656.3 Ų56.38%0.08432%0.319CS..EExtended strand (participates in β ladder)trans-123.7119.7174.1-171.167.2000110.5M31 L32 L47 F48 I49 Y50 F188M31-L186 HydrophobicContact CB-CD1 4.3Å; M31-L186 HydrophobicContact SD-CD1 4.07Å; L32-L186 HydrophobicContact CD1-CD2 4.29Å; L32-L186 HydrophobicContact CD2-CD2 3.43Å; L32-L186 VanDerWaalsContact CD2-CD2 3.43Å; L32-L186 HydrophobicContact CG-CD2 3.6Å; L47-L186 HydrophobicContact CD1-CB 4.32Å; F48-L186 PolarHBondContact O-N 2.91Å; I49-L186 WeakPolarHBondContact CA-O 3.39Å; I49-L186 HydrophobicContact CD1-CD2 4.43Å; I49-L186 HydrophobicContact CG1-CB 4.34Å; I49-L186 HydrophobicContact CG1-CD2 4.43Å; Y50-L186 PolarHBondContact N-O 3.16Å; L186-F188 HydrophobicContact CD2-CD2 4.49Å; L186-F188 HydrophobicContact CD2-CE2 3.7Å; L186-F188 HydrophobicContact CG-CD2 4.39Å; L186-F188 HydrophobicContact CG-CE2 4.06Å
187H94.1Very high90.6Very high91 Ų9157.2 Ų57.242%0.42132%0.322SS..EExtended strand (participates in β ladder)trans-92.4128.3-179.8176.8-117.5000111.7Y50 P189Y50-H187 AromaticContact CD2-CD2 3.96Å; Y50-H187 HydrophobicContact CE1-CB 3.88Å; Y50-H187 HydrophobicContact CE2-CB 4.35Å; Y50-H187 AromaticContact CE2-CD2 3.4Å; Y50-H187 VanDerWaalsContact CE2-CD2 3.4Å; Y50-H187 WeakPolarHBondContact CE2-CD2 3.46Å; Y50-H187 AromaticContact CZ-CD2 3.67Å; Y50-H187 AromaticContact CZ-CG 3.96Å; H187-P189 WeakPolarHBondContact O-CD 3.35Å
188F93.7Very high90.7Very high0 Ų054 Ų540%030%0.302CS..  trans-101.9105.7170.1-87.3-121.6000109.2Q28 L32 I49 Y50 G51 K57 V60 L186Q28-F188 HydrophobicContact CB-CE1 4.1Å; Q28-F188 HydrophobicContact CB-CE2 3.98Å; Q28-F188 HydrophobicContact CB-CZ 3.73Å; Q28-F188 HydrophobicContact CG-CD2 4.34Å; Q28-F188 HydrophobicContact CG-CE1 4.47Å; Q28-F188 HydrophobicContact CG-CE2 4.25Å; Q28-F188 HydrophobicContact CG-CG 4.5Å; Q28-F188 HydrophobicContact CG-CZ 4.32Å; L32-F188 HydrophobicContact CD1-CE2 4.49Å; L32-F188 HydrophobicContact CD1-CZ 4.05Å; I49-F188 HydrophobicContact CD1-CE2 4.45Å; I49-F188 HydrophobicContact CG2-CD2 3.21Å; I49-F188 HydrophobicContact CG2-CE2 3.31Å; I49-F188 HydrophobicContact CG2-CG 4.04Å; I49-F188 HydrophobicContact CG2-CZ 4.2Å; Y50-F188 PolarHBondContact O-N 2.87Å; G51-F188 WeakPolarHBondContact CA-O 3.4Å; K57-F188 HydrophobicContact CB-CD1 4.47Å; K57-F188 HydrophobicContact CD-CB 4.34Å; K57-F188 HydrophobicContact CG-CB 3.92Å; K57-F188 HydrophobicContact CG-CD1 3.94Å; K57-F188 HydrophobicContact CG-CG 3.91Å; V60-F188 HydrophobicContact CB-CE1 4.04Å; V60-F188 HydrophobicContact CB-CZ 4.41Å; V60-F188 HydrophobicContact CG1-CE1 4.2Å; V60-F188 HydrophobicContact CG1-CZ 4.14Å; V60-F188 HydrophobicContact CG2-CE1 4.02Å; L186-F188 HydrophobicContact CD2-CD2 4.49Å; L186-F188 HydrophobicContact CD2-CE2 3.7Å; L186-F188 HydrophobicContact CG-CD2 4.39Å; L186-F188 HydrophobicContact CG-CE2 4.06Å
189P91.7Very high90.9Very high40 Ų4049.8 Ų49.826%0.2627%0.274SS..PPolyproline II helixtrans-67.6164.5179.829.5-34.7000111.6R25 H187R25-P189 PolarHBondContact NH2-O 3.48Å; H187-P189 WeakPolarHBondContact O-CD 3.35Å
190D90.9Very high90.9Very high65 Ų6547.9 Ų47.935%0.34825%0.253SS..PPolyproline II helixtrans-69153.1169-68.5-22.9000111.1H52H52-D190 VanDerWaalsContact CB-OD1 3.3Å; H52-D190 WeakPolarHBondContact CB-OD1 3.09Å; H52-D190 IonicContact CD2-OD1 2.66Å; H52-D190 PolarHBondContact CD2-OD1 3.36Å; H52-D190 IonicContact CD2-OD2 2.74Å; H52-D190 PolarHBondContact CD2-OD2 2.95Å; H52-D190 IonicContact CG-OD1 3.91Å; H52-D190 IonicContact NE2-OD2 3.94Å
191Y90.9Very high90.9Very high23 Ų2347.8 Ų47.89%0.0925%0.253CS..PPolyproline II helixtrans-72.1132.4173.6-66.2-73.9000111C24 R25 A54 S55 E195 L196 I199 L231C24-Y191 HydrophobicContact CB-CD1 4.48Å; C24-Y191 HydrophobicContact CB-CE1 4.33Å; R25-Y191 HydrophobicContact CG-CE1 3.97Å; R25-Y191 WeakPolarHBondContact CG-OH 3.12Å; R25-Y191 VanDerWaalsContact CZ-CD1 3.42Å; R25-Y191 VanDerWaalsContact NH2-CE1 3.29Å; A54-Y191 VanDerWaalsContact O-CE2 3.26Å; A54-Y191 WeakPolarHBondContact O-CE2 3.39Å; S55-Y191 PolarHBondContact O-OH 3.16Å; Y191-E195 HydrophobicContact CD1-CB 4.03Å; Y191-E195 WeakPolarHBondContact CD1-OE2 3.33Å; Y191-L196 HydrophobicContact CD2-CD2 4.14Å; Y191-L196 HydrophobicContact CG-CD2 4.04Å; Y191-I199 HydrophobicContact CD1-CD1 3.47Å; Y191-I199 VanDerWaalsContact CD1-CD1 3.47Å; Y191-I199 HydrophobicContact CE1-CD1 3.35Å; Y191-I199 HydrophobicContact CE2-CD1 4.44Å; Y191-I199 HydrophobicContact CG-CD1 4.09Å; Y191-L231 HydrophobicContact CE2-CD2 4.44Å
192S91.3Very high90.3Very high44 Ų4447.6 Ų47.631%0.30827%0.265SS..PPolyproline II helixtrans-68.6162.516969.60000111A194 E195 L196S192-A194 PolarHBondContact O-N 2.88Å; S192-E195 WeakPolarHBondContact CB-OE1 3.44Å; S192-E195 PolarHBondContact O-N 2.91Å; S192-E195 VanDerWaalsContact OG-CG 3.23Å; S192-E195 WeakPolarHBondContact OG-CG 3.2Å; S192-E195 PolarHBondContact OG-N 2.62Å; S192-E195 PolarHBondContact OG-OE1 2.78Å; S192-L196 WeakPolarHBondContact O-CG 3.43Å; S192-L196 PolarHBondContact O-N 2.8Å
193K90.4Very high89.2Confident76 Ų7646 Ų4633%0.3327%0.269SS..Hα-helixtrans-56.6-37.5176.8-174.8-176.5175.3-171.60111.8L197 N218 L221 Y225K193-L197 WeakPolarHBondContact O-CB 3.38Å; K193-L197 PolarHBondContact O-N 2.92Å; K193-N218 PolarHBondContact NZ-OD1 3.21Å; K193-L221 HydrophobicContact CG-CB 4.35Å; K193-L221 HydrophobicContact CG-CD1 4.37Å; K193-Y225 HydrophobicContact CB-CD2 4.4Å; K193-Y225 HydrophobicContact CB-CE1 4.45Å; K193-Y225 HydrophobicContact CB-CE2 4.12Å
194A90.8Very high87.9Confident72 Ų7253.9 Ų53.960%0.59530%0.298SS*.Hα-helixtrans-68-44.3178.700000111.7S192 L197 Q198S192-A194 PolarHBondContact O-N 2.88Å; A194-L197 WeakPolarHBondContact O-CB 3.46Å; A194-L197 PolarHBondContact O-N 2.96Å; A194-Q198 PolarHBondContact O-N 2.99Å
195E90.4Very high86.4Confident52 Ų5254.8 Ų54.824%0.24330%0.303CS..Hα-helixtrans-62.2-45.3175.6-69.2161-127.900111.4C24 R25 Y191 S192 L197 Q198 I199C24-E195 HydrophobicContact CB-CB 3.96Å; C24-E195 HydrophobicContact CB-CG 3.75Å; R25-E195 IonicContact CZ-OE2 2.89Å; R25-E195 IonicContact NH1-OE2 2.66Å; R25-E195 PolarHBondContact NH1-OE2 3.13Å; R25-E195 IonicContact NH2-OE2 3.84Å; Y191-E195 HydrophobicContact CD1-CB 4.03Å; Y191-E195 WeakPolarHBondContact CD1-OE2 3.33Å; S192-E195 WeakPolarHBondContact CB-OE1 3.44Å; S192-E195 PolarHBondContact O-N 2.91Å; S192-E195 VanDerWaalsContact OG-CG 3.23Å; S192-E195 WeakPolarHBondContact OG-CG 3.2Å; S192-E195 PolarHBondContact OG-N 2.62Å; S192-E195 PolarHBondContact OG-OE1 2.78Å; E195-L197 VanDerWaalsContact C-N 3.29Å; E195-L197 PolarHBondContact O-N 3.49Å; E195-Q198 PolarHBondContact O-N 2.83Å; E195-I199 WeakPolarHBondContact O-CG1 3.44Å; E195-I199 PolarHBondContact O-N 3.36Å
196L89.8Confident84.9Confident0 Ų057 Ų570%032%0.322CS..Hα-helixtrans-59.8-40.7176.1-72.8177.3000112Y191 S192 Q198 I199 L200 L221 Y225 L231 L234Y191-L196 HydrophobicContact CD2-CD2 4.14Å; Y191-L196 HydrophobicContact CG-CD2 4.04Å; S192-L196 WeakPolarHBondContact O-CG 3.43Å; S192-L196 PolarHBondContact O-N 2.8Å; L196-Q198 VanDerWaalsContact C-N 3.35Å; L196-I199 PolarHBondContact O-N 3.29Å; L196-L200 VanDerWaalsContact O-CB 3.27Å; L196-L200 WeakPolarHBondContact O-CB 3.34Å; L196-L200 VanDerWaalsContact O-CG 3.27Å; L196-L200 WeakPolarHBondContact O-CG 3.08Å; L196-L200 PolarHBondContact O-N 3.15Å; L196-L221 HydrophobicContact CB-CD1 4.11Å; L196-L221 HydrophobicContact CB-CD2 4.23Å; L196-L221 HydrophobicContact CD1-CD2 4.29Å; L196-Y225 HydrophobicContact CD1-CD2 3.94Å; L196-Y225 HydrophobicContact CD1-CE2 3.82Å; L196-L231 HydrophobicContact CD2-CB 4.32Å; L196-L231 HydrophobicContact CD2-CD1 3.84Å; L196-L234 HydrophobicContact CD1-CD1 4Å
197L90.5Very high83.6Confident49 Ų4960.8 Ų60.826%0.25735%0.35SS..Hα-helixtrans-61.4-45.8176.3-175.7152.1000110.7K193 A194 E195 S201 I217 N218 L221K193-L197 WeakPolarHBondContact O-CB 3.38Å; K193-L197 PolarHBondContact O-N 2.92Å; A194-L197 WeakPolarHBondContact O-CB 3.46Å; A194-L197 PolarHBondContact O-N 2.96Å; E195-L197 VanDerWaalsContact C-N 3.29Å; E195-L197 PolarHBondContact O-N 3.49Å; L197-S201 WeakPolarHBondContact O-CB 3.35Å; L197-S201 PolarHBondContact O-N 2.67Å; L197-S201 PolarHBondContact O-OG 3.32Å; L197-S201 VanDerWaalsContact O-OG 3.14Å; L197-I217 HydrophobicContact CG-CG2 4.32Å; L197-N218 HydrophobicContact CD1-CB 3.78Å; L197-L221 HydrophobicContact CB-CD1 3.84Å
198Q88.6Confident82.6Confident112 Ų11260 Ų6052%0.52334%0.344SS..Hα-helixtrans-61.4-48.6177.8-174.6176.8-9.300111.4A194 E195 L196 S201 A202A194-Q198 PolarHBondContact O-N 2.99Å; E195-Q198 PolarHBondContact O-N 2.83Å; L196-Q198 VanDerWaalsContact C-N 3.35Å; Q198-S201 PolarHBondContact O-N 3.14Å; Q198-S201 PolarHBondContact O-OG 3.3Å; Q198-A202 PolarHBondContact O-N 3.46Å
199I88.8Confident81.9Confident28 Ų2862.4 Ų62.414%0.14436%0.361CS..Hα-helixtrans-63.7-49-178.7-62.8164.5000111.1P23 C24 Y191 E195 L196 S201 A202 L231P23-I199 HydrophobicContact CB-CG1 4.28Å; P23-I199 HydrophobicContact CG-CG1 4.03Å; C24-I199 HydrophobicContact CB-CD1 4.32Å; Y191-I199 HydrophobicContact CD1-CD1 3.47Å; Y191-I199 VanDerWaalsContact CD1-CD1 3.47Å; Y191-I199 HydrophobicContact CE1-CD1 3.35Å; Y191-I199 HydrophobicContact CE2-CD1 4.44Å; Y191-I199 HydrophobicContact CG-CD1 4.09Å; E195-I199 WeakPolarHBondContact O-CG1 3.44Å; E195-I199 PolarHBondContact O-N 3.36Å; L196-I199 PolarHBondContact O-N 3.29Å; I199-S201 VanDerWaalsContact C-N 3.32Å; I199-S201 PolarHBondContact O-N 2.79Å; I199-A202 VanDerWaalsContact O-CB 3.32Å; I199-A202 WeakPolarHBondContact O-CB 3.24Å; I199-A202 PolarHBondContact O-N 3.05Å; I199-L231 HydrophobicContact CB-CD1 4.37Å; I199-L231 HydrophobicContact CG2-CD1 3.8Å; I199-L231 HydrophobicContact CG2-CD2 3.9Å; I199-L231 HydrophobicContact CG2-CG 4.48Å
200L87.1Confident81.2Confident7 Ų762.8 Ų62.84%0.03737%0.368CS..Hα-helixtrans-66.2-36.5-179-71.1171.4000111.5L196 A202 G203 Y213 I217 L221 L231 L234 Q235L196-L200 VanDerWaalsContact O-CB 3.27Å; L196-L200 WeakPolarHBondContact O-CB 3.34Å; L196-L200 VanDerWaalsContact O-CG 3.27Å; L196-L200 WeakPolarHBondContact O-CG 3.08Å; L196-L200 PolarHBondContact O-N 3.15Å; L200-A202 PolarHBondContact O-N 3.08Å; L200-A202 VanDerWaalsContact O-N 3.14Å; L200-G203 PolarHBondContact O-N 3.45Å; L200-Y213 WeakPolarHBondContact O-CE1 3.43Å; L200-I217 HydrophobicContact CB-CD1 4.18Å; L200-I217 HydrophobicContact CB-CG1 4.31Å; L200-I217 HydrophobicContact CB-CG2 3.8Å; L200-I217 HydrophobicContact CD1-CG2 4.03Å; L200-L221 HydrophobicContact CD1-CD2 4.09Å; L200-L221 HydrophobicContact CD1-CG 4.48Å; L200-L231 HydrophobicContact CD2-CD1 3.81Å; L200-L231 HydrophobicContact CG-CD1 3.99Å; L200-L234 HydrophobicContact CD1-CB 4.15Å; L200-Q235 HydrophobicContact CD2-CB 3.85Å; L200-Q235 HydrophobicContact CD2-CG 4.38Å
201S85.6Confident80.8Confident29 Ų2966.9 Ų66.920%0.20339%0.385CS..Hα-helixtrans-65-14.8177.774.10000114.4L197 Q198 I199 R204L197-S201 WeakPolarHBondContact O-CB 3.35Å; L197-S201 PolarHBondContact O-N 2.67Å; L197-S201 PolarHBondContact O-OG 3.32Å; L197-S201 VanDerWaalsContact O-OG 3.14Å; Q198-S201 PolarHBondContact O-N 3.14Å; Q198-S201 PolarHBondContact O-OG 3.3Å; I199-S201 VanDerWaalsContact C-N 3.32Å; I199-S201 PolarHBondContact O-N 2.79Å; S201-R204 VanDerWaalsContact O-CG 3.32Å; S201-R204 WeakPolarHBondContact O-CG 3.21Å
202A78.6Confident80.5Confident69 Ų6966.2 Ų66.257%0.5738%0.382SS*.THydrogen-bonded Turntrans-75.5-26.5175.900000112.9Q198 I199 L200 R204Q198-A202 PolarHBondContact O-N 3.46Å; I199-A202 VanDerWaalsContact O-CB 3.32Å; I199-A202 WeakPolarHBondContact O-CB 3.24Å; I199-A202 PolarHBondContact O-N 3.05Å; L200-A202 PolarHBondContact O-N 3.08Å; L200-A202 VanDerWaalsContact O-N 3.14Å; A202-R204 PolarHBondContact O-N 3.02Å
203G67.5Low80.2Confident44 Ų4465.3 Ų65.345%0.45437%0.372SS..SBendtrans-76.251177.600000113.6L200L200-G203 PolarHBondContact O-N 3.45Å
204R65Low80Confident172 Ų17263.4 Ų63.465%0.64937%0.368SS*.  trans-63.9140.9-170.1-64.1178.5179.6173.1-0.6112.7S201 A202S201-R204 VanDerWaalsContact O-CG 3.32Å; S201-R204 WeakPolarHBondContact O-CG 3.21Å; A202-R204 PolarHBondContact O-N 3.02Å
205N61.3Low79.8Confident81 Ų8161.8 Ų61.843%0.43335%0.353SS..  trans-89.5131.5156.7-86.6-36000109.4S207 F242N205-S207 PolarHBondContact O-N 2.85Å; N205-S207 VanDerWaalsContact O-N 3.13Å; N205-F242 HydrophobicContact CB-CE1 4.14Å; N205-F242 WeakPolarHBondContact ND2-CD1 3.32Å; N205-F242 VanDerWaalsContact ND2-CE1 3.34Å; N205-F242 WeakPolarHBondContact ND2-CE1 3.26Å
206P62.3Low79.7Confident127 Ų12759.3 Ų59.383%0.82534%0.341SS*.THydrogen-bonded Turntrans-68.1-11.6-173.825-33000114.7
207S65.7Low79.7Confident95 Ų9559.3 Ų59.366%0.66434%0.341SS*.THydrogen-bonded Turntrans-82.8-12.2-172.7-49.40000115.4N205N205-S207 PolarHBondContact O-N 2.85Å; N205-S207 VanDerWaalsContact O-N 3.13Å
208Y72.9Confident79.7Confident74 Ų7460.6 Ų60.629%0.2935%0.348SS..SBendtrans-134158.9-173.5-63.6-80.4000112.7F212 F242 C246Y208-F212 HydrophobicContact CD1-CD1 4.33Å; Y208-F212 HydrophobicContact CD1-CE1 4.25Å; Y208-F212 HydrophobicContact CG-CD1 4.3Å; Y208-F212 HydrophobicContact CG-CE1 4.41Å; Y208-F242 HydrophobicContact CD2-CE1 4Å; Y208-F242 AromaticContact CD2-CZ 3.66Å; Y208-F242 HydrophobicContact CD2-CZ 3.66Å; Y208-F242 HydrophobicContact CE2-CE1 4.11Å; Y208-F242 HydrophobicContact CE2-CZ 4.09Å; Y208-F242 HydrophobicContact CG-CZ 4.4Å; Y208-C246 HydrophobicContact CE2-CB 4.37Å
209S79.1Confident79.7Confident52 Ų5256.3 Ų56.336%0.36433%0.329SS..  trans-60.6143.3176.8177.90000112.5E211 F212 Y213S209-E211 PolarHBondContact O-N 3.29Å; S209-E211 PolarHBondContact OG-N 3.44Å; S209-F212 WeakPolarHBondContact O-CB 3.45Å; S209-F212 PolarHBondContact O-N 3.07Å; S209-F212 VanDerWaalsContact O-N 3.17Å; S209-Y213 PolarHBondContact O-N 2.88Å; S209-Y213 VanDerWaalsContact O-N 3.17Å
210A78.3Confident79.7Confident48 Ų4855 Ų5540%0.39732%0.322SS..Hα-helixtrans-61.2-34176.400000112.3F212 Y213 S214A210-F212 VanDerWaalsContact C-N 3.34Å; A210-Y213 PolarHBondContact O-N 3.19Å; A210-S214 WeakPolarHBondContact O-CB 3.48Å; A210-S214 PolarHBondContact O-N 2.86Å; A210-S214 PolarHBondContact O-OG 3.3Å
211E82.8Confident79.8Confident151 Ų15154.7 Ų54.771%0.70632%0.321SS*.Hα-helixtrans-66.6-38.4177.5-64.9-178.4174.900111.5S209 S214 S215S209-E211 PolarHBondContact O-N 3.29Å; S209-E211 PolarHBondContact OG-N 3.44Å; E211-S214 WeakPolarHBondContact CA-OG 3.33Å; E211-S214 PolarHBondContact O-N 2.94Å; E211-S214 PolarHBondContact O-OG 3.31Å; E211-S215 WeakPolarHBondContact O-CB 3.42Å; E211-S215 PolarHBondContact O-N 3.37Å; E211-S215 PolarHBondContact O-OG 2.76Å
212F83.1Confident80Confident9 Ų955.4 Ų55.44%0.03933%0.332CS..Hα-helixtrans-63.9-48.2176.7-179.7-102.7000111.2Y208 S209 A210 S214 S215 Y216 F242 F245 V249 E256 L262Y208-F212 HydrophobicContact CD1-CD1 4.33Å; Y208-F212 HydrophobicContact CD1-CE1 4.25Å; Y208-F212 HydrophobicContact CG-CD1 4.3Å; Y208-F212 HydrophobicContact CG-CE1 4.41Å; S209-F212 WeakPolarHBondContact O-CB 3.45Å; S209-F212 PolarHBondContact O-N 3.07Å; S209-F212 VanDerWaalsContact O-N 3.17Å; A210-F212 VanDerWaalsContact C-N 3.34Å; F212-S214 PolarHBondContact O-N 3.02Å; F212-S215 WeakPolarHBondContact O-CB 3.45Å; F212-S215 PolarHBondContact O-N 3.23Å; F212-Y216 PolarHBondContact O-N 3.09Å; F212-F242 HydrophobicContact CE1-CE2 4.43Å; F212-F245 HydrophobicContact CD1-CE1 4.28Å; F212-F245 HydrophobicContact CD2-CE1 4.33Å; F212-F245 AromaticContact CE1-CD1 3.75Å; F212-F245 HydrophobicContact CE1-CD1 3.75Å; F212-F245 AromaticContact CE1-CE1 3.55Å; F212-F245 HydrophobicContact CE1-CE1 3.55Å; F212-F245 HydrophobicContact CE2-CD1 4.45Å; F212-F245 AromaticContact CE2-CE1 3.62Å; F212-F245 HydrophobicContact CE2-CE1 3.62Å; F212-F245 HydrophobicContact CE2-CZ 4.25Å; F212-F245 AromaticContact CZ-CD1 3.59Å; F212-F245 HydrophobicContact CZ-CD1 3.59Å; F212-F245 AromaticContact CZ-CE1 3.18Å; F212-F245 HydrophobicContact CZ-CE1 3.18Å; F212-F245 HydrophobicContact CZ-CZ 4.17Å; F212-V249 HydrophobicContact CE2-CG2 4.16Å; F212-V249 HydrophobicContact CZ-CG2 3.98Å; F212-E256 HydrophobicContact CD2-CB 4.12Å; F212-E256 HydrophobicContact CE2-CB 4.5Å; F212-L262 HydrophobicContact CE2-CD1 3.57Å; F212-L262 HydrophobicContact CZ-CD1 4.26Å
213Y85.8Confident80.4Confident24 Ų2452.8 Ų52.89%0.09431%0.309CS..Hα-helixtrans-65.3-40.3177.8-167.9-104.8000112.3L200 S209 A210 S215 Y216 I217 F242L200-Y213 WeakPolarHBondContact O-CE1 3.43Å; S209-Y213 PolarHBondContact O-N 2.88Å; S209-Y213 VanDerWaalsContact O-N 3.17Å; A210-Y213 PolarHBondContact O-N 3.19Å; Y213-S215 VanDerWaalsContact C-N 3.29Å; Y213-S215 PolarHBondContact O-N 3.26Å; Y213-Y216 HydrophobicContact CD2-CD1 4.17Å; Y213-Y216 HydrophobicContact CE2-CD1 4Å; Y213-Y216 HydrophobicContact CE2-CE1 4.32Å; Y213-Y216 WeakPolarHBondContact O-CB 3.47Å; Y213-Y216 PolarHBondContact O-N 3.14Å; Y213-I217 HydrophobicContact CD1-CG1 4.01Å; Y213-I217 HydrophobicContact CE1-CD1 4Å; Y213-I217 HydrophobicContact CE1-CG1 3.67Å; Y213-I217 WeakPolarHBondContact O-CG1 3.33Å; Y213-I217 PolarHBondContact O-N 3.33Å; Y213-F242 AromaticContact CD2-CD2 3.99Å; Y213-F242 HydrophobicContact CD2-CD2 3.99Å; Y213-F242 AromaticContact CD2-CE2 3.54Å; Y213-F242 HydrophobicContact CD2-CE2 3.54Å; Y213-F242 HydrophobicContact CD2-CZ 4.06Å; Y213-F242 AromaticContact CE2-CD2 3.88Å; Y213-F242 HydrophobicContact CE2-CD2 3.88Å; Y213-F242 AromaticContact CE2-CE2 3.89Å; Y213-F242 HydrophobicContact CE2-CE2 3.89Å; Y213-F242 HydrophobicContact CE2-CG 4.44Å; Y213-F242 HydrophobicContact CE2-CZ 4.44Å
214S86.6Confident81.4Confident36 Ų3650.7 Ų50.725%0.25229%0.288SS..Hα-helixtrans-62.1-37175.675.10000112.5A210 E211 F212 I217 N218A210-S214 WeakPolarHBondContact O-CB 3.48Å; A210-S214 PolarHBondContact O-N 2.86Å; A210-S214 PolarHBondContact O-OG 3.3Å; E211-S214 WeakPolarHBondContact CA-OG 3.33Å; E211-S214 PolarHBondContact O-N 2.94Å; E211-S214 PolarHBondContact O-OG 3.31Å; F212-S214 PolarHBondContact O-N 3.02Å; S214-I217 PolarHBondContact O-N 2.97Å; S214-N218 WeakPolarHBondContact O-CB 3.21Å; S214-N218 PolarHBondContact O-N 3.23Å
215S86.8Confident82.5Confident38 Ų3845.1 Ų45.127%0.26627%0.267SS..Hα-helixtrans-66.5-42.3175.7-62.10000111.3E211 F212 Y213 N218 I219E211-S215 WeakPolarHBondContact O-CB 3.42Å; E211-S215 PolarHBondContact O-N 3.37Å; E211-S215 PolarHBondContact O-OG 2.76Å; F212-S215 WeakPolarHBondContact O-CB 3.45Å; F212-S215 PolarHBondContact O-N 3.23Å; Y213-S215 VanDerWaalsContact C-N 3.29Å; Y213-S215 PolarHBondContact O-N 3.26Å; S215-N218 PolarHBondContact O-N 3.03Å; S215-I219 WeakPolarHBondContact O-CB 3.45Å; S215-I219 WeakPolarHBondContact O-CG1 3.26Å; S215-I219 PolarHBondContact O-N 3.25Å
216Y87.4Confident83.8Confident0 Ų046.9 Ų46.90%028%0.281CS..Hα-helixtrans-59.6-47.9173.1167.6-112.4000112.3F212 Y213 N218 I219 L220 A238 N241 F242 F245 I266F212-Y216 PolarHBondContact O-N 3.09Å; Y213-Y216 HydrophobicContact CD2-CD1 4.17Å; Y213-Y216 HydrophobicContact CE2-CD1 4Å; Y213-Y216 HydrophobicContact CE2-CE1 4.32Å; Y213-Y216 WeakPolarHBondContact O-CB 3.47Å; Y213-Y216 PolarHBondContact O-N 3.14Å; Y216-N218 VanDerWaalsContact C-N 3.33Å; Y216-N218 PolarHBondContact O-N 2.91Å; Y216-I219 VanDerWaalsContact O-CB 3.27Å; Y216-I219 WeakPolarHBondContact O-CB 3.25Å; Y216-I219 PolarHBondContact O-N 2.9Å; Y216-L220 HydrophobicContact CE1-CD1 4.31Å; Y216-L220 WeakPolarHBondContact O-CB 3.42Å; Y216-L220 PolarHBondContact O-N 2.92Å; Y216-A238 HydrophobicContact CE1-CB 4.31Å; Y216-A238 WeakPolarHBondContact CE1-O 3.3Å; Y216-A238 PolarHBondContact OH-O 3.45Å; Y216-N241 VanDerWaalsContact OH-C 3.22Å; Y216-N241 VanDerWaalsContact OH-CB 3.32Å; Y216-N241 WeakPolarHBondContact OH-CB 3.45Å; Y216-F242 AromaticContact CD1-CD2 3.85Å; Y216-F242 HydrophobicContact CD1-CD2 3.85Å; Y216-F242 HydrophobicContact CD1-CE2 4.44Å; Y216-F242 HydrophobicContact CE1-CB 4.2Å; Y216-F242 AromaticContact CE1-CD2 3.82Å; Y216-F242 HydrophobicContact CE1-CD2 3.82Å; Y216-F242 HydrophobicContact CE1-CG 4.48Å; Y216-F242 HydrophobicContact CG-CD2 4.37Å; Y216-F242 PolarHBondContact OH-N 3Å; Y216-F245 HydrophobicContact CD2-CB 3.9Å; Y216-F245 AromaticContact CD2-CD1 3.68Å; Y216-F245 HydrophobicContact CD2-CD1 3.68Å; Y216-F245 AromaticContact CD2-CD2 3.68Å; Y216-F245 HydrophobicContact CD2-CD2 3.68Å; Y216-F245 HydrophobicContact CD2-CE1 4.08Å; Y216-F245 HydrophobicContact CD2-CE2 4.07Å; Y216-F245 AromaticContact CD2-CG 3.46Å; Y216-F245 HydrophobicContact CD2-CG 3.46Å; Y216-F245 VanDerWaalsContact CD2-CG 3.46Å; Y216-F245 HydrophobicContact CD2-CZ 4.26Å; Y216-F245 HydrophobicContact CE2-CB 3.86Å; Y216-F245 HydrophobicContact CE2-CD1 4.48Å; Y216-F245 HydrophobicContact CE2-CD2 4.24Å; Y216-F245 AromaticContact CE2-CG 3.95Å; Y216-F245 HydrophobicContact CE2-CG 3.95Å; Y216-F245 AromaticContact CG-CD1 3.97Å; Y216-F245 HydrophobicContact CG-CD1 3.97Å; Y216-F245 HydrophobicContact CG-CE1 4.17Å; Y216-F245 HydrophobicContact CG-CG 4.22Å; Y216-I266 HydrophobicContact CE2-CD1 4.04Å
217I89.3Confident84.9Confident0 Ų044.6 Ų44.60%026%0.264CS..Hα-helixtrans-63.8-38.7178.2-66-57.1000111.3L197 L200 Y213 S214 I219 L220 L221 A238L197-I217 HydrophobicContact CG-CG2 4.32Å; L200-I217 HydrophobicContact CB-CD1 4.18Å; L200-I217 HydrophobicContact CB-CG1 4.31Å; L200-I217 HydrophobicContact CB-CG2 3.8Å; L200-I217 HydrophobicContact CD1-CG2 4.03Å; Y213-I217 HydrophobicContact CD1-CG1 4.01Å; Y213-I217 HydrophobicContact CE1-CD1 4Å; Y213-I217 HydrophobicContact CE1-CG1 3.67Å; Y213-I217 WeakPolarHBondContact O-CG1 3.33Å; Y213-I217 PolarHBondContact O-N 3.33Å; S214-I217 PolarHBondContact O-N 2.97Å; I217-I219 VanDerWaalsContact C-N 3.32Å; I217-I219 PolarHBondContact O-N 3.27Å; I217-L220 PolarHBondContact O-N 3.21Å; I217-L221 HydrophobicContact CG2-CD1 3.81Å; I217-L221 HydrophobicContact CG2-CG 4.16Å; I217-L221 WeakPolarHBondContact O-CB 3.41Å; I217-L221 VanDerWaalsContact O-CG 3.28Å; I217-L221 WeakPolarHBondContact O-CG 3.42Å; I217-L221 PolarHBondContact O-N 2.7Å; I217-A238 HydrophobicContact CD1-CB 3.77Å
218N90.4Very high85.9Confident76 Ų7640.1 Ų40.141%0.40623%0.233SC..Hα-helixtrans-63.1-40175.3-172.829.8000112.3K193 L197 S214 S215 Y216 G222K193-N218 PolarHBondContact NZ-OD1 3.21Å; L197-N218 HydrophobicContact CD1-CB 3.78Å; S214-N218 WeakPolarHBondContact O-CB 3.21Å; S214-N218 PolarHBondContact O-N 3.23Å; S215-N218 PolarHBondContact O-N 3.03Å; Y216-N218 VanDerWaalsContact C-N 3.33Å; Y216-N218 PolarHBondContact O-N 2.91Å; N218-G222 PolarHBondContact O-N 3.06Å
219I88.5Confident86.5Confident23 Ų2343.3 Ų43.312%0.11824%0.244CC..Hα-helixtrans-59.2-50.9172.8-86.3170.2000110.5S215 Y216 I217 G222 V223 F245 W263 I266 L270S215-I219 WeakPolarHBondContact O-CB 3.45Å; S215-I219 WeakPolarHBondContact O-CG1 3.26Å; S215-I219 PolarHBondContact O-N 3.25Å; Y216-I219 VanDerWaalsContact O-CB 3.27Å; Y216-I219 WeakPolarHBondContact O-CB 3.25Å; Y216-I219 PolarHBondContact O-N 2.9Å; I217-I219 VanDerWaalsContact C-N 3.32Å; I217-I219 PolarHBondContact O-N 3.27Å; I219-G222 WeakPolarHBondContact O-CA 3.35Å; I219-G222 PolarHBondContact O-N 2.89Å; I219-G222 VanDerWaalsContact O-N 3.13Å; I219-V223 PolarHBondContact O-N 3.16Å; I219-F245 HydrophobicContact CD1-CE2 4.37Å; I219-W263 HydrophobicContact CB-CE3 3.83Å; I219-W263 HydrophobicContact CB-CZ3 4.02Å; I219-W263 HydrophobicContact CD1-CB 4.02Å; I219-W263 HydrophobicContact CD1-CE3 4.1Å; I219-W263 HydrophobicContact CG1-CD2 4.41Å; I219-W263 HydrophobicContact CG1-CE3 3.57Å; I219-W263 HydrophobicContact CG1-CZ3 4.16Å; I219-W263 HydrophobicContact CG2-CE3 3.39Å; I219-W263 HydrophobicContact CG2-CZ3 3.57Å; I219-I266 HydrophobicContact CG2-CG2 4.26Å; I219-L270 HydrophobicContact CG2-CD1 4.13Å
220L89.5Confident87Confident0 Ų041.7 Ų41.70%023%0.232CC..Hα-helixtrans-61.3-51.1179.5-172.9152.5000111Y216 I217 G222 V223 F224 L234 A238Y216-L220 HydrophobicContact CE1-CD1 4.31Å; Y216-L220 WeakPolarHBondContact O-CB 3.42Å; Y216-L220 PolarHBondContact O-N 2.92Å; I217-L220 PolarHBondContact O-N 3.21Å; L220-G222 PolarHBondContact O-N 2.97Å; L220-V223 PolarHBondContact O-N 3.44Å; L220-F224 HydrophobicContact CD2-CD2 3.84Å; L220-F224 HydrophobicContact CG-CD2 3.72Å; L220-F224 HydrophobicContact CG-CE2 4.03Å; L220-F224 VanDerWaalsContact O-CD2 3.29Å; L220-F224 WeakPolarHBondContact O-CD2 3.38Å; L220-F224 PolarHBondContact O-N 2.95Å; L220-L234 HydrophobicContact CD2-CD2 3.94Å; L220-A238 VanDerWaalsContact CD1-CA 3.45Å; L220-A238 HydrophobicContact CD1-CB 3.78Å
221L89.9Confident87.5Confident1 Ų140.8 Ų40.81%0.00522%0.22CC..Hα-helixtrans-61.1-30.4176-68.2174.8000111.8K193 L196 L197 L200 I217 V223 Y225 L234K193-L221 HydrophobicContact CG-CB 4.35Å; K193-L221 HydrophobicContact CG-CD1 4.37Å; L196-L221 HydrophobicContact CB-CD1 4.11Å; L196-L221 HydrophobicContact CB-CD2 4.23Å; L196-L221 HydrophobicContact CD1-CD2 4.29Å; L197-L221 HydrophobicContact CB-CD1 3.84Å; L200-L221 HydrophobicContact CD1-CD2 4.09Å; L200-L221 HydrophobicContact CD1-CG 4.48Å; I217-L221 HydrophobicContact CG2-CD1 3.81Å; I217-L221 HydrophobicContact CG2-CG 4.16Å; I217-L221 WeakPolarHBondContact O-CB 3.41Å; I217-L221 VanDerWaalsContact O-CG 3.28Å; I217-L221 WeakPolarHBondContact O-CG 3.42Å; I217-L221 PolarHBondContact O-N 2.7Å; L221-V223 VanDerWaalsContact C-N 3.29Å; L221-V223 PolarHBondContact O-N 2.93Å; L221-Y225 WeakPolarHBondContact O-CB 3.3Å; L221-Y225 PolarHBondContact O-N 3.33Å; L221-Y225 VanDerWaalsContact O-N 3.11Å; L221-L234 HydrophobicContact CD2-CD1 3.85Å; L221-L234 HydrophobicContact CD2-CD2 4.4Å
222G89.1Confident87.7Confident43 Ų4339.3 Ų39.344%0.44321%0.208SC..Hα-helixtrans-58.6-38173.200000113.6N218 I219 L220N218-G222 PolarHBondContact O-N 3.06Å; I219-G222 WeakPolarHBondContact O-CA 3.35Å; I219-G222 PolarHBondContact O-N 2.89Å; I219-G222 VanDerWaalsContact O-N 3.13Å; L220-G222 PolarHBondContact O-N 2.97Å
223V87.9Confident87.9Confident15 Ų1540.1 Ų40.19%0.09121%0.212CC..Hα-helixtrans-85-53.8178.5-176.90000111I219 L220 L221 T226 W263 L270 M274I219-V223 PolarHBondContact O-N 3.16Å; L220-V223 PolarHBondContact O-N 3.44Å; L221-V223 VanDerWaalsContact C-N 3.29Å; L221-V223 PolarHBondContact O-N 2.93Å; V223-T226 PolarHBondContact O-OG1 3.49Å; V223-W263 HydrophobicContact CG2-CH2 3.39Å; V223-W263 HydrophobicContact CG2-CZ3 3.74Å; V223-L270 HydrophobicContact CG1-CB 4.34Å; V223-L270 HydrophobicContact CG2-CB 4.37Å; V223-L270 HydrophobicContact CG2-CD1 4.17Å; V223-M274 HydrophobicContact CG1-SD 4.05Å
224F87.8Confident88.1Confident0 Ų039 Ų390%021%0.208CC..Hα-helixtrans-85-22.1-165.5-67.5-83000114.5L220 T226 V227 C228 L234 L237 L270 A273 M274 V277L220-F224 HydrophobicContact CD2-CD2 3.84Å; L220-F224 HydrophobicContact CG-CD2 3.72Å; L220-F224 HydrophobicContact CG-CE2 4.03Å; L220-F224 VanDerWaalsContact O-CD2 3.29Å; L220-F224 WeakPolarHBondContact O-CD2 3.38Å; L220-F224 PolarHBondContact O-N 2.95Å; F224-T226 PolarHBondContact O-N 2.92Å; F224-V227 PolarHBondContact O-N 3.38Å; F224-C228 PolarHBondContact O-N 3.07Å; F224-L234 HydrophobicContact CB-CD2 3.74Å; F224-L237 HydrophobicContact CD1-CD1 3.83Å; F224-L237 HydrophobicContact CE1-CD1 3.87Å; F224-L237 HydrophobicContact CG-CD1 4.28Å; F224-L237 HydrophobicContact CZ-CD1 4.38Å; F224-L270 HydrophobicContact CE2-CB 3.98Å; F224-L270 HydrophobicContact CE2-CD1 4.32Å; F224-L270 HydrophobicContact CE2-CD2 3.97Å; F224-L270 HydrophobicContact CE2-CG 4.27Å; F224-L270 HydrophobicContact CZ-CB 4.15Å; F224-L270 HydrophobicContact CZ-CD2 4.33Å; F224-A273 HydrophobicContact CZ-CB 4.26Å; F224-M274 HydrophobicContact CD1-CB 4.37Å; F224-M274 HydrophobicContact CD1-CG 4.32Å; F224-M274 HydrophobicContact CE1-CB 3.9Å; F224-M274 HydrophobicContact CE1-CG 4.34Å; F224-V277 HydrophobicContact CD1-CG2 3.89Å; F224-V277 HydrophobicContact CE1-CG2 3.6Å
225Y88.6Confident88.1Confident55 Ų5542.5 Ų42.522%0.21622%0.22CC..THydrogen-bonded Turntrans-61.1-23.5-173.6-175.6-101.9000114.2K193 L196 L221 R229K193-Y225 HydrophobicContact CB-CD2 4.4Å; K193-Y225 HydrophobicContact CB-CE1 4.45Å; K193-Y225 HydrophobicContact CB-CE2 4.12Å; L196-Y225 HydrophobicContact CD1-CD2 3.94Å; L196-Y225 HydrophobicContact CD1-CE2 3.82Å; L221-Y225 WeakPolarHBondContact O-CB 3.3Å; L221-Y225 PolarHBondContact O-N 3.33Å; L221-Y225 VanDerWaalsContact O-N 3.11Å; Y225-R229 HydrophobicContact CD2-CG 4.43Å; Y225-R229 HydrophobicContact CE2-CG 4.31Å
226T87.7Confident88.1Confident117 Ų11744.6 Ų44.672%0.71823%0.225SC*.THydrogen-bonded Turntrans-73.4-28.717658.70000113V223 F224V223-T226 PolarHBondContact O-OG1 3.49Å; F224-T226 PolarHBondContact O-N 2.92Å
227V86.1Confident87.9Confident79 Ų7945 Ų4548%0.47923%0.227SC..THydrogen-bonded Turntrans-106.8-40.6-174.6-177.80000111.8F224 M274F224-V227 PolarHBondContact O-N 3.38Å; V227-M274 HydrophobicContact CG2-CG 4.15Å; V227-M274 HydrophobicContact CG2-SD 3.89Å
228C85.7Confident87.8Confident1 Ų145 Ų451%0.00723%0.227CC..  trans-127.3124.1-174.7-174.80000110.6F224 L234 Y278F224-C228 PolarHBondContact O-N 3.07Å; C228-L234 HydrophobicContact CB-CD2 4.44Å; C228-Y278 PolarHBondContact SG-OH 3.48Å
229R86.6Confident87.5Confident141 Ų14144.7 Ų44.753%0.53224%0.236SC..  trans-115.67.7172.2-62.3-177.4179.6179.60.1112.7Y225 L231Y225-R229 HydrophobicContact CD2-CG 4.43Å; Y225-R229 HydrophobicContact CE2-CG 4.31Å; R229-L231 PolarHBondContact O-N 2.83Å
230D89.4Confident87.3Confident19 Ų1944.7 Ų44.710%0.10224%0.236CC..  trans-78.9117.4177-168.6-27.5000109.4A54 R232 E233 L234A54-D230 HydrophobicContact CB-CB 3.96Å; A54-D230 WeakPolarHBondContact CB-OD1 3.47Å; D230-R232 PolarHBondContact O-N 2.76Å; D230-R232 PolarHBondContact OD1-N 2.97Å; D230-R232 IonicContact OD1-NE 3.9Å; D230-R232 PolarHBondContact OD1-NE 3.12Å; D230-R232 IonicContact OD1-NH2 3.73Å; D230-R232 IonicContact OD2-NE 3.69Å; D230-R232 IonicContact OD2-NH2 2.74Å; D230-R232 PolarHBondContact OD2-NH2 3Å; D230-R232 VanDerWaalsContact OD2-NH2 3.15Å; D230-E233 HydrophobicContact CB-CB 4.24Å; D230-E233 HydrophobicContact CB-CG 4.24Å; D230-E233 PolarHBondContact O-N 3.38Å; D230-L234 WeakPolarHBondContact O-CB 3.39Å; D230-L234 VanDerWaalsContact O-CG 3.28Å; D230-L234 WeakPolarHBondContact O-CG 3.48Å; D230-L234 PolarHBondContact O-N 3.47Å
231L88.9Confident87Confident29 Ų2944.7 Ų44.715%0.15224%0.236CC..Hα-helixtrans-54.4-39.9178.7177.365.3000112.3Y191 L196 I199 L200 R229 L234 Q235Y191-L231 HydrophobicContact CE2-CD2 4.44Å; L196-L231 HydrophobicContact CD2-CB 4.32Å; L196-L231 HydrophobicContact CD2-CD1 3.84Å; I199-L231 HydrophobicContact CB-CD1 4.37Å; I199-L231 HydrophobicContact CG2-CD1 3.8Å; I199-L231 HydrophobicContact CG2-CD2 3.9Å; I199-L231 HydrophobicContact CG2-CG 4.48Å; L200-L231 HydrophobicContact CD2-CD1 3.81Å; L200-L231 HydrophobicContact CG-CD1 3.99Å; R229-L231 PolarHBondContact O-N 2.83Å; L231-L234 PolarHBondContact O-N 2.87Å; L231-Q235 VanDerWaalsContact O-CB 3.31Å; L231-Q235 WeakPolarHBondContact O-CB 2.92Å; L231-Q235 PolarHBondContact O-N 2.84Å
232R87.6Confident86.8Confident119 Ų11945.3 Ų45.345%0.44924%0.239SC..Hα-helixtrans-71.2-41.7-175.6-65.3172.2-62.8178.96.5111.7R53 D230 Q235 H236R53-R232 VanDerWaalsContact CD-NH2 3.34Å; R53-R232 VanDerWaalsContact CG-NH2 3.33Å; R53-R232 VanDerWaalsContact NE-NH2 3.13Å; D230-R232 PolarHBondContact O-N 2.76Å; D230-R232 PolarHBondContact OD1-N 2.97Å; D230-R232 IonicContact OD1-NE 3.9Å; D230-R232 PolarHBondContact OD1-NE 3.12Å; D230-R232 IonicContact OD1-NH2 3.73Å; D230-R232 IonicContact OD2-NE 3.69Å; D230-R232 IonicContact OD2-NH2 2.74Å; D230-R232 PolarHBondContact OD2-NH2 3Å; D230-R232 VanDerWaalsContact OD2-NH2 3.15Å; R232-Q235 PolarHBondContact O-N 3.34Å; R232-H236 WeakPolarHBondContact O-CB 3.11Å; R232-H236 PolarHBondContact O-N 2.86Å
233E87.3Confident86.4Confident27 Ų2746 Ų4613%0.12624%0.237CC..Hα-helixtrans-68.9-40.2176.5-66.6-63160.800110.5D230 Q235 H236 L237 Y278 R280D230-E233 HydrophobicContact CB-CB 4.24Å; D230-E233 HydrophobicContact CB-CG 4.24Å; D230-E233 PolarHBondContact O-N 3.38Å; E233-Q235 VanDerWaalsContact C-N 3.32Å; E233-Q235 PolarHBondContact O-N 3.28Å; E233-H236 PolarHBondContact O-N 3.43Å; E233-L237 WeakPolarHBondContact O-CB 3.26Å; E233-L237 VanDerWaalsContact O-CG 3.24Å; E233-L237 WeakPolarHBondContact O-CG 3.35Å; E233-L237 PolarHBondContact O-N 3.45Å; E233-Y278 HydrophobicContact CG-CE1 4.1Å; E233-R280 IonicContact OE1-NH2 3.49Å; E233-R280 PolarHBondContact OE1-NH2 3.47Å
234L88.4Confident86.1Confident0 Ų047.6 Ų47.60%024%0.242CC..Hα-helixtrans-62.1-39.2173.1-70.1171.6000112.2L196 L200 L220 L221 F224 C228 D230 L231 A238L196-L234 HydrophobicContact CD1-CD1 4Å; L200-L234 HydrophobicContact CD1-CB 4.15Å; L220-L234 HydrophobicContact CD2-CD2 3.94Å; L221-L234 HydrophobicContact CD2-CD1 3.85Å; L221-L234 HydrophobicContact CD2-CD2 4.4Å; F224-L234 HydrophobicContact CB-CD2 3.74Å; C228-L234 HydrophobicContact CB-CD2 4.44Å; D230-L234 WeakPolarHBondContact O-CB 3.39Å; D230-L234 VanDerWaalsContact O-CG 3.28Å; D230-L234 WeakPolarHBondContact O-CG 3.48Å; D230-L234 PolarHBondContact O-N 3.47Å; L231-L234 PolarHBondContact O-N 2.87Å; L234-A238 WeakPolarHBondContact O-CB 3.48Å; L234-A238 PolarHBondContact O-N 2.89Å
235Q87.9Confident85.8Confident110 Ų11047.9 Ų47.951%0.51424%0.243SC..Hα-helixtrans-65.2-43.7175.4-173.3179.310.200111.6L200 L231 R232 E233 A238 A239L200-Q235 HydrophobicContact CD2-CB 3.85Å; L200-Q235 HydrophobicContact CD2-CG 4.38Å; L231-Q235 VanDerWaalsContact O-CB 3.31Å; L231-Q235 WeakPolarHBondContact O-CB 2.92Å; L231-Q235 PolarHBondContact O-N 2.84Å; R232-Q235 PolarHBondContact O-N 3.34Å; E233-Q235 VanDerWaalsContact C-N 3.32Å; E233-Q235 PolarHBondContact O-N 3.28Å; Q235-A238 PolarHBondContact O-N 3.2Å; Q235-A239 PolarHBondContact O-N 3.23Å
236H85.3Confident85.5Confident81 Ų8145.6 Ų45.638%0.37524%0.236SC..Hα-helixtrans-62.1-48.3175.5175.6-100.7000111.6R232 E233 A238 A239 L240R232-H236 WeakPolarHBondContact O-CB 3.11Å; R232-H236 PolarHBondContact O-N 2.86Å; E233-H236 PolarHBondContact O-N 3.43Å; H236-A238 VanDerWaalsContact C-N 3.28Å; H236-A238 PolarHBondContact O-N 3.13Å; H236-A239 PolarHBondContact O-N 3.33Å; H236-L240 VanDerWaalsContact O-CB 3.3Å; H236-L240 WeakPolarHBondContact O-CB 3.46Å; H236-L240 PolarHBondContact O-N 3.48Å
237L84.5Confident85.4Confident8 Ų843.1 Ų43.14%0.04222%0.216CC..Hα-helixtrans-62.5-36.2175.7-68.9173.6000112.4F224 E233 N241 V277F224-L237 HydrophobicContact CD1-CD1 3.83Å; F224-L237 HydrophobicContact CE1-CD1 3.87Å; F224-L237 HydrophobicContact CG-CD1 4.28Å; F224-L237 HydrophobicContact CZ-CD1 4.38Å; E233-L237 WeakPolarHBondContact O-CB 3.26Å; E233-L237 VanDerWaalsContact O-CG 3.24Å; E233-L237 WeakPolarHBondContact O-CG 3.35Å; E233-L237 PolarHBondContact O-N 3.45Å; L237-N241 WeakPolarHBondContact O-CB 3.36Å; L237-N241 PolarHBondContact O-N 3.22Å; L237-N241 PolarHBondContact O-ND2 3.29Å; L237-V277 HydrophobicContact CD1-CG1 3.82Å; L237-V277 HydrophobicContact CD1-CG2 4.03Å; L237-V277 HydrophobicContact CD2-CG2 4.44Å
238A86.5Confident85.2Confident0 Ų039.8 Ų39.80%020%0.196CC..Hα-helixtrans-65.1-46.3176.900000111.1Y216 I217 L220 L234 Q235 H236 F242Y216-A238 HydrophobicContact CE1-CB 4.31Å; Y216-A238 WeakPolarHBondContact CE1-O 3.3Å; Y216-A238 PolarHBondContact OH-O 3.45Å; I217-A238 HydrophobicContact CD1-CB 3.77Å; L220-A238 VanDerWaalsContact CD1-CA 3.45Å; L220-A238 HydrophobicContact CD1-CB 3.78Å; L234-A238 WeakPolarHBondContact O-CB 3.48Å; L234-A238 PolarHBondContact O-N 2.89Å; Q235-A238 PolarHBondContact O-N 3.2Å; H236-A238 VanDerWaalsContact C-N 3.28Å; H236-A238 PolarHBondContact O-N 3.13Å; A238-F242 VanDerWaalsContact O-CB 3.28Å; A238-F242 WeakPolarHBondContact O-CB 3.34Å; A238-F242 PolarHBondContact O-N 3.26Å
239A85Confident85Confident70 Ų7040.9 Ų40.958%0.57920%0.202SC*.Hα-helixtrans-61.5-45176.100000111.7Q235 H236 F242Q235-A239 PolarHBondContact O-N 3.23Å; H236-A239 PolarHBondContact O-N 3.33Å; A239-F242 PolarHBondContact O-N 3.37Å
240L82.8Confident84.8Confident23 Ų2338 Ų3812%0.1221%0.209CC..Hα-helixtrans-66.9-43.7-175.5-169.669.6000113.4H236 F242 S243 W287H236-L240 VanDerWaalsContact O-CB 3.3Å; H236-L240 WeakPolarHBondContact O-CB 3.46Å; H236-L240 PolarHBondContact O-N 3.48Å; L240-F242 VanDerWaalsContact C-N 3.31Å; L240-S243 PolarHBondContact O-OG 3.2Å; L240-W287 HydrophobicContact CB-CZ3 4.49Å; L240-W287 HydrophobicContact CD1-CB 4.08Å; L240-W287 HydrophobicContact CD1-CD2 4.33Å; L240-W287 HydrophobicContact CD1-CE3 3.71Å; L240-W287 HydrophobicContact CD1-CZ3 4.42Å; L240-W287 HydrophobicContact CD2-CD2 3.64Å; L240-W287 HydrophobicContact CD2-CE3 3.2Å; L240-W287 HydrophobicContact CD2-CG 4.3Å; L240-W287 HydrophobicContact CD2-CH2 4Å; L240-W287 HydrophobicContact CD2-CZ2 4.43Å; L240-W287 HydrophobicContact CD2-CZ3 3.38Å; L240-W287 HydrophobicContact CG-CD2 4.07Å; L240-W287 HydrophobicContact CG-CE3 3.21Å; L240-W287 HydrophobicContact CG-CH2 4.49Å; L240-W287 HydrophobicContact CG-CZ3 3.45Å; L240-W287 VanDerWaalsContact CG-CZ3 3.45Å
241N84.4Confident84.4Confident0 Ų042 Ų420%023%0.227CC..Hα-helixtrans-85.9-3.2-178.3-65.9-71.2000113.2Y216 L237 F245 H269 L270 W287Y216-N241 VanDerWaalsContact OH-C 3.22Å; Y216-N241 VanDerWaalsContact OH-CB 3.32Å; Y216-N241 WeakPolarHBondContact OH-CB 3.45Å; L237-N241 WeakPolarHBondContact O-CB 3.36Å; L237-N241 PolarHBondContact O-N 3.22Å; L237-N241 PolarHBondContact O-ND2 3.29Å; N241-F245 PolarHBondContact O-N 3.49Å; N241-F245 VanDerWaalsContact O-N 3.13Å; N241-H269 PolarHBondContact OD1-CE1 2.94Å; N241-H269 VanDerWaalsContact OD1-CE1 3.31Å; N241-H269 PolarHBondContact OD1-ND1 2.86Å; N241-L270 HydrophobicContact CB-CD2 3.89Å; N241-W287 WeakPolarHBondContact OD1-CH2 3.11Å; N241-W287 WeakPolarHBondContact OD1-CZ3 3.48Å
242F84.4Confident83.8Confident15 Ų1543.6 Ų43.67%0.06625%0.25CS..Hα-helixtrans-71.6-34.1-176.6-174.9-112000112.3N205 Y208 F212 Y213 Y216 A238 A239 L240 K244 F245 C246N205-F242 HydrophobicContact CB-CE1 4.14Å; N205-F242 WeakPolarHBondContact ND2-CD1 3.32Å; N205-F242 VanDerWaalsContact ND2-CE1 3.34Å; N205-F242 WeakPolarHBondContact ND2-CE1 3.26Å; Y208-F242 HydrophobicContact CD2-CE1 4Å; Y208-F242 AromaticContact CD2-CZ 3.66Å; Y208-F242 HydrophobicContact CD2-CZ 3.66Å; Y208-F242 HydrophobicContact CE2-CE1 4.11Å; Y208-F242 HydrophobicContact CE2-CZ 4.09Å; Y208-F242 HydrophobicContact CG-CZ 4.4Å; F212-F242 HydrophobicContact CE1-CE2 4.43Å; Y213-F242 AromaticContact CD2-CD2 3.99Å; Y213-F242 HydrophobicContact CD2-CD2 3.99Å; Y213-F242 AromaticContact CD2-CE2 3.54Å; Y213-F242 HydrophobicContact CD2-CE2 3.54Å; Y213-F242 HydrophobicContact CD2-CZ 4.06Å; Y213-F242 AromaticContact CE2-CD2 3.88Å; Y213-F242 HydrophobicContact CE2-CD2 3.88Å; Y213-F242 AromaticContact CE2-CE2 3.89Å; Y213-F242 HydrophobicContact CE2-CE2 3.89Å; Y213-F242 HydrophobicContact CE2-CG 4.44Å; Y213-F242 HydrophobicContact CE2-CZ 4.44Å; Y216-F242 AromaticContact CD1-CD2 3.85Å; Y216-F242 HydrophobicContact CD1-CD2 3.85Å; Y216-F242 HydrophobicContact CD1-CE2 4.44Å; Y216-F242 HydrophobicContact CE1-CB 4.2Å; Y216-F242 AromaticContact CE1-CD2 3.82Å; Y216-F242 HydrophobicContact CE1-CD2 3.82Å; Y216-F242 HydrophobicContact CE1-CG 4.48Å; Y216-F242 HydrophobicContact CG-CD2 4.37Å; Y216-F242 PolarHBondContact OH-N 3Å; A238-F242 VanDerWaalsContact O-CB 3.28Å; A238-F242 WeakPolarHBondContact O-CB 3.34Å; A238-F242 PolarHBondContact O-N 3.26Å; A239-F242 PolarHBondContact O-N 3.37Å; L240-F242 VanDerWaalsContact C-N 3.31Å; F242-K244 PolarHBondContact O-N 3.48Å; F242-F245 PolarHBondContact O-N 3.45Å; F242-C246 WeakPolarHBondContact CZ-SG 3.43Å; F242-C246 PolarHBondContact O-N 3.21Å; F242-C246 VanDerWaalsContact O-N 3.15Å; F242-C246 PolarHBondContact O-SG 3.15Å
243S81.6Confident83.2Confident58 Ų5844.8 Ų44.841%0.40626%0.259SS..Hα-helixtrans-54.3-53.6173.1520000110.6L240 F245 C246 E247 D291L240-S243 PolarHBondContact O-OG 3.2Å; S243-F245 VanDerWaalsContact C-N 3.32Å; S243-F245 PolarHBondContact O-N 3Å; S243-C246 PolarHBondContact O-N 3.13Å; S243-C246 VanDerWaalsContact O-N 3.12Å; S243-E247 PolarHBondContact O-N 2.96Å; S243-D291 PolarHBondContact OG-OD2 3.42Å
244K80.8Confident82.8Confident48 Ų4844.5 Ų44.521%0.20926%0.259CS..Hα-helixtrans-68.1-29.2-178.3-157.169.6-178.81660113.5F242 C246 E247F242-K244 PolarHBondContact O-N 3.48Å; K244-C246 VanDerWaalsContact C-N 3.32Å; K244-E247 VanDerWaalsContact CD-OE2 3.25Å; K244-E247 WeakPolarHBondContact CD-OE2 3.37Å; K244-E247 WeakPolarHBondContact CE-OE2 3.39Å; K244-E247 VanDerWaalsContact NZ-CD 3.26Å; K244-E247 IonicContact NZ-OE1 3.43Å; K244-E247 PolarHBondContact NZ-OE1 3.15Å; K244-E247 IonicContact NZ-OE2 3.15Å; K244-E247 PolarHBondContact NZ-OE2 2.99Å
245F82.6Confident82.2Confident5 Ų551.9 Ų51.92%0.02229%0.291CS..Hα-helixtrans-66.3-36172.7-170.7-110.3000112.4F212 Y216 I219 N241 F242 S243 P248 L262 I266F212-F245 HydrophobicContact CD1-CE1 4.28Å; F212-F245 HydrophobicContact CD2-CE1 4.33Å; F212-F245 AromaticContact CE1-CD1 3.75Å; F212-F245 HydrophobicContact CE1-CD1 3.75Å; F212-F245 AromaticContact CE1-CE1 3.55Å; F212-F245 HydrophobicContact CE1-CE1 3.55Å; F212-F245 HydrophobicContact CE2-CD1 4.45Å; F212-F245 AromaticContact CE2-CE1 3.62Å; F212-F245 HydrophobicContact CE2-CE1 3.62Å; F212-F245 HydrophobicContact CE2-CZ 4.25Å; F212-F245 AromaticContact CZ-CD1 3.59Å; F212-F245 HydrophobicContact CZ-CD1 3.59Å; F212-F245 AromaticContact CZ-CE1 3.18Å; F212-F245 HydrophobicContact CZ-CE1 3.18Å; F212-F245 HydrophobicContact CZ-CZ 4.17Å; Y216-F245 HydrophobicContact CD2-CB 3.9Å; Y216-F245 AromaticContact CD2-CD1 3.68Å; Y216-F245 HydrophobicContact CD2-CD1 3.68Å; Y216-F245 AromaticContact CD2-CD2 3.68Å; Y216-F245 HydrophobicContact CD2-CD2 3.68Å; Y216-F245 HydrophobicContact CD2-CE1 4.08Å; Y216-F245 HydrophobicContact CD2-CE2 4.07Å; Y216-F245 AromaticContact CD2-CG 3.46Å; Y216-F245 HydrophobicContact CD2-CG 3.46Å; Y216-F245 VanDerWaalsContact CD2-CG 3.46Å; Y216-F245 HydrophobicContact CD2-CZ 4.26Å; Y216-F245 HydrophobicContact CE2-CB 3.86Å; Y216-F245 HydrophobicContact CE2-CD1 4.48Å; Y216-F245 HydrophobicContact CE2-CD2 4.24Å; Y216-F245 AromaticContact CE2-CG 3.95Å; Y216-F245 HydrophobicContact CE2-CG 3.95Å; Y216-F245 AromaticContact CG-CD1 3.97Å; Y216-F245 HydrophobicContact CG-CD1 3.97Å; Y216-F245 HydrophobicContact CG-CE1 4.17Å; Y216-F245 HydrophobicContact CG-CG 4.22Å; I219-F245 HydrophobicContact CD1-CE2 4.37Å; N241-F245 PolarHBondContact O-N 3.49Å; N241-F245 VanDerWaalsContact O-N 3.13Å; F242-F245 PolarHBondContact O-N 3.45Å; S243-F245 VanDerWaalsContact C-N 3.32Å; S243-F245 PolarHBondContact O-N 3Å; F245-P248 WeakPolarHBondContact O-CD 3.37Å; F245-L262 HydrophobicContact CD2-CB 4.49Å; F245-L262 HydrophobicContact CE1-CD1 4.4Å; F245-L262 HydrophobicContact CE2-CB 3.65Å; F245-L262 HydrophobicContact CE2-CD1 4.47Å; F245-L262 HydrophobicContact CZ-CB 3.91Å; F245-L262 HydrophobicContact CZ-CD1 3.92Å; F245-L262 HydrophobicContact CZ-CG 4.48Å; F245-I266 HydrophobicContact CB-CD1 3.65Å; F245-I266 HydrophobicContact CD2-CB 4.34Å; F245-I266 HydrophobicContact CD2-CD1 3.72Å; F245-I266 HydrophobicContact CD2-CG2 4.1Å; F245-I266 HydrophobicContact CE2-CG2 4.41Å; F245-I266 HydrophobicContact CG-CD1 4.14Å
246C82.3Confident81.5Confident8 Ų851 Ų515%0.05429%0.287CS..Hα-helixtrans-81.7-21.4-176.8-64.30000113.8Y208 F242 S243 K244 V249 A250Y208-C246 HydrophobicContact CE2-CB 4.37Å; F242-C246 WeakPolarHBondContact CZ-SG 3.43Å; F242-C246 PolarHBondContact O-N 3.21Å; F242-C246 VanDerWaalsContact O-N 3.15Å; F242-C246 PolarHBondContact O-SG 3.15Å; S243-C246 PolarHBondContact O-N 3.13Å; S243-C246 VanDerWaalsContact O-N 3.12Å; K244-C246 VanDerWaalsContact C-N 3.32Å; C246-V249 WeakPolarHBondContact O-CA 3.37Å; C246-V249 WeakPolarHBondContact O-CB 3.2Å; C246-V249 PolarHBondContact O-N 3.43Å; C246-A250 PolarHBondContact O-N 3.41Å
247E84.4Confident81.1Confident64 Ų6452.8 Ų52.830%0.29930%0.304SS..Hα-helixtrans-52.1-48.4-176.3177-171.2-144.100113.9S243 K244 V249 A250 E251S243-E247 PolarHBondContact O-N 2.96Å; K244-E247 VanDerWaalsContact CD-OE2 3.25Å; K244-E247 WeakPolarHBondContact CD-OE2 3.37Å; K244-E247 WeakPolarHBondContact CE-OE2 3.39Å; K244-E247 VanDerWaalsContact NZ-CD 3.26Å; K244-E247 IonicContact NZ-OE1 3.43Å; K244-E247 PolarHBondContact NZ-OE1 3.15Å; K244-E247 IonicContact NZ-OE2 3.15Å; K244-E247 PolarHBondContact NZ-OE2 2.99Å; E247-V249 PolarHBondContact O-N 2.88Å; E247-A250 PolarHBondContact O-N 3.36Å; E247-E251 VanDerWaalsContact O-CG 3.32Å; E247-E251 WeakPolarHBondContact O-CG 3.25Å; E247-E251 PolarHBondContact O-N 3.37Å
248P82.6Confident80.9Confident9 Ų955.6 Ų55.66%0.05832%0.317CS..Hα-helixtrans-66-23.6178.6-20.633.9000114.4F245 K253 V254 L262 N265F245-P248 WeakPolarHBondContact O-CD 3.37Å; P248-K253 PolarHBondContact O-N 3.32Å; P248-K253 VanDerWaalsContact O-N 3.12Å; P248-V254 HydrophobicContact CB-CG2 4.23Å; P248-V254 PolarHBondContact O-N 3.22Å; P248-L262 HydrophobicContact CB-CD2 4.1Å; P248-L262 HydrophobicContact CG-CD2 4.32Å; P248-N265 WeakPolarHBondContact CG-ND2 3.42Å
249V82.5Confident80.4Confident24 Ų2458.7 Ų58.715%0.14534%0.335CS..Hα-helixtrans-80.7-42.8176.7-177.80000109.6F212 C246 E247 E251 G252 E256 L262F212-V249 HydrophobicContact CE2-CG2 4.16Å; F212-V249 HydrophobicContact CZ-CG2 3.98Å; C246-V249 WeakPolarHBondContact O-CA 3.37Å; C246-V249 WeakPolarHBondContact O-CB 3.2Å; C246-V249 PolarHBondContact O-N 3.43Å; E247-V249 PolarHBondContact O-N 2.88Å; V249-E251 VanDerWaalsContact C-N 3.32Å; V249-E251 PolarHBondContact O-N 3.33Å; V249-G252 PolarHBondContact O-N 2.94Å; V249-E256 HydrophobicContact CG1-CG 4.03Å; V249-L262 HydrophobicContact CG2-CD1 4.33Å; V249-L262 HydrophobicContact CG2-CD2 3.85Å
250A80.8Confident80.1Confident80 Ų8061 Ų6166%0.66133%0.334SS*.Hα-helixtrans-62.9-37175.200000112.3C246 E247 G252C246-A250 PolarHBondContact O-N 3.41Å; E247-A250 PolarHBondContact O-N 3.36Å; A250-G252 PolarHBondContact O-N 3Å
251E81.6Confident80.1Confident103 Ų10365 Ų6548%0.48135%0.35SS..THydrogen-bonded Turntrans-74.1-5.5173.8-67.1-179.8124.400113.7E247 V249 K253E247-E251 VanDerWaalsContact O-CG 3.32Å; E247-E251 WeakPolarHBondContact O-CG 3.25Å; E247-E251 PolarHBondContact O-N 3.37Å; V249-E251 VanDerWaalsContact C-N 3.32Å; V249-E251 PolarHBondContact O-N 3.33Å; E251-K253 HydrophobicContact CB-CD 4.22Å; E251-K253 HydrophobicContact CB-CG 4.09Å; E251-K253 PolarHBondContact O-N 3.47Å; E251-K253 IonicContact OE1-NZ 2.66Å; E251-K253 PolarHBondContact OE1-NZ 3.21Å; E251-K253 WeakPolarHBondContact OE2-CD 3.37Å; E251-K253 WeakPolarHBondContact OE2-CE 3.4Å; E251-K253 IonicContact OE2-NZ 2.75Å; E251-K253 PolarHBondContact OE2-NZ 3.42Å
252G77.2Confident79.9Confident63 Ų6365.1 Ų65.165%0.64935%0.351SS*.THydrogen-bonded Turntrans69.711.6-179.900000114.9V249 A250 V254V249-G252 PolarHBondContact O-N 2.94Å; A250-G252 PolarHBondContact O-N 3Å; G252-V254 VanDerWaalsContact C-N 3.34Å
253K75.3Confident79.8Confident144 Ų14467.4 Ų67.463%0.62636%0.359SS*.SBendtrans-73.7-27.1-179.4-66.4176.5-172.9157.30112.2P248 E251P248-K253 PolarHBondContact O-N 3.32Å; P248-K253 VanDerWaalsContact O-N 3.12Å; E251-K253 HydrophobicContact CB-CD 4.22Å; E251-K253 HydrophobicContact CB-CG 4.09Å; E251-K253 PolarHBondContact O-N 3.47Å; E251-K253 IonicContact OE1-NZ 2.66Å; E251-K253 PolarHBondContact OE1-NZ 3.21Å; E251-K253 WeakPolarHBondContact OE2-CD 3.37Å; E251-K253 WeakPolarHBondContact OE2-CE 3.4Å; E251-K253 IonicContact OE2-NZ 2.75Å; E251-K253 PolarHBondContact OE2-NZ 3.42Å
254V77.3Confident79.9Confident22 Ų2271 Ų7113%0.13337%0.367CS..SBendtrans-138.6138.3-173.1-175.80000109.9P248 G252 E258 K261 L262P248-V254 HydrophobicContact CB-CG2 4.23Å; P248-V254 PolarHBondContact O-N 3.22Å; G252-V254 VanDerWaalsContact C-N 3.34Å; V254-E258 HydrophobicContact CG1-CB 3.66Å; V254-K261 HydrophobicContact CG1-CB 4.19Å; V254-K261 HydrophobicContact CG2-CB 4.43Å; V254-L262 HydrophobicContact CB-CD2 4.25Å; V254-L262 HydrophobicContact CG1-CD2 3.97Å; V254-L262 HydrophobicContact CG1-CG 3.98Å
255K76.9Confident80Confident155 Ų15572.7 Ų72.767%0.67438%0.379SS*.  trans-79.5152.4172.7-66.6-176.4179.7-178.60110.7T257 E258K255-T257 PolarHBondContact O-N 3.2Å; K255-E258 PolarHBondContact O-N 3.45Å
256E73.3Confident80.1Confident91 Ų9172.6 Ų72.643%0.42538%0.379SS..THydrogen-bonded Turntrans-54.3-24.1178.8-61.5-175.317000114F212 V249F212-E256 HydrophobicContact CD2-CB 4.12Å; F212-E256 HydrophobicContact CE2-CB 4.5Å; V249-E256 HydrophobicContact CG1-CG 4.03Å
257T75.4Confident80.2Confident118 Ų11874.7 Ų74.772%0.72439%0.388SS*.THydrogen-bonded Turntrans-82.8-15.5-179.751.90000114.4K255 T259K255-T257 PolarHBondContact O-N 3.2Å; T257-T259 VanDerWaalsContact C-N 3.28Å; T257-T259 PolarHBondContact O-N 3.46Å
258E80.3Confident80.3Confident68 Ų6875.5 Ų75.532%0.31840%0.398SS..  trans-8760.6-176.1-65.5-170.7146.800112.3V254 K255 H260 K261 L262V254-E258 HydrophobicContact CG1-CB 3.66Å; K255-E258 PolarHBondContact O-N 3.45Å; E258-H260 PolarHBondContact O-N 3.44Å; E258-H260 VanDerWaalsContact O-N 3.13Å; E258-K261 PolarHBondContact O-N 3.33Å; E258-K261 VanDerWaalsContact O-N 3.1Å; E258-K261 IonicContact OE1-NZ 2.7Å; E258-K261 PolarHBondContact OE1-NZ 3.26Å; E258-K261 VanDerWaalsContact OE2-CD 3.3Å; E258-K261 WeakPolarHBondContact OE2-CD 3.33Å; E258-K261 WeakPolarHBondContact OE2-CE 3.37Å; E258-K261 IonicContact OE2-NZ 2.91Å; E258-K261 PolarHBondContact OE2-NZ 3.48Å; E258-L262 PolarHBondContact O-N 2.98Å
259T76.4Confident80.3Confident64 Ų6477.4 Ų77.439%0.39341%0.407SS..Hα-helixtrans-53.5-35.3-176.155.80000114.2T257 L262 W263T257-T259 VanDerWaalsContact C-N 3.28Å; T257-T259 PolarHBondContact O-N 3.46Å; T259-L262 PolarHBondContact O-N 3.25Å; T259-W263 WeakPolarHBondContact O-CB 3.33Å; T259-W263 PolarHBondContact O-N 3.08Å
260H79.9Confident80.3Confident118 Ų11876.3 Ų76.355%0.54640%0.4SS..Hα-helixtrans-70-33.4-179.2-178-98.7000113.5E258 K264E258-H260 PolarHBondContact O-N 3.44Å; E258-H260 VanDerWaalsContact O-N 3.13Å; H260-K264 WeakPolarHBondContact CE1-CE 3.5Å; H260-K264 PolarHBondContact O-N 3Å
261K81.8Confident80.5Confident108 Ų10877.2 Ų77.247%0.4739%0.389SS..Hα-helixtrans-72.7-39176-67.9-172.6-165.8159.10110.9V254 E258 K264 N265V254-K261 HydrophobicContact CG1-CB 4.19Å; V254-K261 HydrophobicContact CG2-CB 4.43Å; E258-K261 PolarHBondContact O-N 3.33Å; E258-K261 VanDerWaalsContact O-N 3.1Å; E258-K261 IonicContact OE1-NZ 2.7Å; E258-K261 PolarHBondContact OE1-NZ 3.26Å; E258-K261 VanDerWaalsContact OE2-CD 3.3Å; E258-K261 WeakPolarHBondContact OE2-CD 3.33Å; E258-K261 WeakPolarHBondContact OE2-CE 3.37Å; E258-K261 IonicContact OE2-NZ 2.91Å; E258-K261 PolarHBondContact OE2-NZ 3.48Å; K261-K264 PolarHBondContact O-N 2.83Å; K261-N265 PolarHBondContact O-N 3.18Å
262L80.8Confident80.5Confident2 Ų278.4 Ų78.41%0.0139%0.392CS..Hα-helixtrans-64.1-42.6175.1-63.2170.5000111.6F212 F245 P248 V249 V254 E258 T259 K264 N265 I266F212-L262 HydrophobicContact CE2-CD1 3.57Å; F212-L262 HydrophobicContact CZ-CD1 4.26Å; F245-L262 HydrophobicContact CD2-CB 4.49Å; F245-L262 HydrophobicContact CE1-CD1 4.4Å; F245-L262 HydrophobicContact CE2-CB 3.65Å; F245-L262 HydrophobicContact CE2-CD1 4.47Å; F245-L262 HydrophobicContact CZ-CB 3.91Å; F245-L262 HydrophobicContact CZ-CD1 3.92Å; F245-L262 HydrophobicContact CZ-CG 4.48Å; P248-L262 HydrophobicContact CB-CD2 4.1Å; P248-L262 HydrophobicContact CG-CD2 4.32Å; V249-L262 HydrophobicContact CG2-CD1 4.33Å; V249-L262 HydrophobicContact CG2-CD2 3.85Å; V254-L262 HydrophobicContact CB-CD2 4.25Å; V254-L262 HydrophobicContact CG1-CD2 3.97Å; V254-L262 HydrophobicContact CG1-CG 3.98Å; E258-L262 PolarHBondContact O-N 2.98Å; T259-L262 PolarHBondContact O-N 3.25Å; L262-K264 PolarHBondContact O-N 3.48Å; L262-N265 PolarHBondContact O-N 3.21Å; L262-I266 WeakPolarHBondContact O-CG2 3.49Å; L262-I266 PolarHBondContact O-N 3.42Å; L262-I266 VanDerWaalsContact O-N 3.09Å
263W82.6Confident80.5Confident64 Ų6475.6 Ų75.624%0.24236%0.363CS..Hα-helixtrans-56-50.7173.2169.1-101.2000111.8I219 V223 T259 N265 I266 E267I219-W263 HydrophobicContact CB-CE3 3.83Å; I219-W263 HydrophobicContact CB-CZ3 4.02Å; I219-W263 HydrophobicContact CD1-CB 4.02Å; I219-W263 HydrophobicContact CD1-CE3 4.1Å; I219-W263 HydrophobicContact CG1-CD2 4.41Å; I219-W263 HydrophobicContact CG1-CE3 3.57Å; I219-W263 HydrophobicContact CG1-CZ3 4.16Å; I219-W263 HydrophobicContact CG2-CE3 3.39Å; I219-W263 HydrophobicContact CG2-CZ3 3.57Å; V223-W263 HydrophobicContact CG2-CH2 3.39Å; V223-W263 HydrophobicContact CG2-CZ3 3.74Å; T259-W263 WeakPolarHBondContact O-CB 3.33Å; T259-W263 PolarHBondContact O-N 3.08Å; W263-N265 PolarHBondContact O-N 2.99Å; W263-I266 PolarHBondContact O-N 3.49Å; W263-E267 HydrophobicContact CD2-CB 4.28Å; W263-E267 HydrophobicContact CH2-CG 4.27Å; W263-E267 HydrophobicContact CZ2-CB 4.13Å; W263-E267 HydrophobicContact CZ2-CG 3.7Å; W263-E267 PolarHBondContact NE1-OE2 3.4Å; W263-E267 WeakPolarHBondContact O-CB 3.39Å; W263-E267 PolarHBondContact O-N 3.48Å
264K83.6Confident80.7Confident132 Ų13271.5 Ų71.557%0.57435%0.347SS*.Hα-helixtrans-60.4-32.7-179.4-79.4-171.9170.3-175.10113.5H260 K261 L262 P268H260-K264 WeakPolarHBondContact CE1-CE 3.5Å; H260-K264 PolarHBondContact O-N 3Å; K261-K264 PolarHBondContact O-N 2.83Å; L262-K264 PolarHBondContact O-N 3.48Å; K264-P268 WeakPolarHBondContact O-CD 3.29Å
265N83.3Confident80.7Confident85 Ų8577.6 Ų77.646%0.45537%0.374SS..Hα-helixtrans-72-45177.9-168.644.8000111.8P248 K261 L262 W263 P268P248-N265 WeakPolarHBondContact CG-ND2 3.42Å; K261-N265 PolarHBondContact O-N 3.18Å; L262-N265 PolarHBondContact O-N 3.21Å; W263-N265 PolarHBondContact O-N 2.99Å; N265-P268 WeakPolarHBondContact O-CD 3.19Å
266I84.3Confident80.4Confident3 Ų372.2 Ų72.22%0.01535%0.354CS..Hα-helixtrans-86.9-25.9-173.5-155.3173.7000113.7Y216 I219 F245 L262 W263 H269 L270Y216-I266 HydrophobicContact CE2-CD1 4.04Å; I219-I266 HydrophobicContact CG2-CG2 4.26Å; F245-I266 HydrophobicContact CB-CD1 3.65Å; F245-I266 HydrophobicContact CD2-CB 4.34Å; F245-I266 HydrophobicContact CD2-CD1 3.72Å; F245-I266 HydrophobicContact CD2-CG2 4.1Å; F245-I266 HydrophobicContact CE2-CG2 4.41Å; F245-I266 HydrophobicContact CG-CD1 4.14Å; L262-I266 WeakPolarHBondContact O-CG2 3.49Å; L262-I266 PolarHBondContact O-N 3.42Å; L262-I266 VanDerWaalsContact O-N 3.09Å; W263-I266 PolarHBondContact O-N 3.49Å; I266-H269 WeakPolarHBondContact O-CA 3.31Å; I266-H269 WeakPolarHBondContact O-CB 3.36Å; I266-H269 PolarHBondContact O-N 3.05Å; I266-L270 HydrophobicContact CD1-CD2 4.1Å; I266-L270 HydrophobicContact CD1-CG 4.4Å; I266-L270 HydrophobicContact CG1-CD1 4.45Å; I266-L270 HydrophobicContact CG1-CD2 4.04Å; I266-L270 HydrophobicContact CG1-CG 3.96Å; I266-L270 HydrophobicContact CG2-CD1 4.16Å; I266-L270 HydrophobicContact CG2-CG 4.44Å; I266-L270 WeakPolarHBondContact O-CG 3.16Å; I266-L270 PolarHBondContact O-N 2.93Å
267E84.4Confident79.9Confident51 Ų5168.5 Ų68.524%0.23834%0.337CS..Hα-helixtrans-48.1-50.1-179-178-179176.300114.1W263 H269 L270 K271W263-E267 HydrophobicContact CD2-CB 4.28Å; W263-E267 HydrophobicContact CH2-CG 4.27Å; W263-E267 HydrophobicContact CZ2-CB 4.13Å; W263-E267 HydrophobicContact CZ2-CG 3.7Å; W263-E267 PolarHBondContact NE1-OE2 3.4Å; W263-E267 WeakPolarHBondContact O-CB 3.39Å; W263-E267 PolarHBondContact O-N 3.48Å; E267-H269 VanDerWaalsContact C-N 3.3Å; E267-H269 PolarHBondContact O-N 3.08Å; E267-L270 PolarHBondContact O-N 2.74Å; E267-K271 HydrophobicContact CG-CD 4.4Å; E267-K271 WeakPolarHBondContact O-CG 3.26Å; E267-K271 PolarHBondContact O-N 2.58Å; E267-K271 VanDerWaalsContact OE1-CE 3.24Å; E267-K271 WeakPolarHBondContact OE1-CE 3.18Å; E267-K271 IonicContact OE1-NZ 3.17Å; E267-K271 PolarHBondContact OE1-NZ 2.99Å
268P85.6Confident79.5Confident81 Ų8169 Ų6953%0.52633%0.327SS..Hα-helixtrans-64.9-35.2178.325.6-34.7000112.4K264 N265 K271 K272K264-P268 WeakPolarHBondContact O-CD 3.29Å; N265-P268 WeakPolarHBondContact O-CD 3.19Å; P268-K271 PolarHBondContact O-N 3.05Å; P268-K272 PolarHBondContact O-N 2.94Å; P268-K272 VanDerWaalsContact O-N 3.07Å
269H82.8Confident78.9Confident50 Ų5070.6 Ų70.623%0.23134%0.337CS..Hα-helixtrans-65.9-45.9176.6-169.9-102.8000111.3N241 I266 E267 K271 K272 A273 W287N241-H269 PolarHBondContact OD1-CE1 2.94Å; N241-H269 VanDerWaalsContact OD1-CE1 3.31Å; N241-H269 PolarHBondContact OD1-ND1 2.86Å; I266-H269 WeakPolarHBondContact O-CA 3.31Å; I266-H269 WeakPolarHBondContact O-CB 3.36Å; I266-H269 PolarHBondContact O-N 3.05Å; E267-H269 VanDerWaalsContact C-N 3.3Å; E267-H269 PolarHBondContact O-N 3.08Å; H269-K271 VanDerWaalsContact C-N 3.35Å; H269-K271 PolarHBondContact O-N 3.47Å; H269-K272 WeakPolarHBondContact O-CB 3.47Å; H269-K272 PolarHBondContact O-N 3.4Å; H269-A273 WeakPolarHBondContact O-CB 3.49Å; H269-A273 PolarHBondContact O-N 3.49Å; H269-W287 AromaticContact CE1-CH2 3.45Å; H269-W287 VanDerWaalsContact CE1-CH2 3.45Å; H269-W287 WeakPolarHBondContact CE1-CH2 3.22Å; H269-W287 AromaticContact CE1-CZ3 3.64Å
270L83.6Confident78.5Confident0 Ų075.6 Ų75.60%035%0.349CS..Hα-helixtrans-63.4-39.2176.7-61.3-174.4000112I219 V223 F224 N241 I266 E267 K272 A273 M274I219-L270 HydrophobicContact CG2-CD1 4.13Å; V223-L270 HydrophobicContact CG1-CB 4.34Å; V223-L270 HydrophobicContact CG2-CB 4.37Å; V223-L270 HydrophobicContact CG2-CD1 4.17Å; F224-L270 HydrophobicContact CE2-CB 3.98Å; F224-L270 HydrophobicContact CE2-CD1 4.32Å; F224-L270 HydrophobicContact CE2-CD2 3.97Å; F224-L270 HydrophobicContact CE2-CG 4.27Å; F224-L270 HydrophobicContact CZ-CB 4.15Å; F224-L270 HydrophobicContact CZ-CD2 4.33Å; N241-L270 HydrophobicContact CB-CD2 3.89Å; I266-L270 HydrophobicContact CD1-CD2 4.1Å; I266-L270 HydrophobicContact CD1-CG 4.4Å; I266-L270 HydrophobicContact CG1-CD1 4.45Å; I266-L270 HydrophobicContact CG1-CD2 4.04Å; I266-L270 HydrophobicContact CG1-CG 3.96Å; I266-L270 HydrophobicContact CG2-CD1 4.16Å; I266-L270 HydrophobicContact CG2-CG 4.44Å; I266-L270 WeakPolarHBondContact O-CG 3.16Å; I266-L270 PolarHBondContact O-N 2.93Å; E267-L270 PolarHBondContact O-N 2.74Å; L270-K272 VanDerWaalsContact C-N 3.32Å; L270-K272 PolarHBondContact O-N 3.19Å; L270-A273 PolarHBondContact O-N 2.73Å; L270-M274 WeakPolarHBondContact O-CB 3.26Å; L270-M274 PolarHBondContact O-N 2.64Å
271K83.6Confident77.5Confident100 Ų10072 Ų7244%0.43533%0.332SS..Hα-helixtrans-64.4-35.8175.5-75.1179.8-174.6170.60112.5E267 P268 H269 M274E267-K271 HydrophobicContact CG-CD 4.4Å; E267-K271 WeakPolarHBondContact O-CG 3.26Å; E267-K271 PolarHBondContact O-N 2.58Å; E267-K271 VanDerWaalsContact OE1-CE 3.24Å; E267-K271 WeakPolarHBondContact OE1-CE 3.18Å; E267-K271 IonicContact OE1-NZ 3.17Å; E267-K271 PolarHBondContact OE1-NZ 2.99Å; P268-K271 PolarHBondContact O-N 3.05Å; H269-K271 VanDerWaalsContact C-N 3.35Å; H269-K271 PolarHBondContact O-N 3.47Å; K271-M274 WeakPolarHBondContact O-CB 2.99Å
272K81.1Confident76.3Confident128 Ų12868.2 Ų68.256%0.55732%0.318SS*.Hα-helixtrans-67.5-47.4172.9-171.8-177.3177.7-171.30110.7P268 H269 L270 M274 Q275P268-K272 PolarHBondContact O-N 2.94Å; P268-K272 VanDerWaalsContact O-N 3.07Å; H269-K272 WeakPolarHBondContact O-CB 3.47Å; H269-K272 PolarHBondContact O-N 3.4Å; L270-K272 VanDerWaalsContact C-N 3.32Å; L270-K272 PolarHBondContact O-N 3.19Å; K272-M274 PolarHBondContact O-N 2.71Å; K272-Q275 PolarHBondContact O-N 3.41Å; K272-Q275 VanDerWaalsContact O-N 3.14Å
273A78.5Confident75.3Confident3 Ų370.8 Ų70.83%0.02534%0.336CS..Hα-helixtrans-60.9-33.7176.500000112.4F224 H269 L270 Q275 T276 V277 W287F224-A273 HydrophobicContact CZ-CB 4.26Å; H269-A273 WeakPolarHBondContact O-CB 3.49Å; H269-A273 PolarHBondContact O-N 3.49Å; L270-A273 PolarHBondContact O-N 2.73Å; A273-Q275 PolarHBondContact O-N 3.1Å; A273-T276 CarbonylContact O-C 3.54Å; A273-T276 PolarHBondContact O-N 3.16Å; A273-T276 PolarHBondContact O-OG1 3.3Å; A273-T276 VanDerWaalsContact O-OG1 3.08Å; A273-V277 WeakPolarHBondContact O-CG2 3.48Å; A273-V277 PolarHBondContact O-N 3.34Å; A273-W287 HydrophobicContact CB-CH2 3.89Å; A273-W287 HydrophobicContact CB-CZ2 4.12Å
274M80.1Confident74.3Confident59 Ų5970.2 Ų70.229%0.29134%0.342SS..Hα-helixtrans-57.2-34.9175.5-170-177.869.600112.9V223 F224 V227 L270 K271 K272 T276 V277V223-M274 HydrophobicContact CG1-SD 4.05Å; F224-M274 HydrophobicContact CD1-CB 4.37Å; F224-M274 HydrophobicContact CD1-CG 4.32Å; F224-M274 HydrophobicContact CE1-CB 3.9Å; F224-M274 HydrophobicContact CE1-CG 4.34Å; V227-M274 HydrophobicContact CG2-CG 4.15Å; V227-M274 HydrophobicContact CG2-SD 3.89Å; L270-M274 WeakPolarHBondContact O-CB 3.26Å; L270-M274 PolarHBondContact O-N 2.64Å; K271-M274 WeakPolarHBondContact O-CB 2.99Å; K272-M274 PolarHBondContact O-N 2.71Å; M274-T276 VanDerWaalsContact C-N 3.26Å; M274-T276 PolarHBondContact O-N 3.04Å; M274-V277 WeakPolarHBondContact O-CG2 3.47Å
275Q76.8Confident73.2Confident150 Ų15069.1 Ų69.170%0.70134%0.342SS*.Hα-helixtrans-73.7-20.9178.6-64.5175.8-9.600112.4K272 A273K272-Q275 PolarHBondContact O-N 3.41Å; K272-Q275 VanDerWaalsContact O-N 3.14Å; A273-Q275 PolarHBondContact O-N 3.1Å
276T71.1Confident72.1Confident41 Ų4169.5 Ų69.525%0.25234%0.341SS..Hα-helixtrans-112.61.8-173.757.50000114.2A273 M274 Y278 L279A273-T276 CarbonylContact O-C 3.54Å; A273-T276 PolarHBondContact O-N 3.16Å; A273-T276 PolarHBondContact O-OG1 3.3Å; A273-T276 VanDerWaalsContact O-OG1 3.08Å; M274-T276 VanDerWaalsContact C-N 3.26Å; M274-T276 PolarHBondContact O-N 3.04Å; T276-Y278 PolarHBondContact O-N 3.21Å; T276-L279 PolarHBondContact O-N 2.83Å; T276-L279 VanDerWaalsContact O-N 3.13Å
277V62.6Low71Confident13 Ų1371 Ų718%0.07935%0.347CS..THydrogen-bonded Turntrans-47.2-51.8-170172.50000113.8F224 L237 A273 M274F224-V277 HydrophobicContact CD1-CG2 3.89Å; F224-V277 HydrophobicContact CE1-CG2 3.6Å; L237-V277 HydrophobicContact CD1-CG1 3.82Å; L237-V277 HydrophobicContact CD1-CG2 4.03Å; L237-V277 HydrophobicContact CD2-CG2 4.44Å; A273-V277 WeakPolarHBondContact O-CG2 3.48Å; A273-V277 PolarHBondContact O-N 3.34Å; M274-V277 WeakPolarHBondContact O-CG2 3.47Å
278Y65.3Low69.8Low128 Ų12873.9 Ų73.950%0.50236%0.36SS..THydrogen-bonded Turntrans-94.9-15.8-176.3-69.3-70.9000113.8C228 E233 T276 R280C228-Y278 PolarHBondContact SG-OH 3.48Å; E233-Y278 HydrophobicContact CG-CE1 4.1Å; T276-Y278 PolarHBondContact O-N 3.21Å; Y278-R280 PolarHBondContact O-N 3.31Å
279L69.4Low68.4Low103 Ų10376 Ų7654%0.53936%0.363SS..THydrogen-bonded Turntrans-75.2-19.8-172.8-66173.2000111.6T276 E281T276-L279 PolarHBondContact O-N 2.83Å; T276-L279 VanDerWaalsContact O-N 3.13Å; L279-E281 HydrophobicContact CB-CG 3.45Å; L279-E281 VanDerWaalsContact CB-CG 3.45Å; L279-E281 HydrophobicContact CD1-CG 4.3Å; L279-E281 HydrophobicContact CG-CG 4.49Å; L279-E281 PolarHBondContact O-N 3.49Å
280R67.3Low67.1Low168 Ų16876.6 Ų76.663%0.63437%0.366SS*.  trans42.440.6-176.6-63.1-173179.3-174.10.1111.2E233 Y278 V282E233-R280 IonicContact OE1-NH2 3.49Å; E233-R280 PolarHBondContact OE1-NH2 3.47Å; Y278-R280 PolarHBondContact O-N 3.31Å; R280-V282 PolarHBondContact O-N 3.31Å; R280-V282 VanDerWaalsContact O-N 3.08Å
281E58Low65.6Low42 Ų4279.1 Ų79.120%0.19638%0.38CS..  trans-63.4-21.1-172-59.2-166.8144.700112.5L279 L301 S302L279-E281 HydrophobicContact CB-CG 3.45Å; L279-E281 VanDerWaalsContact CB-CG 3.45Å; L279-E281 HydrophobicContact CD1-CG 4.3Å; L279-E281 HydrophobicContact CG-CG 4.49Å; L279-E281 PolarHBondContact O-N 3.49Å; E281-L301 PolarHBondContact O-N 3.32Å; E281-S302 WeakPolarHBondContact OE1-CB 3.43Å; E281-S302 PolarHBondContact OE1-OG 3.28Å
282V56.8Low63.9Low29 Ų2982 Ų8218%0.17640%0.395CS..SBendtrans-129.4128.2177.2-171.50000106.5R280 Q286 W287 M290R280-V282 PolarHBondContact O-N 3.31Å; R280-V282 VanDerWaalsContact O-N 3.08Å; V282-Q286 HydrophobicContact CG1-CB 3.38Å; V282-W287 HydrophobicContact CG1-CG 4.44Å; V282-M290 HydrophobicContact CG1-SD 4.06Å
283S60.7Low62Low56 Ų5682 Ų8239%0.39240%0.396SS..  trans-60.4151.2176.3-177.90000110.3L285 Q286 W287S283-L285 PolarHBondContact O-N 3.13Å; S283-Q286 VanDerWaalsContact N-OE1 3.14Å; S283-Q286 WeakPolarHBondContact O-CA 3.45Å; S283-Q286 WeakPolarHBondContact O-CB 3.36Å; S283-Q286 PolarHBondContact O-N 2.95Å; S283-W287 PolarHBondContact O-N 3.48Å
284S62.1Low60.3Low52 Ų5290.8 Ų90.836%0.36444%0.437SS..Hα-helixtrans-53.4-39.5177.850.40000112.1Q286 W287 E288S284-Q286 PolarHBondContact O-N 2.59Å; S284-W287 PolarHBondContact O-N 3.13Å; S284-E288 WeakPolarHBondContact O-CG 3.15Å; S284-E288 PolarHBondContact O-N 2.78Å
285L60.3Low58.1Low110 Ų11093.3 Ų93.358%0.57646%0.456SS*.Hα-helixtrans-65.4-36.5175.4-66.8167.5000113.3S283 Q289S283-L285 PolarHBondContact O-N 3.13Å; L285-Q289 VanDerWaalsContact O-CG 3.26Å; L285-Q289 WeakPolarHBondContact O-CG 3.25Å; L285-Q289 PolarHBondContact O-N 3.13Å; L285-Q289 VanDerWaalsContact O-N 3.16Å
286Q60.1Low56.4Low93 Ų9389.1 Ų89.144%0.43545%0.453SS..Hα-helixtrans-74.7-30.9177.8-73.1170.9-24.300111V282 S283 S284 Q289 M290V282-Q286 HydrophobicContact CG1-CB 3.38Å; S283-Q286 VanDerWaalsContact N-OE1 3.14Å; S283-Q286 WeakPolarHBondContact O-CA 3.45Å; S283-Q286 WeakPolarHBondContact O-CB 3.36Å; S283-Q286 PolarHBondContact O-N 2.95Å; S284-Q286 PolarHBondContact O-N 2.59Å; Q286-Q289 PolarHBondContact O-N 3.02Å; Q286-M290 VanDerWaalsContact O-CG 3.26Å; Q286-M290 WeakPolarHBondContact O-CG 3.47Å; Q286-M290 PolarHBondContact O-N 3.23Å
287W61.1Low55.1Low35 Ų3591.3 Ų91.313%0.13348%0.475CS..Hα-helixtrans-71-40.1174.4-122.862000112.1L240 N241 H269 A273 V282 S283 S284 Q289 M290 D291L240-W287 HydrophobicContact CB-CZ3 4.49Å; L240-W287 HydrophobicContact CD1-CB 4.08Å; L240-W287 HydrophobicContact CD1-CD2 4.33Å; L240-W287 HydrophobicContact CD1-CE3 3.71Å; L240-W287 HydrophobicContact CD1-CZ3 4.42Å; L240-W287 HydrophobicContact CD2-CD2 3.64Å; L240-W287 HydrophobicContact CD2-CE3 3.2Å; L240-W287 HydrophobicContact CD2-CG 4.3Å; L240-W287 HydrophobicContact CD2-CH2 4Å; L240-W287 HydrophobicContact CD2-CZ2 4.43Å; L240-W287 HydrophobicContact CD2-CZ3 3.38Å; L240-W287 HydrophobicContact CG-CD2 4.07Å; L240-W287 HydrophobicContact CG-CE3 3.21Å; L240-W287 HydrophobicContact CG-CH2 4.49Å; L240-W287 HydrophobicContact CG-CZ3 3.45Å; L240-W287 VanDerWaalsContact CG-CZ3 3.45Å; N241-W287 WeakPolarHBondContact OD1-CH2 3.11Å; N241-W287 WeakPolarHBondContact OD1-CZ3 3.48Å; H269-W287 AromaticContact CE1-CH2 3.45Å; H269-W287 VanDerWaalsContact CE1-CH2 3.45Å; H269-W287 WeakPolarHBondContact CE1-CH2 3.22Å; H269-W287 AromaticContact CE1-CZ3 3.64Å; A273-W287 HydrophobicContact CB-CH2 3.89Å; A273-W287 HydrophobicContact CB-CZ2 4.12Å; V282-W287 HydrophobicContact CG1-CG 4.44Å; S283-W287 PolarHBondContact O-N 3.48Å; S284-W287 PolarHBondContact O-N 3.13Å; W287-Q289 VanDerWaalsContact C-N 3.29Å; W287-Q289 PolarHBondContact O-N 3.18Å; W287-M290 WeakPolarHBondContact O-CB 3.49Å; W287-M290 PolarHBondContact O-N 3.45Å; W287-M290 VanDerWaalsContact O-N 3.15Å; W287-D291 PolarHBondContact O-N 3.38Å
288E59.4Low54.3Low111 Ų11195.4 Ų95.452%0.51950%0.496SS..Hα-helixtrans-62.5-37.7172.7-72170.817900111.4S284 M290 D291S284-E288 WeakPolarHBondContact O-CG 3.15Å; S284-E288 PolarHBondContact O-N 2.78Å; E288-M290 VanDerWaalsContact C-N 3.33Å; E288-M290 PolarHBondContact O-N 3.09Å; E288-D291 PolarHBondContact O-N 2.92Å
289Q56.5Low53.8Low124 Ų12497 Ų9758%0.57950%0.501SS*.Hα-helixtrans-71-24.5174.3-72.1172.7-6.600113.6L285 Q286 W287 D291 E292 H293L285-Q289 VanDerWaalsContact O-CG 3.26Å; L285-Q289 WeakPolarHBondContact O-CG 3.25Å; L285-Q289 PolarHBondContact O-N 3.13Å; L285-Q289 VanDerWaalsContact O-N 3.16Å; Q286-Q289 PolarHBondContact O-N 3.02Å; W287-Q289 VanDerWaalsContact C-N 3.29Å; W287-Q289 PolarHBondContact O-N 3.18Å; Q289-D291 VanDerWaalsContact C-N 3.28Å; Q289-E292 PolarHBondContact O-N 3.33Å; Q289-H293 PolarHBondContact O-N 3.44Å
290M53.9Low53.1Low63 Ų6392.5 Ų92.531%0.3148%0.48SS..Hα-helixtrans-69.4-26.4172.2-74.8174.173.400112.4V282 Q286 W287 E288 E292 L298V282-M290 HydrophobicContact CG1-SD 4.06Å; Q286-M290 VanDerWaalsContact O-CG 3.26Å; Q286-M290 WeakPolarHBondContact O-CG 3.47Å; Q286-M290 PolarHBondContact O-N 3.23Å; W287-M290 WeakPolarHBondContact O-CB 3.49Å; W287-M290 PolarHBondContact O-N 3.45Å; W287-M290 VanDerWaalsContact O-N 3.15Å; E288-M290 VanDerWaalsContact C-N 3.33Å; E288-M290 PolarHBondContact O-N 3.09Å; M290-E292 VanDerWaalsContact C-N 3.33Å; M290-L298 HydrophobicContact CG-CD1 3.64Å; M290-L298 HydrophobicContact SD-CB 4.48Å; M290-L298 HydrophobicContact SD-CD1 3.81Å
291D52.2Low52.5Low53 Ų5390.6 Ų90.628%0.28348%0.482SS..Hα-helixtrans-73.6-24.8176.2-87.4-11.5000112S243 W287 E288 Q289S243-D291 PolarHBondContact OG-OD2 3.42Å; W287-D291 PolarHBondContact O-N 3.38Å; E288-D291 PolarHBondContact O-N 2.92Å; Q289-D291 VanDerWaalsContact C-N 3.28Å
292E49.2Very low52.4Low160 Ų16092.1 Ų92.175%0.74850%0.497SS*.Hα-helixtrans-87.8-25.7-179.3-68-173.5159.400114.1Q289 M290Q289-E292 PolarHBondContact O-N 3.33Å; M290-E292 VanDerWaalsContact C-N 3.33Å
293H41Very low52.2Low128 Ų12892.4 Ų92.459%0.59350%0.502SS*.  trans-128.1112178.7-72.7-72.6000110.4Q289 T295Q289-H293 PolarHBondContact O-N 3.44Å; H293-T295 PolarHBondContact O-N 2.88Å
294E42.3Very low52.1Low189 Ų18996 Ų9688%0.88351%0.513SS*.  trans-66.645.1171.9-67.9-167.8139.500113.2
295T34.5Very low52Low112 Ų11296.6 Ų96.669%0.68751%0.514SS*.  trans-11692.5-172.351.70000112H293H293-T295 PolarHBondContact O-N 2.88Å
296G40.5Very low52.2Low61 Ų6197.5 Ų97.563%0.62952%0.515SS*.  trans76.1140.4154.600000115.9L298G296-L298 PolarHBondContact O-N 3.48Å
297A42.9Very low53.1Low87 Ų8796.5 Ų96.572%0.71952%0.515SS*.  trans-61.4100171.200000109.6R299A297-R299 PolarHBondContact O-N 3.06Å
298L47.2Very low54.2Low100 Ų100103.8 Ų103.852%0.52455%0.551SS.*  trans-51.9112.3160.3-88.3152.5000106.8M290 G296 G300M290-L298 HydrophobicContact CG-CD1 3.64Å; M290-L298 HydrophobicContact SD-CB 4.48Å; M290-L298 HydrophobicContact SD-CD1 3.81Å; G296-L298 PolarHBondContact O-N 3.48Å; L298-G300 PolarHBondContact O-N 3.22Å
299R54Low55.5Low160 Ų16099.5 Ų99.560%0.60453%0.531SS*.  trans-62.6108.7170.2-83.2-173.3-177-169.93.1105.7A297 A303A297-R299 PolarHBondContact O-N 3.06Å; R299-A303 HydrophobicContact CB-CB 3.62Å; R299-A303 HydrophobicContact CG-CB 3.85Å
300G55.1Low57.2Low9 Ų997.2 Ų97.29%0.09353%0.527CS..  trans-53.8165.4174.500000111.5L298 S302 A303L298-G300 PolarHBondContact O-N 3.22Å; G300-S302 PolarHBondContact O-N 3.34Å; G300-A303 PolarHBondContact O-N 3.36Å
301L55.8Low58.9Low129 Ų12999.8 Ų99.868%0.67553%0.534SS*.G310 helixtrans-44.5-37.1178-74.4154.3000113.3E281 A303 H304E281-L301 PolarHBondContact O-N 3.32Å; L301-A303 VanDerWaalsContact C-N 3.3Å; L301-A303 PolarHBondContact O-N 3.26Å; L301-H304 PolarHBondContact O-N 2.86Å
302S54.3Low60.8Low73 Ų73101.3 Ų101.351%0.5154%0.537SS..G310 helixtrans-66.4-22.8178.2-510000115.1E281 G300E281-S302 WeakPolarHBondContact OE1-CB 3.43Å; E281-S302 PolarHBondContact OE1-OG 3.28Å; G300-S302 PolarHBondContact O-N 3.34Å
303A54.2Low62.9Low36 Ų3694 Ų9430%0.29850%0.503SS..G310 helixtrans-92.7-0.7-178.200000113.3R299 G300 L301 T305R299-A303 HydrophobicContact CB-CB 3.62Å; R299-A303 HydrophobicContact CG-CB 3.85Å; G300-A303 PolarHBondContact O-N 3.36Å; L301-A303 VanDerWaalsContact C-N 3.3Å; L301-A303 PolarHBondContact O-N 3.26Å; A303-T305 PolarHBondContact O-N 3.36Å; A303-T305 VanDerWaalsContact O-N 3.13Å
304H57.6Low65.3Low131 Ų13189.8 Ų89.861%0.60648%0.483SS*.  trans-83.253.4168-70.8-71000111.7L301 H306L301-H304 PolarHBondContact O-N 2.86Å; H304-H306 PolarHBondContact O-N 3.25Å
305T59.9Low67.8Low64 Ų6481.1 Ų81.139%0.39344%0.442SS..  trans-77.57.6171.955.50000113.1A303 V307 F422A303-T305 PolarHBondContact O-N 3.36Å; A303-T305 VanDerWaalsContact O-N 3.13Å; T305-V307 PolarHBondContact O-N 2.81Å; T305-F422 VanDerWaalsContact O-CD2 3.27Å; T305-F422 WeakPolarHBondContact O-CD2 3.5Å; T305-F422 WeakPolarHBondContact O-CE2 3.38Å
306H65.2Low70.6Confident130 Ų13075.8 Ų75.860%0.60241%0.41SS*.  trans-94.986.4178.4-70-82.4000109.9H304H304-H306 PolarHBondContact O-N 3.25Å
307V78.1Confident73.1Confident71 Ų7172.9 Ų72.943%0.4338%0.38SS..  trans-93.2120.3168.9-179.20000108.4T305 L309 F422T305-V307 PolarHBondContact O-N 2.81Å; V307-L309 HydrophobicContact CG1-CD2 3.84Å; V307-L309 HydrophobicContact CG1-CG 4Å; V307-L309 PolarHBondContact O-N 2.96Å; V307-F422 HydrophobicContact CB-CE2 4.16Å; V307-F422 HydrophobicContact CB-CZ 3.99Å; V307-F422 HydrophobicContact CG2-CE2 3.91Å; V307-F422 HydrophobicContact CG2-CZ 4.02Å
308E83.6Confident75.6Confident189 Ų18968.8 Ų68.888%0.88335%0.346SS*.  trans-76.6113172.4-69.3-166.1166.300110
309L87.9Confident77.8Confident20 Ų2064 Ų6411%0.10532%0.321CS..  trans-112.1150.8177.8-65.6174.8000110.9V307 K314 L317 L399 I426V307-L309 HydrophobicContact CG1-CD2 3.84Å; V307-L309 HydrophobicContact CG1-CG 4Å; V307-L309 PolarHBondContact O-N 2.96Å; L309-K314 HydrophobicContact CB-CG 3.8Å; L309-K314 WeakPolarHBondContact O-CE 3.44Å; L309-L317 HydrophobicContact CD1-CD2 3.84Å; L309-L399 HydrophobicContact CD1-CD1 3.98Å; L309-L399 HydrophobicContact CD2-CD1 4.17Å; L309-I426 HydrophobicContact CD1-CD1 4.04Å
310P92.2Very high79.8Confident76 Ų7656.4 Ų56.449%0.49429%0.292SS..  trans-55.9152.4170-24.133.1000112.3Y312 S313 K314P310-Y312 PolarHBondContact O-N 3.48Å; P310-S313 WeakPolarHBondContact O-CA 3.44Å; P310-S313 WeakPolarHBondContact O-CB 3.4Å; P310-S313 PolarHBondContact O-N 3.44Å; P310-K314 WeakPolarHBondContact O-CG 3.38Å; P310-K314 PolarHBondContact O-N 2.69Å
311Y90.3Very high81.6Confident117 Ų11756 Ų5646%0.45929%0.288SS..Hα-helixtrans-52.4-52.3-176-179.9-94.1000113.2S313 K314 F315 V430Y311-S313 VanDerWaalsContact C-N 3.34Å; Y311-S313 PolarHBondContact O-N 2.99Å; Y311-K314 WeakPolarHBondContact O-CB 3.39Å; Y311-K314 PolarHBondContact O-N 3.06Å; Y311-F315 HydrophobicContact CD1-CD2 4.21Å; Y311-F315 HydrophobicContact CD1-CE2 4.46Å; Y311-F315 HydrophobicContact CD2-CE2 4.22Å; Y311-F315 AromaticContact CE1-CD2 3.83Å; Y311-F315 HydrophobicContact CE1-CD2 3.83Å; Y311-F315 AromaticContact CE1-CE2 3.79Å; Y311-F315 HydrophobicContact CE1-CE2 3.79Å; Y311-F315 HydrophobicContact CE2-CD2 4.18Å; Y311-F315 AromaticContact CE2-CE2 3.53Å; Y311-F315 HydrophobicContact CE2-CE2 3.53Å; Y311-F315 AromaticContact CZ-CD2 3.82Å; Y311-F315 AromaticContact CZ-CE2 3.27Å; Y311-F315 WeakPolarHBondContact O-CD2 3.45Å; Y311-F315 PolarHBondContact O-N 3.42Å; Y311-F315 WeakPolarHBondContact OH-CE2 3.49Å; Y311-V430 HydrophobicContact CD2-CG1 4.4Å; Y311-V430 HydrophobicContact CE2-CG1 4.43Å
312Y91.4Very high83.4Confident86 Ų8649.9 Ų49.934%0.33726%0.256SS..Hα-helixtrans-67.3-34.2178.9-67.2-55.7000112.7P310 K314 F315 L316 F373 V377 V381 Q390P310-Y312 PolarHBondContact O-N 3.48Å; Y312-K314 VanDerWaalsContact C-N 3.33Å; Y312-K314 PolarHBondContact O-N 2.68Å; Y312-F315 PolarHBondContact O-N 3.34Å; Y312-L316 WeakPolarHBondContact O-CB 3.23Å; Y312-L316 VanDerWaalsContact O-CG 3.29Å; Y312-L316 WeakPolarHBondContact O-CG 3.39Å; Y312-L316 PolarHBondContact O-N 3.13Å; Y312-F373 HydrophobicContact CD1-CE2 4.42Å; Y312-F373 AromaticContact CD1-CZ 3.95Å; Y312-F373 HydrophobicContact CD1-CZ 3.95Å; Y312-V377 HydrophobicContact CE1-CG1 4.47Å; Y312-V381 HydrophobicContact CD1-CG2 4.32Å; Y312-V381 HydrophobicContact CE1-CG1 4.46Å; Y312-V381 HydrophobicContact CE1-CG2 3.51Å; Y312-Q390 VanDerWaalsContact CB-OE1 3.31Å
313S92.3Very high85.2Confident7 Ų746.4 Ų46.45%0.04923%0.231CC..Hα-helixtrans-63.1-37.3173.6-54.30000112.3P310 Y311 L316 L317 Q390P310-S313 WeakPolarHBondContact O-CA 3.44Å; P310-S313 WeakPolarHBondContact O-CB 3.4Å; P310-S313 PolarHBondContact O-N 3.44Å; Y311-S313 VanDerWaalsContact C-N 3.34Å; Y311-S313 PolarHBondContact O-N 2.99Å; S313-L316 PolarHBondContact O-N 3.29Å; S313-L317 WeakPolarHBondContact O-CB 3.44Å; S313-L317 PolarHBondContact O-N 2.83Å; S313-Q390 PolarHBondContact OG-OE1 2.87Å
314K92.8Very high87.1Confident39 Ų3944.7 Ų44.717%0.1722%0.217CC..Hα-helixtrans-60.9-47.8173-68.1-178.3178.1-178.60111.3L309 P310 Y311 Y312 L317 I318 I426 T429 V430L309-K314 HydrophobicContact CB-CG 3.8Å; L309-K314 WeakPolarHBondContact O-CE 3.44Å; P310-K314 WeakPolarHBondContact O-CG 3.38Å; P310-K314 PolarHBondContact O-N 2.69Å; Y311-K314 WeakPolarHBondContact O-CB 3.39Å; Y311-K314 PolarHBondContact O-N 3.06Å; Y312-K314 VanDerWaalsContact C-N 3.33Å; Y312-K314 PolarHBondContact O-N 2.68Å; K314-L317 PolarHBondContact O-N 2.85Å; K314-I318 VanDerWaalsContact O-CG1 3.26Å; K314-I318 WeakPolarHBondContact O-CG1 3.38Å; K314-I318 PolarHBondContact O-N 3.24Å; K314-I426 HydrophobicContact CB-CG2 3.65Å; K314-I426 HydrophobicContact CD-CG2 4.11Å; K314-I426 HydrophobicContact CG-CG2 3.76Å; K314-T429 PolarHBondContact NZ-OG1 2.9Å; K314-V430 HydrophobicContact CB-CG1 4.08Å; K314-V430 HydrophobicContact CD-CG1 3.62Å
315F93.2Very high88.6Confident6 Ų639.6 Ų39.63%0.02619%0.193CC..Hα-helixtrans-67.8-38.5178.5-85.3-81.5000113.3Y311 Y312 L317 I318 A319 F373 V376 V377 V430Y311-F315 HydrophobicContact CD1-CD2 4.21Å; Y311-F315 HydrophobicContact CD1-CE2 4.46Å; Y311-F315 HydrophobicContact CD2-CE2 4.22Å; Y311-F315 AromaticContact CE1-CD2 3.83Å; Y311-F315 HydrophobicContact CE1-CD2 3.83Å; Y311-F315 AromaticContact CE1-CE2 3.79Å; Y311-F315 HydrophobicContact CE1-CE2 3.79Å; Y311-F315 HydrophobicContact CE2-CD2 4.18Å; Y311-F315 AromaticContact CE2-CE2 3.53Å; Y311-F315 HydrophobicContact CE2-CE2 3.53Å; Y311-F315 AromaticContact CZ-CD2 3.82Å; Y311-F315 AromaticContact CZ-CE2 3.27Å; Y311-F315 WeakPolarHBondContact O-CD2 3.45Å; Y311-F315 PolarHBondContact O-N 3.42Å; Y311-F315 WeakPolarHBondContact OH-CE2 3.49Å; Y312-F315 PolarHBondContact O-N 3.34Å; F315-L317 VanDerWaalsContact C-N 3.3Å; F315-L317 PolarHBondContact O-N 3.24Å; F315-I318 PolarHBondContact O-N 3.42Å; F315-A319 VanDerWaalsContact O-CB 3.31Å; F315-A319 WeakPolarHBondContact O-CB 3.43Å; F315-A319 PolarHBondContact O-N 2.87Å; F315-F373 HydrophobicContact CB-CD2 4.02Å; F315-F373 HydrophobicContact CB-CE2 3.76Å; F315-V376 HydrophobicContact CD1-CG1 3.82Å; F315-V376 HydrophobicContact CE1-CG1 3.95Å; F315-V377 HydrophobicContact CB-CG2 3.68Å; F315-V377 HydrophobicContact CD1-CG2 3.76Å; F315-V377 HydrophobicContact CD2-CG2 4.45Å; F315-V377 HydrophobicContact CG-CG2 3.71Å; F315-V430 HydrophobicContact CD2-CG1 4.43Å; F315-V430 HydrophobicContact CE2-CB 3.73Å; F315-V430 HydrophobicContact CE2-CG1 3.89Å; F315-V430 HydrophobicContact CE2-CG2 4.09Å; F315-V430 HydrophobicContact CZ-CB 3.92Å; F315-V430 HydrophobicContact CZ-CG2 4Å
316L94Very high90.1Very high1 Ų136.6 Ų36.61%0.00518%0.175CC..Hα-helixtrans-60.2-42.6172.9-76.4168.6000111.1Y312 S313 A319 A320 F373 I387 Q390 I391 L394Y312-L316 WeakPolarHBondContact O-CB 3.23Å; Y312-L316 VanDerWaalsContact O-CG 3.29Å; Y312-L316 WeakPolarHBondContact O-CG 3.39Å; Y312-L316 PolarHBondContact O-N 3.13Å; S313-L316 PolarHBondContact O-N 3.29Å; L316-A319 PolarHBondContact O-N 3.5Å; L316-A320 VanDerWaalsContact O-CB 3.31Å; L316-A320 WeakPolarHBondContact O-CB 3.46Å; L316-A320 PolarHBondContact O-N 3.3Å; L316-F373 HydrophobicContact CB-CD2 4.43Å; L316-F373 HydrophobicContact CD2-CB 4.19Å; L316-F373 HydrophobicContact CD2-CD1 4.15Å; L316-F373 HydrophobicContact CD2-CD2 3.55Å; L316-F373 HydrophobicContact CD2-CE1 4.44Å; L316-F373 HydrophobicContact CD2-CE2 3.87Å; L316-F373 HydrophobicContact CD2-CG 3.7Å; L316-F373 HydrophobicContact CD2-CZ 4.3Å; L316-F373 HydrophobicContact CG-CD2 3.76Å; L316-F373 HydrophobicContact CG-CE2 3.69Å; L316-F373 HydrophobicContact CG-CG 4.4Å; L316-F373 HydrophobicContact CG-CZ 4.3Å; L316-I387 HydrophobicContact CD1-CG2 4.29Å; L316-I387 HydrophobicContact CD2-CG2 4.26Å; L316-Q390 HydrophobicContact CD1-CB 3.98Å; L316-I391 HydrophobicContact CD1-CG1 3.97Å; L316-I391 HydrophobicContact CD2-CD1 4.13Å; L316-I391 HydrophobicContact CD2-CG1 4.03Å; L316-L394 HydrophobicContact CB-CD1 3.96Å
317L94.2Very high91.2Very high0 Ų032 Ų320%016%0.156CC..Hα-helixtrans-68.7-39.4178.8-169.859.9000112.2L309 S313 K314 F315 A320 Y321 L399 L400 V418 F422 I423 I426L309-L317 HydrophobicContact CD1-CD2 3.84Å; S313-L317 WeakPolarHBondContact O-CB 3.44Å; S313-L317 PolarHBondContact O-N 2.83Å; K314-L317 PolarHBondContact O-N 2.85Å; F315-L317 VanDerWaalsContact C-N 3.3Å; F315-L317 PolarHBondContact O-N 3.24Å; L317-A320 PolarHBondContact O-N 3.13Å; L317-Y321 PolarHBondContact O-N 3.48Å; L317-L399 HydrophobicContact CD1-CB 4.04Å; L317-L399 HydrophobicContact CD2-CD1 4.19Å; L317-L400 HydrophobicContact CD1-CD2 4.01Å; L317-L400 HydrophobicContact CD1-CG 4.41Å; L317-V418 HydrophobicContact CD1-CG1 4.13Å; L317-V418 HydrophobicContact CD2-CG1 4.3Å; L317-F422 HydrophobicContact CD2-CE1 3.88Å; L317-I423 HydrophobicContact CB-CD1 4.41Å; L317-I423 HydrophobicContact CD2-CD1 4.39Å; L317-I423 HydrophobicContact CG-CD1 3.9Å; L317-I426 HydrophobicContact CD2-CD1 3.74Å
318I93.7Very high91.6Very high0 Ų031.5 Ų31.50%016%0.16CC..Hα-helixtrans-61.8-46.7172.9-68.9164.3000110.8K314 F315 A320 Y321 L322 I423 I426 V430 F432 I434K314-I318 VanDerWaalsContact O-CG1 3.26Å; K314-I318 WeakPolarHBondContact O-CG1 3.38Å; K314-I318 PolarHBondContact O-N 3.24Å; F315-I318 PolarHBondContact O-N 3.42Å; I318-A320 VanDerWaalsContact C-N 3.32Å; I318-A320 PolarHBondContact O-N 2.7Å; I318-Y321 WeakPolarHBondContact O-CB 3.28Å; I318-Y321 PolarHBondContact O-N 3.49Å; I318-L322 HydrophobicContact CG2-CD1 4.16Å; I318-L322 WeakPolarHBondContact O-CG 3.46Å; I318-L322 PolarHBondContact O-N 3.13Å; I318-I423 HydrophobicContact CB-CD1 4.4Å; I318-I423 HydrophobicContact CG1-CD1 3.81Å; I318-I423 HydrophobicContact CG1-CG1 4.03Å; I318-I426 HydrophobicContact CD1-CG2 4.16Å; I318-I426 HydrophobicContact CG1-CG2 4.32Å; I318-V430 HydrophobicContact CD1-CG2 3.72Å; I318-F432 HydrophobicContact CD1-CD1 4.46Å; I318-F432 HydrophobicContact CG2-CD1 3.83Å; I318-F432 HydrophobicContact CG2-CE1 3.75Å; I318-I434 HydrophobicContact CG2-CD1 3.87Å
319A94.3Very high91.7Very high0 Ų033.9 Ų33.90%016%0.16CC..Hα-helixtrans-62.2-40.5177.600000111.8F315 L316 L322 A323 L369 I372 F373F315-A319 VanDerWaalsContact O-CB 3.31Å; F315-A319 WeakPolarHBondContact O-CB 3.43Å; F315-A319 PolarHBondContact O-N 2.87Å; L316-A319 PolarHBondContact O-N 3.5Å; A319-L322 PolarHBondContact O-N 3.22Å; A319-A323 WeakPolarHBondContact O-CB 3.48Å; A319-A323 PolarHBondContact O-N 3.29Å; A319-L369 HydrophobicContact CB-CD1 3.88Å; A319-I372 HydrophobicContact CB-CB 4.22Å; A319-I372 HydrophobicContact CB-CG2 3.73Å; A319-F373 HydrophobicContact CB-CB 3.98Å
320A95Very high91.6Very high0 Ų033.7 Ų33.70%016%0.16CC..Hα-helixtrans-64.1-40.717500000112.5L316 L317 I318 A323 S324 F364 L369 L400L316-A320 VanDerWaalsContact O-CB 3.31Å; L316-A320 WeakPolarHBondContact O-CB 3.46Å; L316-A320 PolarHBondContact O-N 3.3Å; L317-A320 PolarHBondContact O-N 3.13Å; I318-A320 VanDerWaalsContact C-N 3.32Å; I318-A320 PolarHBondContact O-N 2.7Å; A320-A323 PolarHBondContact O-N 2.75Å; A320-S324 WeakPolarHBondContact O-CB 3.48Å; A320-S324 PolarHBondContact O-N 2.8Å; A320-F364 HydrophobicContact CB-CE1 4.43Å; A320-F364 HydrophobicContact CB-CE2 4.38Å; A320-F364 HydrophobicContact CB-CZ 3.68Å; A320-F364 WeakPolarHBondContact O-CE1 3.36Å; A320-L369 HydrophobicContact CB-CD1 3.71Å; A320-L369 VanDerWaalsContact N-CD1 3.33Å; A320-L400 HydrophobicContact CB-CD1 4.36Å; A320-L400 HydrophobicContact CB-CD2 3.5Å
321Y94.4Very high91.4Very high1 Ų131.4 Ų31.40%0.00414%0.144CC..Hα-helixtrans-61.3-49.4174.5-170.9-90.7000110.8L317 I318 A323 S324 Y325 H357 V418 L420 I423 L438L317-Y321 PolarHBondContact O-N 3.48Å; I318-Y321 WeakPolarHBondContact O-CB 3.28Å; I318-Y321 PolarHBondContact O-N 3.49Å; Y321-A323 VanDerWaalsContact C-N 3.33Å; Y321-A323 PolarHBondContact O-N 3.11Å; Y321-S324 PolarHBondContact O-N 2.92Å; Y321-S324 VanDerWaalsContact O-N 3.11Å; Y321-Y325 AromaticContact CD1-CD2 3.97Å; Y321-Y325 HydrophobicContact CD1-CD2 3.97Å; Y321-Y325 AromaticContact CD2-CD2 3.69Å; Y321-Y325 HydrophobicContact CD2-CD2 3.69Å; Y321-Y325 AromaticContact CD2-CE2 3.51Å; Y321-Y325 HydrophobicContact CD2-CE2 3.51Å; Y321-Y325 AromaticContact CE1-CD2 3.76Å; Y321-Y325 HydrophobicContact CE1-CD2 3.76Å; Y321-Y325 HydrophobicContact CE1-CE2 4.28Å; Y321-Y325 HydrophobicContact CE1-CG 4.21Å; Y321-Y325 AromaticContact CE2-CD2 3.49Å; Y321-Y325 HydrophobicContact CE2-CD2 3.49Å; Y321-Y325 VanDerWaalsContact CE2-CD2 3.49Å; Y321-Y325 AromaticContact CE2-CE2 3.14Å; Y321-Y325 HydrophobicContact CE2-CE2 3.14Å; Y321-Y325 HydrophobicContact CE2-CG 4.46Å; Y321-Y325 AromaticContact CE2-CZ 3.87Å; Y321-Y325 AromaticContact CG-CD2 3.93Å; Y321-Y325 HydrophobicContact CG-CD2 3.93Å; Y321-Y325 HydrophobicContact CG-CE2 4.23Å; Y321-Y325 AromaticContact CZ-CD2 3.5Å; Y321-Y325 AromaticContact CZ-CE2 3.56Å; Y321-Y325 WeakPolarHBondContact O-CD2 3.39Å; Y321-Y325 PolarHBondContact O-N 3.26Å; Y321-H357 PolarHBondContact OH-CE1 3.02Å; Y321-H357 VanDerWaalsContact OH-CE1 3.24Å; Y321-V418 HydrophobicContact CD2-CG2 3.77Å; Y321-V418 HydrophobicContact CE2-CG2 4.37Å; Y321-V418 WeakPolarHBondContact CE2-O 3.39Å; Y321-L420 HydrophobicContact CE1-CD1 4.04Å; Y321-L420 WeakPolarHBondContact OH-CA 3.18Å; Y321-L420 WeakPolarHBondContact OH-CB 3.38Å; Y321-L420 WeakPolarHBondContact OH-CD1 3.31Å; Y321-I423 HydrophobicContact CD1-CG1 4.44Å; Y321-I423 HydrophobicContact CD1-CG2 3.84Å; Y321-I423 HydrophobicContact CD2-CB 4.17Å; Y321-I423 HydrophobicContact CD2-CG1 4.4Å; Y321-I423 HydrophobicContact CD2-CG2 3.97Å; Y321-I423 HydrophobicContact CE1-CG2 3.83Å; Y321-I423 HydrophobicContact CE2-CG2 3.95Å; Y321-I423 HydrophobicContact CG-CB 4.2Å; Y321-I423 HydrophobicContact CG-CG1 4.01Å; Y321-I423 HydrophobicContact CG-CG2 3.92Å; Y321-L438 HydrophobicContact CD1-CD2 4.18Å; Y321-L438 HydrophobicContact CE1-CD1 4.25Å; Y321-L438 HydrophobicContact CE1-CD2 3.85Å
322L92.7Very high91.1Very high0 Ų033.3 Ų33.30%016%0.155CC..Hα-helixtrans-59.2-42.5175.9-72.3172.3000112.2I318 A319 S324 N326 F335 I372 V376 F432 I434 L438I318-L322 HydrophobicContact CG2-CD1 4.16Å; I318-L322 WeakPolarHBondContact O-CG 3.46Å; I318-L322 PolarHBondContact O-N 3.13Å; A319-L322 PolarHBondContact O-N 3.22Å; L322-S324 VanDerWaalsContact C-N 3.28Å; L322-S324 PolarHBondContact O-N 3.39Å; L322-N326 WeakPolarHBondContact O-CB 3.1Å; L322-N326 PolarHBondContact O-N 3.46Å; L322-F335 HydrophobicContact CB-CZ 4.19Å; L322-F335 HydrophobicContact CD1-CE1 4.06Å; L322-F335 HydrophobicContact CD1-CZ 3.94Å; L322-I372 HydrophobicContact CB-CG2 4.31Å; L322-I372 HydrophobicContact CD1-CG2 4.42Å; L322-V376 HydrophobicContact CD1-CG2 4.39Å; L322-F432 HydrophobicContact CD1-CE1 4.36Å; L322-I434 HydrophobicContact CD1-CD1 3.92Å; L322-I434 HydrophobicContact CD2-CD1 3.5Å; L322-I434 HydrophobicContact CG-CD1 3.62Å; L322-L438 HydrophobicContact CD2-CD2 3.87Å; L322-L438 HydrophobicContact CD2-CG 4.33Å
323A93.3Very high90.6Very high0 Ų035 Ų350%016%0.161CC..Hα-helixtrans-62.4-36.2176.700000112.2A319 A320 Y321 F364 R368 I372A319-A323 WeakPolarHBondContact O-CB 3.48Å; A319-A323 PolarHBondContact O-N 3.29Å; A320-A323 PolarHBondContact O-N 2.75Å; Y321-A323 VanDerWaalsContact C-N 3.33Å; Y321-A323 PolarHBondContact O-N 3.11Å; A323-F364 HydrophobicContact CB-CB 4.01Å; A323-F364 HydrophobicContact CB-CD1 3.76Å; A323-F364 HydrophobicContact CB-CD2 3.79Å; A323-F364 HydrophobicContact CB-CE1 4.18Å; A323-F364 HydrophobicContact CB-CE2 4.21Å; A323-F364 HydrophobicContact CB-CG 3.56Å; A323-F364 HydrophobicContact CB-CZ 4.4Å; A323-R368 VanDerWaalsContact O-CZ 3.26Å; A323-R368 PolarHBondContact O-NH1 3.28Å; A323-R368 PolarHBondContact O-NH2 3.39Å; A323-I372 HydrophobicContact CB-CD1 3.76Å
324S92.5Very high90.2Very high0 Ų036.2 Ų36.20%017%0.165CC..Hα-helixtrans-81.5-38-175.2-152.90000113.6A320 Y321 L322 P361 K362A320-S324 WeakPolarHBondContact O-CB 3.48Å; A320-S324 PolarHBondContact O-N 2.8Å; Y321-S324 PolarHBondContact O-N 2.92Å; Y321-S324 VanDerWaalsContact O-N 3.11Å; L322-S324 VanDerWaalsContact C-N 3.28Å; L322-S324 PolarHBondContact O-N 3.39Å; S324-P361 WeakPolarHBondContact OG-CA 3.48Å; S324-P361 WeakPolarHBondContact OG-CB 3.27Å; S324-K362 WeakPolarHBondContact CA-O 3.37Å; S324-K362 WeakPolarHBondContact O-CB 3.34Å; S324-K362 PolarHBondContact O-N 2.96Å; S324-K362 PolarHBondContact OG-N 2.9Å; S324-K362 VanDerWaalsContact OG-N 3.14Å; S324-K362 PolarHBondContact OG-O 3.48Å
325Y90.3Very high89.8Confident24 Ų2435.5 Ų35.59%0.09416%0.162CC..Hα-helixtrans-92.9-26.8-176.8-72.3-86.5000113.3Y321 H357 P361Y321-Y325 AromaticContact CD1-CD2 3.97Å; Y321-Y325 HydrophobicContact CD1-CD2 3.97Å; Y321-Y325 AromaticContact CD2-CD2 3.69Å; Y321-Y325 HydrophobicContact CD2-CD2 3.69Å; Y321-Y325 AromaticContact CD2-CE2 3.51Å; Y321-Y325 HydrophobicContact CD2-CE2 3.51Å; Y321-Y325 AromaticContact CE1-CD2 3.76Å; Y321-Y325 HydrophobicContact CE1-CD2 3.76Å; Y321-Y325 HydrophobicContact CE1-CE2 4.28Å; Y321-Y325 HydrophobicContact CE1-CG 4.21Å; Y321-Y325 AromaticContact CE2-CD2 3.49Å; Y321-Y325 HydrophobicContact CE2-CD2 3.49Å; Y321-Y325 VanDerWaalsContact CE2-CD2 3.49Å; Y321-Y325 AromaticContact CE2-CE2 3.14Å; Y321-Y325 HydrophobicContact CE2-CE2 3.14Å; Y321-Y325 HydrophobicContact CE2-CG 4.46Å; Y321-Y325 AromaticContact CE2-CZ 3.87Å; Y321-Y325 AromaticContact CG-CD2 3.93Å; Y321-Y325 HydrophobicContact CG-CD2 3.93Å; Y321-Y325 HydrophobicContact CG-CE2 4.23Å; Y321-Y325 AromaticContact CZ-CD2 3.5Å; Y321-Y325 AromaticContact CZ-CE2 3.56Å; Y321-Y325 WeakPolarHBondContact O-CD2 3.39Å; Y321-Y325 PolarHBondContact O-N 3.26Å; Y325-H357 AromaticContact CD1-CE1 3.49Å; Y325-H357 VanDerWaalsContact CD1-CE1 3.49Å; Y325-H357 WeakPolarHBondContact CD1-CE1 3.36Å; Y325-H357 AromaticContact CD1-CG 3.97Å; Y325-H357 AromaticContact CD1-ND1 3.23Å; Y325-H357 WeakPolarHBondContact CD1-ND1 3.17Å; Y325-H357 AromaticContact CE1-ND1 3.45Å; Y325-H357 WeakPolarHBondContact CE1-ND1 3.47Å; Y325-H357 AromaticContact CG-CE1 3.82Å; Y325-P361 HydrophobicContact CE2-CB 4.34Å
326N90.3Very high89.3Confident2 Ų239 Ų391%0.01118%0.183CC..SBendtrans-88.9139.5174.5-64.6-27.3000112.2L322 R368 Y437 Y439L322-N326 WeakPolarHBondContact O-CB 3.1Å; L322-N326 PolarHBondContact O-N 3.46Å; N326-R368 PolarHBondContact O-NH2 2.73Å; N326-Y437 PolarHBondContact ND2-O 3.05Å; N326-Y439 PolarHBondContact OD1-N 2.85Å
327P88.3Confident88Confident33 Ų3347.6 Ų47.621%0.21422%0.221CC..  trans-68.3139.9172.428.7-33000111.2R329 T330P327-R329 PolarHBondContact O-N 2.99Å; P327-T330 HydrophobicContact CG-CG2 3.74Å; P327-T330 PolarHBondContact O-N 3.03Å; P327-T330 PolarHBondContact O-OG1 3.14Å
328A87.4Confident86.2Confident61 Ų6156.5 Ų56.550%0.50426%0.262SS..G310 helixtrans-55.4-22.3-178.700000114.9T330 D331A328-T330 VanDerWaalsContact C-N 3.27Å; A328-T330 PolarHBondContact O-N 3.11Å; A328-D331 PolarHBondContact O-N 2.99Å
329R85.1Confident84.3Confident238 Ų23861.2 Ų61.290%0.89828%0.284SS*.G310 helixtrans-67-26.6176.4-61-178.6-176.6-176.8-0.5113P327P327-R329 PolarHBondContact O-N 2.99Å
330T85.7Confident82.3Confident16 Ų1664 Ų6410%0.09831%0.312CS..G310 helixtrans-88.9-11.4-177.256.30000113P327 A328 K332 R333 F334 Y439P327-T330 HydrophobicContact CG-CG2 3.74Å; P327-T330 PolarHBondContact O-N 3.03Å; P327-T330 PolarHBondContact O-OG1 3.14Å; A328-T330 VanDerWaalsContact C-N 3.27Å; A328-T330 PolarHBondContact O-N 3.11Å; T330-K332 PolarHBondContact O-N 3.39Å; T330-R333 WeakPolarHBondContact O-CA 3.41Å; T330-R333 WeakPolarHBondContact O-CB 3.48Å; T330-R333 PolarHBondContact O-N 2.72Å; T330-F334 HydrophobicContact CG2-CE2 4.48Å; T330-F334 VanDerWaalsContact O-CD2 3.27Å; T330-F334 WeakPolarHBondContact O-CD2 3.49Å; T330-F334 PolarHBondContact O-N 3.02Å; T330-Y439 HydrophobicContact CG2-CD2 3.46Å; T330-Y439 VanDerWaalsContact CG2-CD2 3.46Å; T330-Y439 HydrophobicContact CG2-CE2 3.66Å; T330-Y439 HydrophobicContact CG2-CG 4.23Å
331D87.3Confident80.1Confident28 Ų2874.2 Ų74.215%0.1536%0.357CS..Hα-helixtrans-56.8-39.6-177.6-62.6-10.4000112A328 R333 F334 F335 R368A328-D331 PolarHBondContact O-N 2.99Å; D331-R333 PolarHBondContact O-N 3.22Å; D331-F334 PolarHBondContact O-N 3.38Å; D331-F335 HydrophobicContact CB-CD2 4.02Å; D331-F335 WeakPolarHBondContact O-CB 3.25Å; D331-F335 WeakPolarHBondContact O-CD2 3.38Å; D331-F335 PolarHBondContact O-N 3.3Å; D331-R368 IonicContact OD1-CZ 3.37Å; D331-R368 IonicContact OD1-NE 2.69Å; D331-R368 IonicContact OD1-NH2 3.84Å; D331-R368 PolarHBondContact OD1-NH2 2.7Å; D331-R368 IonicContact OD2-CZ 2.99Å; D331-R368 IonicContact OD2-NE 3.36Å; D331-R368 PolarHBondContact OD2-NE 2.86Å; D331-R368 IonicContact OD2-NH2 3.36Å; D331-R368 PolarHBondContact OD2-NH2 2.69Å
332K84.3Confident78.1Confident158 Ų15879.3 Ų79.369%0.68738%0.383SS*.Hα-helixtrans-61.3-31175.8-69.6-173.9178.9-177.30113.3T330 V336T330-K332 PolarHBondContact O-N 3.39Å; K332-V336 WeakPolarHBondContact O-CB 3.06Å
333R82.6Confident76Confident122 Ų12288.1 Ų88.146%0.4642%0.421SS..Hα-helixtrans-75.8-36.2178.8-179-177.1174.1-166.4-4.8111.3T330 D331 I342T330-R333 WeakPolarHBondContact O-CA 3.41Å; T330-R333 WeakPolarHBondContact O-CB 3.48Å; T330-R333 PolarHBondContact O-N 2.72Å; D331-R333 PolarHBondContact O-N 3.22Å; R333-I342 HydrophobicContact CB-CD1 4.13Å; R333-I342 HydrophobicContact CG-CD1 4.46Å
334F82.8Confident73.8Confident31 Ų3197.6 Ų97.614%0.13646%0.462CS..Hα-helixtrans-92.6-36-172.3-70.6-61.1000114.4T330 D331 Y437 Y439 L442T330-F334 HydrophobicContact CG2-CE2 4.48Å; T330-F334 VanDerWaalsContact O-CD2 3.27Å; T330-F334 WeakPolarHBondContact O-CD2 3.49Å; T330-F334 PolarHBondContact O-N 3.02Å; D331-F334 PolarHBondContact O-N 3.38Å; F334-Y437 HydrophobicContact CB-CD1 4.31Å; F334-Y439 HydrophobicContact CE2-CD2 4.42Å; F334-L442 HydrophobicContact CE1-CD1 3.29Å; F334-L442 HydrophobicContact CZ-CD1 3.37Å
335F84.1Confident71.6Confident24 Ų24103 Ų10311%0.10550%0.495CS..Hα-helixtrans-112.8-9.3-166.1-57.1-62.4000114L322 D331 I372 S375 V376 Y437L322-F335 HydrophobicContact CB-CZ 4.19Å; L322-F335 HydrophobicContact CD1-CE1 4.06Å; L322-F335 HydrophobicContact CD1-CZ 3.94Å; D331-F335 HydrophobicContact CB-CD2 4.02Å; D331-F335 WeakPolarHBondContact O-CB 3.25Å; D331-F335 WeakPolarHBondContact O-CD2 3.38Å; D331-F335 PolarHBondContact O-N 3.3Å; F335-I372 HydrophobicContact CD1-CG2 4.29Å; F335-I372 HydrophobicContact CD2-CD1 4.46Å; F335-I372 HydrophobicContact CD2-CG1 3.9Å; F335-I372 HydrophobicContact CE1-CG2 3.78Å; F335-I372 HydrophobicContact CE2-CD1 3.98Å; F335-I372 HydrophobicContact CE2-CG1 3.82Å; F335-I372 HydrophobicContact CE2-CG2 4.16Å; F335-I372 HydrophobicContact CG-CG1 4.42Å; F335-I372 HydrophobicContact CZ-CD1 4.47Å; F335-I372 HydrophobicContact CZ-CG1 4.26Å; F335-I372 HydrophobicContact CZ-CG2 3.72Å; F335-S375 WeakPolarHBondContact CA-OG 3.4Å; F335-S375 WeakPolarHBondContact CB-OG 3.27Å; F335-S375 PolarHBondContact O-OG 2.88Å; F335-V376 HydrophobicContact CD1-CG2 4.01Å; F335-V376 HydrophobicContact CE1-CG2 3.71Å; F335-Y437 HydrophobicContact CD1-CD1 4.37Å; F335-Y437 AromaticContact CE1-CD1 3.77Å; F335-Y437 HydrophobicContact CE1-CD1 3.77Å; F335-Y437 HydrophobicContact CE1-CE1 4.29Å; F335-Y437 HydrophobicContact CZ-CD1 4.41Å
336V82.1Confident69.4Low80 Ų80109.3 Ų109.349%0.48553%0.531SS..  trans-99.4112.6178.4-177.60000110.5K332 H338 H339K332-V336 WeakPolarHBondContact O-CB 3.06Å; V336-H338 PolarHBondContact O-N 3.42Å; V336-H339 PolarHBondContact O-N 3.11Å
337K68.1Low67.3Low182 Ų182117.8 Ų117.879%0.79157%0.568SS**THydrogen-bonded Turntrans-63.4128.7170.6-65.4-179.9-179.2176.80108.7
338H55.9Low65.2Low187 Ų187122.9 Ų122.987%0.86659%0.593SS**THydrogen-bonded Turntrans64.243.6-170.1-54.2-83.4000115.3V336 G340V336-H338 PolarHBondContact O-N 3.42Å; H338-G340 PolarHBondContact O-N 2.99Å
339H54.3Low63.6Low98 Ų98129 Ų12945%0.45461%0.608SS.*  trans-51.6115.5157.867.1-25.7000109.2V336V336-H339 PolarHBondContact O-N 3.11Å
340G51.7Low61.7Low58 Ų58125.6 Ų125.660%0.59860%0.6SS**  trans-56.2165.2173.200000110.5H338 I342H338-G340 PolarHBondContact O-N 2.99Å; G340-I342 PolarHBondContact O-N 2.7Å
341K48.9Very low59.7Low215 Ų215130.5 Ų130.594%0.93563%0.625SS**  trans-54.8102.8174.3-69.9-178.3-179.2177.10109K343K341-K343 PolarHBondContact O-N 3.3Å
342I52.8Low58Low109 Ų109137.9 Ų137.956%0.55966%0.659SS**  trans-61114.1170.8-64170000104.9R333 G340 K344R333-I342 HydrophobicContact CB-CD1 4.13Å; R333-I342 HydrophobicContact CG-CD1 4.46Å; G340-I342 PolarHBondContact O-N 2.7Å; I342-K344 PolarHBondContact O-N 3.39Å
343K47.4Very low56.8Low185 Ų185137.9 Ų137.980%0.80466%0.659SS**  trans-53.4113.4174.2-76.1-176.4177.6-179.80106.4K341 T345K341-K343 PolarHBondContact O-N 3.3Å; K343-T345 PolarHBondContact O-N 2.75Å
344K48.6Very low55.8Low198 Ų198136.2 Ų136.286%0.86166%0.662SS**  trans-64.581.7168.9-70.9-174.8178-177.80106.8I342 N346I342-K344 PolarHBondContact O-N 3.39Å; K344-N346 PolarHBondContact O-N 3.36Å
345T45.5Very low55Low113 Ų113137 Ų13769%0.69367%0.671SS**  trans-64.4121.4157.147.70000104.6K343 F347K343-T345 PolarHBondContact O-N 2.75Å; T345-F347 PolarHBondContact O-N 3.45Å
346N44Very low54.5Low157 Ų157136.9 Ų136.984%0.8467%0.672SS**  trans-59.382.1175.9-77.5-21.9000108.8K344 L348K344-N346 PolarHBondContact O-N 3.36Å; N346-L348 VanDerWaalsContact C-N 3.25Å; N346-L348 PolarHBondContact O-N 3.38Å
347F46.3Very low54.4Low181 Ų181135.5 Ų135.579%0.79466%0.66SS**  trans-79.691.8165.6-140.8-92.4000104.9T345 K349T345-F347 PolarHBondContact O-N 3.45Å; F347-K349 PolarHBondContact O-N 2.82Å
348L45Very low55.1Low139 Ų139133.5 Ų133.573%0.72866%0.658SS**  trans-32.8130.3157-77.3141.3000108.4N346 K350N346-L348 VanDerWaalsContact C-N 3.25Å; N346-L348 PolarHBondContact O-N 3.38Å; L348-K350 PolarHBondContact O-N 3.34Å
349K53.2Low56.4Low190 Ų190129.6 Ų129.683%0.82664%0.643SS**  trans-57.162169.3-65.7179.3173-171.90110.5F347 N351F347-K349 PolarHBondContact O-N 2.82Å; K349-N351 PolarHBondContact O-N 3.34Å
350K44Very low57.9Low167 Ų167125.9 Ų125.973%0.72663%0.631SS**  trans-95.992.9-178.8-138.2174.6-176.8179.80105.7L348L348-K350 PolarHBondContact O-N 3.34Å
351N44.7Very low59.8Low119 Ų119125.3 Ų125.364%0.63662%0.617SS**  trans85.789.8-172.8-46.5-3.1000111.1K349 K353K349-N351 PolarHBondContact O-N 3.34Å; N351-K353 HydrophobicContact CB-CG 3.7Å; N351-K353 PolarHBondContact O-N 3.38Å
352E51.7Low61.8Low182 Ų182118.5 Ų118.585%0.8559%0.587SS**  trans-50.379.3136.9-96.3171.7167.300106.8T354E352-T354 VanDerWaalsContact C-N 3.33Å; E352-T354 PolarHBondContact O-N 3.05Å
353K58.3Low63.7Low159 Ų159116.6 Ų116.669%0.69158%0.581SS**  trans-65.4105.8166.7-66.3175.7-177.8-177.90102.3N351 S355N351-K353 HydrophobicContact CB-CG 3.7Å; N351-K353 PolarHBondContact O-N 3.38Å; K353-S355 PolarHBondContact O-N 3.04Å
354T61.4Low65.8Low86 Ų86107.8 Ų107.853%0.52854%0.543SS..  trans11.4113.2145.343.50000112E352 N356 L359E352-T354 VanDerWaalsContact C-N 3.33Å; E352-T354 PolarHBondContact O-N 3.05Å; T354-N356 PolarHBondContact O-N 3.49Å; T354-L359 HydrophobicContact CG2-CD1 4.49Å; T354-L359 WeakPolarHBondContact O-CD1 3.48Å; T354-L359 WeakPolarHBondContact OG1-CD1 3.35Å
355S67.6Low68Low47 Ų47101 Ų10133%0.32952%0.519SS..  trans-44.9142.5-173.154.40000111.4K353 H357 L358 L359K353-S355 PolarHBondContact O-N 3.04Å; S355-H357 PolarHBondContact O-N 3.29Å; S355-H357 VanDerWaalsContact O-N 3.1Å; S355-L358 WeakPolarHBondContact O-CA 3.21Å; S355-L358 WeakPolarHBondContact O-CB 3.27Å; S355-L358 PolarHBondContact O-N 3.29Å; S355-L358 VanDerWaalsContact OG-CD1 3.25Å; S355-L358 WeakPolarHBondContact OG-CD1 3.34Å; S355-L358 WeakPolarHBondContact OG-CG 3.48Å; S355-L359 PolarHBondContact O-N 3.35Å
356N72.3Confident70.1Confident23 Ų2397 Ų9712%0.12349%0.494CS..Hα-helixtrans-60.5-28.1-176.1-64.9-66.1000110.6T354 L358 L359 G360 K362 D440T354-N356 PolarHBondContact O-N 3.49Å; N356-L358 VanDerWaalsContact C-N 3.35Å; N356-L358 PolarHBondContact O-N 2.79Å; N356-L359 PolarHBondContact O-N 2.9Å; N356-G360 PolarHBondContact O-N 3.4Å; N356-G360 VanDerWaalsContact O-N 3.13Å; N356-K362 PolarHBondContact OD1-NZ 2.94Å; N356-D440 PolarHBondContact N-OD2 3.42Å; N356-D440 PolarHBondContact ND2-OD1 3.41Å
357H80.3Confident72.4Confident51 Ų5195.5 Ų95.524%0.23649%0.486CS..Hα-helixtrans-63.4-31.8170.9-69-73.8000114.5Y321 Y325 S355 D440 F441Y321-H357 PolarHBondContact OH-CE1 3.02Å; Y321-H357 VanDerWaalsContact OH-CE1 3.24Å; Y325-H357 AromaticContact CD1-CE1 3.49Å; Y325-H357 VanDerWaalsContact CD1-CE1 3.49Å; Y325-H357 WeakPolarHBondContact CD1-CE1 3.36Å; Y325-H357 AromaticContact CD1-CG 3.97Å; Y325-H357 AromaticContact CD1-ND1 3.23Å; Y325-H357 WeakPolarHBondContact CD1-ND1 3.17Å; Y325-H357 AromaticContact CE1-ND1 3.45Å; Y325-H357 WeakPolarHBondContact CE1-ND1 3.47Å; Y325-H357 AromaticContact CG-CE1 3.82Å; S355-H357 PolarHBondContact O-N 3.29Å; S355-H357 VanDerWaalsContact O-N 3.1Å; H357-D440 IonicContact CD2-OD2 2.86Å; H357-D440 PolarHBondContact CD2-OD2 2.72Å; H357-D440 VanDerWaalsContact CD2-OD2 3.24Å; H357-F441 AromaticContact NE2-CE2 3.66Å
358L83.1Confident74.6Confident140 Ų14088.5 Ų88.573%0.73345%0.454SS*.Hα-helixtrans-79.6-27.4174.4-69.4172.5000112.7S355 N356 G360S355-L358 WeakPolarHBondContact O-CA 3.21Å; S355-L358 WeakPolarHBondContact O-CB 3.27Å; S355-L358 PolarHBondContact O-N 3.29Å; S355-L358 VanDerWaalsContact OG-CD1 3.25Å; S355-L358 WeakPolarHBondContact OG-CD1 3.34Å; S355-L358 WeakPolarHBondContact OG-CG 3.48Å; N356-L358 VanDerWaalsContact C-N 3.35Å; N356-L358 PolarHBondContact O-N 2.79Å; L358-G360 VanDerWaalsContact C-N 3.32Å
359L84.3Confident76.9Confident105 Ų10581.9 Ų81.955%0.5542%0.419SS..Hα-helixtrans-76.5-22.7175.2-96.769000113T354 S355 N356T354-L359 HydrophobicContact CG2-CD1 4.49Å; T354-L359 WeakPolarHBondContact O-CD1 3.48Å; T354-L359 WeakPolarHBondContact OG1-CD1 3.35Å; S355-L359 PolarHBondContact O-N 3.35Å; N356-L359 PolarHBondContact O-N 2.9Å
360G85.1Confident78.7Confident20 Ų2073.8 Ų73.821%0.20639%0.385CS..  trans87.4178.3-176.100000114.3N356 L358N356-G360 PolarHBondContact O-N 3.4Å; N356-G360 VanDerWaalsContact O-N 3.13Å; L358-G360 VanDerWaalsContact C-N 3.32Å
361P90.9Very high80.9Confident46 Ų4668.9 Ų68.930%0.29938%0.375SS..PPolyproline II helixtrans-69.2128.4-170.125.6-34000113.1S324 Y325 C416S324-P361 WeakPolarHBondContact OG-CA 3.48Å; S324-P361 WeakPolarHBondContact OG-CB 3.27Å; Y325-P361 HydrophobicContact CE2-CB 4.34Å; P361-C416 VanDerWaalsContact CB-O 3.25Å; P361-C416 WeakPolarHBondContact CB-O 3.3Å; P361-C416 WeakPolarHBondContact CG-O 3.35Å
362K90.9Very high83.2Confident71 Ų7163.4 Ų63.431%0.30935%0.346SS..PPolyproline II helixtrans-86.2144.3177-62.9175.5-173.1164.60111.3S324 N356S324-K362 WeakPolarHBondContact CA-O 3.37Å; S324-K362 WeakPolarHBondContact O-CB 3.34Å; S324-K362 PolarHBondContact O-N 2.96Å; S324-K362 PolarHBondContact OG-N 2.9Å; S324-K362 VanDerWaalsContact OG-N 3.14Å; S324-K362 PolarHBondContact OG-O 3.48Å; N356-K362 PolarHBondContact OD1-NZ 2.94Å
363P92.6Very high85.2Confident69 Ų6954.7 Ų54.745%0.44831%0.305SS..PPolyproline II helixtrans-68.3140.8175.529.1-32.5000110.8Y414 K415P363-Y414 CarbonylContact C-O 3.5Å; P363-Y414 VanDerWaalsContact CA-O 3.3Å; P363-Y414 WeakPolarHBondContact CA-O 3.44Å; P363-K415 HydrophobicContact CB-CG 4.1Å
364F93.1Very high86.7Confident1 Ų150.9 Ų50.90%0.00429%0.287CS..EExtended strand (participates in β ladder)trans-133147.817758.2-91.7000111A320 A323 L369 K413 Y414A320-F364 HydrophobicContact CB-CE1 4.43Å; A320-F364 HydrophobicContact CB-CE2 4.38Å; A320-F364 HydrophobicContact CB-CZ 3.68Å; A320-F364 WeakPolarHBondContact O-CE1 3.36Å; A323-F364 HydrophobicContact CB-CB 4.01Å; A323-F364 HydrophobicContact CB-CD1 3.76Å; A323-F364 HydrophobicContact CB-CD2 3.79Å; A323-F364 HydrophobicContact CB-CE1 4.18Å; A323-F364 HydrophobicContact CB-CE2 4.21Å; A323-F364 HydrophobicContact CB-CG 3.56Å; A323-F364 HydrophobicContact CB-CZ 4.4Å; F364-L369 HydrophobicContact CD2-CB 4.06Å; F364-L369 HydrophobicContact CE2-CB 3.79Å; F364-L369 HydrophobicContact CE2-CD1 4.22Å; F364-L369 HydrophobicContact CE2-CD2 4.18Å; F364-L369 HydrophobicContact CE2-CG 4.28Å; F364-K413 WeakPolarHBondContact O-CA 3.31Å; F364-Y414 VanDerWaalsContact CD1-O 3.31Å; F364-Y414 WeakPolarHBondContact CD1-O 3.42Å; F364-Y414 WeakPolarHBondContact CE1-O 3.49Å; F364-Y414 PolarHBondContact N-O 3.21Å; F364-Y414 PolarHBondContact O-N 3.23Å
365P93.4Very high88Confident55 Ų5548.9 Ų48.936%0.35728%0.276SS..EExtended strand (participates in β ladder)trans-76.6156.2176.631.9-34.4000111.6D367 R368 L369P365-D367 VanDerWaalsContact C-N 3.27Å; P365-D367 PolarHBondContact O-N 2.79Å; P365-R368 HydrophobicContact CG-CB 3.81Å; P365-R368 PolarHBondContact O-N 2.9Å; P365-R368 VanDerWaalsContact O-N 3.14Å; P365-L369 PolarHBondContact O-N 2.89Å
366L91.1Very high89Confident29 Ų2947 Ų4715%0.15226%0.263CS..Hα-helixtrans-53-41.7176.4-17857000113.1R368 L369 L370 F388 I391 P412 Y414L366-R368 VanDerWaalsContact C-N 3.26Å; L366-R368 PolarHBondContact O-N 3.21Å; L366-L369 HydrophobicContact CD1-CD2 4.36Å; L366-L369 WeakPolarHBondContact O-CB 3.41Å; L366-L369 PolarHBondContact O-N 3.39Å; L366-L369 VanDerWaalsContact O-N 3.09Å; L366-L370 HydrophobicContact CD1-CD1 4.31Å; L366-L370 HydrophobicContact CD1-CG 4.2Å; L366-L370 HydrophobicContact CG-CD1 4.16Å; L366-L370 HydrophobicContact CG-CG 4.44Å; L366-L370 PolarHBondContact O-N 2.85Å; L366-F388 HydrophobicContact CD2-CD1 4.45Å; L366-F388 HydrophobicContact CD2-CE1 4.17Å; L366-I391 HydrophobicContact CD1-CD1 3.84Å; L366-P412 HydrophobicContact CB-CG 4.16Å; L366-P412 HydrophobicContact CD2-CG 4.11Å; L366-P412 PolarHBondContact N-O 3.11Å; L366-Y414 HydrophobicContact CB-CE2 4.04Å; L366-Y414 HydrophobicContact CD1-CE2 3.93Å; L366-Y414 HydrophobicContact CG-CE2 4.46Å
367D90.9Very high89.7Confident126 Ų12646.3 Ų46.367%0.67426%0.26SS*.Hα-helixtrans-60.2-38.8-178.8-55.9-32.7000112.2P365 L370 A371P365-D367 VanDerWaalsContact C-N 3.27Å; P365-D367 PolarHBondContact O-N 2.79Å; D367-L370 PolarHBondContact O-N 2.81Å; D367-A371 VanDerWaalsContact O-CB 3.31Å; D367-A371 WeakPolarHBondContact O-CB 3.43Å; D367-A371 PolarHBondContact O-N 2.96Å
368R92.8Very high89.6Confident33 Ų3351.2 Ų51.213%0.12529%0.288CS..Hα-helixtrans-68.2-39177.7-175.5177.6-179.8-138.4-11.7111.2A323 N326 D331 P365 L366 I372A323-R368 VanDerWaalsContact O-CZ 3.26Å; A323-R368 PolarHBondContact O-NH1 3.28Å; A323-R368 PolarHBondContact O-NH2 3.39Å; N326-R368 PolarHBondContact O-NH2 2.73Å; D331-R368 IonicContact OD1-CZ 3.37Å; D331-R368 IonicContact OD1-NE 2.69Å; D331-R368 IonicContact OD1-NH2 3.84Å; D331-R368 PolarHBondContact OD1-NH2 2.7Å; D331-R368 IonicContact OD2-CZ 2.99Å; D331-R368 IonicContact OD2-NE 3.36Å; D331-R368 PolarHBondContact OD2-NE 2.86Å; D331-R368 IonicContact OD2-NH2 3.36Å; D331-R368 PolarHBondContact OD2-NH2 2.69Å; P365-R368 HydrophobicContact CG-CB 3.81Å; P365-R368 PolarHBondContact O-N 2.9Å; P365-R368 VanDerWaalsContact O-N 3.14Å; L366-R368 VanDerWaalsContact C-N 3.26Å; L366-R368 PolarHBondContact O-N 3.21Å; R368-I372 HydrophobicContact CG-CD1 4.03Å; R368-I372 VanDerWaalsContact O-CG1 3.31Å; R368-I372 WeakPolarHBondContact O-CG1 3.31Å; R368-I372 PolarHBondContact O-N 2.87Å; R368-I372 VanDerWaalsContact O-N 3.07Å
369L93.4Very high89.4Confident0 Ų047.1 Ų47.10%027%0.271CS..Hα-helixtrans-60.3-51.5174.717361.5000111A319 A320 F364 P365 L366 A371 I372 F373 I391A319-L369 HydrophobicContact CB-CD1 3.88Å; A320-L369 HydrophobicContact CB-CD1 3.71Å; A320-L369 VanDerWaalsContact N-CD1 3.33Å; F364-L369 HydrophobicContact CD2-CB 4.06Å; F364-L369 HydrophobicContact CE2-CB 3.79Å; F364-L369 HydrophobicContact CE2-CD1 4.22Å; F364-L369 HydrophobicContact CE2-CD2 4.18Å; F364-L369 HydrophobicContact CE2-CG 4.28Å; P365-L369 PolarHBondContact O-N 2.89Å; L366-L369 HydrophobicContact CD1-CD2 4.36Å; L366-L369 WeakPolarHBondContact O-CB 3.41Å; L366-L369 PolarHBondContact O-N 3.39Å; L366-L369 VanDerWaalsContact O-N 3.09Å; L369-A371 VanDerWaalsContact C-N 3.33Å; L369-A371 PolarHBondContact O-N 2.98Å; L369-I372 PolarHBondContact O-N 3.41Å; L369-F373 VanDerWaalsContact O-CB 3.31Å; L369-F373 WeakPolarHBondContact O-CB 3.2Å; L369-F373 PolarHBondContact O-N 3.37Å; L369-I391 HydrophobicContact CD2-CD1 4.09Å; L369-I391 HydrophobicContact CD2-CG1 4.36Å; L369-I391 HydrophobicContact CD2-CG2 4.43Å
370L91.1Very high89.1Confident21 Ų2154.4 Ų54.411%0.1129%0.291CS..Hα-helixtrans-63.4-40.1-179.1-67.2177.2000111.6L366 D367 I372 F373 Y374 I387 F388 I391L366-L370 HydrophobicContact CD1-CD1 4.31Å; L366-L370 HydrophobicContact CD1-CG 4.2Å; L366-L370 HydrophobicContact CG-CD1 4.16Å; L366-L370 HydrophobicContact CG-CG 4.44Å; L366-L370 PolarHBondContact O-N 2.85Å; D367-L370 PolarHBondContact O-N 2.81Å; L370-I372 PolarHBondContact O-N 3.25Å; L370-F373 PolarHBondContact O-N 2.91Å; L370-Y374 HydrophobicContact CB-CD2 4.37Å; L370-Y374 HydrophobicContact CB-CE2 4.05Å; L370-Y374 WeakPolarHBondContact O-CD2 3.33Å; L370-Y374 PolarHBondContact O-N 3.5Å; L370-I387 HydrophobicContact CD2-CG2 4.33Å; L370-F388 HydrophobicContact CD1-CE1 3.89Å; L370-F388 HydrophobicContact CD1-CZ 4.13Å; L370-I391 HydrophobicContact CD2-CD1 4.01Å
371A91.1Very high88.9Confident63 Ų6354.7 Ų54.752%0.52129%0.288SS..Hα-helixtrans-61-43.9176.200000112.4D367 L369 S375D367-A371 VanDerWaalsContact O-CB 3.31Å; D367-A371 WeakPolarHBondContact O-CB 3.43Å; D367-A371 PolarHBondContact O-N 2.96Å; L369-A371 VanDerWaalsContact C-N 3.33Å; L369-A371 PolarHBondContact O-N 2.98Å; A371-S375 WeakPolarHBondContact O-CB 3.22Å; A371-S375 PolarHBondContact O-N 3.39Å; A371-S375 VanDerWaalsContact O-N 3.16Å
372I92.4Very high88.5Confident4 Ų455.5 Ų55.52%0.02130%0.299CS..Hα-helixtrans-68.6-43.2176.5-66.4169.1000110.2A319 L322 A323 F335 R368 L369 L370 Y374 S375 V376A319-I372 HydrophobicContact CB-CB 4.22Å; A319-I372 HydrophobicContact CB-CG2 3.73Å; L322-I372 HydrophobicContact CB-CG2 4.31Å; L322-I372 HydrophobicContact CD1-CG2 4.42Å; A323-I372 HydrophobicContact CB-CD1 3.76Å; F335-I372 HydrophobicContact CD1-CG2 4.29Å; F335-I372 HydrophobicContact CD2-CD1 4.46Å; F335-I372 HydrophobicContact CD2-CG1 3.9Å; F335-I372 HydrophobicContact CE1-CG2 3.78Å; F335-I372 HydrophobicContact CE2-CD1 3.98Å; F335-I372 HydrophobicContact CE2-CG1 3.82Å; F335-I372 HydrophobicContact CE2-CG2 4.16Å; F335-I372 HydrophobicContact CG-CG1 4.42Å; F335-I372 HydrophobicContact CZ-CD1 4.47Å; F335-I372 HydrophobicContact CZ-CG1 4.26Å; F335-I372 HydrophobicContact CZ-CG2 3.72Å; R368-I372 HydrophobicContact CG-CD1 4.03Å; R368-I372 VanDerWaalsContact O-CG1 3.31Å; R368-I372 WeakPolarHBondContact O-CG1 3.31Å; R368-I372 PolarHBondContact O-N 2.87Å; R368-I372 VanDerWaalsContact O-N 3.07Å; L369-I372 PolarHBondContact O-N 3.41Å; L370-I372 PolarHBondContact O-N 3.25Å; I372-Y374 PolarHBondContact O-N 3.45Å; I372-S375 WeakPolarHBondContact O-CB 3.26Å; I372-S375 PolarHBondContact O-N 2.92Å; I372-S375 VanDerWaalsContact O-N 3.11Å; I372-V376 HydrophobicContact CG2-CG2 4.04Å; I372-V376 WeakPolarHBondContact O-CB 3.33Å; I372-V376 VanDerWaalsContact O-CG2 3.26Å; I372-V376 WeakPolarHBondContact O-CG2 3.48Å; I372-V376 PolarHBondContact O-N 3.37Å
373F92.8Very high88.2Confident0 Ų056.4 Ų56.40%031%0.312CS..Hα-helixtrans-56.4-52177.4170.7-104.4000111.9Y312 F315 L316 A319 L369 L370 S375 V376 V377 V381 I387Y312-F373 HydrophobicContact CD1-CE2 4.42Å; Y312-F373 AromaticContact CD1-CZ 3.95Å; Y312-F373 HydrophobicContact CD1-CZ 3.95Å; F315-F373 HydrophobicContact CB-CD2 4.02Å; F315-F373 HydrophobicContact CB-CE2 3.76Å; L316-F373 HydrophobicContact CB-CD2 4.43Å; L316-F373 HydrophobicContact CD2-CB 4.19Å; L316-F373 HydrophobicContact CD2-CD1 4.15Å; L316-F373 HydrophobicContact CD2-CD2 3.55Å; L316-F373 HydrophobicContact CD2-CE1 4.44Å; L316-F373 HydrophobicContact CD2-CE2 3.87Å; L316-F373 HydrophobicContact CD2-CG 3.7Å; L316-F373 HydrophobicContact CD2-CZ 4.3Å; L316-F373 HydrophobicContact CG-CD2 3.76Å; L316-F373 HydrophobicContact CG-CE2 3.69Å; L316-F373 HydrophobicContact CG-CG 4.4Å; L316-F373 HydrophobicContact CG-CZ 4.3Å; A319-F373 HydrophobicContact CB-CB 3.98Å; L369-F373 VanDerWaalsContact O-CB 3.31Å; L369-F373 WeakPolarHBondContact O-CB 3.2Å; L369-F373 PolarHBondContact O-N 3.37Å; L370-F373 PolarHBondContact O-N 2.91Å; F373-S375 PolarHBondContact O-N 2.87Å; F373-V376 PolarHBondContact O-N 2.97Å; F373-V377 HydrophobicContact CD2-CG2 3.79Å; F373-V377 HydrophobicContact CE2-CG2 3.54Å; F373-V377 HydrophobicContact CG-CG2 4.42Å; F373-V377 HydrophobicContact CZ-CG2 3.95Å; F373-V377 WeakPolarHBondContact O-CB 3.41Å; F373-V377 VanDerWaalsContact O-CG2 3.31Å; F373-V377 WeakPolarHBondContact O-CG2 3.4Å; F373-V377 PolarHBondContact O-N 3.36Å; F373-V381 HydrophobicContact CE1-CG1 4.33Å; F373-I387 HydrophobicContact CE1-CD1 4.39Å
374Y90.7Very high88.1Confident79 Ų7956.1 Ų56.131%0.3131%0.309SS..Hα-helixtrans-67.6-20.6178.1-65.2-49.8000113.7L370 I372 V381 P383L370-Y374 HydrophobicContact CB-CD2 4.37Å; L370-Y374 HydrophobicContact CB-CE2 4.05Å; L370-Y374 WeakPolarHBondContact O-CD2 3.33Å; L370-Y374 PolarHBondContact O-N 3.5Å; I372-Y374 PolarHBondContact O-N 3.45Å; Y374-V381 HydrophobicContact CD1-CB 4.34Å; Y374-V381 HydrophobicContact CE1-CB 4.06Å; Y374-V381 HydrophobicContact CE1-CG1 4.29Å; Y374-V381 WeakPolarHBondContact CE1-O 3.48Å; Y374-P383 WeakPolarHBondContact OH-CA 3.41Å; Y374-P383 WeakPolarHBondContact OH-CB 3.48Å
375S88.9Confident87.8Confident43 Ų4360.1 Ų60.130%0.30134%0.342SS..Hα-helixtrans-80.4-31.1173.3177.30000113.2F335 A371 I372 F373F335-S375 WeakPolarHBondContact CA-OG 3.4Å; F335-S375 WeakPolarHBondContact CB-OG 3.27Å; F335-S375 PolarHBondContact O-OG 2.88Å; A371-S375 WeakPolarHBondContact O-CB 3.22Å; A371-S375 PolarHBondContact O-N 3.39Å; A371-S375 VanDerWaalsContact O-N 3.16Å; I372-S375 WeakPolarHBondContact O-CB 3.26Å; I372-S375 PolarHBondContact O-N 2.92Å; I372-S375 VanDerWaalsContact O-N 3.11Å; F373-S375 PolarHBondContact O-N 2.87Å
376V87.8Confident87.6Confident8 Ų860.5 Ų60.55%0.04835%0.346CS..Hα-helixtrans-91.5-29.7-172.9172.30000111.4F315 L322 F335 I372 F373 F432F315-V376 HydrophobicContact CD1-CG1 3.82Å; F315-V376 HydrophobicContact CE1-CG1 3.95Å; L322-V376 HydrophobicContact CD1-CG2 4.39Å; F335-V376 HydrophobicContact CD1-CG2 4.01Å; F335-V376 HydrophobicContact CE1-CG2 3.71Å; I372-V376 HydrophobicContact CG2-CG2 4.04Å; I372-V376 WeakPolarHBondContact O-CB 3.33Å; I372-V376 VanDerWaalsContact O-CG2 3.26Å; I372-V376 WeakPolarHBondContact O-CG2 3.48Å; I372-V376 PolarHBondContact O-N 3.37Å; F373-V376 PolarHBondContact O-N 2.97Å; V376-F432 HydrophobicContact CG1-CD2 3.91Å; V376-F432 HydrophobicContact CG1-CE1 4.13Å; V376-F432 HydrophobicContact CG1-CE2 3.41Å; V376-F432 VanDerWaalsContact CG1-CE2 3.41Å; V376-F432 HydrophobicContact CG1-CG 4.48Å; V376-F432 HydrophobicContact CG1-CZ 3.51Å; V376-F432 HydrophobicContact CG2-CZ 4.26Å
377V87.7Confident87.5Confident8 Ų859.2 Ų59.25%0.04834%0.34CS..  trans-78.1124.5175.4177.50000109.8Y312 F315 F373 S379 V381Y312-V377 HydrophobicContact CE1-CG1 4.47Å; F315-V377 HydrophobicContact CB-CG2 3.68Å; F315-V377 HydrophobicContact CD1-CG2 3.76Å; F315-V377 HydrophobicContact CD2-CG2 4.45Å; F315-V377 HydrophobicContact CG-CG2 3.71Å; F373-V377 HydrophobicContact CD2-CG2 3.79Å; F373-V377 HydrophobicContact CE2-CG2 3.54Å; F373-V377 HydrophobicContact CG-CG2 4.42Å; F373-V377 HydrophobicContact CZ-CG2 3.95Å; F373-V377 WeakPolarHBondContact O-CB 3.41Å; F373-V377 VanDerWaalsContact O-CG2 3.31Å; F373-V377 WeakPolarHBondContact O-CG2 3.4Å; F373-V377 PolarHBondContact O-N 3.36Å; V377-S379 VanDerWaalsContact C-N 3.26Å; V377-S379 VanDerWaalsContact CG1-OG 3.26Å; V377-S379 WeakPolarHBondContact CG1-OG 3.35Å; V377-S379 PolarHBondContact O-N 3.33Å; V377-V381 HydrophobicContact CG1-CG2 3.83Å
378D77Confident87.4Confident155 Ų15557.5 Ų57.583%0.82933%0.326SS*.SBendtrans-70.4-20.8-179.1-71.9-39.8000113.4
379S79.2Confident87.4Confident53 Ų5359.3 Ų59.337%0.37134%0.344SS..SBendtrans-89.1146178.563.20000112.8V377 V381V377-S379 VanDerWaalsContact C-N 3.26Å; V377-S379 VanDerWaalsContact CG1-OG 3.26Å; V377-S379 WeakPolarHBondContact CG1-OG 3.35Å; V377-S379 PolarHBondContact O-N 3.33Å; S379-V381 PolarHBondContact O-N 3.09Å; S379-V381 WeakPolarHBondContact OG-CG2 3.13Å
380R78.4Confident87.3Confident259 Ų25961.2 Ų61.298%0.97735%0.353SS*.  trans-7498.3170.9-68.4-172.1-175.1-172.52.5109.2
381V81Confident87.3Confident25 Ų2560.3 Ų60.315%0.15235%0.348CS..  trans-93.1128.2178.3-177.50000109.7Y312 F373 Y374 V377 S379 I387Y312-V381 HydrophobicContact CD1-CG2 4.32Å; Y312-V381 HydrophobicContact CE1-CG1 4.46Å; Y312-V381 HydrophobicContact CE1-CG2 3.51Å; F373-V381 HydrophobicContact CE1-CG1 4.33Å; Y374-V381 HydrophobicContact CD1-CB 4.34Å; Y374-V381 HydrophobicContact CE1-CB 4.06Å; Y374-V381 HydrophobicContact CE1-CG1 4.29Å; Y374-V381 WeakPolarHBondContact CE1-O 3.48Å; V377-V381 HydrophobicContact CG1-CG2 3.83Å; S379-V381 PolarHBondContact O-N 3.09Å; S379-V381 WeakPolarHBondContact OG-CG2 3.13Å; V381-I387 HydrophobicContact CG1-CD1 3.41Å; V381-I387 VanDerWaalsContact CG1-CD1 3.41Å
382A83.1Confident87.2Confident63 Ų6360.6 Ų60.652%0.52135%0.346SS..  trans-78.4144.9171.700000110.6T384 I387A382-T384 VanDerWaalsContact C-N 3.31Å; A382-T384 HydrophobicContact CB-CG2 4.49Å; A382-T384 PolarHBondContact O-N 3.07Å; A382-I387 VanDerWaalsContact O-CD1 3.24Å; A382-I387 WeakPolarHBondContact O-CD1 3.38Å
383P83.8Confident87.3Confident91 Ų9163.1 Ų63.159%0.59136%0.364SS*.  trans-70.385.1175.529-33.9000110.5Y374Y374-P383 WeakPolarHBondContact OH-CA 3.41Å; Y374-P383 WeakPolarHBondContact OH-CB 3.48Å
384T89.6Confident87.2Confident63 Ų6363.2 Ų63.239%0.38737%0.365SS..  trans-90.7154.9176.752.60000111.3A382 S386 I387 F388A382-T384 VanDerWaalsContact C-N 3.31Å; A382-T384 HydrophobicContact CB-CG2 4.49Å; A382-T384 PolarHBondContact O-N 3.07Å; T384-S386 PolarHBondContact O-N 3.06Å; T384-S386 PolarHBondContact OG1-OG 2.94Å; T384-I387 PolarHBondContact O-N 3.49Å; T384-F388 WeakPolarHBondContact O-CD2 3.47Å
385A88Confident87.3Confident84 Ų8461.3 Ų61.369%0.69436%0.361SS*.Hα-helixtrans-54.6-27.5173.600000112.9I387 F388 S389A385-I387 VanDerWaalsContact C-N 3.32Å; A385-I387 PolarHBondContact O-N 3.28Å; A385-F388 PolarHBondContact O-N 2.86Å; A385-S389 WeakPolarHBondContact O-CB 3.31Å; A385-S389 PolarHBondContact O-N 3.26Å
386S88.7Confident87.4Confident63 Ų6364.6 Ų64.644%0.44138%0.38SS..Hα-helixtrans-64.1-30.9175.956.40000113.9T384 Q390T384-S386 PolarHBondContact O-N 3.06Å; T384-S386 PolarHBondContact OG1-OG 2.94Å; S386-Q390 WeakPolarHBondContact O-CB 3.31Å; S386-Q390 VanDerWaalsContact O-CG 3.26Å; S386-Q390 WeakPolarHBondContact O-CG 3.37Å; S386-Q390 PolarHBondContact O-N 2.89Å
387I89.3Confident87.5Confident3 Ų369.4 Ų69.42%0.01541%0.405CS..Hα-helixtrans-71.4-45.3177.6-64.9170.5000109.9L316 L370 F373 V381 A382 T384 A385 S389 Q390 I391L316-I387 HydrophobicContact CD1-CG2 4.29Å; L316-I387 HydrophobicContact CD2-CG2 4.26Å; L370-I387 HydrophobicContact CD2-CG2 4.33Å; F373-I387 HydrophobicContact CE1-CD1 4.39Å; V381-I387 HydrophobicContact CG1-CD1 3.41Å; V381-I387 VanDerWaalsContact CG1-CD1 3.41Å; A382-I387 VanDerWaalsContact O-CD1 3.24Å; A382-I387 WeakPolarHBondContact O-CD1 3.38Å; T384-I387 PolarHBondContact O-N 3.49Å; A385-I387 VanDerWaalsContact C-N 3.32Å; A385-I387 PolarHBondContact O-N 3.28Å; I387-S389 VanDerWaalsContact C-N 3.32Å; I387-S389 PolarHBondContact O-N 3.33Å; I387-Q390 WeakPolarHBondContact O-CB 3.34Å; I387-Q390 PolarHBondContact O-N 3.24Å; I387-I391 HydrophobicContact CG2-CD1 4.37Å; I387-I391 WeakPolarHBondContact O-CG1 3.45Å; I387-I391 PolarHBondContact O-N 3.33Å
388F89.4Confident87.7Confident90 Ų9076.5 Ų76.540%0.39544%0.437SS..Hα-helixtrans-63.6-39.4175-64.2-76.4000111.6L366 L370 T384 A385 Q390 I391 S392L366-F388 HydrophobicContact CD2-CD1 4.45Å; L366-F388 HydrophobicContact CD2-CE1 4.17Å; L370-F388 HydrophobicContact CD1-CE1 3.89Å; L370-F388 HydrophobicContact CD1-CZ 4.13Å; T384-F388 WeakPolarHBondContact O-CD2 3.47Å; A385-F388 PolarHBondContact O-N 2.86Å; F388-Q390 PolarHBondContact O-N 3.09Å; F388-I391 PolarHBondContact O-N 3.34Å; F388-S392 PolarHBondContact O-N 2.67Å
389S91.3Very high88.3Confident71 Ų7170.3 Ų70.350%0.49740%0.404SS..Hα-helixtrans-60.3-43.1172.1178.10000111.7A385 I387 I391 S392 S393A385-S389 WeakPolarHBondContact O-CB 3.31Å; A385-S389 PolarHBondContact O-N 3.26Å; I387-S389 VanDerWaalsContact C-N 3.32Å; I387-S389 PolarHBondContact O-N 3.33Å; S389-I391 PolarHBondContact O-N 3.43Å; S389-S392 WeakPolarHBondContact O-CB 3.26Å; S389-S392 PolarHBondContact O-N 2.99Å; S389-S393 PolarHBondContact O-N 2.96Å; S389-S393 PolarHBondContact O-OG 2.92Å; S389-S393 VanDerWaalsContact O-OG 3.05Å
390Q91.8Very high89Confident40 Ų4067.9 Ų67.919%0.18739%0.387CS..Hα-helixtrans-63.6-38.8175.2-76.9174.218.900112.9Y312 S313 L316 S386 I387 F388 S392 S393 L394Y312-Q390 VanDerWaalsContact CB-OE1 3.31Å; S313-Q390 PolarHBondContact OG-OE1 2.87Å; L316-Q390 HydrophobicContact CD1-CB 3.98Å; S386-Q390 WeakPolarHBondContact O-CB 3.31Å; S386-Q390 VanDerWaalsContact O-CG 3.26Å; S386-Q390 WeakPolarHBondContact O-CG 3.37Å; S386-Q390 PolarHBondContact O-N 2.89Å; I387-Q390 WeakPolarHBondContact O-CB 3.34Å; I387-Q390 PolarHBondContact O-N 3.24Å; F388-Q390 PolarHBondContact O-N 3.09Å; Q390-S392 VanDerWaalsContact C-N 3.35Å; Q390-S393 PolarHBondContact O-N 3.26Å; Q390-L394 VanDerWaalsContact O-CG 3.31Å; Q390-L394 WeakPolarHBondContact O-CG 3.46Å; Q390-L394 PolarHBondContact O-N 3.21Å
391I91.3Very high89.6Confident2 Ų258.9 Ų58.91%0.0136%0.361CS..Hα-helixtrans-62.6-45.3174.9-65.5167.8000110L316 L366 L369 L370 I387 F388 S389 S393 L394 V395 Y414L316-I391 HydrophobicContact CD1-CG1 3.97Å; L316-I391 HydrophobicContact CD2-CD1 4.13Å; L316-I391 HydrophobicContact CD2-CG1 4.03Å; L366-I391 HydrophobicContact CD1-CD1 3.84Å; L369-I391 HydrophobicContact CD2-CD1 4.09Å; L369-I391 HydrophobicContact CD2-CG1 4.36Å; L369-I391 HydrophobicContact CD2-CG2 4.43Å; L370-I391 HydrophobicContact CD2-CD1 4.01Å; I387-I391 HydrophobicContact CG2-CD1 4.37Å; I387-I391 WeakPolarHBondContact O-CG1 3.45Å; I387-I391 PolarHBondContact O-N 3.33Å; F388-I391 PolarHBondContact O-N 3.34Å; S389-I391 PolarHBondContact O-N 3.43Å; I391-S393 PolarHBondContact O-N 3.33Å; I391-L394 PolarHBondContact O-N 3.01Å; I391-V395 WeakPolarHBondContact O-CG2 3.29Å; I391-V395 PolarHBondContact O-N 3.43Å; I391-V395 VanDerWaalsContact O-N 3.12Å; I391-Y414 HydrophobicContact CG2-CE1 4.42Å; I391-Y414 HydrophobicContact CG2-CE2 4.48Å
392S90.1Very high90Very high69 Ų6959.9 Ų59.948%0.48337%0.365SS..Hα-helixtrans-60.1-45.3175.1-1710000111.5F388 S389 Q390 L394 V395 T396F388-S392 PolarHBondContact O-N 2.67Å; S389-S392 WeakPolarHBondContact O-CB 3.26Å; S389-S392 PolarHBondContact O-N 2.99Å; Q390-S392 VanDerWaalsContact C-N 3.35Å; S392-L394 VanDerWaalsContact C-N 3.33Å; S392-L394 PolarHBondContact O-N 3.26Å; S392-V395 WeakPolarHBondContact O-CA 3.38Å; S392-V395 WeakPolarHBondContact O-CB 3.47Å; S392-V395 PolarHBondContact O-N 3.28Å; S392-T396 PolarHBondContact O-N 3.28Å; S392-T396 PolarHBondContact O-OG1 3.37Å; S392-T396 VanDerWaalsContact O-OG1 3.1Å
393S92.6Very high90.2Very high56 Ų5660.3 Ų60.339%0.39236%0.361SS..Hα-helixtrans-60.2-39175-58.40000112.9S389 Q390 I391 V395 T396 L397S389-S393 PolarHBondContact O-N 2.96Å; S389-S393 PolarHBondContact O-OG 2.92Å; S389-S393 VanDerWaalsContact O-OG 3.05Å; Q390-S393 PolarHBondContact O-N 3.26Å; I391-S393 PolarHBondContact O-N 3.33Å; S393-V395 VanDerWaalsContact C-N 3.25Å; S393-V395 PolarHBondContact O-N 2.88Å; S393-T396 PolarHBondContact O-N 3.14Å; S393-L397 WeakPolarHBondContact O-CB 3.43Å; S393-L397 VanDerWaalsContact O-CG 3.23Å; S393-L397 WeakPolarHBondContact O-CG 3.31Å; S393-L397 PolarHBondContact O-N 2.88Å
394L92.1Very high90Very high3 Ų357 Ų572%0.01634%0.34CS..Hα-helixtrans-64.6-30.1175.2-72.6173.8000112.5L316 Q390 I391 S392 Q398 L399 L400L316-L394 HydrophobicContact CB-CD1 3.96Å; Q390-L394 VanDerWaalsContact O-CG 3.31Å; Q390-L394 WeakPolarHBondContact O-CG 3.46Å; Q390-L394 PolarHBondContact O-N 3.21Å; I391-L394 PolarHBondContact O-N 3.01Å; S392-L394 VanDerWaalsContact C-N 3.33Å; S392-L394 PolarHBondContact O-N 3.26Å; L394-Q398 PolarHBondContact O-N 2.98Å; L394-L399 HydrophobicContact CD2-CB 4.39Å; L394-L399 HydrophobicContact CD2-CD1 3.71Å; L394-L399 PolarHBondContact O-N 3.01Å; L394-L400 HydrophobicContact CB-CD1 3.94Å; L394-L400 HydrophobicContact CB-CG 4.12Å; L394-L400 HydrophobicContact CD1-CD1 4.25Å; L394-L400 PolarHBondContact O-N 3.29Å; L394-L400 VanDerWaalsContact O-N 3.09Å
395V91.9Very high89.1Confident39 Ų3961.2 Ų61.224%0.23636%0.355CS..Hα-helixtrans-72.7-45.2172.2176.70000110.8I391 S392 S393 L397 Q398 L400 L402 Y414I391-V395 WeakPolarHBondContact O-CG2 3.29Å; I391-V395 PolarHBondContact O-N 3.43Å; I391-V395 VanDerWaalsContact O-N 3.12Å; S392-V395 WeakPolarHBondContact O-CA 3.38Å; S392-V395 WeakPolarHBondContact O-CB 3.47Å; S392-V395 PolarHBondContact O-N 3.28Å; S393-V395 VanDerWaalsContact C-N 3.25Å; S393-V395 PolarHBondContact O-N 2.88Å; V395-L397 PolarHBondContact O-N 3.29Å; V395-Q398 WeakPolarHBondContact O-CA 3.42Å; V395-Q398 PolarHBondContact O-N 3.27Å; V395-L400 WeakPolarHBondContact CA-O 3.31Å; V395-L400 HydrophobicContact CG2-CB 3.86Å; V395-L402 HydrophobicContact CG1-CB 4.37Å; V395-Y414 HydrophobicContact CG2-CD1 3.88Å; V395-Y414 HydrophobicContact CG2-CE1 3.71Å
396T90.9Very high88Confident112 Ų11263.8 Ų63.869%0.68736%0.357SS*.Hα-helixtrans-59.7-36.9175.4-48.50000112S392 S393 Q398S392-T396 PolarHBondContact O-N 3.28Å; S392-T396 PolarHBondContact O-OG1 3.37Å; S392-T396 VanDerWaalsContact O-OG1 3.1Å; S393-T396 PolarHBondContact O-N 3.14Å; T396-Q398 PolarHBondContact O-N 3.19Å
397L90.6Very high86.7Confident109 Ų10968.2 Ų68.257%0.57138%0.376SS*.THydrogen-bonded Turntrans-75.92.7175-68.1173000113.8S393 V395 L399S393-L397 WeakPolarHBondContact O-CB 3.43Å; S393-L397 VanDerWaalsContact O-CG 3.23Å; S393-L397 WeakPolarHBondContact O-CG 3.31Å; S393-L397 PolarHBondContact O-N 2.88Å; V395-L397 PolarHBondContact O-N 3.29Å; L397-L399 HydrophobicContact CB-CD1 4.35Å; L397-L399 HydrophobicContact CB-CG 4.23Å; L397-L399 PolarHBondContact O-N 3.48Å
398Q90.8Very high85.4Confident157 Ų15773.3 Ų73.373%0.73440%0.4SS*.THydrogen-bonded Turntrans5816.8-178.1-58.2-174.8-27.200115.1L394 V395 T396 L400L394-Q398 PolarHBondContact O-N 2.98Å; V395-Q398 WeakPolarHBondContact O-CA 3.42Å; V395-Q398 PolarHBondContact O-N 3.27Å; T396-Q398 PolarHBondContact O-N 3.19Å; Q398-L400 VanDerWaalsContact C-N 3.33Å
399L91.3Very high84.4Confident25 Ų2577.1 Ų77.113%0.13142%0.423CS..SBendtrans-76-29.7171.2-62.4175.7000110.9L309 L317 L394 L397 A417 V418 F422L309-L399 HydrophobicContact CD1-CD1 3.98Å; L309-L399 HydrophobicContact CD2-CD1 4.17Å; L317-L399 HydrophobicContact CD1-CB 4.04Å; L317-L399 HydrophobicContact CD2-CD1 4.19Å; L394-L399 HydrophobicContact CD2-CB 4.39Å; L394-L399 HydrophobicContact CD2-CD1 3.71Å; L394-L399 PolarHBondContact O-N 3.01Å; L397-L399 HydrophobicContact CB-CD1 4.35Å; L397-L399 HydrophobicContact CB-CG 4.23Å; L397-L399 PolarHBondContact O-N 3.48Å; L399-A417 PolarHBondContact O-N 2.97Å; L399-A417 VanDerWaalsContact O-N 3.11Å; L399-V418 HydrophobicContact CB-CG1 4.3Å; L399-V418 HydrophobicContact CD2-CG1 3.91Å; L399-F422 HydrophobicContact CD2-CE1 4.17Å; L399-F422 HydrophobicContact CD2-CZ 4.31Å
400L92.1Very high83.3Confident1 Ų181.4 Ų81.41%0.00544%0.441CS..EExtended strand (participates in β ladder)trans-118.4151167.6-60.3-179.7000109.7L317 A320 L394 V395 Q398 K415 C416L317-L400 HydrophobicContact CD1-CD2 4.01Å; L317-L400 HydrophobicContact CD1-CG 4.41Å; A320-L400 HydrophobicContact CB-CD1 4.36Å; A320-L400 HydrophobicContact CB-CD2 3.5Å; L394-L400 HydrophobicContact CB-CD1 3.94Å; L394-L400 HydrophobicContact CB-CG 4.12Å; L394-L400 HydrophobicContact CD1-CD1 4.25Å; L394-L400 PolarHBondContact O-N 3.29Å; L394-L400 VanDerWaalsContact O-N 3.09Å; V395-L400 WeakPolarHBondContact CA-O 3.31Å; V395-L400 HydrophobicContact CG2-CB 3.86Å; Q398-L400 VanDerWaalsContact C-N 3.33Å; L400-K415 WeakPolarHBondContact CA-O 3.5Å; L400-C416 HydrophobicContact CD2-CB 4.27Å
401T91.6Very high82.6Confident71 Ų7182.7 Ų82.744%0.43645%0.454SS..EExtended strand (participates in β ladder)trans-122.1127.1175.1-46.50000109Y414 K415T401-Y414 CarbonylContact O-C 3.54Å; T401-Y414 WeakPolarHBondContact O-CA 3.32Å; T401-K415 PolarHBondContact N-O 3.26Å; T401-K415 PolarHBondContact O-N 3.25Å
402L90.1Very high82.3Confident46 Ų4683.5 Ų83.524%0.24146%0.459CS..EExtended strand (participates in β ladder)trans-77.1127.1169.5-172.572.4000108.6V395 D406 P412 Y414V395-L402 HydrophobicContact CG1-CB 4.37Å; L402-D406 WeakPolarHBondContact CD2-OD1 3.23Å; L402-P412 HydrophobicContact CD1-CB 3.61Å; L402-Y414 HydrophobicContact CB-CD1 4.44Å; L402-Y414 HydrophobicContact CB-CE1 4.45Å; L402-Y414 HydrophobicContact CD1-CD1 3.79Å; L402-Y414 HydrophobicContact CD1-CE1 3.48Å; L402-Y414 VanDerWaalsContact CD1-CE1 3.48Å
403V86.6Confident82.4Confident71 Ų7185.5 Ų85.543%0.4346%0.459SS..  trans-101.6-17.1-179.9-176.30000111.6K413 K415V403-K413 PolarHBondContact N-O 3.47Å; V403-K415 HydrophobicContact CG2-CB 4.04Å; V403-K415 HydrophobicContact CG2-CD 3.44Å; V403-K415 VanDerWaalsContact CG2-CD 3.44Å; V403-K415 HydrophobicContact CG2-CG 3.54Å
404S79.9Confident82.3Confident22 Ų2284.1 Ų84.115%0.15445%0.446CS..SBendtrans-79.8156.3175.2-50.80000109.6D406 K413S404-D406 PolarHBondContact O-N 3.07Å; S404-K413 WeakPolarHBondContact OG-CB 3.39Å; S404-K413 PolarHBondContact OG-N 3.48Å
405H71.2Confident82.4Confident151 Ų15187.4 Ų87.470%0.69946%0.46SS*.  trans-58.8137.9170.2-71.9-78.4000109.7D407 Q408H405-D407 PolarHBondContact O-N 3.45Å; H405-Q408 PolarHBondContact O-N 2.84Å
406D63.6Low82.5Confident138 Ų13885.6 Ų85.674%0.73845%0.449SS*.THydrogen-bonded Turntrans-56.6-22.6-175.7-68.6-37.6000113.2L402 S404 Q408L402-D406 WeakPolarHBondContact CD2-OD1 3.23Å; S404-D406 PolarHBondContact O-N 3.07Å; D406-Q408 VanDerWaalsContact C-N 3.33Å; D406-Q408 PolarHBondContact O-N 3.09Å
407D62Low82.5Confident156 Ų15683 Ų8383%0.83444%0.438SS*.THydrogen-bonded Turntrans-79.6-5.9-176.2-59.4-31.6000114.7H405H405-D407 PolarHBondContact O-N 3.45Å
408Q62.9Low82.5Confident111 Ų11178.3 Ų78.352%0.51942%0.415SS..  trans-101.895.7-178.6-74.1-179-12.400112.4H405 D406 D410H405-Q408 PolarHBondContact O-N 2.84Å; D406-Q408 VanDerWaalsContact C-N 3.33Å; D406-Q408 PolarHBondContact O-N 3.09Å; Q408-D410 VanDerWaalsContact C-N 3.3Å; Q408-D410 PolarHBondContact O-N 3.29Å
409L66.8Low82.5Confident170 Ų17073.8 Ų73.889%0.8940%0.4SS*.  trans-71.8-21172.9-70172.1000113.9
410D69.6Low82.4Confident161 Ų16174.9 Ų74.986%0.86141%0.406SS*.SBendtrans-80.6-24.8-164.8-156.724.5000113.6Q408Q408-D410 VanDerWaalsContact C-N 3.3Å; Q408-D410 PolarHBondContact O-N 3.29Å
411S77.3Confident82.3Confident67 Ų6781 Ų8147%0.46944%0.439SS..SBendtrans-15866.9177.4560000114.1K413S411-K413 PolarHBondContact O-N 2.96Å
412P85.3Confident82.2Confident18 Ų1878.7 Ų78.712%0.11742%0.423CS..  trans-64128.9-179.626.2-33000111.2L366 L402 Y414L366-P412 HydrophobicContact CB-CG 4.16Å; L366-P412 HydrophobicContact CD2-CG 4.11Å; L366-P412 PolarHBondContact N-O 3.11Å; L402-P412 HydrophobicContact CD1-CB 3.61Å; P412-Y414 HydrophobicContact CB-CE2 3.84Å; P412-Y414 HydrophobicContact CG-CE2 3.94Å
413K90.4Very high82.2Confident111 Ų11176.5 Ų76.548%0.48341%0.411SS..EExtended strand (participates in β ladder)trans-101.5125.4172.1-61175.9-176.1167.40110.3F364 V403 S404 S411F364-K413 WeakPolarHBondContact O-CA 3.31Å; V403-K413 PolarHBondContact N-O 3.47Å; S404-K413 WeakPolarHBondContact OG-CB 3.39Å; S404-K413 PolarHBondContact OG-N 3.48Å; S411-K413 PolarHBondContact O-N 2.96Å
414Y92.1Very high82.4Confident28 Ų2874.1 Ų74.111%0.1140%0.398CS..EExtended strand (participates in β ladder)trans-107.6156.1179.9-59-78.4000111.4P363 F364 L366 I391 V395 T401 L402 P412P363-Y414 CarbonylContact C-O 3.5Å; P363-Y414 VanDerWaalsContact CA-O 3.3Å; P363-Y414 WeakPolarHBondContact CA-O 3.44Å; F364-Y414 VanDerWaalsContact CD1-O 3.31Å; F364-Y414 WeakPolarHBondContact CD1-O 3.42Å; F364-Y414 WeakPolarHBondContact CE1-O 3.49Å; F364-Y414 PolarHBondContact N-O 3.21Å; F364-Y414 PolarHBondContact O-N 3.23Å; L366-Y414 HydrophobicContact CB-CE2 4.04Å; L366-Y414 HydrophobicContact CD1-CE2 3.93Å; L366-Y414 HydrophobicContact CG-CE2 4.46Å; I391-Y414 HydrophobicContact CG2-CE1 4.42Å; I391-Y414 HydrophobicContact CG2-CE2 4.48Å; V395-Y414 HydrophobicContact CG2-CD1 3.88Å; V395-Y414 HydrophobicContact CG2-CE1 3.71Å; T401-Y414 CarbonylContact O-C 3.54Å; T401-Y414 WeakPolarHBondContact O-CA 3.32Å; L402-Y414 HydrophobicContact CB-CD1 4.44Å; L402-Y414 HydrophobicContact CB-CE1 4.45Å; L402-Y414 HydrophobicContact CD1-CD1 3.79Å; L402-Y414 HydrophobicContact CD1-CE1 3.48Å; L402-Y414 VanDerWaalsContact CD1-CE1 3.48Å; P412-Y414 HydrophobicContact CB-CE2 3.84Å; P412-Y414 HydrophobicContact CG-CE2 3.94Å
415K93.1Very high82.8Confident71 Ų7174.3 Ų74.331%0.30940%0.401SS..EExtended strand (participates in β ladder)trans-125.5147.8165.9-80.7179.9-176.3172.90109.5P363 L400 T401 V403P363-K415 HydrophobicContact CB-CG 4.1Å; L400-K415 WeakPolarHBondContact CA-O 3.5Å; T401-K415 PolarHBondContact N-O 3.26Å; T401-K415 PolarHBondContact O-N 3.25Å; V403-K415 HydrophobicContact CG2-CB 4.04Å; V403-K415 HydrophobicContact CG2-CD 3.44Å; V403-K415 VanDerWaalsContact CG2-CD 3.44Å; V403-K415 HydrophobicContact CG2-CG 3.54Å
416C93.9Very high83.7Confident1 Ų167.5 Ų67.51%0.00737%0.369CS..EExtended strand (participates in β ladder)trans-91.5125.8175.8-163.90000109.6P361 L400P361-C416 VanDerWaalsContact CB-O 3.25Å; P361-C416 WeakPolarHBondContact CB-O 3.3Å; P361-C416 WeakPolarHBondContact CG-O 3.35Å; L400-C416 HydrophobicContact CD2-CB 4.27Å
417A91.8Very high84.9Confident57 Ų5761.1 Ų61.147%0.47134%0.336SS..  trans-97.3-2.1-175.800000113.5L399L399-A417 PolarHBondContact O-N 2.97Å; L399-A417 VanDerWaalsContact O-N 3.11Å
418V91Very high86.3Confident12 Ų1263 Ų637%0.07333%0.331CS..  trans-89.1153.4-173.2-50.80000113.2L317 Y321 L399 F422 I423L317-V418 HydrophobicContact CD1-CG1 4.13Å; L317-V418 HydrophobicContact CD2-CG1 4.3Å; Y321-V418 HydrophobicContact CD2-CG2 3.77Å; Y321-V418 HydrophobicContact CE2-CG2 4.37Å; Y321-V418 WeakPolarHBondContact CE2-O 3.39Å; L399-V418 HydrophobicContact CB-CG1 4.3Å; L399-V418 HydrophobicContact CD2-CG1 3.91Å; V418-F422 HydrophobicContact CB-CD1 3.72Å; V418-F422 HydrophobicContact CB-CE1 4.38Å; V418-F422 HydrophobicContact CB-CG 4.49Å; V418-F422 HydrophobicContact CG1-CD1 3.82Å; V418-F422 HydrophobicContact CG1-CE1 3.97Å; V418-F422 HydrophobicContact CG2-CD1 4.23Å; V418-I423 HydrophobicContact CG2-CB 4.3Å; V418-I423 HydrophobicContact CG2-CD1 4.24Å
419S90.5Very high87.5Confident62 Ų6261.5 Ų61.543%0.43433%0.33SS..  trans-79.4164.7176.569.90000112.7D421 F422 I423S419-D421 VanDerWaalsContact C-N 3.32Å; S419-D421 PolarHBondContact O-N 3.39Å; S419-F422 PolarHBondContact O-N 3.49Å; S419-F422 WeakPolarHBondContact OG-CB 3.48Å; S419-F422 PolarHBondContact OG-N 3.45Å; S419-I423 PolarHBondContact O-N 2.83Å; S419-I423 VanDerWaalsContact O-N 3.13Å
420L89.6Confident88.6Confident48 Ų4854.5 Ų54.525%0.25129%0.294SS..Hα-helixtrans-63-38175.1-177.661000112Y321 I423 S424 L438 F441Y321-L420 HydrophobicContact CE1-CD1 4.04Å; Y321-L420 WeakPolarHBondContact OH-CA 3.18Å; Y321-L420 WeakPolarHBondContact OH-CB 3.38Å; Y321-L420 WeakPolarHBondContact OH-CD1 3.31Å; L420-I423 HydrophobicContact CD1-CG2 4.22Å; L420-I423 WeakPolarHBondContact O-CG2 3.44Å; L420-I423 PolarHBondContact O-N 2.89Å; L420-S424 WeakPolarHBondContact O-CB 3.47Å; L420-S424 PolarHBondContact O-N 3.34Å; L420-S424 PolarHBondContact O-OG 3.1Å; L420-L438 HydrophobicContact CD1-CD1 3.76Å; L420-F441 HydrophobicContact CD2-CE2 4.07Å; L420-F441 HydrophobicContact CD2-CZ 3.78Å
421D88.9Confident89.5Confident130 Ų13054.4 Ų54.470%0.69529%0.294SS*.Hα-helixtrans-67.1-42-179.1-62.6-25.8000111.3S419 S424 A425S419-D421 VanDerWaalsContact C-N 3.32Å; S419-D421 PolarHBondContact O-N 3.39Å; D421-S424 PolarHBondContact O-N 3.22Å; D421-A425 WeakPolarHBondContact O-CB 3.04Å; D421-A425 PolarHBondContact O-N 3.04Å
422F89.5Confident90Very high21 Ų2152.5 Ų52.59%0.09228%0.277CS..Hα-helixtrans-63.1-47.9176.9-174.6-100.6000111.6T305 V307 L317 L399 V418 S419 S424 A425 I426T305-F422 VanDerWaalsContact O-CD2 3.27Å; T305-F422 WeakPolarHBondContact O-CD2 3.5Å; T305-F422 WeakPolarHBondContact O-CE2 3.38Å; V307-F422 HydrophobicContact CB-CE2 4.16Å; V307-F422 HydrophobicContact CB-CZ 3.99Å; V307-F422 HydrophobicContact CG2-CE2 3.91Å; V307-F422 HydrophobicContact CG2-CZ 4.02Å; L317-F422 HydrophobicContact CD2-CE1 3.88Å; L399-F422 HydrophobicContact CD2-CE1 4.17Å; L399-F422 HydrophobicContact CD2-CZ 4.31Å; V418-F422 HydrophobicContact CB-CD1 3.72Å; V418-F422 HydrophobicContact CB-CE1 4.38Å; V418-F422 HydrophobicContact CB-CG 4.49Å; V418-F422 HydrophobicContact CG1-CD1 3.82Å; V418-F422 HydrophobicContact CG1-CE1 3.97Å; V418-F422 HydrophobicContact CG2-CD1 4.23Å; S419-F422 PolarHBondContact O-N 3.49Å; S419-F422 WeakPolarHBondContact OG-CB 3.48Å; S419-F422 PolarHBondContact OG-N 3.45Å; F422-S424 VanDerWaalsContact C-N 3.31Å; F422-S424 PolarHBondContact O-N 3.49Å; F422-A425 PolarHBondContact O-N 3.26Å; F422-I426 HydrophobicContact CD1-CD1 3.75Å; F422-I426 HydrophobicContact CE1-CD1 3.28Å; F422-I426 HydrophobicContact CE1-CG1 4.37Å; F422-I426 HydrophobicContact CZ-CD1 3.75Å; F422-I426 WeakPolarHBondContact O-CG1 3.31Å; F422-I426 PolarHBondContact O-N 3.45Å
423I90.9Very high90.2Very high0 Ų054.8 Ų54.80%029%0.288CS..Hα-helixtrans-69.4-32.7179.3-15672000112.1L317 I318 Y321 V418 S419 L420 I426 S427 I434L317-I423 HydrophobicContact CB-CD1 4.41Å; L317-I423 HydrophobicContact CD2-CD1 4.39Å; L317-I423 HydrophobicContact CG-CD1 3.9Å; I318-I423 HydrophobicContact CB-CD1 4.4Å; I318-I423 HydrophobicContact CG1-CD1 3.81Å; I318-I423 HydrophobicContact CG1-CG1 4.03Å; Y321-I423 HydrophobicContact CD1-CG1 4.44Å; Y321-I423 HydrophobicContact CD1-CG2 3.84Å; Y321-I423 HydrophobicContact CD2-CB 4.17Å; Y321-I423 HydrophobicContact CD2-CG1 4.4Å; Y321-I423 HydrophobicContact CD2-CG2 3.97Å; Y321-I423 HydrophobicContact CE1-CG2 3.83Å; Y321-I423 HydrophobicContact CE2-CG2 3.95Å; Y321-I423 HydrophobicContact CG-CB 4.2Å; Y321-I423 HydrophobicContact CG-CG1 4.01Å; Y321-I423 HydrophobicContact CG-CG2 3.92Å; V418-I423 HydrophobicContact CG2-CB 4.3Å; V418-I423 HydrophobicContact CG2-CD1 4.24Å; S419-I423 PolarHBondContact O-N 2.83Å; S419-I423 VanDerWaalsContact O-N 3.13Å; L420-I423 HydrophobicContact CD1-CG2 4.22Å; L420-I423 WeakPolarHBondContact O-CG2 3.44Å; L420-I423 PolarHBondContact O-N 2.89Å; I423-I426 PolarHBondContact O-N 3.12Å; I423-S427 VanDerWaalsContact O-CB 3.27Å; I423-S427 WeakPolarHBondContact O-CB 3.26Å; I423-S427 PolarHBondContact O-N 3.36Å; I423-S427 PolarHBondContact O-OG 3.39Å; I423-I434 HydrophobicContact CG2-CG1 4.45Å
424S89.7Confident90.1Very high21 Ų2149.7 Ų49.715%0.14727%0.266CS..Hα-helixtrans-64.1-43174.1-64.20000110.9L420 D421 F422 S427 R428L420-S424 WeakPolarHBondContact O-CB 3.47Å; L420-S424 PolarHBondContact O-N 3.34Å; L420-S424 PolarHBondContact O-OG 3.1Å; D421-S424 PolarHBondContact O-N 3.22Å; F422-S424 VanDerWaalsContact C-N 3.31Å; F422-S424 PolarHBondContact O-N 3.49Å; S424-S427 WeakPolarHBondContact CA-OG 3.47Å; S424-S427 PolarHBondContact O-N 2.85Å; S424-S427 PolarHBondContact O-OG 3.29Å; S424-R428 WeakPolarHBondContact O-CG 3.45Å; S424-R428 PolarHBondContact O-N 3.39Å
425A89.4Confident89.9Confident26 Ų2651.6 Ų51.622%0.21528%0.281CS..Hα-helixtrans-60.2-46.3174.100000111.7D421 F422 S427 R428 T429D421-A425 WeakPolarHBondContact O-CB 3.04Å; D421-A425 PolarHBondContact O-N 3.04Å; F422-A425 PolarHBondContact O-N 3.26Å; A425-S427 PolarHBondContact O-N 2.99Å; A425-R428 PolarHBondContact O-N 3.01Å; A425-T429 PolarHBondContact O-N 3.23Å
426I89.9Confident89.5Confident8 Ų854.8 Ų54.84%0.04130%0.295CS..Hα-helixtrans-61.8-46176.7-68.5176.4000111.1L309 K314 L317 I318 F422 I423 R428 T429 V430L309-I426 HydrophobicContact CD1-CD1 4.04Å; K314-I426 HydrophobicContact CB-CG2 3.65Å; K314-I426 HydrophobicContact CD-CG2 4.11Å; K314-I426 HydrophobicContact CG-CG2 3.76Å; L317-I426 HydrophobicContact CD2-CD1 3.74Å; I318-I426 HydrophobicContact CD1-CG2 4.16Å; I318-I426 HydrophobicContact CG1-CG2 4.32Å; F422-I426 HydrophobicContact CD1-CD1 3.75Å; F422-I426 HydrophobicContact CE1-CD1 3.28Å; F422-I426 HydrophobicContact CE1-CG1 4.37Å; F422-I426 HydrophobicContact CZ-CD1 3.75Å; F422-I426 WeakPolarHBondContact O-CG1 3.31Å; F422-I426 PolarHBondContact O-N 3.45Å; I423-I426 PolarHBondContact O-N 3.12Å; I426-R428 VanDerWaalsContact C-N 3.28Å; I426-R428 PolarHBondContact O-N 3.16Å; I426-T429 PolarHBondContact O-N 2.92Å; I426-T429 PolarHBondContact O-OG1 3.07Å; I426-V430 PolarHBondContact O-N 3.32Å
427S89.4Confident89.1Confident5 Ų558.3 Ų58.34%0.03531%0.308CS..Hα-helixtrans-59.6-38.7-179.175.20000112.1I423 S424 A425 T429 V430 N431 F432 I434I423-S427 VanDerWaalsContact O-CB 3.27Å; I423-S427 WeakPolarHBondContact O-CB 3.26Å; I423-S427 PolarHBondContact O-N 3.36Å; I423-S427 PolarHBondContact O-OG 3.39Å; S424-S427 WeakPolarHBondContact CA-OG 3.47Å; S424-S427 PolarHBondContact O-N 2.85Å; S424-S427 PolarHBondContact O-OG 3.29Å; A425-S427 PolarHBondContact O-N 2.99Å; S427-T429 VanDerWaalsContact C-N 3.34Å; S427-T429 PolarHBondContact O-N 3.33Å; S427-V430 CarbonylContact O-C 3.56Å; S427-V430 WeakPolarHBondContact O-CG2 3.47Å; S427-V430 PolarHBondContact O-N 2.94Å; S427-N431 PolarHBondContact O-N 2.98Å; S427-N431 VanDerWaalsContact O-N 3.09Å; S427-F432 CarbonylContact C-O 3.5Å; S427-F432 WeakPolarHBondContact CB-O 3.4Å; S427-F432 PolarHBondContact O-N 3.27Å; S427-F432 PolarHBondContact OG-O 3.49Å; S427-I434 WeakPolarHBondContact OG-CG2 3.38Å
428R89.5Confident88.8Confident194 Ų19455.6 Ų55.673%0.73229%0.286SS*.Hα-helixtrans-62-37.8172.7-70.8175.2-173.1-179.93.8112.4S424 A425 I426 V430 N431S424-R428 WeakPolarHBondContact O-CG 3.45Å; S424-R428 PolarHBondContact O-N 3.39Å; A425-R428 PolarHBondContact O-N 3.01Å; I426-R428 VanDerWaalsContact C-N 3.28Å; I426-R428 PolarHBondContact O-N 3.16Å; R428-V430 PolarHBondContact O-N 3.48Å; R428-N431 PolarHBondContact O-N 2.99Å; R428-N431 PolarHBondContact O-OD1 3.18Å
429T89.5Confident88.2Confident81 Ų8159.8 Ų59.850%0.49730%0.301SS..Hα-helixtrans-68-23.3178.2690000114K314 A425 I426 S427K314-T429 PolarHBondContact NZ-OG1 2.9Å; A425-T429 PolarHBondContact O-N 3.23Å; I426-T429 PolarHBondContact O-N 2.92Å; I426-T429 PolarHBondContact O-OG1 3.07Å; S427-T429 VanDerWaalsContact C-N 3.34Å; S427-T429 PolarHBondContact O-N 3.33Å
430V88.4Confident87.4Confident23 Ų2359.1 Ų59.114%0.13929%0.293CS..THydrogen-bonded Turntrans-105.710.6177.4-63.30000112.5Y311 K314 F315 I318 I426 S427 R428 F432Y311-V430 HydrophobicContact CD2-CG1 4.4Å; Y311-V430 HydrophobicContact CE2-CG1 4.43Å; K314-V430 HydrophobicContact CB-CG1 4.08Å; K314-V430 HydrophobicContact CD-CG1 3.62Å; F315-V430 HydrophobicContact CD2-CG1 4.43Å; F315-V430 HydrophobicContact CE2-CB 3.73Å; F315-V430 HydrophobicContact CE2-CG1 3.89Å; F315-V430 HydrophobicContact CE2-CG2 4.09Å; F315-V430 HydrophobicContact CZ-CB 3.92Å; F315-V430 HydrophobicContact CZ-CG2 4Å; I318-V430 HydrophobicContact CD1-CG2 3.72Å; I426-V430 PolarHBondContact O-N 3.32Å; S427-V430 CarbonylContact O-C 3.56Å; S427-V430 WeakPolarHBondContact O-CG2 3.47Å; S427-V430 PolarHBondContact O-N 2.94Å; R428-V430 PolarHBondContact O-N 3.48Å; V430-F432 HydrophobicContact CG2-CB 3.84Å; V430-F432 PolarHBondContact O-N 3.36Å
431N88.8Confident86.5Confident159 Ų15962.2 Ų62.285%0.8530%0.304SS*.THydrogen-bonded Turntrans5235.3-175.8-66.4-26.2000114S427 R428S427-N431 PolarHBondContact O-N 2.98Å; S427-N431 VanDerWaalsContact O-N 3.09Å; R428-N431 PolarHBondContact O-N 2.99Å; R428-N431 PolarHBondContact O-OD1 3.18Å
432F88.8Confident85.1Confident26 Ų2662.6 Ų62.611%0.11431%0.305CS..  trans-101.9129.7176.4-174.9-101.7000110.7I318 L322 V376 S427 V430 I434 Y437I318-F432 HydrophobicContact CD1-CD1 4.46Å; I318-F432 HydrophobicContact CG2-CD1 3.83Å; I318-F432 HydrophobicContact CG2-CE1 3.75Å; L322-F432 HydrophobicContact CD1-CE1 4.36Å; V376-F432 HydrophobicContact CG1-CD2 3.91Å; V376-F432 HydrophobicContact CG1-CE1 4.13Å; V376-F432 HydrophobicContact CG1-CE2 3.41Å; V376-F432 VanDerWaalsContact CG1-CE2 3.41Å; V376-F432 HydrophobicContact CG1-CG 4.48Å; V376-F432 HydrophobicContact CG1-CZ 3.51Å; V376-F432 HydrophobicContact CG2-CZ 4.26Å; S427-F432 CarbonylContact C-O 3.5Å; S427-F432 WeakPolarHBondContact CB-O 3.4Å; S427-F432 PolarHBondContact O-N 3.27Å; S427-F432 PolarHBondContact OG-O 3.49Å; V430-F432 HydrophobicContact CG2-CB 3.84Å; V430-F432 PolarHBondContact O-N 3.36Å; F432-I434 HydrophobicContact CD1-CB 4.46Å; F432-I434 HydrophobicContact CE1-CD1 4.08Å; F432-I434 PolarHBondContact O-N 3.48Å; F432-Y437 AromaticContact CE1-CD2 3.99Å; F432-Y437 HydrophobicContact CE1-CD2 3.99Å; F432-Y437 HydrophobicContact CE1-CE2 4.35Å; F432-Y437 HydrophobicContact CE2-CD2 4.17Å; F432-Y437 AromaticContact CE2-CE2 3.7Å; F432-Y437 HydrophobicContact CE2-CE2 3.7Å; F432-Y437 AromaticContact CZ-CD2 3.43Å; F432-Y437 HydrophobicContact CZ-CD2 3.43Å; F432-Y437 VanDerWaalsContact CZ-CD2 3.43Å; F432-Y437 AromaticContact CZ-CE2 3.44Å; F432-Y437 HydrophobicContact CZ-CE2 3.44Å; F432-Y437 VanDerWaalsContact CZ-CE2 3.44Å; F432-Y437 HydrophobicContact CZ-CG 4.01Å
433D88.5Confident84.9Confident67 Ų6764.7 Ų64.736%0.35832%0.316SS..  trans-90.789.6179.9-172.6-7.1000111.1V435 K436 Y437D433-V435 VanDerWaalsContact C-N 3.31Å; D433-V435 PolarHBondContact O-N 3.27Å; D433-V435 PolarHBondContact OD1-N 3.19Å; D433-K436 HydrophobicContact CB-CD 4.23Å; D433-K436 WeakPolarHBondContact OD2-CD 3.5Å; D433-K436 WeakPolarHBondContact OD2-CE 3.24Å; D433-K436 WeakPolarHBondContact OD2-CG 3.5Å; D433-K436 IonicContact OD2-NZ 3.74Å; D433-K436 PolarHBondContact OD2-NZ 2.96Å; D433-Y437 WeakPolarHBondContact O-CD2 3.26Å
434I88.9Confident84.6Confident3 Ų368.1 Ų68.12%0.01533%0.333CS..SBendtrans-63-34.4-176-173.457.5000113.6I318 L322 I423 S427 F432 K436 Y437 L438I318-I434 HydrophobicContact CG2-CD1 3.87Å; L322-I434 HydrophobicContact CD1-CD1 3.92Å; L322-I434 HydrophobicContact CD2-CD1 3.5Å; L322-I434 HydrophobicContact CG-CD1 3.62Å; I423-I434 HydrophobicContact CG2-CG1 4.45Å; S427-I434 WeakPolarHBondContact OG-CG2 3.38Å; F432-I434 HydrophobicContact CD1-CB 4.46Å; F432-I434 HydrophobicContact CE1-CD1 4.08Å; F432-I434 PolarHBondContact O-N 3.48Å; I434-K436 VanDerWaalsContact C-N 3.27Å; I434-K436 PolarHBondContact O-N 2.9Å; I434-Y437 PolarHBondContact O-N 3.5Å; I434-L438 HydrophobicContact CG1-CD1 4.32Å; I434-L438 HydrophobicContact CG1-CG 4.46Å; I434-L438 PolarHBondContact O-N 2.9Å
435V87.3Confident84.3Confident69 Ų6970.7 Ų70.742%0.41834%0.343SS..G310 helixtrans-65.1-34.8-171.7-177.70000110.8D433 Y437 L438 F441D433-V435 VanDerWaalsContact C-N 3.31Å; D433-V435 PolarHBondContact O-N 3.27Å; D433-V435 PolarHBondContact OD1-N 3.19Å; V435-Y437 PolarHBondContact O-N 3.47Å; V435-L438 PolarHBondContact O-N 3.05Å; V435-F441 HydrophobicContact CG1-CB 3.92Å; V435-F441 HydrophobicContact CG1-CG 4.21Å
436K85.3Confident84Confident138 Ų13873.3 Ų73.360%0.635%0.351SS*.G310 helixtrans-62.5-23.6175.4-74.8-179.5177.7131.90114.3D433 I434D433-K436 HydrophobicContact CB-CD 4.23Å; D433-K436 WeakPolarHBondContact OD2-CD 3.5Å; D433-K436 WeakPolarHBondContact OD2-CE 3.24Å; D433-K436 WeakPolarHBondContact OD2-CG 3.5Å; D433-K436 IonicContact OD2-NZ 3.74Å; D433-K436 PolarHBondContact OD2-NZ 2.96Å; I434-K436 VanDerWaalsContact C-N 3.27Å; I434-K436 PolarHBondContact O-N 2.9Å
437Y84.9Confident83.6Confident75 Ų7577.4 Ų77.429%0.29437%0.37SS..G310 helixtrans-99.8-1.5-177.1-69.5-93.3000112.6N326 F334 F335 F432 D433 I434 V435N326-Y437 PolarHBondContact ND2-O 3.05Å; F334-Y437 HydrophobicContact CB-CD1 4.31Å; F335-Y437 HydrophobicContact CD1-CD1 4.37Å; F335-Y437 AromaticContact CE1-CD1 3.77Å; F335-Y437 HydrophobicContact CE1-CD1 3.77Å; F335-Y437 HydrophobicContact CE1-CE1 4.29Å; F335-Y437 HydrophobicContact CZ-CD1 4.41Å; F432-Y437 AromaticContact CE1-CD2 3.99Å; F432-Y437 HydrophobicContact CE1-CD2 3.99Å; F432-Y437 HydrophobicContact CE1-CE2 4.35Å; F432-Y437 HydrophobicContact CE2-CD2 4.17Å; F432-Y437 AromaticContact CE2-CE2 3.7Å; F432-Y437 HydrophobicContact CE2-CE2 3.7Å; F432-Y437 AromaticContact CZ-CD2 3.43Å; F432-Y437 HydrophobicContact CZ-CD2 3.43Å; F432-Y437 VanDerWaalsContact CZ-CD2 3.43Å; F432-Y437 AromaticContact CZ-CE2 3.44Å; F432-Y437 HydrophobicContact CZ-CE2 3.44Å; F432-Y437 VanDerWaalsContact CZ-CE2 3.44Å; F432-Y437 HydrophobicContact CZ-CG 4.01Å; D433-Y437 WeakPolarHBondContact O-CD2 3.26Å; I434-Y437 PolarHBondContact O-N 3.5Å; V435-Y437 PolarHBondContact O-N 3.47Å
438L85.7Confident83.3Confident0 Ų082.2 Ų82.20%039%0.392CS..  trans-92.3128178.4-70.1172.4000111.4Y321 L322 L420 I434 V435 D440 F441 L442Y321-L438 HydrophobicContact CD1-CD2 4.18Å; Y321-L438 HydrophobicContact CE1-CD1 4.25Å; Y321-L438 HydrophobicContact CE1-CD2 3.85Å; L322-L438 HydrophobicContact CD2-CD2 3.87Å; L322-L438 HydrophobicContact CD2-CG 4.33Å; L420-L438 HydrophobicContact CD1-CD1 3.76Å; I434-L438 HydrophobicContact CG1-CD1 4.32Å; I434-L438 HydrophobicContact CG1-CG 4.46Å; I434-L438 PolarHBondContact O-N 2.9Å; V435-L438 PolarHBondContact O-N 3.05Å; L438-D440 VanDerWaalsContact C-N 3.3Å; L438-D440 PolarHBondContact O-N 2.99Å; L438-F441 HydrophobicContact CB-CD2 3.76Å; L438-F441 HydrophobicContact CD1-CD2 3.84Å; L438-F441 HydrophobicContact CD1-CE2 3.89Å; L438-F441 HydrophobicContact CG-CD2 4.47Å; L438-F441 PolarHBondContact O-N 3.07Å; L438-L442 WeakPolarHBondContact O-CD1 3.38Å
439Y79.4Confident82.8Confident99 Ų9974.2 Ų74.239%0.38837%0.368SS..G310 helixtrans-63.3-33.5-176.8179.8-100.6000113.6N326 T330 F334 F441N326-Y439 PolarHBondContact OD1-N 2.85Å; T330-Y439 HydrophobicContact CG2-CD2 3.46Å; T330-Y439 VanDerWaalsContact CG2-CD2 3.46Å; T330-Y439 HydrophobicContact CG2-CE2 3.66Å; T330-Y439 HydrophobicContact CG2-CG 4.23Å; F334-Y439 HydrophobicContact CE2-CD2 4.42Å; Y439-F441 VanDerWaalsContact C-N 3.31Å; Y439-F441 PolarHBondContact O-N 3.4Å
440D73.3Confident82.3Confident49 Ų4973.7 Ų73.726%0.26236%0.358SS..G310 helixtrans-77-15.7-173.8-704.9000113.1N356 H357 L438N356-D440 PolarHBondContact N-OD2 3.42Å; N356-D440 PolarHBondContact ND2-OD1 3.41Å; H357-D440 IonicContact CD2-OD2 2.86Å; H357-D440 PolarHBondContact CD2-OD2 2.72Å; H357-D440 VanDerWaalsContact CD2-OD2 3.24Å; L438-D440 VanDerWaalsContact C-N 3.3Å; L438-D440 PolarHBondContact O-N 2.99Å
441F70.9Confident81.8Confident112 Ų11277.9 Ų77.949%0.49138%0.376SS..G310 helixtrans-104.812.7-177.3-64.7-81.7000113.6H357 L420 V435 L438 Y439H357-F441 AromaticContact NE2-CE2 3.66Å; L420-F441 HydrophobicContact CD2-CE2 4.07Å; L420-F441 HydrophobicContact CD2-CZ 3.78Å; V435-F441 HydrophobicContact CG1-CB 3.92Å; V435-F441 HydrophobicContact CG1-CG 4.21Å; L438-F441 HydrophobicContact CB-CD2 3.76Å; L438-F441 HydrophobicContact CD1-CD2 3.84Å; L438-F441 HydrophobicContact CD1-CE2 3.89Å; L438-F441 HydrophobicContact CG-CD2 4.47Å; L438-F441 PolarHBondContact O-N 3.07Å; Y439-F441 VanDerWaalsContact C-N 3.31Å; Y439-F441 PolarHBondContact O-N 3.4Å
442L59.5Low81.1Confident138 Ų13870.5 Ų70.572%0.72333%0.333SS*.  trans-118.70179.1-79.5157.6000111.5F334 L438F334-L442 HydrophobicContact CE1-CD1 3.29Å; F334-L442 HydrophobicContact CZ-CD1 3.37Å; L438-L442 WeakPolarHBondContact O-CD1 3.38Å

Retrieved 442 of 442 residues in 374.9 ms (Link to these results)

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