A0A077ZA58_TRITR Loading...

Intraflagellar transport protein 52

AlphaFold DB , UniProt , Accession A0A077ZA58, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 367 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
1M52.2Low78.9Confident188 Ų18889.4 Ų89.493%0.92647%0.466SS*.  0-49.50-64.5-140.1-8000111.9G3 I4 E5M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 3.3Å; M1-G3 VanDerWaalsContact O-N 3.08Å; M1-I4 PolarHBondContact O-N 3.23Å; M1-E5 PolarHBondContact O-N 2.98Å
2Q68.9Low79.3Confident164 Ų16493.8 Ų93.877%0.76648%0.482SS*.Hα-helixtrans-47.7-41.6178.4-70.8179.6-11.300115.1I4 T6Q2-I4 PolarHBondContact O-N 3.49Å; Q2-T6 PolarHBondContact O-N 3.38Å; Q2-T6 VanDerWaalsContact O-N 3.11Å; Q2-T6 PolarHBondContact O-OG1 2.97Å
3G76.2Confident79.6Confident51 Ų5192 Ų9253%0.52649%0.49SS..Hα-helixtrans-65-36.5178.400000114.7M1 T6 C7M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 3.3Å; M1-G3 VanDerWaalsContact O-N 3.08Å; G3-T6 PolarHBondContact O-N 3.41Å; G3-C7 PolarHBondContact O-N 3.38Å; G3-C7 PolarHBondContact O-SG 3.17Å
4I79Confident79.7Confident56 Ų5687.1 Ų87.129%0.28747%0.473SS..Hα-helixtrans-68.9-45.3-179.3-65.8176.4000109.9M1 Q2 T6 C7 Q8 F37M1-I4 PolarHBondContact O-N 3.23Å; Q2-I4 PolarHBondContact O-N 3.49Å; I4-T6 VanDerWaalsContact C-N 3.33Å; I4-T6 PolarHBondContact O-N 3.25Å; I4-C7 PolarHBondContact O-N 3.32Å; I4-Q8 WeakPolarHBondContact O-CG 3.35Å; I4-Q8 PolarHBondContact O-N 3.28Å; I4-F37 HydrophobicContact CG2-CB 4.09Å; I4-F37 HydrophobicContact CG2-CD2 3.75Å; I4-F37 HydrophobicContact CG2-CG 4.37Å
5E83.1Confident80Confident97 Ų9787.8 Ų87.845%0.45347%0.471SS..Hα-helixtrans-62.5-39.6176.7-67.4169.9-156.500111.7M1 Q8 K9M1-E5 PolarHBondContact O-N 2.98Å; E5-Q8 PolarHBondContact O-N 3.42Å; E5-K9 WeakPolarHBondContact O-CG 3.45Å; E5-K9 PolarHBondContact O-N 3.08Å
6T85.7Confident80.5Confident89 Ų8985.3 Ų85.355%0.54646%0.457SS..Hα-helixtrans-63.8-41.5174.9-58.20000111.6Q2 G3 I4 K9 F10Q2-T6 PolarHBondContact O-N 3.38Å; Q2-T6 VanDerWaalsContact O-N 3.11Å; Q2-T6 PolarHBondContact O-OG1 2.97Å; G3-T6 PolarHBondContact O-N 3.41Å; I4-T6 VanDerWaalsContact C-N 3.33Å; I4-T6 PolarHBondContact O-N 3.25Å; T6-K9 PolarHBondContact O-N 2.97Å; T6-F10 WeakPolarHBondContact O-CB 3.41Å; T6-F10 PolarHBondContact O-N 3.02Å
7C82.8Confident81Confident48 Ų4882.1 Ų82.132%0.32444%0.44SS..Hα-helixtrans-64-39.2175.1-69.30000112.2G3 I4 F10 V11 F37G3-C7 PolarHBondContact O-N 3.38Å; G3-C7 PolarHBondContact O-SG 3.17Å; I4-C7 PolarHBondContact O-N 3.32Å; C7-F10 WeakPolarHBondContact O-CB 3.38Å; C7-F10 PolarHBondContact O-N 2.86Å; C7-V11 WeakPolarHBondContact O-CG2 3.38Å; C7-V11 PolarHBondContact O-N 3.18Å; C7-F37 HydrophobicContact CB-CE2 3.59Å; C7-F37 HydrophobicContact CB-CZ 3.89Å
8Q83.9Confident81.5Confident61 Ų6181.4 Ų81.429%0.28543%0.433SS..Hα-helixtrans-62.8-47.6175-73174-14.600111.2I4 E5 F10 V11 E12 F37I4-Q8 WeakPolarHBondContact O-CG 3.35Å; I4-Q8 PolarHBondContact O-N 3.28Å; E5-Q8 PolarHBondContact O-N 3.42Å; Q8-F10 PolarHBondContact O-N 2.96Å; Q8-V11 PolarHBondContact O-N 3.31Å; Q8-E12 WeakPolarHBondContact O-CG 3.48Å; Q8-E12 PolarHBondContact O-N 2.94Å; Q8-F37 HydrophobicContact CG-CD2 4.3Å; Q8-F37 HydrophobicContact CG-CE2 4.06Å
9K86Confident81.9Confident134 Ų13478.2 Ų78.258%0.58342%0.417SS*.Hα-helixtrans-58-36.5173.6-71.5174.2-177.8174.30112.6E5 T6 E12 A13E5-K9 WeakPolarHBondContact O-CG 3.45Å; E5-K9 PolarHBondContact O-N 3.08Å; T6-K9 PolarHBondContact O-N 2.97Å; K9-E12 PolarHBondContact O-N 3.31Å; K9-A13 WeakPolarHBondContact O-CB 3.37Å; K9-A13 PolarHBondContact O-N 3.46Å
10F85Confident82.4Confident90 Ų9077.1 Ų77.140%0.39541%0.41SS..Hα-helixtrans-66.3-41.9177.6-175.6-102.8000112.2T6 C7 Q8 A13 H15T6-F10 WeakPolarHBondContact O-CB 3.41Å; T6-F10 PolarHBondContact O-N 3.02Å; C7-F10 WeakPolarHBondContact O-CB 3.38Å; C7-F10 PolarHBondContact O-N 2.86Å; Q8-F10 PolarHBondContact O-N 2.96Å; F10-A13 PolarHBondContact O-N 3.35Å; F10-H15 HydrophobicContact CD1-CB 3.62Å; F10-H15 HydrophobicContact CD2-CB 3.98Å; F10-H15 AromaticContact CD2-CD2 3.42Å; F10-H15 VanDerWaalsContact CD2-CD2 3.42Å; F10-H15 WeakPolarHBondContact CD2-CD2 3.42Å; F10-H15 AromaticContact CD2-CG 3.9Å; F10-H15 HydrophobicContact CE1-CB 3.23Å; F10-H15 HydrophobicContact CE2-CB 3.61Å; F10-H15 AromaticContact CE2-CD2 3.34Å; F10-H15 WeakPolarHBondContact CE2-CD2 3.37Å; F10-H15 AromaticContact CE2-CG 3.47Å; F10-H15 VanDerWaalsContact CE2-CG 3.47Å; F10-H15 HydrophobicContact CG-CB 3.99Å; F10-H15 HydrophobicContact CZ-CB 3.23Å; F10-H15 AromaticContact CZ-CD2 3.95Å; F10-H15 AromaticContact CZ-CG 3.57Å; F10-H15 WeakPolarHBondContact O-CB 3.32Å; F10-H15 PolarHBondContact O-N 3.31Å
11V84.8Confident82.6Confident5 Ų573.8 Ų73.83%0.0339%0.393CS..Hα-helixtrans-69.6-39.2175.41760000111.2C7 Q8 A13 G14 L17 Y41 V145C7-V11 WeakPolarHBondContact O-CG2 3.38Å; C7-V11 PolarHBondContact O-N 3.18Å; Q8-V11 PolarHBondContact O-N 3.31Å; V11-A13 VanDerWaalsContact C-N 3.3Å; V11-A13 PolarHBondContact O-N 3.14Å; V11-G14 PolarHBondContact O-N 3.16Å; V11-G14 VanDerWaalsContact O-N 3.09Å; V11-L17 HydrophobicContact CG2-CB 4.12Å; V11-L17 HydrophobicContact CG2-CD2 4.28Å; V11-Y41 HydrophobicContact CG1-CE1 3.96Å; V11-V145 HydrophobicContact CB-CG2 4.48Å; V11-V145 HydrophobicContact CG1-CG2 3.78Å; V11-V145 HydrophobicContact CG2-CG2 3.78Å
12E83.5Confident83.8Confident143 Ų14367.3 Ų67.367%0.66837%0.369SS*.Hα-helixtrans-63.4-33.9173.6-73.5176.2175.800112.7Q8 K9 G14Q8-E12 WeakPolarHBondContact O-CG 3.48Å; Q8-E12 PolarHBondContact O-N 2.94Å; K9-E12 PolarHBondContact O-N 3.31Å; E12-G14 PolarHBondContact O-N 3.38Å; E12-G14 VanDerWaalsContact O-N 3.12Å
13A83.5Confident83.8Confident70 Ų7060.4 Ų60.458%0.57934%0.34SS*.THydrogen-bonded Turntrans-68.2-2.7173.800000113.7K9 F10 V11K9-A13 WeakPolarHBondContact O-CB 3.37Å; K9-A13 PolarHBondContact O-N 3.46Å; F10-A13 PolarHBondContact O-N 3.35Å; V11-A13 VanDerWaalsContact C-N 3.3Å; V11-A13 PolarHBondContact O-N 3.14Å
14G81.1Confident83.1Confident24 Ų2465.5 Ų65.525%0.24735%0.348CS..THydrogen-bonded Turntrans91.86.9177.900000114.3V11 E12V11-G14 PolarHBondContact O-N 3.16Å; V11-G14 VanDerWaalsContact O-N 3.09Å; E12-G14 PolarHBondContact O-N 3.38Å; E12-G14 VanDerWaalsContact O-N 3.12Å
15H84.7Confident81.9Confident97 Ų9765.5 Ų65.545%0.44936%0.361SS..  trans-81.1160.3177.4-60-67.1000112.6F10 G143F10-H15 HydrophobicContact CD1-CB 3.62Å; F10-H15 HydrophobicContact CD2-CB 3.98Å; F10-H15 AromaticContact CD2-CD2 3.42Å; F10-H15 VanDerWaalsContact CD2-CD2 3.42Å; F10-H15 WeakPolarHBondContact CD2-CD2 3.42Å; F10-H15 AromaticContact CD2-CG 3.9Å; F10-H15 HydrophobicContact CE1-CB 3.23Å; F10-H15 HydrophobicContact CE2-CB 3.61Å; F10-H15 AromaticContact CE2-CD2 3.34Å; F10-H15 WeakPolarHBondContact CE2-CD2 3.37Å; F10-H15 AromaticContact CE2-CG 3.47Å; F10-H15 VanDerWaalsContact CE2-CG 3.47Å; F10-H15 HydrophobicContact CG-CB 3.99Å; F10-H15 HydrophobicContact CZ-CB 3.23Å; F10-H15 AromaticContact CZ-CD2 3.95Å; F10-H15 AromaticContact CZ-CG 3.57Å; F10-H15 WeakPolarHBondContact O-CB 3.32Å; F10-H15 PolarHBondContact O-N 3.31Å; H15-G143 VanDerWaalsContact O-CA 3.29Å; H15-G143 WeakPolarHBondContact O-CA 3.46Å
16N87.7Confident80.4Confident47 Ų4771.5 Ų71.525%0.25139%0.386SS..  trans-99136-177.6-57.4-43.7000110.4K144 L175N16-K144 CarbonylContact C-O 3.45Å; N16-K144 VanDerWaalsContact CA-O 3.27Å; N16-K144 WeakPolarHBondContact CA-O 3.46Å; N16-K144 HydrophobicContact CB-CB 4.45Å; N16-K144 WeakPolarHBondContact OD1-CB 3.4Å; N16-K144 PolarHBondContact OD1-N 3.05Å; N16-L175 HydrophobicContact CB-CD2 4.3Å; N16-L175 PolarHBondContact ND2-O 2.91Å
17L88.6Confident78.9Confident32 Ų3274.4 Ų74.417%0.16839%0.391CS..EExtended strand (participates in β ladder)trans-118.8127-179.9-176.366.7000110V11 V19 F37 K144 V145 L146V11-L17 HydrophobicContact CG2-CB 4.12Å; V11-L17 HydrophobicContact CG2-CD2 4.28Å; L17-V19 HydrophobicContact CD2-CG2 3.8Å; L17-V19 HydrophobicContact CG-CG2 3.77Å; L17-F37 HydrophobicContact CD2-CE1 3.73Å; L17-F37 HydrophobicContact CD2-CZ 3.45Å; L17-F37 VanDerWaalsContact CD2-CZ 3.45Å; L17-K144 PolarHBondContact N-O 3.06Å; L17-V145 HydrophobicContact CB-CG1 4.4Å; L17-V145 HydrophobicContact CB-CG2 4.3Å; L17-V145 HydrophobicContact CD2-CG1 4.29Å; L17-V145 WeakPolarHBondContact O-CA 3.45Å; L17-L146 PolarHBondContact O-N 2.97Å
18F90.4Very high77.8Confident69 Ų6973.9 Ų73.930%0.30339%0.394SS..EExtended strand (participates in β ladder)trans-111.7116.3173.5-175.2-139.6000110L20 L146 I148 F154 I171 L175F18-L20 HydrophobicContact CD1-CG 4.38Å; F18-L20 HydrophobicContact CE1-CD1 4.05Å; F18-L20 HydrophobicContact CE1-CD2 3.78Å; F18-L20 HydrophobicContact CE1-CG 3.94Å; F18-L20 HydrophobicContact CE2-CD2 3.81Å; F18-L20 HydrophobicContact CZ-CD1 4.49Å; F18-L20 HydrophobicContact CZ-CD2 3.41Å; F18-L20 VanDerWaalsContact CZ-CD2 3.41Å; F18-L20 HydrophobicContact CZ-CG 4.09Å; F18-L146 HydrophobicContact CD2-CB 4Å; F18-L146 HydrophobicContact CD2-CD2 3.65Å; F18-L146 HydrophobicContact CD2-CG 3.93Å; F18-L146 HydrophobicContact CE2-CD2 3.51Å; F18-L146 HydrophobicContact CE2-CG 3.99Å; F18-I148 HydrophobicContact CE2-CD1 3.68Å; F18-I148 HydrophobicContact CE2-CG1 4.05Å; F18-I148 HydrophobicContact CZ-CD1 3.9Å; F18-F154 HydrophobicContact CE1-CD2 4.44Å; F18-F154 HydrophobicContact CE1-CE2 4.2Å; F18-F154 HydrophobicContact CZ-CD2 4.29Å; F18-F154 AromaticContact CZ-CE2 3.63Å; F18-F154 HydrophobicContact CZ-CE2 3.63Å; F18-F154 HydrophobicContact CZ-CZ 4.36Å; F18-I171 HydrophobicContact CE2-CG2 4.06Å; F18-I171 HydrophobicContact CZ-CG2 4.09Å; F18-L175 HydrophobicContact CB-CD1 3.83Å; F18-L175 HydrophobicContact CD2-CD1 4.1Å; F18-L175 HydrophobicContact CG-CD1 4Å
19V90Very high76.8Confident21 Ų2180.7 Ų80.713%0.12742%0.417CS..EExtended strand (participates in β ladder)trans-113.2118.3-176.3-172.40000109.4L17 I21 L146 V147 I148L17-V19 HydrophobicContact CD2-CG2 3.8Å; L17-V19 HydrophobicContact CG-CG2 3.77Å; V19-I21 HydrophobicContact CG1-CD1 4.32Å; V19-I21 HydrophobicContact CG1-CG1 4Å; V19-L146 PolarHBondContact N-O 3.42Å; V19-V147 HydrophobicContact CB-CG1 4.47Å; V19-V147 HydrophobicContact CB-CG2 4.23Å; V19-V147 WeakPolarHBondContact O-CA 3.32Å; V19-I148 PolarHBondContact O-N 2.86Å
20L91.1Very high76.3Confident56 Ų5679.2 Ų79.229%0.29342%0.415SS..EExtended strand (participates in β ladder)trans-105.6132173.1-63.2-178.4000109.8F18 I148 F154F18-L20 HydrophobicContact CD1-CG 4.38Å; F18-L20 HydrophobicContact CE1-CD1 4.05Å; F18-L20 HydrophobicContact CE1-CD2 3.78Å; F18-L20 HydrophobicContact CE1-CG 3.94Å; F18-L20 HydrophobicContact CE2-CD2 3.81Å; F18-L20 HydrophobicContact CZ-CD1 4.49Å; F18-L20 HydrophobicContact CZ-CD2 3.41Å; F18-L20 VanDerWaalsContact CZ-CD2 3.41Å; F18-L20 HydrophobicContact CZ-CG 4.09Å; L20-I148 HydrophobicContact CD2-CB 3.86Å; L20-I148 HydrophobicContact CD2-CD1 4.38Å; L20-I148 HydrophobicContact CD2-CG1 4.45Å; L20-F154 HydrophobicContact CD1-CD2 4.06Å; L20-F154 HydrophobicContact CD2-CD2 4.18Å; L20-F154 HydrophobicContact CD2-CE2 3.96Å
21I86.9Confident76Confident7 Ų776.1 Ų76.14%0.03640%0.402CS..  trans-121.2132.6-175.1-53.8-179.8000109.5V19 L38 V45 V147 I148 G149 S150 N151V19-I21 HydrophobicContact CG1-CD1 4.32Å; V19-I21 HydrophobicContact CG1-CG1 4Å; I21-L38 HydrophobicContact CD1-CD1 4.34Å; I21-V45 HydrophobicContact CD1-CB 4.3Å; I21-V45 HydrophobicContact CD1-CG1 4.09Å; I21-V45 HydrophobicContact CD1-CG2 3.3Å; I21-V45 HydrophobicContact CG2-CG1 4.15Å; I21-V147 HydrophobicContact CD1-CG1 3.76Å; I21-V147 HydrophobicContact CG1-CG1 4.44Å; I21-I148 PolarHBondContact N-O 3.09Å; I21-G149 CarbonylContact O-C 3.58Å; I21-G149 VanDerWaalsContact O-O 3.11Å; I21-S150 CarbonylContact O-C 3.42Å; I21-S150 WeakPolarHBondContact O-CA 3.44Å; I21-S150 PolarHBondContact O-N 2.78Å; I21-N151 PolarHBondContact O-N 2.87Å
22A77.2Confident75.9Confident53 Ų5382.1 Ų82.144%0.43843%0.43SS..  trans-88.4131.5170.800000109.7N151A22-N151 HydrophobicContact CB-CB 3.95Å
23A67.9Low75.9Confident18 Ų1877.8 Ų77.815%0.14942%0.415CS..SBendtrans-70.7153.1169.700000111.2G25 Y100 C102A23-G25 PolarHBondContact O-N 3.01Å; A23-Y100 WeakPolarHBondContact CB-O 3.46Å; A23-Y100 PolarHBondContact N-O 3.27Å; A23-C102 HydrophobicContact CB-CB 3.91Å
24K61.9Low76Confident159 Ų15977.1 Ų77.169%0.69140%0.402SS*.  trans33.368.7166.7-148.9175.4-171.3173.30116
25G54.2Low76.4Confident55 Ų5577.3 Ų77.357%0.56740%0.397SS*.  trans-85.4164.3152.900000111A23 K27A23-G25 PolarHBondContact O-N 3.01Å; G25-K27 PolarHBondContact O-N 3.36Å
26K51.7Low76.6Confident223 Ų22377.7 Ų77.797%0.9740%0.403SS*.SBendtrans-64.925.4171.1-69.9-175.3176.61780114.1
27K53.5Low76.6Confident150 Ų15076.2 Ų76.265%0.65239%0.394SS*.  trans-136.663.5-170.3-62.8-173.9-179.4179.90111.3G25 R29 L30G25-K27 PolarHBondContact O-N 3.36Å; K27-R29 PolarHBondContact O-N 3.34Å; K27-R29 VanDerWaalsContact O-N 3.08Å; K27-L30 HydrophobicContact CB-CD1 3.92Å; K27-L30 HydrophobicContact CB-CG 4.2Å; K27-L30 HydrophobicContact CD-CD1 4Å; K27-L30 PolarHBondContact O-N 2.81Å
28G59.6Low76.6Confident38 Ų3874.7 Ų74.739%0.39239%0.386SS..Hα-helixtrans-53-27.8175.200000114.1L30 I31 E32G28-L30 PolarHBondContact O-N 3.19Å; G28-L30 VanDerWaalsContact O-N 3.14Å; G28-I31 PolarHBondContact O-N 3.39Å; G28-I31 VanDerWaalsContact O-N 3.07Å; G28-E32 PolarHBondContact O-N 3.13Å
29R64.5Low76.5Confident203 Ų20378.4 Ų78.477%0.76640%0.404SS*.Hα-helixtrans-56.7-28.8175.3-169.3175.3179-179.70.7114.2K27 S33K27-R29 PolarHBondContact O-N 3.34Å; K27-R29 VanDerWaalsContact O-N 3.08Å; R29-S33 PolarHBondContact O-N 3.44Å; R29-S33 PolarHBondContact O-OG 3.44Å
30L74.1Confident76.3Confident104 Ų10481.3 Ų81.355%0.54542%0.423SS..Hα-helixtrans-72-36.1178.5-68.6173.5000111.8K27 G28 L34K27-L30 HydrophobicContact CB-CD1 3.92Å; K27-L30 HydrophobicContact CB-CG 4.2Å; K27-L30 HydrophobicContact CD-CD1 4Å; K27-L30 PolarHBondContact O-N 2.81Å; G28-L30 PolarHBondContact O-N 3.19Å; G28-L30 VanDerWaalsContact O-N 3.14Å; L30-L34 WeakPolarHBondContact O-CB 3.11Å; L30-L34 WeakPolarHBondContact O-CG 3.44Å; L30-L34 PolarHBondContact O-N 2.94Å
31I78.4Confident76.1Confident25 Ų2579.4 Ų79.413%0.12841%0.412CS..Hα-helixtrans-68.6-40.6-179.3-61.1172.8000110.1G28 L34 N35 V45 D47G28-I31 PolarHBondContact O-N 3.39Å; G28-I31 VanDerWaalsContact O-N 3.07Å; I31-L34 PolarHBondContact O-N 2.96Å; I31-N35 WeakPolarHBondContact O-CB 3.37Å; I31-N35 VanDerWaalsContact O-CG 3.28Å; I31-N35 PolarHBondContact O-N 3.15Å; I31-N35 PolarHBondContact O-ND2 3.48Å; I31-V45 HydrophobicContact CG2-CB 4.48Å; I31-V45 HydrophobicContact CG2-CG1 4.5Å; I31-D47 HydrophobicContact CD1-CB 3.99Å; I31-D47 WeakPolarHBondContact CD1-OD1 3.33Å
32E83.7Confident76.2Confident131 Ų13179.6 Ų79.661%0.61242%0.416SS*.Hα-helixtrans-60.3-51.6175.3-67.9172.5175.600111.3G28 L34 N35 D36G28-E32 PolarHBondContact O-N 3.13Å; E32-L34 VanDerWaalsContact C-N 3.26Å; E32-L34 PolarHBondContact O-N 3.14Å; E32-N35 WeakPolarHBondContact O-CB 3.37Å; E32-N35 PolarHBondContact O-N 3.12Å; E32-N35 VanDerWaalsContact O-N 3.09Å; E32-D36 VanDerWaalsContact O-CG 3.3Å; E32-D36 PolarHBondContact O-N 2.89Å
33S83.7Confident76.9Confident51 Ų5177.2 Ų77.236%0.35740%0.396SS..Hα-helixtrans-63.4-31179.2-58.10000113.3R29 F37R29-S33 PolarHBondContact O-N 3.44Å; R29-S33 PolarHBondContact O-OG 3.44Å; S33-F37 PolarHBondContact O-N 3.47Å
34L85.8Confident78Confident56 Ų5682.1 Ų82.129%0.29341%0.414SS..Hα-helixtrans-73.9-38.3174.2-75.3170.4000111.7L30 I31 E32 D36 F37 L38L30-L34 WeakPolarHBondContact O-CB 3.11Å; L30-L34 WeakPolarHBondContact O-CG 3.44Å; L30-L34 PolarHBondContact O-N 2.94Å; I31-L34 PolarHBondContact O-N 2.96Å; E32-L34 VanDerWaalsContact C-N 3.26Å; E32-L34 PolarHBondContact O-N 3.14Å; L34-D36 VanDerWaalsContact C-N 3.31Å; L34-F37 WeakPolarHBondContact O-CB 3.4Å; L34-F37 PolarHBondContact O-N 3.09Å; L34-F37 VanDerWaalsContact O-N 3.14Å; L34-L38 WeakPolarHBondContact O-CB 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.5Å; L34-L38 PolarHBondContact O-N 3.4Å
35N89.4Confident79.4Confident29 Ų2974.8 Ų74.816%0.15538%0.382CS..Hα-helixtrans-63.8-38.5174.9-78.4-24.7000111.2I31 E32 F37 L38 E39 V45I31-N35 WeakPolarHBondContact O-CB 3.37Å; I31-N35 VanDerWaalsContact O-CG 3.28Å; I31-N35 PolarHBondContact O-N 3.15Å; I31-N35 PolarHBondContact O-ND2 3.48Å; E32-N35 WeakPolarHBondContact O-CB 3.37Å; E32-N35 PolarHBondContact O-N 3.12Å; E32-N35 VanDerWaalsContact O-N 3.09Å; N35-F37 PolarHBondContact O-N 3.46Å; N35-L38 PolarHBondContact O-N 2.9Å; N35-L38 VanDerWaalsContact O-N 3.16Å; N35-E39 WeakPolarHBondContact O-CB 3.43Å; N35-E39 PolarHBondContact O-N 2.91Å; N35-V45 PolarHBondContact ND2-O 3.41Å; N35-V45 VanDerWaalsContact ND2-O 3.13Å; N35-V45 WeakPolarHBondContact OD1-CB 3.33Å; N35-V45 PolarHBondContact OD1-N 3.28Å
36D88.1Confident81.1Confident105 Ų10574 Ų7456%0.56137%0.365SS*.Hα-helixtrans-60.4-35.8172.9-60.8-20.8000111.8E32 L34E32-D36 VanDerWaalsContact O-CG 3.3Å; E32-D36 PolarHBondContact O-N 2.89Å; L34-D36 VanDerWaalsContact C-N 3.31Å
37F87.1Confident82.8Confident15 Ų1568.3 Ų68.37%0.06635%0.345CS..Hα-helixtrans-73.3-35.3174.9170.5-109.8000113.1I4 C7 Q8 L17 S33 L34 N35 P40 Y41I4-F37 HydrophobicContact CG2-CB 4.09Å; I4-F37 HydrophobicContact CG2-CD2 3.75Å; I4-F37 HydrophobicContact CG2-CG 4.37Å; C7-F37 HydrophobicContact CB-CE2 3.59Å; C7-F37 HydrophobicContact CB-CZ 3.89Å; Q8-F37 HydrophobicContact CG-CD2 4.3Å; Q8-F37 HydrophobicContact CG-CE2 4.06Å; L17-F37 HydrophobicContact CD2-CE1 3.73Å; L17-F37 HydrophobicContact CD2-CZ 3.45Å; L17-F37 VanDerWaalsContact CD2-CZ 3.45Å; S33-F37 PolarHBondContact O-N 3.47Å; L34-F37 WeakPolarHBondContact O-CB 3.4Å; L34-F37 PolarHBondContact O-N 3.09Å; L34-F37 VanDerWaalsContact O-N 3.14Å; N35-F37 PolarHBondContact O-N 3.46Å; F37-P40 WeakPolarHBondContact O-CD 3.38Å; F37-P40 WeakPolarHBondContact O-CG 3.42Å; F37-Y41 HydrophobicContact CD2-CE2 4.48Å; F37-Y41 HydrophobicContact CE1-CE2 4.1Å; F37-Y41 AromaticContact CE2-CE2 3.96Å; F37-Y41 HydrophobicContact CE2-CE2 3.96Å; F37-Y41 AromaticContact CZ-CE2 3.75Å; F37-Y41 HydrophobicContact CZ-CE2 3.75Å; F37-Y41 WeakPolarHBondContact O-CE2 3.45Å
38L89.2Confident84.4Confident0 Ų063.2 Ų63.20%033%0.325CS..Hα-helixtrans-89.7-15.5-174.2-67176.6000114.5I21 L34 N35 Y41 G42 I43 V45 V147I21-L38 HydrophobicContact CD1-CD1 4.34Å; L34-L38 WeakPolarHBondContact O-CB 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.5Å; L34-L38 PolarHBondContact O-N 3.4Å; N35-L38 PolarHBondContact O-N 2.9Å; N35-L38 VanDerWaalsContact O-N 3.16Å; L38-Y41 HydrophobicContact CD2-CD2 4.09Å; L38-Y41 PolarHBondContact O-N 3.05Å; L38-G42 PolarHBondContact O-N 3.26Å; L38-I43 CarbonylContact C-O 3.59Å; L38-I43 HydrophobicContact CB-CB 4.29Å; L38-I43 WeakPolarHBondContact CB-O 3.4Å; L38-I43 HydrophobicContact CD1-CG2 4.31Å; L38-I43 PolarHBondContact O-N 2.92Å; L38-V45 HydrophobicContact CD1-CG2 3.7Å; L38-V147 HydrophobicContact CD1-CG1 4.23Å; L38-V147 HydrophobicContact CD1-CG2 4.36Å; L38-V147 HydrophobicContact CD2-CG2 3.84Å
39E88.1Confident85.8Confident148 Ų14862.9 Ų62.969%0.69232%0.317SS*.G310 helixtrans-48.8-48.9175-171.9171.3-158.600114N35 Y41 G42N35-E39 WeakPolarHBondContact O-CB 3.43Å; N35-E39 PolarHBondContact O-N 2.91Å; E39-Y41 PolarHBondContact O-N 3.27Å; E39-G42 PolarHBondContact O-N 2.97Å
40P85.7Confident87.1Confident81 Ų8153.2 Ų53.253%0.52628%0.28SS..G310 helixtrans-63.7-26.2178.324.9-36000113.6F37 G42F37-P40 WeakPolarHBondContact O-CD 3.38Å; F37-P40 WeakPolarHBondContact O-CG 3.42Å; P40-G42 VanDerWaalsContact C-N 3.33Å
41Y87.5Confident87.9Confident17 Ų1751.2 Ų51.27%0.06727%0.27CS..G310 helixtrans-84.2-9.8176.6-52.2-60.2000112.2V11 F37 L38 E39 C111 F132 V145V11-Y41 HydrophobicContact CG1-CE1 3.96Å; F37-Y41 HydrophobicContact CD2-CE2 4.48Å; F37-Y41 HydrophobicContact CE1-CE2 4.1Å; F37-Y41 AromaticContact CE2-CE2 3.96Å; F37-Y41 HydrophobicContact CE2-CE2 3.96Å; F37-Y41 AromaticContact CZ-CE2 3.75Å; F37-Y41 HydrophobicContact CZ-CE2 3.75Å; F37-Y41 WeakPolarHBondContact O-CE2 3.45Å; L38-Y41 HydrophobicContact CD2-CD2 4.09Å; L38-Y41 PolarHBondContact O-N 3.05Å; E39-Y41 PolarHBondContact O-N 3.27Å; Y41-C111 PolarHBondContact O-SG 3.47Å; Y41-F132 AromaticContact CD1-CD1 3.5Å; Y41-F132 HydrophobicContact CD1-CD1 3.5Å; Y41-F132 VanDerWaalsContact CD1-CD1 3.5Å; Y41-F132 HydrophobicContact CD1-CD2 4.49Å; Y41-F132 AromaticContact CD1-CE1 3.54Å; Y41-F132 HydrophobicContact CD1-CE1 3.54Å; Y41-F132 HydrophobicContact CD1-CG 4Å; Y41-F132 HydrophobicContact CD1-CZ 4.06Å; Y41-F132 HydrophobicContact CE1-CD1 4.22Å; Y41-F132 HydrophobicContact CE1-CE1 4.1Å; Y41-F132 HydrophobicContact CG-CD1 4.28Å; Y41-F132 HydrophobicContact CG-CG 4.39Å; Y41-F132 WeakPolarHBondContact O-CD2 3.36Å; Y41-V145 HydrophobicContact CD1-CG2 4.27Å; Y41-V145 HydrophobicContact CE1-CG2 4.03Å; Y41-V145 HydrophobicContact CE2-CG2 4.48Å
42G88.3Confident88.4Confident11 Ų1151.4 Ų51.411%0.11327%0.269CS..THydrogen-bonded Turntrans75.525.7-178.700000113.8L38 E39 P40 T107L38-G42 PolarHBondContact O-N 3.26Å; E39-G42 PolarHBondContact O-N 2.97Å; P40-G42 VanDerWaalsContact C-N 3.33Å; G42-T107 PolarHBondContact O-N 3.22Å
43I92.2Very high88.6Confident3 Ų348.4 Ų48.42%0.01526%0.26CS..EExtended strand (participates in β ladder)trans-113.1127.1176.8-56174.2000108.1L38 L106 C111 A130 V147L38-I43 CarbonylContact C-O 3.59Å; L38-I43 HydrophobicContact CB-CB 4.29Å; L38-I43 WeakPolarHBondContact CB-O 3.4Å; L38-I43 HydrophobicContact CD1-CG2 4.31Å; L38-I43 PolarHBondContact O-N 2.92Å; I43-L106 HydrophobicContact CB-CD2 4.35Å; I43-L106 HydrophobicContact CG1-CD2 4.06Å; I43-L106 HydrophobicContact CG2-CD2 4.05Å; I43-C111 HydrophobicContact CG1-CB 4.45Å; I43-C111 WeakPolarHBondContact CG1-SG 3.44Å; I43-A130 HydrophobicContact CD1-CB 3.94Å; I43-A130 HydrophobicContact CG1-CB 4.23Å; I43-V147 HydrophobicContact CD1-CB 4.23Å; I43-V147 HydrophobicContact CD1-CG2 3.66Å; I43-V147 HydrophobicContact CG2-CB 4.36Å; I43-V147 HydrophobicContact CG2-CG1 4.41Å; I43-V147 HydrophobicContact CG2-CG2 4.39Å
44K91.7Very high88.7Confident121 Ų12154.5 Ų54.553%0.52628%0.275SS..EExtended strand (participates in β ladder)trans-120.2135.9171.9-175.8177.1179.8176.60110L104 T105K44-L104 CarbonylContact O-C 3.44Å; K44-L104 WeakPolarHBondContact O-CA 3.38Å; K44-T105 PolarHBondContact N-O 3.04Å; K44-T105 PolarHBondContact O-N 2.88Å
45V90.8Very high88.5Confident4 Ų458.4 Ų58.42%0.02429%0.29CS..EExtended strand (participates in β ladder)trans-97.7128.2178.8-175.70000108.5I21 I31 N35 L38 C102 L104I21-V45 HydrophobicContact CD1-CB 4.3Å; I21-V45 HydrophobicContact CD1-CG1 4.09Å; I21-V45 HydrophobicContact CD1-CG2 3.3Å; I21-V45 HydrophobicContact CG2-CG1 4.15Å; I31-V45 HydrophobicContact CG2-CB 4.48Å; I31-V45 HydrophobicContact CG2-CG1 4.5Å; N35-V45 PolarHBondContact ND2-O 3.41Å; N35-V45 VanDerWaalsContact ND2-O 3.13Å; N35-V45 WeakPolarHBondContact OD1-CB 3.33Å; N35-V45 PolarHBondContact OD1-N 3.28Å; L38-V45 HydrophobicContact CD1-CG2 3.7Å; V45-C102 VanDerWaalsContact CG1-SG 3.58Å; V45-L104 HydrophobicContact CB-CD2 4.26Å; V45-L104 HydrophobicContact CG1-CD2 4.24Å; V45-L104 HydrophobicContact CG2-CD2 3.83Å
46N90.1Very high87.9Confident38 Ų3860.8 Ų60.820%0.20330%0.302CS..  trans-89.2145.6177.9-63.2-34.4000110.8D48 C102 T103 T105N46-D48 PolarHBondContact O-N 2.91Å; N46-D48 VanDerWaalsContact O-N 3.11Å; N46-C102 WeakPolarHBondContact O-CB 3.38Å; N46-T103 WeakPolarHBondContact CB-O 3.01Å; N46-T103 PolarHBondContact N-O 2.82Å; N46-T103 PolarHBondContact ND2-OG1 2.91Å; N46-T105 PolarHBondContact ND2-OG1 3.11Å; N46-T105 PolarHBondContact OD1-OG1 3.05Å
47D86.5Confident87.7Confident104 Ų10461.8 Ų61.856%0.55630%0.302SS*.SBendtrans-86.356.7172.3-170.126.3000110.6I31I31-D47 HydrophobicContact CD1-CB 3.99Å; I31-D47 WeakPolarHBondContact CD1-OD1 3.33Å
48D88.4Confident87.7Confident43 Ų4362.4 Ų62.423%0.2330%0.304CS..  trans-122.6174174.5681.8000111.1N46 C102 T103N46-D48 PolarHBondContact O-N 2.91Å; N46-D48 VanDerWaalsContact O-N 3.11Å; D48-C102 WeakPolarHBondContact O-CA 3.15Å; D48-C102 VanDerWaalsContact O-CB 3.25Å; D48-C102 WeakPolarHBondContact O-CB 2.98Å; D48-T103 PolarHBondContact OD1-N 3.39Å; D48-T103 PolarHBondContact OD1-OG1 2.93Å; D48-T103 VanDerWaalsContact OD1-OG1 3.07Å; D48-T103 WeakPolarHBondContact OD2-CG2 3.37Å; D48-T103 PolarHBondContact OD2-OG1 3.4Å
49S88.5Confident87.6Confident31 Ų3170.9 Ų70.922%0.21734%0.341CS..  trans-128.5130.117466.10000109.4I51 G101S49-I51 PolarHBondContact O-N 2.96Å; S49-G101 CarbonylContact C-O 3.36Å; S49-G101 WeakPolarHBondContact CA-O 3.28Å
50V91.4Very high87.7Confident0 Ų067 Ų670%032%0.323CS..  trans-73.1120.6173.3-177.90000108.4A64 Y98 G101 T103 C121 H122 L128V50-A64 HydrophobicContact CG1-CB 4.07Å; V50-Y98 HydrophobicContact CB-CD1 4.03Å; V50-Y98 HydrophobicContact CB-CE1 4.1Å; V50-Y98 HydrophobicContact CG1-CD1 4.31Å; V50-Y98 HydrophobicContact CG2-CD1 4.21Å; V50-Y98 HydrophobicContact CG2-CE1 3.82Å; V50-G101 PolarHBondContact N-O 2.74Å; V50-T103 HydrophobicContact CG2-CG2 3.65Å; V50-C121 HydrophobicContact CG1-CB 3.65Å; V50-H122 WeakPolarHBondContact CA-O 3.37Å; V50-L128 HydrophobicContact CG2-CD2 3.72Å
51I91.9Very high87.9Confident62 Ų6266.2 Ų66.232%0.31832%0.317SS..EExtended strand (participates in β ladder)trans-117.9143.9177.554.6165.8000109.2S49 P61 M62 C121 H122S49-I51 PolarHBondContact O-N 2.96Å; I51-P61 WeakPolarHBondContact CA-O 3.23Å; I51-M62 HydrophobicContact CG2-CG 4.1Å; I51-C121 CarbonylContact O-C 3.06Å; I51-C121 WeakPolarHBondContact O-CA 3.43Å; I51-H122 HydrophobicContact CG1-CB 4.12Å; I51-H122 WeakPolarHBondContact CG1-O 3.43Å; I51-H122 PolarHBondContact N-O 3.34Å; I51-H122 PolarHBondContact O-N 3.11Å
52R88.9Confident88Confident29 Ų2968.1 Ų68.111%0.10933%0.328CS..EExtended strand (participates in β ladder)trans-73.3143.1170.769.4-166.4-173.6165.3-1.6110.9R54 D56 Y58 F59 P61 A64R52-R54 WeakPolarHBondContact CD-O 3.42Å; R52-R54 WeakPolarHBondContact CG-O 3.42Å; R52-D56 PolarHBondContact NH1-O 3.47Å; R52-Y58 VanDerWaalsContact NH1-C 3.32Å; R52-Y58 PolarHBondContact NH1-O 3.26Å; R52-Y58 PolarHBondContact NH2-O 3.45Å; R52-F59 VanDerWaalsContact NH2-C 3.3Å; R52-F59 PolarHBondContact NH2-O 2.84Å; R52-P61 HydrophobicContact CG-CB 4.47Å; R52-P61 PolarHBondContact N-O 3.46Å; R52-A64 HydrophobicContact CB-CB 4.43Å
53T87.3Confident88.1Confident69 Ų6969.3 Ų69.342%0.42333%0.33SS..SBendtrans-87.3-21.5177.159.60000113.3M120 H122 F124T53-M120 PolarHBondContact N-O 3.21Å; T53-M120 PolarHBondContact OG1-O 3.28Å; T53-H122 HydrophobicContact CG2-CB 3.68Å; T53-F124 HydrophobicContact CG2-CE1 3.74Å; T53-F124 HydrophobicContact CG2-CZ 3.82Å
54R85.6Confident88Confident179 Ų17969.1 Ų69.168%0.67533%0.329SS*.SBendtrans-127.4147.9179.5-63.6-179.6-177.9-179.20.6110R52 D56R52-R54 WeakPolarHBondContact CD-O 3.42Å; R52-R54 WeakPolarHBondContact CG-O 3.42Å; R54-D56 PolarHBondContact O-N 2.68Å
55F82.8Confident88Confident138 Ų13864 Ų6461%0.60531%0.307SS*.  trans-71.9123171.9177.9-88.8000109.5Y58 F59F55-Y58 WeakPolarHBondContact CE2-O 3.46Å; F55-F59 AromaticContact CE2-CD1 3.98Å; F55-F59 HydrophobicContact CE2-CD1 3.98Å; F55-F59 HydrophobicContact CE2-CE1 4.37Å; F55-F59 HydrophobicContact CZ-CD1 4.25Å; F55-F59 HydrophobicContact CZ-CE1 4.21Å
56D75.3Confident88Confident79 Ų7963.8 Ų63.842%0.42231%0.306SS..  trans-149.2129170.1-167.711.6000109.9R52 R54 Y58R52-D56 PolarHBondContact NH1-O 3.47Å; R54-D56 PolarHBondContact O-N 2.68Å; D56-Y58 PolarHBondContact O-N 2.78Å
57K84.5Confident87.8Confident126 Ų12663.7 Ų63.755%0.54831%0.307SS..SBendtrans44.2-54.1-176-63.5-176.4-171.21760118.9E162K57-E162 WeakPolarHBondContact CD-OE1 3.28Å; K57-E162 IonicContact NZ-OE1 3.73Å; K57-E162 PolarHBondContact NZ-OE1 3.16Å; K57-E162 IonicContact NZ-OE2 3.95Å; K57-E162 PolarHBondContact NZ-OE2 3.17Å
58Y87.6Confident87.8Confident28 Ų2860.3 Ų60.311%0.1129%0.289CS..  trans-79.3158.5-177.4-58.8-71.1000111R52 F55 D56 E63 L65 V97 K161R52-Y58 VanDerWaalsContact NH1-C 3.32Å; R52-Y58 PolarHBondContact NH1-O 3.26Å; R52-Y58 PolarHBondContact NH2-O 3.45Å; F55-Y58 WeakPolarHBondContact CE2-O 3.46Å; D56-Y58 PolarHBondContact O-N 2.78Å; Y58-E63 HydrophobicContact CG-CB 4.42Å; Y58-L65 HydrophobicContact CD2-CB 4.33Å; Y58-L65 HydrophobicContact CE2-CB 4.43Å; Y58-L65 HydrophobicContact CE2-CD1 4.47Å; Y58-V97 HydrophobicContact CD2-CG1 4.47Å; Y58-V97 HydrophobicContact CD2-CG2 4.35Å; Y58-V97 HydrophobicContact CE1-CG2 4.39Å; Y58-V97 HydrophobicContact CE2-CG1 4.32Å; Y58-V97 HydrophobicContact CE2-CG2 3.45Å; Y58-V97 VanDerWaalsContact CE2-CG2 3.45Å; Y58-V97 VanDerWaalsContact CZ-CG2 3.49Å; Y58-V97 WeakPolarHBondContact OH-CG2 3.4Å; Y58-K161 HydrophobicContact CE1-CD 3.59Å; Y58-K161 HydrophobicContact CE1-CG 4.43Å
59F87.1Confident87.6Confident178 Ų17858.3 Ų58.378%0.78128%0.278SS*.SBendtrans-94.6-39179.1-71.5-80.3000112.3R52 F55R52-F59 VanDerWaalsContact NH2-C 3.3Å; R52-F59 PolarHBondContact NH2-O 2.84Å; F55-F59 AromaticContact CE2-CD1 3.98Å; F55-F59 HydrophobicContact CE2-CD1 3.98Å; F55-F59 HydrophobicContact CE2-CE1 4.37Å; F55-F59 HydrophobicContact CZ-CD1 4.25Å; F55-F59 HydrophobicContact CZ-CE1 4.21Å
60H89.9Confident87.3Confident66 Ų6657.5 Ų57.531%0.30627%0.272SS..SBendtrans-79.8131.8-175.5-164.8-93.7000111.7M62 E63 Y100H60-M62 VanDerWaalsContact C-N 3.27Å; H60-M62 WeakPolarHBondContact ND1-CB 3.21Å; H60-M62 PolarHBondContact ND1-N 3.44Å; H60-M62 VanDerWaalsContact ND1-N 3.2Å; H60-M62 PolarHBondContact O-N 3.33Å; H60-E63 HydrophobicContact CB-CB 4.37Å; H60-E63 HydrophobicContact CB-CG 3.97Å; H60-E63 WeakPolarHBondContact O-CB 3.36Å; H60-E63 PolarHBondContact O-N 3.04Å; H60-Y100 AromaticContact CE1-CE1 3.47Å; H60-Y100 VanDerWaalsContact CE1-CE1 3.47Å; H60-Y100 WeakPolarHBondContact CE1-CE1 3.28Å; H60-Y100 AromaticContact CE1-CZ 3.67Å; H60-Y100 PolarHBondContact CE1-OH 2.86Å; H60-Y100 AromaticContact ND1-CE1 3.92Å; H60-Y100 AromaticContact ND1-CZ 3.74Å; H60-Y100 PolarHBondContact ND1-OH 3.38Å
61P88.9Confident86.6Confident64 Ų6459.8 Ų59.842%0.41630%0.295SS..THydrogen-bonded Turntrans-67.3-25-177.126.1-34.3000114.1I51 R52 E63I51-P61 WeakPolarHBondContact CA-O 3.23Å; R52-P61 HydrophobicContact CG-CB 4.47Å; R52-P61 PolarHBondContact N-O 3.46Å; P61-E63 VanDerWaalsContact C-N 3.29Å
62M89.6Confident85.8Confident58 Ų5857.8 Ų57.829%0.28629%0.288SS..THydrogen-bonded Turntrans-82.6-3.5174.1-54179.6175.700113.1I51 H60 A64 P99 Y100I51-M62 HydrophobicContact CG2-CG 4.1Å; H60-M62 VanDerWaalsContact C-N 3.27Å; H60-M62 WeakPolarHBondContact ND1-CB 3.21Å; H60-M62 PolarHBondContact ND1-N 3.44Å; H60-M62 VanDerWaalsContact ND1-N 3.2Å; H60-M62 PolarHBondContact O-N 3.33Å; M62-A64 PolarHBondContact O-N 3.07Å; M62-P99 CarbonylContact O-C 3.53Å; M62-P99 WeakPolarHBondContact O-CA 3.38Å; M62-Y100 HydrophobicContact CB-CD1 3.91Å; M62-Y100 HydrophobicContact CB-CE1 4.11Å; M62-Y100 HydrophobicContact CB-CG 4.36Å; M62-Y100 HydrophobicContact CG-CD1 4.42Å; M62-Y100 PolarHBondContact O-N 2.82Å; M62-Y100 HydrophobicContact SD-CD1 3.61Å; M62-Y100 HydrophobicContact SD-CE1 3.82Å
63E90.3Very high84.9Confident35 Ų3560 Ų6016%0.16431%0.305CS..EExtended strand (participates in β ladder)trans-8969.8166.7-67.9175.2-167.700107.9Y58 H60 P61 L65 V97 P99 Y100 F158Y58-E63 HydrophobicContact CG-CB 4.42Å; H60-E63 HydrophobicContact CB-CB 4.37Å; H60-E63 HydrophobicContact CB-CG 3.97Å; H60-E63 WeakPolarHBondContact O-CB 3.36Å; H60-E63 PolarHBondContact O-N 3.04Å; P61-E63 VanDerWaalsContact C-N 3.29Å; E63-L65 PolarHBondContact O-N 2.65Å; E63-V97 HydrophobicContact CB-CG1 4.49Å; E63-P99 HydrophobicContact CG-CB 4.3Å; E63-Y100 HydrophobicContact CG-CE2 4.48Å; E63-F158 HydrophobicContact CB-CE1 4.48Å; E63-F158 HydrophobicContact CG-CE1 3.83Å; E63-F158 HydrophobicContact CG-CZ 3.9Å
64A90.1Very high83.9Confident0 Ų059.7 Ų59.70%031%0.309CS..EExtended strand (participates in β ladder)trans-77.3116.2-169.600000110.4V50 R52 M62 V66 Y98V50-A64 HydrophobicContact CG1-CB 4.07Å; R52-A64 HydrophobicContact CB-CB 4.43Å; M62-A64 PolarHBondContact O-N 3.07Å; A64-V66 PolarHBondContact O-N 3.07Å; A64-Y98 PolarHBondContact N-O 3.26Å; A64-Y98 PolarHBondContact O-N 2.73Å
65L91.4Very high83.2Confident12 Ų1251.5 Ų51.56%0.06328%0.279CS..EExtended strand (participates in β ladder)trans-79.2114.3171.9177.659.9000109.3Y58 E63 V67 V97 E162Y58-L65 HydrophobicContact CD2-CB 4.33Å; Y58-L65 HydrophobicContact CE2-CB 4.43Å; Y58-L65 HydrophobicContact CE2-CD1 4.47Å; E63-L65 PolarHBondContact O-N 2.65Å; L65-V67 HydrophobicContact CD2-CG2 4.38Å; L65-V67 HydrophobicContact CG-CG2 4.08Å; L65-V97 HydrophobicContact CD1-CG2 4.27Å; L65-E162 HydrophobicContact CD1-CG 3.73Å
66V90.8Very high82.7Confident0 Ų045.2 Ų45.20%025%0.252CS..EExtended strand (participates in β ladder)trans-98.4117.6178.1-175.90000108.7A64 K95 F96 S116 L128A64-V66 PolarHBondContact O-N 3.07Å; V66-K95 WeakPolarHBondContact O-CA 3.45Å; V66-F96 HydrophobicContact CB-CD1 4.34Å; V66-F96 HydrophobicContact CB-CD2 4.24Å; V66-F96 HydrophobicContact CB-CE1 3.89Å; V66-F96 HydrophobicContact CB-CE2 3.79Å; V66-F96 HydrophobicContact CB-CG 4.49Å; V66-F96 HydrophobicContact CB-CZ 3.6Å; V66-F96 HydrophobicContact CG1-CE1 3.78Å; V66-F96 HydrophobicContact CG1-CE2 4.26Å; V66-F96 HydrophobicContact CG1-CZ 3.58Å; V66-F96 HydrophobicContact CG2-CD2 4.45Å; V66-F96 HydrophobicContact CG2-CE2 3.82Å; V66-F96 HydrophobicContact CG2-CZ 3.98Å; V66-F96 PolarHBondContact N-O 3.04Å; V66-F96 PolarHBondContact O-N 2.98Å; V66-F96 VanDerWaalsContact O-N 3.09Å; V66-S116 VanDerWaalsContact CG1-O 3.28Å; V66-S116 WeakPolarHBondContact CG1-O 3.41Å; V66-L128 HydrophobicContact CG2-CD1 4.03Å
67V87.8Confident82.5Confident36 Ų3647 Ų4722%0.21826%0.26CS..SBendtrans-103.5-32-175.7176.90000112.7L65 K92 K95L65-V67 HydrophobicContact CD2-CG2 4.38Å; L65-V67 HydrophobicContact CG-CG2 4.08Å; V67-K92 WeakPolarHBondContact O-CA 3.27Å; V67-K95 HydrophobicContact CG1-CD 4.3Å; V67-K95 HydrophobicContact CG1-CG 4.21Å
68D85.5Confident81.7Confident34 Ų3444.1 Ų44.118%0.18225%0.252CS..SBendtrans-120.840.4-174.660.2-29.7000111.9S91 K92 G118 S119D68-S91 CarbonylContact C-O 3.12Å; D68-S91 VanDerWaalsContact C-O 3.25Å; D68-S91 VanDerWaalsContact CA-O 3.27Å; D68-S91 WeakPolarHBondContact CA-O 3.34Å; D68-K92 HydrophobicContact CB-CG 4.3Å; D68-G118 WeakPolarHBondContact OD1-CA 3.49Å; D68-S119 PolarHBondContact OD1-N 2.8Å; D68-S119 VanDerWaalsContact OD2-CB 3.22Å; D68-S119 WeakPolarHBondContact OD2-CB 3.44Å; D68-S119 PolarHBondContact OD2-N 2.93Å; D68-S119 PolarHBondContact OD2-OG 3.06Å
69G83.7Confident80.7Confident0 Ų043.3 Ų43.30%025%0.252CS..  trans-97.7-0.8-16800000116.3G71 S91 L115 S116G69-G71 PolarHBondContact O-N 2.61Å; G69-S91 PolarHBondContact N-O 3.39Å; G69-L115 CarbonylContact O-C 3.49Å; G69-L115 VanDerWaalsContact O-CA 3.28Å; G69-L115 WeakPolarHBondContact O-CA 3.2Å; G69-S116 WeakPolarHBondContact CA-O 3.44Å; G69-S116 PolarHBondContact O-N 3.11Å
70V83.5Confident79.7Confident15 Ų1537.8 Ų37.89%0.09125%0.245CC..BIsolated β-bridgetrans-79.2111.8-175.6-175.50000110.3A72 L75 S91 L94V70-A72 WeakPolarHBondContact CG1-O 3.35Å; V70-L75 HydrophobicContact CG1-CB 4.29Å; V70-L75 HydrophobicContact CG1-CD2 4.37Å; V70-S91 PolarHBondContact N-O 3.5Å; V70-L94 HydrophobicContact CG2-CB 3.79Å; V70-L94 HydrophobicContact CG2-CD1 4.17Å; V70-L94 HydrophobicContact CG2-CG 4.18Å
71G74.9Confident78.5Confident47 Ų4740.9 Ų40.949%0.48525%0.254SS..  trans-86.9-29-179.800000114G69 L114G69-G71 PolarHBondContact O-N 2.61Å; G71-L114 PolarHBondContact N-O 2.96Å
72A75.5Confident77Confident21 Ų2141.7 Ų41.717%0.17426%0.261CS..  trans-115.3119.4179.500000111.4V70 A74 L75 L114V70-A72 WeakPolarHBondContact CG1-O 3.35Å; A72-A74 PolarHBondContact O-N 3.08Å; A72-A74 VanDerWaalsContact O-N 3.13Å; A72-L75 WeakPolarHBondContact O-CB 3.43Å; A72-L75 PolarHBondContact O-N 2.92Å; A72-L114 HydrophobicContact CB-CD2 3.79Å
73T70.6Confident75.3Confident74 Ų7443.3 Ų43.345%0.45428%0.276SS..Hα-helixtrans-56.5-30.1175-46.10000112.3L75 A76 M77 C90T73-L75 PolarHBondContact O-N 3.05Å; T73-A76 WeakPolarHBondContact O-CB 3.42Å; T73-A76 PolarHBondContact O-N 3.05Å; T73-A76 VanDerWaalsContact O-N 3.15Å; T73-M77 HydrophobicContact CG2-CE 4.11Å; T73-M77 PolarHBondContact O-N 2.71Å; T73-M77 VanDerWaalsContact O-N 3.12Å; T73-C90 HydrophobicContact CG2-CB 4.39Å
74A67Low73.4Confident63 Ų6345.2 Ų45.252%0.52129%0.293SS..Hα-helixtrans-57.7-34.9175.100000112.8A72 M77 V78A72-A74 PolarHBondContact O-N 3.08Å; A72-A74 VanDerWaalsContact O-N 3.13Å; A74-M77 PolarHBondContact O-N 3.11Å; A74-V78 VanDerWaalsContact O-CG2 3.31Å; A74-V78 WeakPolarHBondContact O-CG2 3.42Å; A74-V78 PolarHBondContact O-N 2.76Å
75L70.8Confident71.5Confident8 Ų851.6 Ų51.64%0.04233%0.327CS..Hα-helixtrans-66.3-41.7177.7-168.876.2000111.3V70 A72 T73 M77 V78 A79 L94 L115 L167 T170V70-L75 HydrophobicContact CG1-CB 4.29Å; V70-L75 HydrophobicContact CG1-CD2 4.37Å; A72-L75 WeakPolarHBondContact O-CB 3.43Å; A72-L75 PolarHBondContact O-N 2.92Å; T73-L75 PolarHBondContact O-N 3.05Å; L75-M77 VanDerWaalsContact C-N 3.31Å; L75-M77 PolarHBondContact O-N 2.79Å; L75-V78 PolarHBondContact O-N 3.13Å; L75-A79 WeakPolarHBondContact O-CB 3.34Å; L75-A79 PolarHBondContact O-N 2.81Å; L75-L94 HydrophobicContact CD2-CD1 3.99Å; L75-L94 HydrophobicContact CG-CD1 4.23Å; L75-L115 HydrophobicContact CD2-CD2 3.62Å; L75-L167 HydrophobicContact CD2-CD1 4.2Å; L75-T170 HydrophobicContact CD1-CG2 3.39Å; L75-T170 HydrophobicContact CG-CG2 4.03Å
76A71.6Confident69.7Low5 Ų559.4 Ų59.44%0.04137%0.369CS..Hα-helixtrans-63.5-38.8176.500000111.7T73 A79 R81 A93T73-A76 WeakPolarHBondContact O-CB 3.42Å; T73-A76 PolarHBondContact O-N 3.05Å; T73-A76 VanDerWaalsContact O-N 3.15Å; A76-A79 PolarHBondContact O-N 2.9Å; A76-R81 PolarHBondContact O-N 3.38Å; A76-R81 VanDerWaalsContact O-N 3.11Å; A76-A93 HydrophobicContact CB-CB 3.84Å
77M72.1Confident67.8Low116 Ų11668.2 Ų68.257%0.57141%0.411SS*.Hα-helixtrans-65.7-45.8176.3-68.2177.7172.500112.5T73 A74 L75 A79 G80T73-M77 HydrophobicContact CG2-CE 4.11Å; T73-M77 PolarHBondContact O-N 2.71Å; T73-M77 VanDerWaalsContact O-N 3.12Å; A74-M77 PolarHBondContact O-N 3.11Å; L75-M77 VanDerWaalsContact C-N 3.31Å; L75-M77 PolarHBondContact O-N 2.79Å; M77-A79 VanDerWaalsContact C-N 3.29Å; M77-A79 PolarHBondContact O-N 2.84Å; M77-G80 PolarHBondContact O-N 3.01Å
78V66.9Low66.1Low66 Ų6674.6 Ų74.640%0.444%0.436SS..Hα-helixtrans-66.2-33.7178.9177.50000111.3A74 L75 G80 T170 M173A74-V78 VanDerWaalsContact O-CG2 3.31Å; A74-V78 WeakPolarHBondContact O-CG2 3.42Å; A74-V78 PolarHBondContact O-N 2.76Å; L75-V78 PolarHBondContact O-N 3.13Å; V78-G80 PolarHBondContact O-N 2.93Å; V78-T170 HydrophobicContact CB-CG2 3.85Å; V78-T170 HydrophobicContact CG1-CG2 3.7Å; V78-M173 HydrophobicContact CG1-CB 4.19Å; V78-M173 HydrophobicContact CG1-SD 4.42Å
79A67.5Low65.1Low11 Ų1176 Ų769%0.09145%0.448CS..THydrogen-bonded Turntrans-68.72.2173.600000113.8L75 A76 M77 R81 L94 L166 T170L75-A79 WeakPolarHBondContact O-CB 3.34Å; L75-A79 PolarHBondContact O-N 2.81Å; A76-A79 PolarHBondContact O-N 2.9Å; M77-A79 VanDerWaalsContact C-N 3.29Å; M77-A79 PolarHBondContact O-N 2.84Å; A79-R81 PolarHBondContact O-N 2.92Å; A79-L94 HydrophobicContact CB-CD1 4.42Å; A79-L94 HydrophobicContact CB-CD2 4.21Å; A79-L166 HydrophobicContact CB-CD1 4.31Å; A79-L166 HydrophobicContact CB-CD2 4.21Å; A79-L166 HydrophobicContact CB-CG 4.19Å; A79-T170 HydrophobicContact CB-CG2 4.41Å
80G65.8Low64.2Low63 Ų6378.3 Ų78.365%0.64946%0.463SS*.THydrogen-bonded Turntrans73.910.2-179.900000114M77 V78 S82M77-G80 PolarHBondContact O-N 3.01Å; V78-G80 PolarHBondContact O-N 2.93Å; G80-S82 PolarHBondContact O-N 2.86Å
81R64.2Low63.6Low131 Ų13179.6 Ų79.649%0.49447%0.473SS..  trans-86.894.8173.6-61.5-65.6-171.8179.3-0.4107.8A76 A79A76-R81 PolarHBondContact O-N 3.38Å; A76-R81 VanDerWaalsContact O-N 3.11Å; A79-R81 PolarHBondContact O-N 2.92Å
82S56.4Low63.7Low80 Ų8082.5 Ų82.556%0.55947%0.473SS*.  trans-61.1142.2167.850.70000109.4G80 S84G80-S82 PolarHBondContact O-N 2.86Å; S82-S84 PolarHBondContact O-N 2.71Å; S82-S84 PolarHBondContact OG-OG 3.24Å
83P54.6Low63.7Low92 Ų9282.9 Ų82.960%0.59748%0.475SS*.  trans-70.865.7162.732.8-34.1000108.3
84S51.5Low64.3Low75 Ų7579.4 Ų79.452%0.52445%0.454SS..  trans-86116.4167.949.60000106.5S82S82-S84 PolarHBondContact O-N 2.71Å; S82-S84 PolarHBondContact OG-OG 3.24Å
85D49.8Very low65.3Low134 Ų13481 Ų8172%0.71745%0.449SS*.SBendtrans98.9112.5175.2-51.6-22.7000115.2E87 F88D85-E87 PolarHBondContact O-N 2.98Å; D85-F88 PolarHBondContact O-N 2.95Å
86D53.7Low66.3Low177 Ų17780.6 Ų80.695%0.94745%0.447SS*.THydrogen-bonded Turntrans-57.912-167.1-71.9-48.5000117.5
87E50.4Low67.3Low185 Ų18580.4 Ų80.486%0.86445%0.445SS*.THydrogen-bonded Turntrans-135.7-6.8-179.5-66-170.4164.500115D85 S89D85-E87 PolarHBondContact O-N 2.98Å; E87-S89 PolarHBondContact O-N 3.3Å
88F52.3Low68.3Low170 Ų17074.9 Ų74.975%0.74642%0.418SS*.SBendtrans-84.2102.5173.9-102.4-89.4000110.8D85 C90D85-F88 PolarHBondContact O-N 2.95Å; F88-C90 PolarHBondContact O-N 3.15Å
89S64.3Low69.5Low64 Ų6471.7 Ų71.745%0.44840%0.399SS..  trans-53.3124.2175.7-45.70000110.7E87 S91 K92E87-S89 PolarHBondContact O-N 3.3Å; S89-S91 PolarHBondContact O-N 3.34Å; S89-K92 PolarHBondContact O-N 3.37Å
90C64.9Low70.5Confident47 Ų4775.2 Ų75.232%0.31841%0.411SS..G310 helixtrans-51.5-24.5178.8-71.50000113.6T73 F88 K92 A93T73-C90 HydrophobicContact CG2-CB 4.39Å; F88-C90 PolarHBondContact O-N 3.15Å; C90-K92 PolarHBondContact O-N 3.03Å; C90-A93 VanDerWaalsContact O-CB 3.26Å; C90-A93 WeakPolarHBondContact O-CB 3.39Å; C90-A93 PolarHBondContact O-N 2.86Å
91S70.5Confident71.7Confident43 Ų4372.2 Ų72.230%0.30138%0.38SS..G310 helixtrans-60.9-26.4174.754.30000114D68 G69 V70 S89D68-S91 CarbonylContact C-O 3.12Å; D68-S91 VanDerWaalsContact C-O 3.25Å; D68-S91 VanDerWaalsContact CA-O 3.27Å; D68-S91 WeakPolarHBondContact CA-O 3.34Å; G69-S91 PolarHBondContact N-O 3.39Å; V70-S91 PolarHBondContact N-O 3.5Å; S89-S91 PolarHBondContact O-N 3.34Å
92K76.5Confident72.9Confident108 Ų10866 Ų6647%0.4736%0.357SS..G310 helixtrans-95.78.3-179.3-62.1-179.6-177.61730113.9V67 D68 S89 C90 L94V67-K92 WeakPolarHBondContact O-CA 3.27Å; D68-K92 HydrophobicContact CB-CG 4.3Å; S89-K92 PolarHBondContact O-N 3.37Å; C90-K92 PolarHBondContact O-N 3.03Å; K92-L94 VanDerWaalsContact C-N 3.28Å; K92-L94 PolarHBondContact O-N 2.79Å
93A76Confident74.7Confident28 Ų2862.3 Ų62.323%0.23133%0.33CS..SBendtrans-67.7-26.9-173.800000113.6A76 C90A76-A93 HydrophobicContact CB-CB 3.84Å; C90-A93 VanDerWaalsContact O-CB 3.26Å; C90-A93 WeakPolarHBondContact O-CB 3.39Å; C90-A93 PolarHBondContact O-N 2.86Å
94L83.3Confident76.5Confident2 Ų257.9 Ų57.91%0.0130%0.302CS..  trans-130.3131.3-179.4-65.4172.1000110.2V70 L75 A79 K92 D163 L166V70-L94 HydrophobicContact CG2-CB 3.79Å; V70-L94 HydrophobicContact CG2-CD1 4.17Å; V70-L94 HydrophobicContact CG2-CG 4.18Å; L75-L94 HydrophobicContact CD2-CD1 3.99Å; L75-L94 HydrophobicContact CG-CD1 4.23Å; A79-L94 HydrophobicContact CB-CD1 4.42Å; A79-L94 HydrophobicContact CB-CD2 4.21Å; K92-L94 VanDerWaalsContact C-N 3.28Å; K92-L94 PolarHBondContact O-N 2.79Å; L94-D163 HydrophobicContact CD2-CB 4.19Å; L94-L166 HydrophobicContact CD2-CD2 3.64Å; L94-L166 HydrophobicContact CD2-CG 4.26Å
95K88.8Confident78.4Confident95 Ų9557.4 Ų57.441%0.41330%0.296SS..  trans-109.8122.5171.2-61.9-179.3-174.4173.30108.4V66 V67 E162 D163V66-K95 WeakPolarHBondContact O-CA 3.45Å; V67-K95 HydrophobicContact CG1-CD 4.3Å; V67-K95 HydrophobicContact CG1-CG 4.21Å; K95-E162 WeakPolarHBondContact O-CB 3.28Å; K95-D163 PolarHBondContact N-OD2 3.5Å; K95-D163 VanDerWaalsContact O-CB 3.26Å; K95-D163 WeakPolarHBondContact O-CB 3.48Å; K95-D163 PolarHBondContact O-N 3.13Å
96F91.4Very high80.4Confident1 Ų152.9 Ų52.90%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-135.2149.5-177.363-88.2000110.9V66 Y98 L115 L128 I153 N164 L167V66-F96 HydrophobicContact CB-CD1 4.34Å; V66-F96 HydrophobicContact CB-CD2 4.24Å; V66-F96 HydrophobicContact CB-CE1 3.89Å; V66-F96 HydrophobicContact CB-CE2 3.79Å; V66-F96 HydrophobicContact CB-CG 4.49Å; V66-F96 HydrophobicContact CB-CZ 3.6Å; V66-F96 HydrophobicContact CG1-CE1 3.78Å; V66-F96 HydrophobicContact CG1-CE2 4.26Å; V66-F96 HydrophobicContact CG1-CZ 3.58Å; V66-F96 HydrophobicContact CG2-CD2 4.45Å; V66-F96 HydrophobicContact CG2-CE2 3.82Å; V66-F96 HydrophobicContact CG2-CZ 3.98Å; V66-F96 PolarHBondContact N-O 3.04Å; V66-F96 PolarHBondContact O-N 2.98Å; V66-F96 VanDerWaalsContact O-N 3.09Å; F96-Y98 HydrophobicContact CE2-CD2 4.25Å; F96-L115 HydrophobicContact CE1-CD1 4.31Å; F96-L115 HydrophobicContact CE1-CD2 3.78Å; F96-L115 HydrophobicContact CE1-CG 4.47Å; F96-L115 HydrophobicContact CE2-CD1 4.13Å; F96-L115 HydrophobicContact CZ-CB 4.07Å; F96-L115 HydrophobicContact CZ-CD1 3.9Å; F96-L115 HydrophobicContact CZ-CD2 4.04Å; F96-L115 HydrophobicContact CZ-CG 4.23Å; F96-L128 HydrophobicContact CE2-CD1 4.12Å; F96-L128 HydrophobicContact CZ-CD1 4.16Å; F96-I153 HydrophobicContact CD2-CD1 4.33Å; F96-N164 VanDerWaalsContact CA-OD1 3.28Å; F96-N164 WeakPolarHBondContact CA-OD1 3.38Å; F96-N164 WeakPolarHBondContact CB-OD1 3.14Å; F96-L167 HydrophobicContact CB-CD2 4.35Å; F96-L167 HydrophobicContact CD2-CD2 4.45Å; F96-L167 HydrophobicContact CG-CD2 4.32Å
97V92.7Very high82Confident0 Ų048.6 Ų48.60%025%0.252CS..EExtended strand (participates in β ladder)trans-90.9125.3174.3-172.80000107.9Y58 E63 L65 P99 I153 F158 K161 E162 N164Y58-V97 HydrophobicContact CD2-CG1 4.47Å; Y58-V97 HydrophobicContact CD2-CG2 4.35Å; Y58-V97 HydrophobicContact CE1-CG2 4.39Å; Y58-V97 HydrophobicContact CE2-CG1 4.32Å; Y58-V97 HydrophobicContact CE2-CG2 3.45Å; Y58-V97 VanDerWaalsContact CE2-CG2 3.45Å; Y58-V97 VanDerWaalsContact CZ-CG2 3.49Å; Y58-V97 WeakPolarHBondContact OH-CG2 3.4Å; E63-V97 HydrophobicContact CB-CG1 4.49Å; L65-V97 HydrophobicContact CD1-CG2 4.27Å; V97-P99 VanDerWaalsContact C-CD 3.49Å; V97-P99 WeakPolarHBondContact O-CD 3.48Å; V97-I153 WeakPolarHBondContact O-CG1 3.46Å; V97-F158 HydrophobicContact CB-CD1 4.44Å; V97-F158 HydrophobicContact CG1-CD1 3.86Å; V97-F158 HydrophobicContact CG1-CE1 4.2Å; V97-K161 HydrophobicContact CG2-CB 3.95Å; V97-E162 HydrophobicContact CG2-CB 4.47Å; V97-E162 HydrophobicContact CG2-CG 3.77Å; V97-N164 PolarHBondContact N-OD1 3.09Å; V97-N164 PolarHBondContact O-ND2 3.04Å; V97-N164 VanDerWaalsContact O-ND2 3.09Å
98Y92.8Very high83.3Confident0 Ų049.8 Ų49.80%025%0.254CS..EExtended strand (participates in β ladder)trans-111.884.2179.4-168.1-109.1000110.2V50 A64 F96 C102 L128 I148 G149 S150 I153V50-Y98 HydrophobicContact CB-CD1 4.03Å; V50-Y98 HydrophobicContact CB-CE1 4.1Å; V50-Y98 HydrophobicContact CG1-CD1 4.31Å; V50-Y98 HydrophobicContact CG2-CD1 4.21Å; V50-Y98 HydrophobicContact CG2-CE1 3.82Å; A64-Y98 PolarHBondContact N-O 3.26Å; A64-Y98 PolarHBondContact O-N 2.73Å; F96-Y98 HydrophobicContact CE2-CD2 4.25Å; Y98-C102 PolarHBondContact OH-O 2.8Å; Y98-L128 HydrophobicContact CD1-CD1 4.06Å; Y98-L128 HydrophobicContact CD1-CD2 4.33Å; Y98-L128 HydrophobicContact CD2-CD1 4.23Å; Y98-L128 HydrophobicContact CE1-CD1 4.17Å; Y98-L128 HydrophobicContact CE1-CD2 3.74Å; Y98-L128 HydrophobicContact CE1-CG 4.37Å; Y98-L128 HydrophobicContact CE2-CB 4.17Å; Y98-L128 HydrophobicContact CE2-CD1 4.39Å; Y98-L128 HydrophobicContact CG-CD1 4.06Å; Y98-I148 HydrophobicContact CE2-CG2 4.02Å; Y98-G149 WeakPolarHBondContact OH-CA 3.4Å; Y98-G149 PolarHBondContact OH-N 2.76Å; Y98-G149 PolarHBondContact OH-O 3.3Å; Y98-G149 VanDerWaalsContact OH-O 3.13Å; Y98-S150 VanDerWaalsContact CE2-CB 3.47Å; Y98-I153 HydrophobicContact CD2-CD1 4.1Å
99P91.5Very high84.5Confident0 Ų045.5 Ų45.50%026%0.258CS..EExtended strand (participates in β ladder)trans-80.5134.9-175.833.1-36.2000111.9M62 E63 V97 G101 S150 I152 F158M62-P99 CarbonylContact O-C 3.53Å; M62-P99 WeakPolarHBondContact O-CA 3.38Å; E63-P99 HydrophobicContact CG-CB 4.3Å; V97-P99 VanDerWaalsContact C-CD 3.49Å; V97-P99 WeakPolarHBondContact O-CD 3.48Å; P99-G101 PolarHBondContact O-N 3.32Å; P99-S150 PolarHBondContact O-OG 2.96Å; P99-I152 HydrophobicContact CB-CG2 4.38Å; P99-I152 HydrophobicContact CG-CB 4.03Å; P99-I152 HydrophobicContact CG-CG2 4.03Å; P99-F158 HydrophobicContact CB-CD1 4.18Å; P99-F158 HydrophobicContact CB-CD2 4.23Å; P99-F158 HydrophobicContact CB-CE1 3.9Å; P99-F158 HydrophobicContact CB-CE2 3.94Å; P99-F158 HydrophobicContact CB-CG 4.35Å; P99-F158 HydrophobicContact CB-CZ 3.77Å; P99-F158 HydrophobicContact CG-CB 4.45Å; P99-F158 HydrophobicContact CG-CD1 4.09Å; P99-F158 HydrophobicContact CG-CD2 3.89Å; P99-F158 HydrophobicContact CG-CE1 4.31Å; P99-F158 HydrophobicContact CG-CE2 4.11Å; P99-F158 HydrophobicContact CG-CG 3.88Å; P99-F158 HydrophobicContact CG-CZ 4.32Å
100Y89.6Confident85.1Confident85 Ų8544.6 Ų44.633%0.33325%0.254SS..THydrogen-bonded Turntrans45.141.4171.7-58.8-86.4000113.4A23 H60 M62 E63 I152A23-Y100 WeakPolarHBondContact CB-O 3.46Å; A23-Y100 PolarHBondContact N-O 3.27Å; H60-Y100 AromaticContact CE1-CE1 3.47Å; H60-Y100 VanDerWaalsContact CE1-CE1 3.47Å; H60-Y100 WeakPolarHBondContact CE1-CE1 3.28Å; H60-Y100 AromaticContact CE1-CZ 3.67Å; H60-Y100 PolarHBondContact CE1-OH 2.86Å; H60-Y100 AromaticContact ND1-CE1 3.92Å; H60-Y100 AromaticContact ND1-CZ 3.74Å; H60-Y100 PolarHBondContact ND1-OH 3.38Å; M62-Y100 HydrophobicContact CB-CD1 3.91Å; M62-Y100 HydrophobicContact CB-CE1 4.11Å; M62-Y100 HydrophobicContact CB-CG 4.36Å; M62-Y100 HydrophobicContact CG-CD1 4.42Å; M62-Y100 PolarHBondContact O-N 2.82Å; M62-Y100 HydrophobicContact SD-CD1 3.61Å; M62-Y100 HydrophobicContact SD-CE1 3.82Å; E63-Y100 HydrophobicContact CG-CE2 4.48Å; Y100-I152 HydrophobicContact CD2-CD1 4.01Å; Y100-I152 HydrophobicContact CG-CD1 4.34Å
101G90.9Very high85.9Confident0 Ų043.3 Ų43.30%025%0.246CC..PPolyproline II helixtrans-103.6158.4-176.700000113.3S49 V50 P99 G149S49-G101 CarbonylContact C-O 3.36Å; S49-G101 WeakPolarHBondContact CA-O 3.28Å; V50-G101 PolarHBondContact N-O 2.74Å; P99-G101 PolarHBondContact O-N 3.32Å; G101-G149 CarbonylContact C-O 3.51Å; G101-G149 WeakPolarHBondContact CA-O 3.47Å
102C90Very high86.6Confident1 Ų143.7 Ų43.71%0.00725%0.252CS..PPolyproline II helixtrans-103.7169.5176.858.20000111.3A23 V45 N46 D48 Y98 G149A23-C102 HydrophobicContact CB-CB 3.91Å; V45-C102 VanDerWaalsContact CG1-SG 3.58Å; N46-C102 WeakPolarHBondContact O-CB 3.38Å; D48-C102 WeakPolarHBondContact O-CA 3.15Å; D48-C102 VanDerWaalsContact O-CB 3.25Å; D48-C102 WeakPolarHBondContact O-CB 2.98Å; Y98-C102 PolarHBondContact OH-O 2.8Å; C102-G149 PolarHBondContact N-O 2.83Å; C102-G149 VanDerWaalsContact SG-CA 3.55Å; C102-G149 PolarHBondContact SG-O 3.49Å; C102-G149 VanDerWaalsContact SG-O 3.37Å
103T92.7Very high87.2Confident1 Ų141.9 Ų41.91%0.00625%0.245CC..PPolyproline II helixtrans-91156.1170.571.80000111.5N46 D48 V50 P123 Q126N46-T103 WeakPolarHBondContact CB-O 3.01Å; N46-T103 PolarHBondContact N-O 2.82Å; N46-T103 PolarHBondContact ND2-OG1 2.91Å; D48-T103 PolarHBondContact OD1-N 3.39Å; D48-T103 PolarHBondContact OD1-OG1 2.93Å; D48-T103 VanDerWaalsContact OD1-OG1 3.07Å; D48-T103 WeakPolarHBondContact OD2-CG2 3.37Å; D48-T103 PolarHBondContact OD2-OG1 3.4Å; V50-T103 HydrophobicContact CG2-CG2 3.65Å; T103-P123 HydrophobicContact CG2-CG 4.1Å; T103-Q126 HydrophobicContact CG2-CB 3.66Å; T103-Q126 HydrophobicContact CG2-CG 4.05Å
104L92.3Very high87.8Confident0 Ų041.1 Ų41.10%024%0.237CC..EExtended strand (participates in β ladder)trans-112.5147.5174.4-53.4177000109.2K44 V45 L106 S127 L128 A130 V147K44-L104 CarbonylContact O-C 3.44Å; K44-L104 WeakPolarHBondContact O-CA 3.38Å; V45-L104 HydrophobicContact CB-CD2 4.26Å; V45-L104 HydrophobicContact CG1-CD2 4.24Å; V45-L104 HydrophobicContact CG2-CD2 3.83Å; L104-L106 HydrophobicContact CB-CD2 4.3Å; L104-S127 VanDerWaalsContact C-OG 3.25Å; L104-S127 WeakPolarHBondContact CB-OG 3.29Å; L104-S127 PolarHBondContact N-O 3.38Å; L104-S127 PolarHBondContact O-OG 3.01Å; L104-L128 WeakPolarHBondContact CD1-O 3.25Å; L104-A130 HydrophobicContact CD1-CB 4.18Å; L104-V147 HydrophobicContact CD1-CG1 4.3Å; L104-V147 HydrophobicContact CD2-CG1 4.39Å
105T92Very high88.1Confident65 Ų6541 Ų4140%0.39924%0.236SC..EExtended strand (participates in β ladder)trans-114.3123.6169.8-65.40000108.7K44 N46K44-T105 PolarHBondContact N-O 3.04Å; K44-T105 PolarHBondContact O-N 2.88Å; N46-T105 PolarHBondContact ND2-OG1 3.11Å; N46-T105 PolarHBondContact OD1-OG1 3.05Å
106L91.1Very high88.3Confident38 Ų3837.1 Ų37.120%0.19922%0.221CC..EExtended strand (participates in β ladder)trans-111.3137-172.5-53178.1000111.1I43 L104 K108 Q113 S127 A130I43-L106 HydrophobicContact CB-CD2 4.35Å; I43-L106 HydrophobicContact CG1-CD2 4.06Å; I43-L106 HydrophobicContact CG2-CD2 4.05Å; L104-L106 HydrophobicContact CB-CD2 4.3Å; L106-K108 PolarHBondContact O-N 2.99Å; L106-Q113 HydrophobicContact CD1-CB 3.82Å; L106-Q113 HydrophobicContact CD1-CG 4.35Å; L106-S127 WeakPolarHBondContact CG-OG 3.02Å; L106-A130 HydrophobicContact CD1-CB 3.82Å; L106-A130 HydrophobicContact CD2-CB 3.3Å; L106-A130 HydrophobicContact CG-CB 4.19Å
107T88Confident88.2Confident88 Ų8837 Ų3754%0.5422%0.22SC..  trans-77.4120.8170-58.70000109.6G42 G109 A110G42-T107 PolarHBondContact O-N 3.22Å; T107-G109 PolarHBondContact O-N 3.35Å; T107-A110 PolarHBondContact O-N 3.12Å
108K78.6Confident88Confident209 Ų20937 Ų3791%0.90922%0.22SC*.BIsolated β-bridgetrans-56.5126.9-178-64-178-178.9179.90110.8L106L106-K108 PolarHBondContact O-N 2.99Å
109G76.3Confident87.7Confident81 Ų8139.6 Ų39.684%0.83524%0.238SC*.THydrogen-bonded Turntrans92.7-18.2174.800000115.6T107T107-G109 PolarHBondContact O-N 3.35Å
110A76.9Confident87.4Confident44 Ų4442.7 Ų42.736%0.36425%0.253SS..THydrogen-bonded Turntrans-86.7-39.1174.300000112.2T107 F132T107-A110 PolarHBondContact O-N 3.12Å; A110-F132 WeakPolarHBondContact O-CD2 3.35Å
111C82Confident87.4Confident21 Ų2138.6 Ų38.614%0.14224%0.238CC..EExtended strand (participates in β ladder)trans-123.8151.6-174.8-77.60000112.9Y41 I43Y41-C111 PolarHBondContact O-SG 3.47Å; I43-C111 HydrophobicContact CG1-CB 4.45Å; I43-C111 WeakPolarHBondContact CG1-SG 3.44Å
112A85.6Confident87.5Confident51 Ų5142.7 Ų42.742%0.42126%0.257SS..EExtended strand (participates in β ladder)trans-98.5131168.700000110.4A130 L131A112-A130 WeakPolarHBondContact O-CA 3.33Å; A112-L131 PolarHBondContact N-O 2.79Å; A112-L131 PolarHBondContact O-N 2.96Å
113Q88.5Confident87.6Confident69 Ų6944 Ų4432%0.32227%0.265SS..EExtended strand (participates in β ladder)trans-80.2120.9172179.9175.5-19.100109.7L106 L115 S116 S127L106-Q113 HydrophobicContact CD1-CB 3.82Å; L106-Q113 HydrophobicContact CD1-CG 4.35Å; Q113-L115 WeakPolarHBondContact CG-O 3.47Å; Q113-L115 PolarHBondContact NE2-O 3.15Å; Q113-S116 VanDerWaalsContact NE2-CB 3.27Å; Q113-S116 PolarHBondContact NE2-OG 3.28Å; Q113-S127 VanDerWaalsContact CD-CB 3.49Å
114L88Confident87.4Confident12 Ų1248.8 Ų48.86%0.06329%0.286CS..EExtended strand (participates in β ladder)trans-94.5-45.3177.6-67.6179.3000112G71 A72 C129 L131 L146 L174G71-L114 PolarHBondContact N-O 2.96Å; A72-L114 HydrophobicContact CB-CD2 3.79Å; L114-C129 HydrophobicContact CB-CB 4.25Å; L114-C129 PolarHBondContact N-O 2.84Å; L114-L131 HydrophobicContact CD1-CB 3.78Å; L114-L131 HydrophobicContact CG-CB 4.05Å; L114-L146 HydrophobicContact CD1-CD1 3.4Å; L114-L174 HydrophobicContact CD1-CD2 4.05Å
115L91Very high87.3Confident1 Ų154.1 Ų54.11%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-123.3148.8-179.5-57.4176.1000111.5G69 L75 F96 Q113 S127 L128 C129 L167G69-L115 CarbonylContact O-C 3.49Å; G69-L115 VanDerWaalsContact O-CA 3.28Å; G69-L115 WeakPolarHBondContact O-CA 3.2Å; L75-L115 HydrophobicContact CD2-CD2 3.62Å; F96-L115 HydrophobicContact CE1-CD1 4.31Å; F96-L115 HydrophobicContact CE1-CD2 3.78Å; F96-L115 HydrophobicContact CE1-CG 4.47Å; F96-L115 HydrophobicContact CE2-CD1 4.13Å; F96-L115 HydrophobicContact CZ-CB 4.07Å; F96-L115 HydrophobicContact CZ-CD1 3.9Å; F96-L115 HydrophobicContact CZ-CD2 4.04Å; F96-L115 HydrophobicContact CZ-CG 4.23Å; Q113-L115 WeakPolarHBondContact CG-O 3.47Å; Q113-L115 PolarHBondContact NE2-O 3.15Å; L115-S127 WeakPolarHBondContact O-CA 3.46Å; L115-L128 HydrophobicContact CB-CB 4.11Å; L115-L128 PolarHBondContact O-N 3.26Å; L115-C129 HydrophobicContact CB-CB 3.65Å; L115-C129 HydrophobicContact CD1-CB 3.78Å; L115-C129 HydrophobicContact CG-CB 3.72Å; L115-C129 PolarHBondContact N-O 3.24Å; L115-L167 HydrophobicContact CD1-CD1 4.04Å; L115-L167 HydrophobicContact CD1-CD2 3.91Å; L115-L167 HydrophobicContact CD2-CD1 4.35Å
116S91.6Very high87.3Confident12 Ų1254.6 Ų54.68%0.08431%0.312CS..EExtended strand (participates in β ladder)trans-129.1153.1-179.6-169.40000110V66 G69 Q113 G118 Q126V66-S116 VanDerWaalsContact CG1-O 3.28Å; V66-S116 WeakPolarHBondContact CG1-O 3.41Å; G69-S116 WeakPolarHBondContact CA-O 3.44Å; G69-S116 PolarHBondContact O-N 3.11Å; Q113-S116 VanDerWaalsContact NE2-CB 3.27Å; Q113-S116 PolarHBondContact NE2-OG 3.28Å; S116-G118 PolarHBondContact O-N 3.26Å; S116-G118 PolarHBondContact OG-N 3.29Å; S116-Q126 CarbonylContact C-O 3.54Å; S116-Q126 VanDerWaalsContact CA-O 3.23Å; S116-Q126 WeakPolarHBondContact CA-O 3.45Å; S116-Q126 PolarHBondContact OG-O 2.69Å
117S89.6Confident87.4Confident0 Ų053 Ų530%030%0.304CS..  trans-69.2-15.1172.660.60000113.4C121 P123 N125 Q126S117-C121 WeakPolarHBondContact O-CB 3.09Å; S117-P123 WeakPolarHBondContact CB-O 3.46Å; S117-P123 PolarHBondContact OG-O 2.88Å; S117-N125 PolarHBondContact OG-N 2.93Å; S117-Q126 PolarHBondContact N-O 3.31Å; S117-Q126 PolarHBondContact OG-N 2.57Å
118G88.4Confident87.5Confident0 Ų048.9 Ų48.90%028%0.279CS..THydrogen-bonded Turntrans64.7-156.1177.800000113D68 S116 N125D68-G118 WeakPolarHBondContact OD1-CA 3.49Å; S116-G118 PolarHBondContact O-N 3.26Å; S116-G118 PolarHBondContact OG-N 3.29Å; G118-N125 PolarHBondContact O-N 3.26Å; G118-N125 VanDerWaalsContact O-N 3.11Å; G118-N125 PolarHBondContact O-OD1 3.05Å
119S87.4Confident88.2Confident54 Ų5439 Ų3938%0.37824%0.236SC..THydrogen-bonded Turntrans-93.3-16.1-177.262.20000114.3D68 F124D68-S119 PolarHBondContact OD1-N 2.8Å; D68-S119 VanDerWaalsContact OD2-CB 3.22Å; D68-S119 WeakPolarHBondContact OD2-CB 3.44Å; D68-S119 PolarHBondContact OD2-N 2.93Å; D68-S119 PolarHBondContact OD2-OG 3.06Å; S119-F124 WeakPolarHBondContact O-CE1 3.43Å
120M85.8Confident88.9Confident64 Ų6435.1 Ų35.132%0.31520%0.196SC..THydrogen-bonded Turntrans-89.2-20.5-177-64.6-60.3108.200113.6T53T53-M120 PolarHBondContact N-O 3.21Å; T53-M120 PolarHBondContact OG1-O 3.28Å
121C89.9Confident89.5Confident0 Ų034.3 Ų34.30%019%0.185CC..EExtended strand (participates in β ladder)trans-110.3145.4-176.4-51.80000111.6V50 I51 S117 P123 F124V50-C121 HydrophobicContact CG1-CB 3.65Å; I51-C121 CarbonylContact O-C 3.06Å; I51-C121 WeakPolarHBondContact O-CA 3.43Å; S117-C121 WeakPolarHBondContact O-CB 3.09Å; C121-P123 CarbonylContact O-C 3.36Å; C121-F124 WeakPolarHBondContact O-CA 3.31Å; C121-F124 WeakPolarHBondContact O-CD1 3.5Å
122H91Very high89.8Confident86 Ų8634.9 Ų34.940%0.39819%0.186SC..EExtended strand (participates in β ladder)trans-108.4132.9173.1-179.1-74.7000109.2V50 I51 T53 F124V50-H122 WeakPolarHBondContact CA-O 3.37Å; I51-H122 HydrophobicContact CG1-CB 4.12Å; I51-H122 WeakPolarHBondContact CG1-O 3.43Å; I51-H122 PolarHBondContact N-O 3.34Å; I51-H122 PolarHBondContact O-N 3.11Å; T53-H122 HydrophobicContact CG2-CB 3.68Å; H122-F124 AromaticContact CD2-CE2 3.87Å
123P92.1Very high89.8Confident27 Ų2736.7 Ų36.718%0.17519%0.185CC..SBendcis-72.41412.5-1731.8000113.3T103 S117 C121 Q126T103-P123 HydrophobicContact CG2-CG 4.1Å; S117-P123 WeakPolarHBondContact CB-O 3.46Å; S117-P123 PolarHBondContact OG-O 2.88Å; C121-P123 CarbonylContact O-C 3.36Å; P123-Q126 HydrophobicContact CB-CG 3.78Å
124F90Very high89.4Confident102 Ų10234.2 Ų34.245%0.44718%0.175SC..THydrogen-bonded Turntrans-71.5144.9-172.2-56.6-68.8000113.1T53 S119 C121 H122 Q126T53-F124 HydrophobicContact CG2-CE1 3.74Å; T53-F124 HydrophobicContact CG2-CZ 3.82Å; S119-F124 WeakPolarHBondContact O-CE1 3.43Å; C121-F124 WeakPolarHBondContact O-CA 3.31Å; C121-F124 WeakPolarHBondContact O-CD1 3.5Å; H122-F124 AromaticContact CD2-CE2 3.87Å; F124-Q126 PolarHBondContact O-N 2.95Å
125N89.3Confident88.5Confident113 Ų11342.8 Ų42.860%0.60421%0.212SC*.THydrogen-bonded Turntrans48.933.3173.4-64.4-36000114.8S117 G118S117-N125 PolarHBondContact OG-N 2.93Å; G118-N125 PolarHBondContact O-N 3.26Å; G118-N125 VanDerWaalsContact O-N 3.11Å; G118-N125 PolarHBondContact O-OD1 3.05Å
126Q92.1Very high86.9Confident74 Ų7447.9 Ų47.935%0.34624%0.243SC..  trans-92.4149175-65.8-57.5-2500110.6T103 S116 S117 P123 F124T103-Q126 HydrophobicContact CG2-CB 3.66Å; T103-Q126 HydrophobicContact CG2-CG 4.05Å; S116-Q126 CarbonylContact C-O 3.54Å; S116-Q126 VanDerWaalsContact CA-O 3.23Å; S116-Q126 WeakPolarHBondContact CA-O 3.45Å; S116-Q126 PolarHBondContact OG-O 2.69Å; S117-Q126 PolarHBondContact N-O 3.31Å; S117-Q126 PolarHBondContact OG-N 2.57Å; P123-Q126 HydrophobicContact CB-CG 3.78Å; F124-Q126 PolarHBondContact O-N 2.95Å
127S92.4Very high84.8Confident6 Ų650.3 Ų50.34%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-69.7134.9176.863.90000111.7L104 L106 Q113 L115L104-S127 VanDerWaalsContact C-OG 3.25Å; L104-S127 WeakPolarHBondContact CB-OG 3.29Å; L104-S127 PolarHBondContact N-O 3.38Å; L104-S127 PolarHBondContact O-OG 3.01Å; L106-S127 WeakPolarHBondContact CG-OG 3.02Å; Q113-S127 VanDerWaalsContact CD-CB 3.49Å; L115-S127 WeakPolarHBondContact O-CA 3.46Å
128L92Very high82.6Confident0 Ų055.3 Ų55.30%031%0.305CS..EExtended strand (participates in β ladder)trans-109.2-28.7177.1-58.2-174.8000112.2V50 V66 F96 Y98 L104 L115 G149V50-L128 HydrophobicContact CG2-CD2 3.72Å; V66-L128 HydrophobicContact CG2-CD1 4.03Å; F96-L128 HydrophobicContact CE2-CD1 4.12Å; F96-L128 HydrophobicContact CZ-CD1 4.16Å; Y98-L128 HydrophobicContact CD1-CD1 4.06Å; Y98-L128 HydrophobicContact CD1-CD2 4.33Å; Y98-L128 HydrophobicContact CD2-CD1 4.23Å; Y98-L128 HydrophobicContact CE1-CD1 4.17Å; Y98-L128 HydrophobicContact CE1-CD2 3.74Å; Y98-L128 HydrophobicContact CE1-CG 4.37Å; Y98-L128 HydrophobicContact CE2-CB 4.17Å; Y98-L128 HydrophobicContact CE2-CD1 4.39Å; Y98-L128 HydrophobicContact CG-CD1 4.06Å; L104-L128 WeakPolarHBondContact CD1-O 3.25Å; L115-L128 HydrophobicContact CB-CB 4.11Å; L115-L128 PolarHBondContact O-N 3.26Å; L128-G149 PolarHBondContact O-N 3.29Å; L128-G149 VanDerWaalsContact O-N 3.15Å
129C91.6Very high80.9Confident1 Ų164.4 Ų64.41%0.00735%0.347CS..EExtended strand (participates in β ladder)trans-138.1132.5-179.9178.50000109.9L114 L115 L146 V147 I148L114-C129 HydrophobicContact CB-CB 4.25Å; L114-C129 PolarHBondContact N-O 2.84Å; L115-C129 HydrophobicContact CB-CB 3.65Å; L115-C129 HydrophobicContact CD1-CB 3.78Å; L115-C129 HydrophobicContact CG-CB 3.72Å; L115-C129 PolarHBondContact N-O 3.24Å; C129-L146 WeakPolarHBondContact SG-CD1 3.22Å; C129-V147 VanDerWaalsContact CA-O 3.28Å; C129-V147 WeakPolarHBondContact CA-O 3.4Å; C129-I148 HydrophobicContact CB-CG1 3.98Å; C129-I148 VanDerWaalsContact SG-CG1 3.55Å
130A91.6Very high79.1Confident0 Ų066.9 Ų66.90%037%0.365CS..EExtended strand (participates in β ladder)trans-131.2139.1-179.500000111.4I43 L104 L106 A112 L146 V147I43-A130 HydrophobicContact CD1-CB 3.94Å; I43-A130 HydrophobicContact CG1-CB 4.23Å; L104-A130 HydrophobicContact CD1-CB 4.18Å; L106-A130 HydrophobicContact CD1-CB 3.82Å; L106-A130 HydrophobicContact CD2-CB 3.3Å; L106-A130 HydrophobicContact CG-CB 4.19Å; A112-A130 WeakPolarHBondContact O-CA 3.33Å; A130-L146 WeakPolarHBondContact O-CA 3.45Å; A130-V147 PolarHBondContact N-O 3.11Å; A130-V147 PolarHBondContact O-N 3.29Å
131L90.2Very high77.9Confident27 Ų2767 Ų6714%0.14137%0.372CS..EExtended strand (participates in β ladder)trans-113.9124175.8-179.375.5000109.3A112 L114 K144 L146 L174A112-L131 PolarHBondContact N-O 2.79Å; A112-L131 PolarHBondContact O-N 2.96Å; L114-L131 HydrophobicContact CD1-CB 3.78Å; L114-L131 HydrophobicContact CG-CB 4.05Å; L131-K144 HydrophobicContact CD1-CB 4.32Å; L131-L146 HydrophobicContact CB-CD1 4.15Å; L131-L146 HydrophobicContact CD1-CB 4.2Å; L131-L146 HydrophobicContact CD1-CD1 4.04Å; L131-L174 HydrophobicContact CD1-CD2 4.24Å; L131-L174 HydrophobicContact CD2-CD2 4.04Å
132F88.9Confident77Confident34 Ų3467.6 Ų67.615%0.14938%0.378CS..EExtended strand (participates in β ladder)trans-102.3135.2164.7178.9-96.1000109Y41 A110 K144 V145Y41-F132 AromaticContact CD1-CD1 3.5Å; Y41-F132 HydrophobicContact CD1-CD1 3.5Å; Y41-F132 VanDerWaalsContact CD1-CD1 3.5Å; Y41-F132 HydrophobicContact CD1-CD2 4.49Å; Y41-F132 AromaticContact CD1-CE1 3.54Å; Y41-F132 HydrophobicContact CD1-CE1 3.54Å; Y41-F132 HydrophobicContact CD1-CG 4Å; Y41-F132 HydrophobicContact CD1-CZ 4.06Å; Y41-F132 HydrophobicContact CE1-CD1 4.22Å; Y41-F132 HydrophobicContact CE1-CE1 4.1Å; Y41-F132 HydrophobicContact CG-CD1 4.28Å; Y41-F132 HydrophobicContact CG-CG 4.39Å; Y41-F132 WeakPolarHBondContact O-CD2 3.36Å; A110-F132 WeakPolarHBondContact O-CD2 3.35Å; F132-K144 WeakPolarHBondContact O-CA 3.27Å; F132-V145 HydrophobicContact CB-CB 4.23Å; F132-V145 HydrophobicContact CD1-CG2 4.41Å; F132-V145 PolarHBondContact N-O 3.48Å; F132-V145 PolarHBondContact O-N 3.01Å
133H84.9Confident76.6Confident88 Ų8863.5 Ų63.541%0.40736%0.36SS..EExtended strand (participates in β ladder)trans-119.7118171.5-179.260.7000108.7K135 G142H133-K135 PolarHBondContact O-N 2.97Å; H133-G142 PolarHBondContact CE1-O 2.9Å; H133-G142 VanDerWaalsContact CE1-O 3.28Å; H133-G142 PolarHBondContact ND1-O 3.28Å
134S80Confident76.4Confident17 Ų1764.3 Ų64.312%0.11936%0.36CS..  trans-68.4126.2175.5-174.70000109.8V136 G143S134-V136 PolarHBondContact O-N 3.2Å; S134-V136 WeakPolarHBondContact OG-CG2 3.26Å; S134-G143 VanDerWaalsContact CB-O 3.32Å; S134-G143 WeakPolarHBondContact CB-O 3.38Å; S134-G143 PolarHBondContact N-O 3.47Å
135K68Low76.4Confident192 Ų19259.4 Ų59.484%0.83534%0.339SS*.  trans-87.115.7176.5-66.1-177.8178.8176.50113.1H133 G137H133-K135 PolarHBondContact O-N 2.97Å; K135-G137 PolarHBondContact O-N 3.31Å
136V57.6Low76.5Confident109 Ų10954 Ų5466%0.66131%0.31SS*.  trans-78.8108.5-176.9-179.10000109.4S134S134-V136 PolarHBondContact O-N 3.2Å; S134-V136 WeakPolarHBondContact OG-CG2 3.26Å
137G47.6Very low76.6Confident63 Ų6350.5 Ų50.565%0.64929%0.294SS*.SBendtrans103.9136.9169.400000115.2K135 E139K135-G137 PolarHBondContact O-N 3.31Å; G137-E139 PolarHBondContact O-N 2.72Å
138S43.9Very low76.6Confident105 Ų10550.2 Ų50.273%0.73429%0.292SS*.SBendtrans-57.2120.4177.2-172.80000112.2S140S138-S140 PolarHBondContact O-N 2.62Å; S138-S140 VanDerWaalsContact O-N 3.15Å
139E52.2Low76.5Confident190 Ų19050.2 Ų50.289%0.88829%0.292SS*.SBendtrans68.7-4.8150.6-64.9-174.4163.600122.8G137G137-E139 PolarHBondContact O-N 2.72Å
140S49.4Very low76.5Confident107 Ų10750.2 Ų50.275%0.74829%0.291SS*.SBendtrans-142.993.4173.361.10000114.2S138S138-S140 PolarHBondContact O-N 2.62Å; S138-S140 VanDerWaalsContact O-N 3.15Å
141S60.5Low76.3Confident65 Ų6554.4 Ų54.446%0.45531%0.314SS..  trans60.371.9164.6-174.10000116.4
142G71.7Confident76.4Confident13 Ų1356 Ų5613%0.13432%0.322CS..  trans-58.7146.6162.100000112H133 K144H133-G142 PolarHBondContact CE1-O 2.9Å; H133-G142 VanDerWaalsContact CE1-O 3.28Å; H133-G142 PolarHBondContact ND1-O 3.28Å; G142-K144 PolarHBondContact O-N 3.47Å
143G83.1Confident76.5Confident1 Ų154.4 Ų54.41%0.0132%0.315CS..  trans-56.4135.1-17800000112.6H15 S134H15-G143 VanDerWaalsContact O-CA 3.29Å; H15-G143 WeakPolarHBondContact O-CA 3.46Å; S134-G143 VanDerWaalsContact CB-O 3.32Å; S134-G143 WeakPolarHBondContact CB-O 3.38Å; S134-G143 PolarHBondContact N-O 3.47Å
144K88.1Confident76.9Confident43 Ų4351.6 Ų51.619%0.18730%0.302CS..EExtended strand (participates in β ladder)trans-107131.2179.6-61.2168.7-176.8167.90109.9N16 L17 L131 F132 G142 L174 L175N16-K144 CarbonylContact C-O 3.45Å; N16-K144 VanDerWaalsContact CA-O 3.27Å; N16-K144 WeakPolarHBondContact CA-O 3.46Å; N16-K144 HydrophobicContact CB-CB 4.45Å; N16-K144 WeakPolarHBondContact OD1-CB 3.4Å; N16-K144 PolarHBondContact OD1-N 3.05Å; L17-K144 PolarHBondContact N-O 3.06Å; L131-K144 HydrophobicContact CD1-CB 4.32Å; F132-K144 WeakPolarHBondContact O-CA 3.27Å; G142-K144 PolarHBondContact O-N 3.47Å; K144-L174 PolarHBondContact NZ-O 3.44Å; K144-L175 HydrophobicContact CB-CD2 4.21Å
145V90Very high77.4Confident0 Ų052.7 Ų52.70%031%0.309CS..EExtended strand (participates in β ladder)trans-114116.7172.6-174.40000108.3V11 L17 Y41 F132 V147V11-V145 HydrophobicContact CB-CG2 4.48Å; V11-V145 HydrophobicContact CG1-CG2 3.78Å; V11-V145 HydrophobicContact CG2-CG2 3.78Å; L17-V145 HydrophobicContact CB-CG1 4.4Å; L17-V145 HydrophobicContact CB-CG2 4.3Å; L17-V145 HydrophobicContact CD2-CG1 4.29Å; L17-V145 WeakPolarHBondContact O-CA 3.45Å; Y41-V145 HydrophobicContact CD1-CG2 4.27Å; Y41-V145 HydrophobicContact CE1-CG2 4.03Å; Y41-V145 HydrophobicContact CE2-CG2 4.48Å; F132-V145 HydrophobicContact CB-CB 4.23Å; F132-V145 HydrophobicContact CD1-CG2 4.41Å; F132-V145 PolarHBondContact N-O 3.48Å; F132-V145 PolarHBondContact O-N 3.01Å; V145-V147 HydrophobicContact CG1-CG2 4.13Å
146L91.6Very high78.5Confident0 Ų050.5 Ų50.50%031%0.306CS..EExtended strand (participates in β ladder)trans-111.2124.4177.2-178.773.7000109.1L17 F18 V19 L114 C129 A130 L131 I171 L175L17-L146 PolarHBondContact O-N 2.97Å; F18-L146 HydrophobicContact CD2-CB 4Å; F18-L146 HydrophobicContact CD2-CD2 3.65Å; F18-L146 HydrophobicContact CD2-CG 3.93Å; F18-L146 HydrophobicContact CE2-CD2 3.51Å; F18-L146 HydrophobicContact CE2-CG 3.99Å; V19-L146 PolarHBondContact N-O 3.42Å; L114-L146 HydrophobicContact CD1-CD1 3.4Å; C129-L146 WeakPolarHBondContact SG-CD1 3.22Å; A130-L146 WeakPolarHBondContact O-CA 3.45Å; L131-L146 HydrophobicContact CB-CD1 4.15Å; L131-L146 HydrophobicContact CD1-CB 4.2Å; L131-L146 HydrophobicContact CD1-CD1 4.04Å; L146-I171 HydrophobicContact CD2-CB 4.17Å; L146-I171 HydrophobicContact CD2-CD1 4.37Å; L146-I171 HydrophobicContact CD2-CG1 3.97Å; L146-I171 HydrophobicContact CD2-CG2 3.26Å; L146-L175 HydrophobicContact CB-CD1 4.42Å; L146-L175 HydrophobicContact CB-CD2 3.95Å; L146-L175 HydrophobicContact CD2-CD1 3.98Å; L146-L175 HydrophobicContact CD2-CG 4.3Å
147V92.4Very high80.1Confident0 Ų048.1 Ų48.10%030%0.299CS..EExtended strand (participates in β ladder)trans-119.2127.4-178.9-174.50000109.6V19 I21 L38 I43 L104 C129 A130 V145V19-V147 HydrophobicContact CB-CG1 4.47Å; V19-V147 HydrophobicContact CB-CG2 4.23Å; V19-V147 WeakPolarHBondContact O-CA 3.32Å; I21-V147 HydrophobicContact CD1-CG1 3.76Å; I21-V147 HydrophobicContact CG1-CG1 4.44Å; L38-V147 HydrophobicContact CD1-CG1 4.23Å; L38-V147 HydrophobicContact CD1-CG2 4.36Å; L38-V147 HydrophobicContact CD2-CG2 3.84Å; I43-V147 HydrophobicContact CD1-CB 4.23Å; I43-V147 HydrophobicContact CD1-CG2 3.66Å; I43-V147 HydrophobicContact CG2-CB 4.36Å; I43-V147 HydrophobicContact CG2-CG1 4.41Å; I43-V147 HydrophobicContact CG2-CG2 4.39Å; L104-V147 HydrophobicContact CD1-CG1 4.3Å; L104-V147 HydrophobicContact CD2-CG1 4.39Å; C129-V147 VanDerWaalsContact CA-O 3.28Å; C129-V147 WeakPolarHBondContact CA-O 3.4Å; A130-V147 PolarHBondContact N-O 3.11Å; A130-V147 PolarHBondContact O-N 3.29Å; V145-V147 HydrophobicContact CG1-CG2 4.13Å
148I93.4Very high82.2Confident0 Ų045.8 Ų45.80%027%0.27CS..EExtended strand (participates in β ladder)trans-121.7129.8173.2-59.4-179000109F18 V19 L20 I21 Y98 C129 S150 I153 F154 I171F18-I148 HydrophobicContact CE2-CD1 3.68Å; F18-I148 HydrophobicContact CE2-CG1 4.05Å; F18-I148 HydrophobicContact CZ-CD1 3.9Å; V19-I148 PolarHBondContact O-N 2.86Å; L20-I148 HydrophobicContact CD2-CB 3.86Å; L20-I148 HydrophobicContact CD2-CD1 4.38Å; L20-I148 HydrophobicContact CD2-CG1 4.45Å; I21-I148 PolarHBondContact N-O 3.09Å; Y98-I148 HydrophobicContact CE2-CG2 4.02Å; C129-I148 HydrophobicContact CB-CG1 3.98Å; C129-I148 VanDerWaalsContact SG-CG1 3.55Å; I148-S150 PolarHBondContact O-N 3.32Å; I148-I153 HydrophobicContact CG2-CG2 4.5Å; I148-F154 HydrophobicContact CD1-CE2 3.95Å; I148-F154 HydrophobicContact CD1-CZ 4.03Å; I148-I171 HydrophobicContact CD1-CD1 3.6Å
149G90.9Very high84.5Confident0 Ų042.4 Ų42.40%024%0.244CC..SBendtrans-75.118.5-179.700000115.2I21 Y98 G101 C102 L128I21-G149 CarbonylContact O-C 3.58Å; I21-G149 VanDerWaalsContact O-O 3.11Å; Y98-G149 WeakPolarHBondContact OH-CA 3.4Å; Y98-G149 PolarHBondContact OH-N 2.76Å; Y98-G149 PolarHBondContact OH-O 3.3Å; Y98-G149 VanDerWaalsContact OH-O 3.13Å; G101-G149 CarbonylContact C-O 3.51Å; G101-G149 WeakPolarHBondContact CA-O 3.47Å; C102-G149 PolarHBondContact N-O 2.83Å; C102-G149 VanDerWaalsContact SG-CA 3.55Å; C102-G149 PolarHBondContact SG-O 3.49Å; C102-G149 VanDerWaalsContact SG-O 3.37Å; L128-G149 PolarHBondContact O-N 3.29Å; L128-G149 VanDerWaalsContact O-N 3.15Å
150S90.9Very high86.3Confident0 Ų039.9 Ų39.90%024%0.237CC..  trans-136.8128.9174177.70000110.8I21 Y98 P99 I148 I152 I153I21-S150 CarbonylContact O-C 3.42Å; I21-S150 WeakPolarHBondContact O-CA 3.44Å; I21-S150 PolarHBondContact O-N 2.78Å; Y98-S150 VanDerWaalsContact CE2-CB 3.47Å; P99-S150 PolarHBondContact O-OG 2.96Å; I148-S150 PolarHBondContact O-N 3.32Å; S150-I152 PolarHBondContact OG-N 3.43Å; S150-I153 WeakPolarHBondContact O-CG2 3.41Å; S150-I153 PolarHBondContact OG-N 3.18Å
151N88Confident88.3Confident88 Ų8838 Ų3847%0.47122%0.215SC..SBendtrans-86.2-25.8173.3-171.721.1000112.6I21 A22I21-N151 PolarHBondContact O-N 2.87Å; A22-N151 HydrophobicContact CB-CB 3.95Å
152I91.2Very high89.7Confident61 Ų6137.7 Ų37.731%0.31321%0.206SC..SBendtrans-92-12.2-169.3-58.7166.8000111.3P99 Y100 S150 F154 S155 F158P99-I152 HydrophobicContact CB-CG2 4.38Å; P99-I152 HydrophobicContact CG-CB 4.03Å; P99-I152 HydrophobicContact CG-CG2 4.03Å; Y100-I152 HydrophobicContact CD2-CD1 4.01Å; Y100-I152 HydrophobicContact CG-CD1 4.34Å; S150-I152 PolarHBondContact OG-N 3.43Å; I152-F154 PolarHBondContact O-N 2.67Å; I152-F154 VanDerWaalsContact O-N 3.16Å; I152-S155 WeakPolarHBondContact CG2-OG 3.4Å; I152-S155 WeakPolarHBondContact O-CB 3.35Å; I152-S155 PolarHBondContact O-N 2.91Å; I152-S155 PolarHBondContact O-OG 3.37Å; I152-F158 HydrophobicContact CG2-CD2 3.61Å; I152-F158 HydrophobicContact CG2-CE2 3.54Å
153I92.1Very high90.6Very high0 Ų039 Ų390%021%0.21CC..THydrogen-bonded Turntrans-53.6-36.3-178.2-171.7173.5000114.1F96 V97 Y98 I148 S150 N164 L167F96-I153 HydrophobicContact CD2-CD1 4.33Å; V97-I153 WeakPolarHBondContact O-CG1 3.46Å; Y98-I153 HydrophobicContact CD2-CD1 4.1Å; I148-I153 HydrophobicContact CG2-CG2 4.5Å; S150-I153 WeakPolarHBondContact O-CG2 3.41Å; S150-I153 PolarHBondContact OG-N 3.18Å; I153-N164 PolarHBondContact O-ND2 2.93Å; I153-N164 VanDerWaalsContact O-ND2 3.17Å; I153-L167 HydrophobicContact CD1-CD2 3.87Å
154F91.9Very high91Very high30 Ų3038.9 Ų38.913%0.13221%0.21CC..THydrogen-bonded Turntrans-103.113.4179.7-54.4-61.2000114F18 L20 I148 I152 L159 L168 I171F18-F154 HydrophobicContact CE1-CD2 4.44Å; F18-F154 HydrophobicContact CE1-CE2 4.2Å; F18-F154 HydrophobicContact CZ-CD2 4.29Å; F18-F154 AromaticContact CZ-CE2 3.63Å; F18-F154 HydrophobicContact CZ-CE2 3.63Å; F18-F154 HydrophobicContact CZ-CZ 4.36Å; L20-F154 HydrophobicContact CD1-CD2 4.06Å; L20-F154 HydrophobicContact CD2-CD2 4.18Å; L20-F154 HydrophobicContact CD2-CE2 3.96Å; I148-F154 HydrophobicContact CD1-CE2 3.95Å; I148-F154 HydrophobicContact CD1-CZ 4.03Å; I152-F154 PolarHBondContact O-N 2.67Å; I152-F154 VanDerWaalsContact O-N 3.16Å; F154-L159 HydrophobicContact CD1-CD1 4.28Å; F154-L168 HydrophobicContact CD1-CB 3.72Å; F154-L168 HydrophobicContact CD1-CD1 3.79Å; F154-L168 HydrophobicContact CD1-CD2 4.31Å; F154-L168 HydrophobicContact CD1-CG 4.14Å; F154-L168 HydrophobicContact CD2-CD1 4.38Å; F154-L168 HydrophobicContact CE1-CB 3.65Å; F154-L168 HydrophobicContact CE1-CD1 3.93Å; F154-L168 HydrophobicContact CE1-CG 4.34Å; F154-L168 HydrophobicContact CG-CD1 4.03Å; F154-L168 HydrophobicContact CZ-CD1 4.31Å; F154-I171 HydrophobicContact CZ-CD1 3.75Å
155S91Very high91.2Very high40 Ų4040.7 Ų40.728%0.2822%0.221SC..SBendtrans-71.7154.117164.60000110.8I152 A157 F158 L159I152-S155 WeakPolarHBondContact CG2-OG 3.4Å; I152-S155 WeakPolarHBondContact O-CB 3.35Å; I152-S155 PolarHBondContact O-N 2.91Å; I152-S155 PolarHBondContact O-OG 3.37Å; S155-A157 PolarHBondContact O-N 3.34Å; S155-F158 CarbonylContact O-C 3.59Å; S155-F158 PolarHBondContact O-N 2.79Å; S155-F158 WeakPolarHBondContact OG-CD2 3.5Å; S155-L159 WeakPolarHBondContact O-CB 3.18Å; S155-L159 PolarHBondContact O-N 3.37Å
156D91.4Very high91.1Very high145 Ų14542.9 Ų42.978%0.77523%0.233SC*.Hα-helixtrans-52.6-30.1179.7-63.7-3000113.2F158D156-F158 PolarHBondContact O-N 3.16Å
157A91Very high91Very high60 Ų6043 Ų4350%0.49623%0.234SC..Hα-helixtrans-68.3-19.1177.500000114.2S155 K161S155-A157 PolarHBondContact O-N 3.34Å; A157-K161 WeakPolarHBondContact O-CD 3.34Å; A157-K161 WeakPolarHBondContact O-CE 3.45Å; A157-K161 PolarHBondContact O-NZ 3.3Å
158F92.2Very high90.9Very high13 Ų1345.1 Ų45.16%0.05724%0.244CC..Hα-helixtrans-129.3-12.4-176.4-61.8-83.6000114.8E63 V97 P99 I152 S155 D156 D160 K161 N164E63-F158 HydrophobicContact CB-CE1 4.48Å; E63-F158 HydrophobicContact CG-CE1 3.83Å; E63-F158 HydrophobicContact CG-CZ 3.9Å; V97-F158 HydrophobicContact CB-CD1 4.44Å; V97-F158 HydrophobicContact CG1-CD1 3.86Å; V97-F158 HydrophobicContact CG1-CE1 4.2Å; P99-F158 HydrophobicContact CB-CD1 4.18Å; P99-F158 HydrophobicContact CB-CD2 4.23Å; P99-F158 HydrophobicContact CB-CE1 3.9Å; P99-F158 HydrophobicContact CB-CE2 3.94Å; P99-F158 HydrophobicContact CB-CG 4.35Å; P99-F158 HydrophobicContact CB-CZ 3.77Å; P99-F158 HydrophobicContact CG-CB 4.45Å; P99-F158 HydrophobicContact CG-CD1 4.09Å; P99-F158 HydrophobicContact CG-CD2 3.89Å; P99-F158 HydrophobicContact CG-CE1 4.31Å; P99-F158 HydrophobicContact CG-CE2 4.11Å; P99-F158 HydrophobicContact CG-CG 3.88Å; P99-F158 HydrophobicContact CG-CZ 4.32Å; I152-F158 HydrophobicContact CG2-CD2 3.61Å; I152-F158 HydrophobicContact CG2-CE2 3.54Å; S155-F158 CarbonylContact O-C 3.59Å; S155-F158 PolarHBondContact O-N 2.79Å; S155-F158 WeakPolarHBondContact OG-CD2 3.5Å; D156-F158 PolarHBondContact O-N 3.16Å; F158-D160 VanDerWaalsContact C-N 3.34Å; F158-D160 PolarHBondContact O-N 2.98Å; F158-K161 HydrophobicContact CD1-CD 3.76Å; F158-K161 HydrophobicContact CE1-CD 4.38Å; F158-K161 HydrophobicContact CG-CD 4.46Å; F158-K161 WeakPolarHBondContact O-CB 3.46Å; F158-K161 PolarHBondContact O-N 3.36Å; F158-K161 VanDerWaalsContact O-N 3.15Å; F158-N164 VanDerWaalsContact O-CB 3.3Å; F158-N164 WeakPolarHBondContact O-CB 3.17Å; F158-N164 PolarHBondContact O-ND2 3.09Å
159L91.3Very high90.7Very high34 Ų3448 Ų4818%0.17826%0.262CS..Hα-helixtrans-60.8-42.9-177.5-174.163.6000112.3F154 S155 K161 N164 N165 L168F154-L159 HydrophobicContact CD1-CD1 4.28Å; S155-L159 WeakPolarHBondContact O-CB 3.18Å; S155-L159 PolarHBondContact O-N 3.37Å; L159-K161 VanDerWaalsContact C-N 3.27Å; L159-K161 PolarHBondContact O-N 2.86Å; L159-N164 WeakPolarHBondContact O-CB 3.43Å; L159-N165 HydrophobicContact CD1-CB 4.46Å; L159-N165 PolarHBondContact O-N 2.68Å; L159-L168 HydrophobicContact CD1-CB 4.38Å; L159-L168 HydrophobicContact CD1-CD2 3.75Å
160D91.1Very high90.5Very high137 Ų13748 Ų4873%0.73326%0.262SS*.THydrogen-bonded Turntrans-830.7-179.9-63.9-35.3000113.9F158F158-D160 VanDerWaalsContact C-N 3.34Å; F158-D160 PolarHBondContact O-N 2.98Å
161K91.2Very high90.4Very high67 Ų6748.1 Ų48.129%0.29126%0.262SS..SBendtrans-90126.2-177.9-70179.2175.4158.70110.9Y58 V97 A157 F158 L159 D163 N164Y58-K161 HydrophobicContact CE1-CD 3.59Å; Y58-K161 HydrophobicContact CE1-CG 4.43Å; V97-K161 HydrophobicContact CG2-CB 3.95Å; A157-K161 WeakPolarHBondContact O-CD 3.34Å; A157-K161 WeakPolarHBondContact O-CE 3.45Å; A157-K161 PolarHBondContact O-NZ 3.3Å; F158-K161 HydrophobicContact CD1-CD 3.76Å; F158-K161 HydrophobicContact CE1-CD 4.38Å; F158-K161 HydrophobicContact CG-CD 4.46Å; F158-K161 WeakPolarHBondContact O-CB 3.46Å; F158-K161 PolarHBondContact O-N 3.36Å; F158-K161 VanDerWaalsContact O-N 3.15Å; L159-K161 VanDerWaalsContact C-N 3.27Å; L159-K161 PolarHBondContact O-N 2.86Å; K161-D163 PolarHBondContact O-N 3.38Å; K161-N164 WeakPolarHBondContact O-CB 3.39Å; K161-N164 PolarHBondContact O-N 2.89Å; K161-N164 PolarHBondContact O-OD1 2.87Å
162E89.6Confident90.3Very high59 Ų5946.8 Ų46.828%0.27626%0.26SS..BIsolated β-bridgetrans54.4-129.5-178-48.8-70.9158.500111K57 L65 K95 V97K57-E162 WeakPolarHBondContact CD-OE1 3.28Å; K57-E162 IonicContact NZ-OE1 3.73Å; K57-E162 PolarHBondContact NZ-OE1 3.16Å; K57-E162 IonicContact NZ-OE2 3.95Å; K57-E162 PolarHBondContact NZ-OE2 3.17Å; L65-E162 HydrophobicContact CD1-CG 3.73Å; K95-E162 WeakPolarHBondContact O-CB 3.28Å; V97-E162 HydrophobicContact CG2-CB 4.47Å; V97-E162 HydrophobicContact CG2-CG 3.77Å
163D90.3Very high90Very high40 Ų4048.1 Ų48.121%0.21427%0.266CS..THydrogen-bonded Turntrans-100.821.7179-59.6-51000113L94 K95 K161 N165 L166 L167L94-D163 HydrophobicContact CD2-CB 4.19Å; K95-D163 PolarHBondContact N-OD2 3.5Å; K95-D163 VanDerWaalsContact O-CB 3.26Å; K95-D163 WeakPolarHBondContact O-CB 3.48Å; K95-D163 PolarHBondContact O-N 3.13Å; K161-D163 PolarHBondContact O-N 3.38Å; D163-N165 VanDerWaalsContact C-N 3.31Å; D163-N165 PolarHBondContact O-N 2.79Å; D163-L166 HydrophobicContact CB-CB 4.25Å; D163-L166 PolarHBondContact O-N 2.88Å; D163-L166 VanDerWaalsContact O-N 3.13Å; D163-L167 WeakPolarHBondContact O-CB 3.49Å; D163-L167 PolarHBondContact O-N 3.44Å
164N92.2Very high89.6Confident0 Ų050.3 Ų50.30%028%0.277CS..Hα-helixtrans-59.7-39-177.9-8020000112.7F96 V97 I153 F158 L159 K161 L167 L168F96-N164 VanDerWaalsContact CA-OD1 3.28Å; F96-N164 WeakPolarHBondContact CA-OD1 3.38Å; F96-N164 WeakPolarHBondContact CB-OD1 3.14Å; V97-N164 PolarHBondContact N-OD1 3.09Å; V97-N164 PolarHBondContact O-ND2 3.04Å; V97-N164 VanDerWaalsContact O-ND2 3.09Å; I153-N164 PolarHBondContact O-ND2 2.93Å; I153-N164 VanDerWaalsContact O-ND2 3.17Å; F158-N164 VanDerWaalsContact O-CB 3.3Å; F158-N164 WeakPolarHBondContact O-CB 3.17Å; F158-N164 PolarHBondContact O-ND2 3.09Å; L159-N164 WeakPolarHBondContact O-CB 3.43Å; K161-N164 WeakPolarHBondContact O-CB 3.39Å; K161-N164 PolarHBondContact O-N 2.89Å; K161-N164 PolarHBondContact O-OD1 2.87Å; N164-L167 WeakPolarHBondContact O-CB 3.47Å; N164-L167 PolarHBondContact O-N 3.34Å; N164-L168 PolarHBondContact O-N 2.64Å
165N91.3Very high89Confident81 Ų8149.7 Ų49.743%0.43328%0.275SS..Hα-helixtrans-63.7-45.3174-17425.2000111.8L159 D163 L167 L168 V169L159-N165 HydrophobicContact CD1-CB 4.46Å; L159-N165 PolarHBondContact O-N 2.68Å; D163-N165 VanDerWaalsContact C-N 3.31Å; D163-N165 PolarHBondContact O-N 2.79Å; N165-L167 VanDerWaalsContact C-N 3.28Å; N165-L167 PolarHBondContact O-N 3.06Å; N165-L168 WeakPolarHBondContact O-CB 3.36Å; N165-L168 PolarHBondContact O-N 2.88Å; N165-L168 VanDerWaalsContact O-N 3.16Å; N165-V169 WeakPolarHBondContact O-CG2 3.26Å; N165-V169 PolarHBondContact O-N 3.48Å
166L89.2Confident88.3Confident46 Ų4651.5 Ų51.524%0.24129%0.285CS..Hα-helixtrans-62.3-38.1176.4-179.861.3000111.4A79 L94 D163 V169 T170A79-L166 HydrophobicContact CB-CD1 4.31Å; A79-L166 HydrophobicContact CB-CD2 4.21Å; A79-L166 HydrophobicContact CB-CG 4.19Å; L94-L166 HydrophobicContact CD2-CD2 3.64Å; L94-L166 HydrophobicContact CD2-CG 4.26Å; D163-L166 HydrophobicContact CB-CB 4.25Å; D163-L166 PolarHBondContact O-N 2.88Å; D163-L166 VanDerWaalsContact O-N 3.13Å; L166-V169 PolarHBondContact O-N 2.92Å; L166-T170 WeakPolarHBondContact O-CB 3.47Å; L166-T170 PolarHBondContact O-N 2.73Å; L166-T170 PolarHBondContact O-OG1 3.29Å
167L89.1Confident86.8Confident3 Ų348.3 Ų48.32%0.01627%0.272CS..Hα-helixtrans-61.5-45.5174.1178.364.2000111.4L75 F96 L115 I153 D163 N164 N165 T170 I171L75-L167 HydrophobicContact CD2-CD1 4.2Å; F96-L167 HydrophobicContact CB-CD2 4.35Å; F96-L167 HydrophobicContact CD2-CD2 4.45Å; F96-L167 HydrophobicContact CG-CD2 4.32Å; L115-L167 HydrophobicContact CD1-CD1 4.04Å; L115-L167 HydrophobicContact CD1-CD2 3.91Å; L115-L167 HydrophobicContact CD2-CD1 4.35Å; I153-L167 HydrophobicContact CD1-CD2 3.87Å; D163-L167 WeakPolarHBondContact O-CB 3.49Å; D163-L167 PolarHBondContact O-N 3.44Å; N164-L167 WeakPolarHBondContact O-CB 3.47Å; N164-L167 PolarHBondContact O-N 3.34Å; N165-L167 VanDerWaalsContact C-N 3.28Å; N165-L167 PolarHBondContact O-N 3.06Å; L167-T170 PolarHBondContact O-N 3.21Å; L167-I171 HydrophobicContact CD1-CD1 3.96Å; L167-I171 HydrophobicContact CD1-CG1 4.38Å; L167-I171 HydrophobicContact CG-CD1 3.85Å; L167-I171 WeakPolarHBondContact O-CB 3.41Å; L167-I171 WeakPolarHBondContact O-CD1 3.3Å; L167-I171 VanDerWaalsContact O-CG1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.4Å; L167-I171 PolarHBondContact O-N 3.13Å
168L89.8Confident84.8Confident43 Ų4352.1 Ų52.123%0.22528%0.281CS..Hα-helixtrans-59.5-49.6176.3-179.161.5000111.2F154 L159 N164 N165 T170 I171 C172F154-L168 HydrophobicContact CD1-CB 3.72Å; F154-L168 HydrophobicContact CD1-CD1 3.79Å; F154-L168 HydrophobicContact CD1-CD2 4.31Å; F154-L168 HydrophobicContact CD1-CG 4.14Å; F154-L168 HydrophobicContact CD2-CD1 4.38Å; F154-L168 HydrophobicContact CE1-CB 3.65Å; F154-L168 HydrophobicContact CE1-CD1 3.93Å; F154-L168 HydrophobicContact CE1-CG 4.34Å; F154-L168 HydrophobicContact CG-CD1 4.03Å; F154-L168 HydrophobicContact CZ-CD1 4.31Å; L159-L168 HydrophobicContact CD1-CB 4.38Å; L159-L168 HydrophobicContact CD1-CD2 3.75Å; N164-L168 PolarHBondContact O-N 2.64Å; N165-L168 WeakPolarHBondContact O-CB 3.36Å; N165-L168 PolarHBondContact O-N 2.88Å; N165-L168 VanDerWaalsContact O-N 3.16Å; L168-T170 VanDerWaalsContact C-N 3.3Å; L168-T170 PolarHBondContact O-N 3.44Å; L168-I171 PolarHBondContact O-N 3.42Å; L168-C172 WeakPolarHBondContact O-CB 3.47Å; L168-C172 PolarHBondContact O-N 3.33Å; L168-C172 PolarHBondContact O-SG 3.03Å
169V88.7Confident82.9Confident60 Ų6058.9 Ų58.936%0.36431%0.313SS..Hα-helixtrans-59.8-42.5179.3174.30000110.9N165 L166 I171 C172 M173N165-V169 WeakPolarHBondContact O-CG2 3.26Å; N165-V169 PolarHBondContact O-N 3.48Å; L166-V169 PolarHBondContact O-N 2.92Å; V169-I171 PolarHBondContact O-N 2.7Å; V169-C172 PolarHBondContact O-N 3.01Å; V169-M173 HydrophobicContact CG1-CE 3.47Å; V169-M173 VanDerWaalsContact CG1-CE 3.47Å; V169-M173 WeakPolarHBondContact O-CG 3.46Å; V169-M173 PolarHBondContact O-N 2.82Å
170T86.5Confident81.1Confident1 Ų167.1 Ų67.11%0.00634%0.343CS..Hα-helixtrans-63.4-41.7177.5-54.90000111.7L75 V78 A79 L166 L167 L168 M173 L174L75-T170 HydrophobicContact CD1-CG2 3.39Å; L75-T170 HydrophobicContact CG-CG2 4.03Å; V78-T170 HydrophobicContact CB-CG2 3.85Å; V78-T170 HydrophobicContact CG1-CG2 3.7Å; A79-T170 HydrophobicContact CB-CG2 4.41Å; L166-T170 WeakPolarHBondContact O-CB 3.47Å; L166-T170 PolarHBondContact O-N 2.73Å; L166-T170 PolarHBondContact O-OG1 3.29Å; L167-T170 PolarHBondContact O-N 3.21Å; L168-T170 VanDerWaalsContact C-N 3.3Å; L168-T170 PolarHBondContact O-N 3.44Å; T170-M173 PolarHBondContact O-N 3.03Å; T170-L174 WeakPolarHBondContact O-CB 3.05Å; T170-L174 PolarHBondContact O-N 3.45Å
171I88.9Confident79.4Confident2 Ų268 Ų681%0.0134%0.342CS..Hα-helixtrans-65-44.3175.1-74.1163.2000111.1F18 L146 I148 F154 L167 L168 V169 M173 L174 L175F18-I171 HydrophobicContact CE2-CG2 4.06Å; F18-I171 HydrophobicContact CZ-CG2 4.09Å; L146-I171 HydrophobicContact CD2-CB 4.17Å; L146-I171 HydrophobicContact CD2-CD1 4.37Å; L146-I171 HydrophobicContact CD2-CG1 3.97Å; L146-I171 HydrophobicContact CD2-CG2 3.26Å; I148-I171 HydrophobicContact CD1-CD1 3.6Å; F154-I171 HydrophobicContact CZ-CD1 3.75Å; L167-I171 HydrophobicContact CD1-CD1 3.96Å; L167-I171 HydrophobicContact CD1-CG1 4.38Å; L167-I171 HydrophobicContact CG-CD1 3.85Å; L167-I171 WeakPolarHBondContact O-CB 3.41Å; L167-I171 WeakPolarHBondContact O-CD1 3.3Å; L167-I171 VanDerWaalsContact O-CG1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.4Å; L167-I171 PolarHBondContact O-N 3.13Å; L168-I171 PolarHBondContact O-N 3.42Å; V169-I171 PolarHBondContact O-N 2.7Å; I171-M173 VanDerWaalsContact C-N 3.34Å; I171-M173 PolarHBondContact O-N 3.26Å; I171-L174 WeakPolarHBondContact O-CB 3.37Å; I171-L174 PolarHBondContact O-N 3.4Å; I171-L174 VanDerWaalsContact O-N 3.11Å; I171-L175 HydrophobicContact CG2-CD1 3.78Å; I171-L175 HydrophobicContact CG2-CG 4.34Å; I171-L175 WeakPolarHBondContact O-CG 3.36Å; I171-L175 PolarHBondContact O-N 3.4Å
172C87.2Confident78Confident61 Ų6171.3 Ų71.341%0.41237%0.367SS..Hα-helixtrans-60.8-43.1176.9-720000111.2L168 V169 L174 L175 T176L168-C172 WeakPolarHBondContact O-CB 3.47Å; L168-C172 PolarHBondContact O-N 3.33Å; L168-C172 PolarHBondContact O-SG 3.03Å; V169-C172 PolarHBondContact O-N 3.01Å; C172-L174 VanDerWaalsContact C-N 3.28Å; C172-L174 PolarHBondContact O-N 3.15Å; C172-L175 PolarHBondContact O-N 3.32Å; C172-T176 WeakPolarHBondContact O-CB 3.4Å; C172-T176 PolarHBondContact O-N 2.83Å
173M84.8Confident76.7Confident89 Ų8973.8 Ų73.844%0.43839%0.387SS..Hα-helixtrans-63.7-32.7174.1-73.4-163.6-11700112.9V78 V169 T170 I171V78-M173 HydrophobicContact CG1-CB 4.19Å; V78-M173 HydrophobicContact CG1-SD 4.42Å; V169-M173 HydrophobicContact CG1-CE 3.47Å; V169-M173 VanDerWaalsContact CG1-CE 3.47Å; V169-M173 WeakPolarHBondContact O-CG 3.46Å; V169-M173 PolarHBondContact O-N 2.82Å; T170-M173 PolarHBondContact O-N 3.03Å; I171-M173 VanDerWaalsContact C-N 3.34Å; I171-M173 PolarHBondContact O-N 3.26Å
174L83.1Confident75.5Confident46 Ų4677.1 Ų77.124%0.24141%0.411CS..Hα-helixtrans-73.3-39.2178.3179.765.6000112.4L114 L131 K144 T170 I171 C172L114-L174 HydrophobicContact CD1-CD2 4.05Å; L131-L174 HydrophobicContact CD1-CD2 4.24Å; L131-L174 HydrophobicContact CD2-CD2 4.04Å; K144-L174 PolarHBondContact NZ-O 3.44Å; T170-L174 WeakPolarHBondContact O-CB 3.05Å; T170-L174 PolarHBondContact O-N 3.45Å; I171-L174 WeakPolarHBondContact O-CB 3.37Å; I171-L174 PolarHBondContact O-N 3.4Å; I171-L174 VanDerWaalsContact O-N 3.11Å; C172-L174 VanDerWaalsContact C-N 3.28Å; C172-L174 PolarHBondContact O-N 3.15Å
175L80.4Confident74.6Confident16 Ų1682.1 Ų82.18%0.08444%0.437CS..Hα-helixtrans-84.7-44.7-176.9-70.1177000112.5N16 F18 K144 L146 I171 C172 P177N16-L175 HydrophobicContact CB-CD2 4.3Å; N16-L175 PolarHBondContact ND2-O 2.91Å; F18-L175 HydrophobicContact CB-CD1 3.83Å; F18-L175 HydrophobicContact CD2-CD1 4.1Å; F18-L175 HydrophobicContact CG-CD1 4Å; K144-L175 HydrophobicContact CB-CD2 4.21Å; L146-L175 HydrophobicContact CB-CD1 4.42Å; L146-L175 HydrophobicContact CB-CD2 3.95Å; L146-L175 HydrophobicContact CD2-CD1 3.98Å; L146-L175 HydrophobicContact CD2-CG 4.3Å; I171-L175 HydrophobicContact CG2-CD1 3.78Å; I171-L175 HydrophobicContact CG2-CG 4.34Å; I171-L175 WeakPolarHBondContact O-CG 3.36Å; I171-L175 PolarHBondContact O-N 3.4Å; C172-L175 PolarHBondContact O-N 3.32Å; L175-P177 WeakPolarHBondContact O-CD 3.17Å
176T74.4Confident73.9Confident79 Ų7982.9 Ų82.949%0.48545%0.449SS..SBendtrans-97.6108.9-179.3-53.90000107.8C172 M178C172-T176 WeakPolarHBondContact O-CB 3.4Å; C172-T176 PolarHBondContact O-N 2.83Å; T176-M178 PolarHBondContact O-N 3.29Å
177P60.3Low73.5Confident78 Ų7885.1 Ų85.151%0.50647%0.465SS..  trans-58.4131.3160.127.8-30.5000105.9L175 E179L175-P177 WeakPolarHBondContact O-CD 3.17Å; P177-E179 PolarHBondContact O-N 2.82Å
178M49.5Very low73Confident139 Ų13987.4 Ų87.469%0.68548%0.484SS*.  trans-63.667.5-176.6-67.2-76.7-72.900111.2T176T176-M178 PolarHBondContact O-N 3.29Å
179E52.3Low72.2Confident156 Ų15687.1 Ų87.173%0.72949%0.492SS*.  trans-87.9108.7162.2-159.6167.3-157.500104.2P177 H181P177-E179 PolarHBondContact O-N 2.82Å; E179-H181 PolarHBondContact O-N 2.99Å
180Y54.2Low71.6Confident206 Ų20688.3 Ų88.381%0.80850%0.502SS*.  trans-59.786.1171.7-88-95.7000107.9V182Y180-V182 PolarHBondContact O-N 2.72Å
181H55.7Low71.1Confident157 Ų15793.6 Ų93.673%0.72753%0.531SS*.  trans-69117.5162.3-132.958.2000105.3E179 T183E179-H181 PolarHBondContact O-N 2.99Å; H181-T183 PolarHBondContact O-N 2.67Å
182V60.7Low70.2Confident135 Ų135100 Ų10082%0.81856%0.56SS**  trans-66.583.5171.1-177.70000106Y180Y180-V182 PolarHBondContact O-N 2.72Å
183T61.9Low69.1Low111 Ų111102 Ų10268%0.68157%0.571SS**  trans-61.9125.1165.434.50000106.3H181 D185H181-T183 PolarHBondContact O-N 2.67Å; T183-D185 PolarHBondContact O-N 2.79Å
184P65.8Low68.1Low110 Ų110105.5 Ų105.571%0.71458%0.583SS**  trans-57.3142.8174.524.9-32.4000108.4S186P184-S186 VanDerWaalsContact C-N 3.33Å; P184-S186 PolarHBondContact O-N 3.46Å
185D73.1Confident67Low105 Ų105107.2 Ų107.256%0.56160%0.599SS**  trans-64.894.5-177.5-175.9-5.4000109.7T183 V187 A188 G189T183-D185 PolarHBondContact O-N 2.79Å; D185-V187 PolarHBondContact O-N 3.43Å; D185-V187 WeakPolarHBondContact OD1-CA 3.43Å; D185-V187 VanDerWaalsContact OD1-CB 3.29Å; D185-V187 WeakPolarHBondContact OD1-CB 3.49Å; D185-V187 PolarHBondContact OD1-N 3.21Å; D185-A188 HydrophobicContact CB-CB 3.82Å; D185-A188 PolarHBondContact O-N 3.24Å; D185-A188 PolarHBondContact OD1-N 3.04Å; D185-A188 WeakPolarHBondContact OD2-CB 3.29Å; D185-G189 PolarHBondContact O-N 3.18Å
186S76.9Confident66Low98 Ų98112.9 Ų112.969%0.68564%0.638SS**Hα-helixtrans-62.2-24.2177.323.50000112.1P184 S190P184-S186 VanDerWaalsContact C-N 3.33Å; P184-S186 PolarHBondContact O-N 3.46Å; S186-S190 WeakPolarHBondContact O-CB 3.47Å; S186-S190 PolarHBondContact O-N 3.23Å; S186-S190 PolarHBondContact O-OG 3.16Å
187V79.5Confident64.9Low93 Ų93113.8 Ų113.856%0.56464%0.639SS**Hα-helixtrans-72.3-49175.2-178.30000109.3D185 G189 S190 N191D185-V187 PolarHBondContact O-N 3.43Å; D185-V187 WeakPolarHBondContact OD1-CA 3.43Å; D185-V187 VanDerWaalsContact OD1-CB 3.29Å; D185-V187 WeakPolarHBondContact OD1-CB 3.49Å; D185-V187 PolarHBondContact OD1-N 3.21Å; V187-G189 VanDerWaalsContact C-N 3.32Å; V187-G189 PolarHBondContact O-N 2.94Å; V187-S190 WeakPolarHBondContact CA-OG 3.41Å; V187-S190 PolarHBondContact O-N 3.26Å; V187-S190 VanDerWaalsContact O-N 3.13Å; V187-S190 PolarHBondContact O-OG 3.21Å; V187-N191 PolarHBondContact O-N 3.06Å
188A79Confident64.7Low51 Ų51119.6 Ų119.642%0.42166%0.66SS.*Hα-helixtrans-57.5-45.2172.900000111.9D185 S190 N191 E192D185-A188 HydrophobicContact CB-CB 3.82Å; D185-A188 PolarHBondContact O-N 3.24Å; D185-A188 PolarHBondContact OD1-N 3.04Å; D185-A188 WeakPolarHBondContact OD2-CB 3.29Å; A188-S190 VanDerWaalsContact C-N 3.29Å; A188-S190 PolarHBondContact O-N 2.88Å; A188-N191 PolarHBondContact O-N 3.04Å; A188-E192 PolarHBondContact O-N 3.38Å
189G74Confident65Low37 Ų37116.8 Ų116.838%0.38165%0.645SS.*Hα-helixtrans-67.6-23.9177.100000114.5D185 V187D185-G189 PolarHBondContact O-N 3.18Å; V187-G189 VanDerWaalsContact C-N 3.32Å; V187-G189 PolarHBondContact O-N 2.94Å
190S75.5Confident65Low84 Ų84111.8 Ų111.859%0.58763%0.63SS**Hα-helixtrans-81.3-28.5174.470.40000113.3S186 V187 A188 E192S186-S190 WeakPolarHBondContact O-CB 3.47Å; S186-S190 PolarHBondContact O-N 3.23Å; S186-S190 PolarHBondContact O-OG 3.16Å; V187-S190 WeakPolarHBondContact CA-OG 3.41Å; V187-S190 PolarHBondContact O-N 3.26Å; V187-S190 VanDerWaalsContact O-N 3.13Å; V187-S190 PolarHBondContact O-OG 3.21Å; A188-S190 VanDerWaalsContact C-N 3.29Å; A188-S190 PolarHBondContact O-N 2.88Å; S190-E192 PolarHBondContact O-N 3.13Å
191N75.1Confident64.9Low113 Ų113109.7 Ų109.760%0.60463%0.627SS**Hα-helixtrans-72.7-21.2173.7-74.2-19.4000111.9V187 A188 V193 I209V187-N191 PolarHBondContact O-N 3.06Å; A188-N191 PolarHBondContact O-N 3.04Å; N191-V193 PolarHBondContact O-N 3.41Å; N191-V193 VanDerWaalsContact O-N 3.14Å; N191-I209 VanDerWaalsContact O-CD1 3.31Å; N191-I209 WeakPolarHBondContact O-CD1 3.43Å
192E71.6Confident64.7Low135 Ų135107 Ų10763%0.63162%0.622SS**SBendtrans-72.7101171.5-164.1178-167.800109.4A188 S190 K194A188-E192 PolarHBondContact O-N 3.38Å; S190-E192 PolarHBondContact O-N 3.13Å; E192-K194 PolarHBondContact O-N 2.89Å
193V64.5Low64.4Low105 Ų105108.7 Ų108.764%0.63662%0.619SS**  trans-64.5110.7175.6168.10000108.9N191 I209N191-V193 PolarHBondContact O-N 3.41Å; N191-V193 VanDerWaalsContact O-N 3.14Å; V193-I209 HydrophobicContact CB-CD1 4.09Å; V193-I209 HydrophobicContact CB-CG1 4.5Å; V193-I209 HydrophobicContact CG2-CD1 3.25Å; V193-I209 HydrophobicContact CG2-CG1 3.82Å
194K62.6Low64Low161 Ų161107.4 Ų107.470%0.761%0.612SS**  trans-83.5126.1168.2-66-179.9-179.11780108.1E192 C196E192-K194 PolarHBondContact O-N 2.89Å; K194-C196 PolarHBondContact O-N 2.74Å
195C59.7Low63.5Low83 Ų83110.6 Ų110.656%0.56162%0.622SS**  trans-66.2117.9171-158.30000108.1L197C195-L197 WeakPolarHBondContact CB-O 3.47Å; C195-L197 PolarHBondContact SG-O 3.04Å
196C59.9Low62.7Low135 Ų135107.5 Ų107.591%0.91261%0.609SS**SBendtrans-72.7-20.2177.4-64.30000112.2K194K194-C196 PolarHBondContact O-N 2.74Å
197L52.1Low62Low98 Ų98109.8 Ų109.851%0.51361%0.613SS.*SBendtrans-89.8128161.8-102.585.6000107.8C195 E199C195-L197 WeakPolarHBondContact CB-O 3.47Å; C195-L197 PolarHBondContact SG-O 3.04Å; L197-E199 PolarHBondContact O-N 3.25Å; L197-E199 VanDerWaalsContact O-N 3.07Å
198Q55.4Low60.9Low199 Ų199110 Ų11093%0.9361%0.612SS**THydrogen-bonded Turntrans-71.31.2176-158.4160.4-13.500112.6
199E54.9Low60.3Low81 Ų81110.6 Ų110.638%0.37961%0.607SS.*THydrogen-bonded Turntrans-113.85.3-161.3-64.2179.3175.500115.4L197 E201L197-E199 PolarHBondContact O-N 3.25Å; L197-E199 VanDerWaalsContact O-N 3.07Å; E199-E201 PolarHBondContact O-N 3.37Å
200A53.7Low59.9Low50 Ų50116.9 Ų116.941%0.41363%0.626SS.*  trans-69.984165.200000108.7T202A200-T202 CarbonylContact O-C 3.56Å; A200-T202 PolarHBondContact O-N 3.09Å; A200-T202 VanDerWaalsContact O-N 3.13Å
201E51.8Low59.5Low162 Ų162119 Ų11976%0.75763%0.627SS**  trans-55.6-26.1170.4-72.9-164.215400110.9E199 K203E199-E201 PolarHBondContact O-N 3.37Å; E201-K203 PolarHBondContact O-N 3.23Å
202T51.5Low59.1Low100 Ų100119.2 Ų119.261%0.61363%0.626SS**SBendtrans-78.8107.216457.80000108.8A200A200-T202 CarbonylContact O-C 3.56Å; A200-T202 PolarHBondContact O-N 3.09Å; A200-T202 VanDerWaalsContact O-N 3.13Å
203K53.2Low58.6Low172 Ų172120.4 Ų120.475%0.74863%0.63SS**  trans-40.1132.9150.5-88.4-177.8174.7-174.70107.1E201 L205E201-K203 PolarHBondContact O-N 3.23Å; K203-L205 PolarHBondContact O-N 3.17Å
204P53.6Low58.6Low83 Ų83119 Ų11954%0.53962%0.618SS.*  trans-48.8135.4177.720.2-31.3000108.5S206P204-S206 PolarHBondContact O-N 3.11Å
205L57.1Low58.9Low178 Ų178115.5 Ų115.593%0.93262%0.615SS**SBendtrans-55.1-9.5-168.9-99.4100.3000114.8K203K203-L205 PolarHBondContact O-N 3.17Å
206S56.1Low59.4Low39 Ų39116 Ų11627%0.27362%0.615SS.*  trans-148.6136.9168.360.70000110.6P204 N208P204-S206 PolarHBondContact O-N 3.11Å; S206-N208 PolarHBondContact O-N 3.45Å; S206-N208 PolarHBondContact OG-O 3.4Å
207D61.1Low59.8Low147 Ų147116.4 Ų116.479%0.78661%0.608SS**SBendtrans-58.9-12.3171.1-64.6-33000113.1
208N57.4Low60.3Low98 Ų98119.7 Ų119.752%0.52462%0.62SS.*  trans-107104.9-178.1-73.9-9.9000112.5S206 E210 H211S206-N208 PolarHBondContact O-N 3.45Å; S206-N208 PolarHBondContact OG-O 3.4Å; N208-E210 PolarHBondContact O-N 2.77Å; N208-E210 VanDerWaalsContact O-N 3.11Å; N208-H211 PolarHBondContact O-N 3.07Å; N208-H211 VanDerWaalsContact O-N 3.14Å
209I65.1Low61.1Low63 Ų63113.4 Ų113.432%0.32360%0.598SS.*G310 helixtrans-54.6-29.1176.8-64.1153.1000112.9N191 V193 H211 I212 F213N191-I209 VanDerWaalsContact O-CD1 3.31Å; N191-I209 WeakPolarHBondContact O-CD1 3.43Å; V193-I209 HydrophobicContact CB-CD1 4.09Å; V193-I209 HydrophobicContact CB-CG1 4.5Å; V193-I209 HydrophobicContact CG2-CD1 3.25Å; V193-I209 HydrophobicContact CG2-CG1 3.82Å; I209-H211 PolarHBondContact O-N 2.93Å; I209-H211 VanDerWaalsContact O-N 3.16Å; I209-I212 WeakPolarHBondContact O-CB 3.2Å; I209-I212 PolarHBondContact O-N 2.95Å; I209-F213 HydrophobicContact CG2-CD2 3.78Å; I209-F213 HydrophobicContact CG2-CE2 3.51Å; I209-F213 WeakPolarHBondContact O-CD2 3.35Å; I209-F213 PolarHBondContact O-N 3.06Å
210E67.1Low62Low168 Ų168115.7 Ų115.779%0.78561%0.612SS**G310 helixtrans-56.7-31.1178.7-64.3-175170.900113N208 I212 F213N208-E210 PolarHBondContact O-N 2.77Å; N208-E210 VanDerWaalsContact O-N 3.11Å; E210-I212 VanDerWaalsContact C-N 3.33Å; E210-I212 PolarHBondContact O-N 3.35Å; E210-F213 CarbonylContact O-C 3.25Å; E210-F213 PolarHBondContact O-N 3.21Å
211H66.6Low63.1Low130 Ų130117.8 Ų117.860%0.60262%0.616SS**G310 helixtrans-72-26.4177.3-79.2-69.3000113.4N208 I209 F213N208-H211 PolarHBondContact O-N 3.07Å; N208-H211 VanDerWaalsContact O-N 3.14Å; I209-H211 PolarHBondContact O-N 2.93Å; I209-H211 VanDerWaalsContact O-N 3.16Å; H211-F213 VanDerWaalsContact C-N 3.35Å
212I65.4Low64.6Low116 Ų116117.6 Ų117.660%0.59561%0.609SS**THydrogen-bonded Turntrans-70.9-37.5176.3-55.5175.6000109.5I209 E210 N214I209-I212 WeakPolarHBondContact O-CB 3.2Å; I209-I212 PolarHBondContact O-N 2.95Å; E210-I212 VanDerWaalsContact C-N 3.33Å; E210-I212 PolarHBondContact O-N 3.35Å; I212-N214 PolarHBondContact O-N 3.15Å; I212-N214 VanDerWaalsContact O-N 3.1Å
213F62.4Low66.2Low160 Ų160122.4 Ų122.470%0.70262%0.616SS**THydrogen-bonded Turntrans-85.643.3175.3-64.5-75.8000112.6I209 E210 H211 S215I209-F213 HydrophobicContact CG2-CD2 3.78Å; I209-F213 HydrophobicContact CG2-CE2 3.51Å; I209-F213 WeakPolarHBondContact O-CD2 3.35Å; I209-F213 PolarHBondContact O-N 3.06Å; E210-F213 CarbonylContact O-C 3.25Å; E210-F213 PolarHBondContact O-N 3.21Å; H211-F213 VanDerWaalsContact C-N 3.35Å; F213-S215 VanDerWaalsContact C-N 3.35Å; F213-S215 PolarHBondContact O-N 3.23Å
214N64.6Low67.7Low75 Ų75120 Ų12040%0.40161%0.61SS.*  trans-69.993.6175.5-169.4-3000110.4I212 T216 L217I212-N214 PolarHBondContact O-N 3.15Å; I212-N214 VanDerWaalsContact O-N 3.1Å; N214-T216 PolarHBondContact ND2-OG1 3.04Å; N214-T216 VanDerWaalsContact ND2-OG1 3.09Å; N214-T216 PolarHBondContact O-N 3.07Å; N214-T216 WeakPolarHBondContact OD1-CB 3.33Å; N214-T216 WeakPolarHBondContact OD1-CG2 3.49Å; N214-T216 PolarHBondContact OD1-N 3.42Å; N214-T216 VanDerWaalsContact OD1-N 3.13Å; N214-T216 PolarHBondContact OD1-OG1 2.96Å; N214-L217 WeakPolarHBondContact O-CB 3.34Å; N214-L217 PolarHBondContact O-N 3.4Å
215S68.5Low69.2Low89 Ų89123.2 Ų123.262%0.62261%0.612SS**G310 helixtrans-57-20.3177.660.40000113.1F213 L217 H218 S219F213-S215 VanDerWaalsContact C-N 3.35Å; F213-S215 PolarHBondContact O-N 3.23Å; S215-L217 VanDerWaalsContact C-N 3.25Å; S215-L217 PolarHBondContact O-N 3.11Å; S215-H218 CarbonylContact O-C 3.51Å; S215-H218 PolarHBondContact O-N 3.28Å; S215-S219 WeakPolarHBondContact O-CB 3.41Å; S215-S219 PolarHBondContact O-N 3.49Å
216T69.1Low70.6Confident92 Ų92117.9 Ų117.956%0.56459%0.588SS**G310 helixtrans-65.2-28.2176.267.10000112.9N214 H218 S219N214-T216 PolarHBondContact ND2-OG1 3.04Å; N214-T216 VanDerWaalsContact ND2-OG1 3.09Å; N214-T216 PolarHBondContact O-N 3.07Å; N214-T216 WeakPolarHBondContact OD1-CB 3.33Å; N214-T216 WeakPolarHBondContact OD1-CG2 3.49Å; N214-T216 PolarHBondContact OD1-N 3.42Å; N214-T216 VanDerWaalsContact OD1-N 3.13Å; N214-T216 PolarHBondContact OD1-OG1 2.96Å; T216-H218 VanDerWaalsContact C-N 3.28Å; T216-H218 PolarHBondContact O-N 3.01Å; T216-S219 WeakPolarHBondContact CA-OG 3.15Å; T216-S219 PolarHBondContact O-OG 2.95Å
217L68.7Low72.1Confident145 Ų145119.2 Ų119.276%0.75959%0.592SS**G310 helixtrans-69.2-28.8177.8-156.980.5000112N214 S215N214-L217 WeakPolarHBondContact O-CB 3.34Å; N214-L217 PolarHBondContact O-N 3.4Å; S215-L217 VanDerWaalsContact C-N 3.25Å; S215-L217 PolarHBondContact O-N 3.11Å
218H63.9Low73.2Confident166 Ų166115.5 Ų115.577%0.76958%0.575SS**THydrogen-bonded Turntrans-109.71.2179.7-73-67.2000114S215 T216 I220S215-H218 CarbonylContact O-C 3.51Å; S215-H218 PolarHBondContact O-N 3.28Å; T216-H218 VanDerWaalsContact C-N 3.28Å; T216-H218 PolarHBondContact O-N 3.01Å; H218-I220 PolarHBondContact O-N 3.37Å
219S71.9Confident74.4Confident67 Ų67114 Ų11447%0.46957%0.566SS.*  trans-79.3114.5177.465.50000109.9S215 T216 D221S215-S219 WeakPolarHBondContact O-CB 3.41Å; S215-S219 PolarHBondContact O-N 3.49Å; T216-S219 WeakPolarHBondContact CA-OG 3.15Å; T216-S219 PolarHBondContact O-OG 2.95Å; S219-D221 PolarHBondContact O-N 2.91Å; S219-D221 VanDerWaalsContact O-N 3.16Å
220I73.1Confident75.2Confident130 Ų130118.1 Ų118.167%0.66758%0.578SS**  trans-71.6106165.2-61.6172.4000106.9H218 Y222H218-I220 PolarHBondContact O-N 3.37Å; I220-Y222 HydrophobicContact CB-CE2 4.39Å; I220-Y222 HydrophobicContact CG2-CD2 4.45Å; I220-Y222 HydrophobicContact CG2-CE1 4.12Å; I220-Y222 HydrophobicContact CG2-CE2 3.86Å
221D77.6Confident75.9Confident93 Ų93117.7 Ų117.750%0.49757%0.573SS.*  trans-87116.8179.8-165.3-7.1000111.1S219 R223S219-D221 PolarHBondContact O-N 2.91Å; S219-D221 VanDerWaalsContact O-N 3.16Å; D221-R223 VanDerWaalsContact OD1-CB 3.24Å; D221-R223 WeakPolarHBondContact OD1-CB 3.3Å; D221-R223 WeakPolarHBondContact OD1-CD 3.3Å; D221-R223 WeakPolarHBondContact OD1-CG 3.17Å; D221-R223 PolarHBondContact OD1-N 3.45Å; D221-R223 IonicContact OD1-NE 2.71Å; D221-R223 VanDerWaalsContact OD2-CD 3.29Å; D221-R223 WeakPolarHBondContact OD2-CD 3.31Å; D221-R223 IonicContact OD2-NE 2.74Å; D221-R223 IonicContact OD2-NH1 3.83Å
222Y82.6Confident76.4Confident158 Ų158115.2 Ų115.262%0.6257%0.567SS**  trans-89.74.9175.6-63.2-81.7000113.1I220 L224 W225 P226I220-Y222 HydrophobicContact CB-CE2 4.39Å; I220-Y222 HydrophobicContact CG2-CD2 4.45Å; I220-Y222 HydrophobicContact CG2-CE1 4.12Å; I220-Y222 HydrophobicContact CG2-CE2 3.86Å; Y222-L224 PolarHBondContact O-N 3.13Å; Y222-W225 WeakPolarHBondContact O-CB 3.43Å; Y222-W225 PolarHBondContact O-N 3.36Å; Y222-P226 WeakPolarHBondContact O-CD 3.5Å
223R85Confident76.5Confident201 Ų201114.8 Ų114.876%0.75857%0.566SS**THydrogen-bonded Turntrans-55.3-35.3-179.1-79.8173.7-166172.7-1113.8D221 W225 P226D221-R223 VanDerWaalsContact OD1-CB 3.24Å; D221-R223 WeakPolarHBondContact OD1-CB 3.3Å; D221-R223 WeakPolarHBondContact OD1-CD 3.3Å; D221-R223 WeakPolarHBondContact OD1-CG 3.17Å; D221-R223 PolarHBondContact OD1-N 3.45Å; D221-R223 IonicContact OD1-NE 2.71Å; D221-R223 VanDerWaalsContact OD2-CD 3.29Å; D221-R223 WeakPolarHBondContact OD2-CD 3.31Å; D221-R223 IonicContact OD2-NE 2.74Å; D221-R223 IonicContact OD2-NH1 3.83Å; R223-W225 VanDerWaalsContact C-N 3.34Å; R223-P226 VanDerWaalsContact O-CD 3.31Å; R223-P226 WeakPolarHBondContact O-CD 3.44Å
224L83.8Confident76.5Confident121 Ų121116.4 Ų116.463%0.63457%0.569SS**THydrogen-bonded Turntrans-83.1-10.3177.9-65.3172.6000113.1Y222 D227 V228Y222-L224 PolarHBondContact O-N 3.13Å; L224-D227 PolarHBondContact O-N 3.28Å; L224-D227 VanDerWaalsContact O-N 3.14Å; L224-V228 WeakPolarHBondContact O-CG2 3.49Å; L224-V228 PolarHBondContact O-N 3.14Å
225W85.4Confident76.2Confident151 Ų151115.5 Ų115.557%0.57257%0.571SS**Hα-helixtrans-57.5-43.1-177.7-172.5-118.7000113.7Y222 R223 D227 V228 I229Y222-W225 WeakPolarHBondContact O-CB 3.43Å; Y222-W225 PolarHBondContact O-N 3.36Å; R223-W225 VanDerWaalsContact C-N 3.34Å; W225-D227 VanDerWaalsContact C-N 3.34Å; W225-D227 PolarHBondContact O-N 2.93Å; W225-V228 PolarHBondContact O-N 2.93Å; W225-I229 HydrophobicContact CD2-CD1 4.3Å; W225-I229 HydrophobicContact CD2-CG1 4.47Å; W225-I229 HydrophobicContact CG-CD1 4.3Å; W225-I229 HydrophobicContact CZ2-CD1 4.21Å; W225-I229 HydrophobicContact CZ2-CG1 4.39Å; W225-I229 VanDerWaalsContact NE1-CD1 3.34Å; W225-I229 WeakPolarHBondContact O-CG1 3.39Å; W225-I229 PolarHBondContact O-N 3.33Å
226P87.4Confident75.5Confident67 Ų67113.9 Ų113.944%0.43556%0.564SS.*Hα-helixtrans-66.9-32.2176.6-18.832.9000113.5Y222 R223 R230Y222-P226 WeakPolarHBondContact O-CD 3.5Å; R223-P226 VanDerWaalsContact O-CD 3.31Å; R223-P226 WeakPolarHBondContact O-CD 3.44Å; P226-R230 WeakPolarHBondContact O-CB 3.48Å; P226-R230 WeakPolarHBondContact O-CG 3.31Å; P226-R230 PolarHBondContact O-N 3.5Å; P226-R230 VanDerWaalsContact O-N 3.09Å; P226-R230 PolarHBondContact O-NE 3.05Å
227D86.4Confident74.7Confident67 Ų67116.7 Ų116.736%0.35857%0.574SS.*Hα-helixtrans-70.4-40.7175.6-73.2-31.7000111L224 W225 R230 K231L224-D227 PolarHBondContact O-N 3.28Å; L224-D227 VanDerWaalsContact O-N 3.14Å; W225-D227 VanDerWaalsContact C-N 3.34Å; W225-D227 PolarHBondContact O-N 2.93Å; D227-R230 PolarHBondContact O-N 2.79Å; D227-R230 IonicContact OD1-CZ 3.18Å; D227-R230 IonicContact OD1-NE 3.93Å; D227-R230 IonicContact OD1-NH1 3.63Å; D227-R230 IonicContact OD1-NH2 2.59Å; D227-R230 PolarHBondContact OD1-NH2 3.42Å; D227-K231 WeakPolarHBondContact O-CG 3.33Å; D227-K231 PolarHBondContact O-N 3.18Å
228V85Confident73.8Confident68 Ų68117.8 Ų117.841%0.41258%0.577SS.*Hα-helixtrans-63.4-47.8175.1174.80000110.5L224 W225 R230 K231 V232L224-V228 WeakPolarHBondContact O-CG2 3.49Å; L224-V228 PolarHBondContact O-N 3.14Å; W225-V228 PolarHBondContact O-N 2.93Å; V228-R230 VanDerWaalsContact C-N 3.33Å; V228-R230 PolarHBondContact O-N 3.15Å; V228-K231 PolarHBondContact O-N 3.13Å; V228-V232 HydrophobicContact CG1-CG2 4.1Å; V228-V232 WeakPolarHBondContact O-CB 3.49Å; V228-V232 VanDerWaalsContact O-CG2 3.29Å; V228-V232 WeakPolarHBondContact O-CG2 3.42Å; V228-V232 PolarHBondContact O-N 3.26Å
229I83.3Confident73.1Confident68 Ų68113.2 Ų113.235%0.34956%0.564SS.*Hα-helixtrans-59.3-43.8176.8-70.9171.3000111.2W225 K231 V232 N233W225-I229 HydrophobicContact CD2-CD1 4.3Å; W225-I229 HydrophobicContact CD2-CG1 4.47Å; W225-I229 HydrophobicContact CG-CD1 4.3Å; W225-I229 HydrophobicContact CZ2-CD1 4.21Å; W225-I229 HydrophobicContact CZ2-CG1 4.39Å; W225-I229 VanDerWaalsContact NE1-CD1 3.34Å; W225-I229 WeakPolarHBondContact O-CG1 3.39Å; W225-I229 PolarHBondContact O-N 3.33Å; I229-K231 PolarHBondContact O-N 3.45Å; I229-V232 PolarHBondContact O-N 3.27Å; I229-N233 WeakPolarHBondContact O-CB 3.4Å; I229-N233 PolarHBondContact O-N 3.06Å
230R81.3Confident72Confident149 Ų149117.1 Ų117.156%0.56258%0.58SS**Hα-helixtrans-58.1-51176.6-83.2-176.5-81.6154.9-9.7110.7P226 D227 V228 V232 N233 Y234P226-R230 WeakPolarHBondContact O-CB 3.48Å; P226-R230 WeakPolarHBondContact O-CG 3.31Å; P226-R230 PolarHBondContact O-N 3.5Å; P226-R230 VanDerWaalsContact O-N 3.09Å; P226-R230 PolarHBondContact O-NE 3.05Å; D227-R230 PolarHBondContact O-N 2.79Å; D227-R230 IonicContact OD1-CZ 3.18Å; D227-R230 IonicContact OD1-NE 3.93Å; D227-R230 IonicContact OD1-NH1 3.63Å; D227-R230 IonicContact OD1-NH2 2.59Å; D227-R230 PolarHBondContact OD1-NH2 3.42Å; V228-R230 VanDerWaalsContact C-N 3.33Å; V228-R230 PolarHBondContact O-N 3.15Å; R230-V232 PolarHBondContact O-N 3.33Å; R230-N233 PolarHBondContact O-N 2.77Å; R230-Y234 WeakPolarHBondContact O-CD2 3.22Å; R230-Y234 PolarHBondContact O-N 3.32Å; R230-Y234 VanDerWaalsContact O-N 3.11Å
231K82.6Confident70.8Confident159 Ų159121.5 Ų121.569%0.69159%0.588SS**Hα-helixtrans-63.2-39.7178.8-72.5-178.3-179.2179.40112.9D227 V228 I229 Y234 A235D227-K231 WeakPolarHBondContact O-CG 3.33Å; D227-K231 PolarHBondContact O-N 3.18Å; V228-K231 PolarHBondContact O-N 3.13Å; I229-K231 PolarHBondContact O-N 3.45Å; K231-Y234 PolarHBondContact O-N 2.94Å; K231-A235 WeakPolarHBondContact O-CB 3.48Å; K231-A235 PolarHBondContact O-N 3.04Å
232V76.5Confident69Low77 Ų77122.7 Ų122.747%0.46760%0.599SS.*Hα-helixtrans-66.4-41.1176.71700000110.9V228 I229 R230 Y234 A235 A236V228-V232 HydrophobicContact CG1-CG2 4.1Å; V228-V232 WeakPolarHBondContact O-CB 3.49Å; V228-V232 VanDerWaalsContact O-CG2 3.29Å; V228-V232 WeakPolarHBondContact O-CG2 3.42Å; V228-V232 PolarHBondContact O-N 3.26Å; I229-V232 PolarHBondContact O-N 3.27Å; R230-V232 PolarHBondContact O-N 3.33Å; V232-Y234 VanDerWaalsContact C-N 3.29Å; V232-Y234 PolarHBondContact O-N 2.89Å; V232-A235 CarbonylContact O-C 3.56Å; V232-A235 PolarHBondContact O-N 3.33Å; V232-A235 VanDerWaalsContact O-N 3.13Å; V232-A236 WeakPolarHBondContact O-CA 3.34Å; V232-A236 WeakPolarHBondContact O-CB 3.34Å; V232-A236 PolarHBondContact O-N 3.12Å
233N67.3Low67.4Low107 Ų107120.9 Ų120.957%0.57260%0.604SS**Hα-helixtrans-64.2-34.8175.3-77-15.4000112.2I229 R230I229-N233 WeakPolarHBondContact O-CB 3.4Å; I229-N233 PolarHBondContact O-N 3.06Å; R230-N233 PolarHBondContact O-N 2.77Å
234Y61.8Low65.3Low195 Ų195122 Ų12277%0.76561%0.608SS**Hα-helixtrans-68.7-36.6171.5-80.7-72.8000112.7R230 K231 V232R230-Y234 WeakPolarHBondContact O-CD2 3.22Å; R230-Y234 PolarHBondContact O-N 3.32Å; R230-Y234 VanDerWaalsContact O-N 3.11Å; K231-Y234 PolarHBondContact O-N 2.94Å; V232-Y234 VanDerWaalsContact C-N 3.29Å; V232-Y234 PolarHBondContact O-N 2.89Å
235A57.9Low63.7Low55 Ų55120.6 Ų120.646%0.45562%0.615SS.*Hα-helixtrans-80.6-29.3178.100000113.6K231 V232 L237 M238K231-A235 WeakPolarHBondContact O-CB 3.48Å; K231-A235 PolarHBondContact O-N 3.04Å; V232-A235 CarbonylContact O-C 3.56Å; V232-A235 PolarHBondContact O-N 3.33Å; V232-A235 VanDerWaalsContact O-N 3.13Å; A235-L237 PolarHBondContact O-N 2.99Å; A235-M238 WeakPolarHBondContact O-CA 3.42Å; A235-M238 WeakPolarHBondContact O-CB 3.27Å; A235-M238 PolarHBondContact O-N 3.39Å
236A54.1Low62Low56 Ų56120.2 Ų120.246%0.46362%0.624SS.*Hα-helixtrans-72.5-17.4179.700000112V232 M238V232-A236 WeakPolarHBondContact O-CA 3.34Å; V232-A236 WeakPolarHBondContact O-CB 3.34Å; V232-A236 PolarHBondContact O-N 3.12Å; A236-M238 PolarHBondContact O-N 3.19Å
237L53.3Low60.4Low151 Ų151123.2 Ų123.279%0.79164%0.635SS**THydrogen-bonded Turntrans-67.7-13.2164.9-141.680.9000112.6A235A235-L237 PolarHBondContact O-N 2.99Å
238M50.4Low58.4Low167 Ų167132 Ų13282%0.82366%0.663SS**THydrogen-bonded Turntrans-110.80.5-176.2-88.3-156.6-58.300116.3A235 A236A235-M238 WeakPolarHBondContact O-CA 3.42Å; A235-M238 WeakPolarHBondContact O-CB 3.27Å; A235-M238 PolarHBondContact O-N 3.39Å; A236-M238 PolarHBondContact O-N 3.19Å
239S49Very low56.8Low70 Ų70136.6 Ų136.649%0.4968%0.678SS.*  trans-13793.5171.568.20000111.5W241S239-W241 PolarHBondContact O-N 2.97Å
240N47.4Very low55.4Low150 Ų150137.5 Ų137.580%0.80270%0.696SS**  trans-64.459161-53.8-13.9000109.5T242N240-T242 VanDerWaalsContact C-N 3.26Å; N240-T242 PolarHBondContact O-N 2.74Å; N240-T242 VanDerWaalsContact O-N 3.09Å
241W48.7Very low54.1Low221 Ų221137.9 Ų137.984%0.83770%0.704SS**  trans-82.688165.7-113.4-41.2000107.1S239 V243S239-W241 PolarHBondContact O-N 2.97Å; W241-V243 HydrophobicContact CB-CG2 4.31Å; W241-V243 PolarHBondContact O-N 3.33Å
242T40.7Very low52.6Low119 Ų119136.1 Ų136.173%0.7371%0.706SS**  trans-59.473.7157.341.80000108.6N240 R244N240-T242 VanDerWaalsContact C-N 3.26Å; N240-T242 PolarHBondContact O-N 2.74Å; N240-T242 VanDerWaalsContact O-N 3.09Å; T242-R244 PolarHBondContact O-N 2.92Å
243V47.6Very low52.3Low119 Ų119140 Ų14072%0.72172%0.717SS**  trans-70.692.3163.1-177.70000105.1W241 A245W241-V243 HydrophobicContact CB-CG2 4.31Å; W241-V243 PolarHBondContact O-N 3.33Å; V243-A245 VanDerWaalsContact C-N 3.34Å; V243-A245 PolarHBondContact O-N 3.09Å
244R41.5Very low52.5Low224 Ų224139.7 Ų139.785%0.84572%0.721SS**  trans-52101.7169.3-72.7178.8168.1-176.2-3.6107.4T242 N246T242-R244 PolarHBondContact O-N 2.92Å; R244-N246 PolarHBondContact O-N 3.48Å
245A49.5Very low52.7Low93 Ų93135.2 Ų135.277%0.76972%0.716SS**  trans-69.277.1171.400000109.1V243V243-A245 VanDerWaalsContact C-N 3.34Å; V243-A245 PolarHBondContact O-N 3.09Å
246N50Low53.6Low142 Ų142140.6 Ų140.676%0.75974%0.735SS**  trans-119.271.5164.5-84.6-10.7000108.2R244R244-N246 PolarHBondContact O-N 3.48Å
247L53.3Low54.6Low130 Ų130146.1 Ų146.168%0.68175%0.749SS**  trans-133.682.6161.9-63.9171.5000108.1F249L247-F249 HydrophobicContact CB-CD2 3.78Å; L247-F249 HydrophobicContact CB-CE2 3.4Å; L247-F249 HydrophobicContact CB-CZ 3.87Å; L247-F249 HydrophobicContact CD1-CE2 3.74Å; L247-F249 HydrophobicContact CD1-CZ 3.61Å; L247-F249 HydrophobicContact CD2-CZ 4.32Å; L247-F249 HydrophobicContact CG-CE2 4.1Å; L247-F249 HydrophobicContact CG-CZ 4.13Å; L247-F249 PolarHBondContact O-N 3.1Å
248R45Very low55.6Low252 Ų252150.4 Ų150.495%0.95176%0.755SS**  trans-68.987.7155.1-67.3-166.2-172.2-1733.4106.4A250R248-A250 PolarHBondContact O-N 3.39Å
249F52.3Low56.9Low165 Ų165149.6 Ų149.672%0.72475%0.752SS**  trans-68.2114.7166.7-69.3-76.1000107.4L247 Q251L247-F249 HydrophobicContact CB-CD2 3.78Å; L247-F249 HydrophobicContact CB-CE2 3.4Å; L247-F249 HydrophobicContact CB-CZ 3.87Å; L247-F249 HydrophobicContact CD1-CE2 3.74Å; L247-F249 HydrophobicContact CD1-CZ 3.61Å; L247-F249 HydrophobicContact CD2-CZ 4.32Å; L247-F249 HydrophobicContact CG-CE2 4.1Å; L247-F249 HydrophobicContact CG-CZ 4.13Å; L247-F249 PolarHBondContact O-N 3.1Å; F249-Q251 PolarHBondContact O-N 3.34Å
250A54Low58.1Low86 Ų86151.4 Ų151.471%0.71176%0.762SS**  trans-56.8122.9167.900000107.6R248 V252R248-A250 PolarHBondContact O-N 3.39Å; A250-V252 PolarHBondContact O-N 3.02Å
251Q54.3Low59.5Low157 Ų157149.8 Ų149.873%0.73476%0.762SS**  trans-69.182.4-178.8-168.9175.411.400109.2F249 F253F249-Q251 PolarHBondContact O-N 3.34Å; Q251-F253 HydrophobicContact CG-CD2 4.27Å; Q251-F253 HydrophobicContact CG-CE2 3.76Å; Q251-F253 HydrophobicContact CG-CZ 3.96Å
252V50.4Low61Low122 Ų122146.4 Ų146.474%0.73976%0.76SS**  trans-93.8100.7169.3-175.10000106.4A250 P254A250-V252 PolarHBondContact O-N 3.02Å; V252-P254 WeakPolarHBondContact O-CD 3.34Å
253F69.1Low62.9Low158 Ų158145.7 Ų145.769%0.69376%0.758SS**PPolyproline II helixtrans-61.7122.9169.8-67.7-84.5000108.3Q251Q251-F253 HydrophobicContact CG-CD2 4.27Å; Q251-F253 HydrophobicContact CG-CE2 3.76Å; Q251-F253 HydrophobicContact CG-CZ 3.96Å
254P71.9Confident64.5Low102 Ų102142.7 Ų142.766%0.66275%0.745SS**PPolyproline II helixtrans-64.1146.1176.525.9-32.2000109.9V252 I256V252-P254 WeakPolarHBondContact O-CD 3.34Å; P254-I256 PolarHBondContact O-N 3.34Å
255P65.9Low66.1Low101 Ų101137.3 Ų137.366%0.65673%0.733SS**PPolyproline II helixtrans-58.9130.5-179.622.2-31.3000111.1F257P255-F257 HydrophobicContact CG-CE2 4.23Å; P255-F257 HydrophobicContact CG-CZ 4.33Å; P255-F257 WeakPolarHBondContact O-CD2 3.41Å; P255-F257 PolarHBondContact O-N 3.2Å
256I76.6Confident67.4Low167 Ų167142 Ų14286%0.85674%0.738SS**  trans-79.1102.9177.9-56.6169.8000107.8P254P254-I256 PolarHBondContact O-N 3.34Å
257F76.6Confident69Low172 Ų172142.5 Ų142.575%0.75474%0.741SS**  trans-71.3131.7170.6-65.1-82000109.3P255 I259P255-F257 HydrophobicContact CG-CE2 4.23Å; P255-F257 HydrophobicContact CG-CZ 4.33Å; P255-F257 WeakPolarHBondContact O-CD2 3.41Å; P255-F257 PolarHBondContact O-N 3.2Å; F257-I259 PolarHBondContact O-N 3.49Å; F257-I259 VanDerWaalsContact O-N 3.09Å
258R74.3Confident70.3Confident242 Ų242139.6 Ų139.691%0.91373%0.725SS**  trans-67.2111.9169.4-65.9-170.7-164.4-1765.3107.3
259I76.9Confident71.9Confident150 Ų150132 Ų13277%0.76970%0.703SS**PPolyproline II helixtrans-63123.9172.6-59164.1000106F257F257-I259 PolarHBondContact O-N 3.49Å; F257-I259 VanDerWaalsContact O-N 3.09Å
260P74Confident73.2Confident108 Ų108127.1 Ų127.170%0.70168%0.684SS**PPolyproline II helixtrans-58.3150.6175.124.6-32.2000109.7L262P260-L262 PolarHBondContact O-N 3.09Å
261S77.8Confident74.3Confident115 Ų115128.7 Ų128.780%0.80468%0.681SS**PPolyproline II helixtrans-56.6138.6175.449.40000109.9
262L80.3Confident75.4Confident150 Ų150127.1 Ų127.179%0.78567%0.673SS**PPolyproline II helixtrans-56.7147.7175.6-81.574000109.8P260P260-L262 PolarHBondContact O-N 3.09Å
263P79.5Confident76.8Confident105 Ų105127.8 Ų127.868%0.68267%0.668SS**PPolyproline II helixtrans-56.6144.4171.925.3-33.2000110.1L265P263-L265 PolarHBondContact O-N 3.49Å
264A80.4Confident77.4Confident55 Ų55127.3 Ų127.346%0.45567%0.666SS.*PPolyproline II helixtrans-65.5119.5179.900000109.6E266 L267A264-E266 PolarHBondContact O-N 2.85Å; A264-E266 VanDerWaalsContact O-N 3.16Å; A264-L267 HydrophobicContact CB-CD1 4.11Å; A264-L267 HydrophobicContact CB-CG 4.21Å; A264-L267 WeakPolarHBondContact O-CB 3.47Å; A264-L267 PolarHBondContact O-N 2.86Å
265L75.5Confident77.9Confident112 Ų112123.5 Ų123.559%0.58664%0.644SS**G310 helixtrans-57.8-28.9-177.6-172.267.2000112.5P263 L267 I268 L270P263-L265 PolarHBondContact O-N 3.49Å; L265-L267 PolarHBondContact O-N 3.39Å; L265-I268 HydrophobicContact CD1-CD1 4.5Å; L265-I268 PolarHBondContact O-N 3.5Å; L265-L270 HydrophobicContact CD1-CD1 4.35Å; L265-L270 HydrophobicContact CD1-CD2 3.61Å; L265-L270 HydrophobicContact CD2-CD1 4.43Å; L265-L270 HydrophobicContact CG-CD1 4.2Å; L265-L270 HydrophobicContact CG-CD2 4.24Å
266E78.2Confident78.7Confident190 Ų190120.8 Ų120.889%0.88863%0.627SS**G310 helixtrans-63.7-18.2177.3-60.1177.8-177.800114.1A264A264-E266 PolarHBondContact O-N 2.85Å; A264-E266 VanDerWaalsContact O-N 3.16Å
267L83.7Confident79.2Confident154 Ų154118.6 Ų118.681%0.80661%0.613SS**G310 helixtrans-89.4-8.8179.5-61.6175.4000112.9A264 L265A264-L267 HydrophobicContact CB-CD1 4.11Å; A264-L267 HydrophobicContact CB-CG 4.21Å; A264-L267 WeakPolarHBondContact O-CB 3.47Å; A264-L267 PolarHBondContact O-N 2.86Å; L265-L267 PolarHBondContact O-N 3.39Å
268I79.8Confident79.6Confident69 Ų69113.8 Ų113.835%0.35460%0.601SS.*SBendtrans-99.2123.8-179.4-57170.2000106.6L265 L270 E273L265-I268 HydrophobicContact CD1-CD1 4.5Å; L265-I268 PolarHBondContact O-N 3.5Å; I268-L270 VanDerWaalsContact C-N 3.31Å; I268-L270 HydrophobicContact CB-CD2 4.11Å; I268-L270 HydrophobicContact CG2-CD2 3.93Å; I268-L270 PolarHBondContact O-N 2.98Å; I268-E273 HydrophobicContact CG2-CG 3.97Å
269D78.5Confident80Confident93 Ų93105.2 Ų105.250%0.49757%0.571SS.*  trans-71.194.6169.5-165.2-22.9000107.9D271 E272 E273D269-D271 PolarHBondContact O-N 3.31Å; D269-D271 PolarHBondContact OD1-N 3.41Å; D269-E272 HydrophobicContact CB-CB 4.11Å; D269-E272 PolarHBondContact O-N 2.75Å; D269-E272 PolarHBondContact OD1-N 3.46Å; D269-E273 PolarHBondContact O-N 3.12Å; D269-E273 VanDerWaalsContact O-N 3.11Å
270L79.9Confident80.4Confident61 Ų61103 Ų10332%0.31955%0.553SS.*Hα-helixtrans-65.2-29.3-176.5-58.8179.5000111.1L265 I268 E273 F274L265-L270 HydrophobicContact CD1-CD1 4.35Å; L265-L270 HydrophobicContact CD1-CD2 3.61Å; L265-L270 HydrophobicContact CD2-CD1 4.43Å; L265-L270 HydrophobicContact CG-CD1 4.2Å; L265-L270 HydrophobicContact CG-CD2 4.24Å; I268-L270 VanDerWaalsContact C-N 3.31Å; I268-L270 HydrophobicContact CB-CD2 4.11Å; I268-L270 HydrophobicContact CG2-CD2 3.93Å; I268-L270 PolarHBondContact O-N 2.98Å; L270-E273 PolarHBondContact O-N 3.44Å; L270-F274 HydrophobicContact CB-CD2 3.94Å; L270-F274 HydrophobicContact CB-CE2 4.15Å; L270-F274 HydrophobicContact CD2-CE2 3.9Å; L270-F274 HydrophobicContact CG-CE2 4.48Å; L270-F274 VanDerWaalsContact O-CB 3.3Å; L270-F274 WeakPolarHBondContact O-CB 3.47Å; L270-F274 WeakPolarHBondContact O-CD2 3.21Å; L270-F274 PolarHBondContact O-N 3.32Å
271D76Confident81.1Confident120 Ų120100.1 Ų100.164%0.64253%0.532SS*.Hα-helixtrans-68.4-40.4178.5-62-19.3000109.5D269 A275D269-D271 PolarHBondContact O-N 3.31Å; D269-D271 PolarHBondContact OD1-N 3.41Å; D271-A275 WeakPolarHBondContact O-CB 3.46Å; D271-A275 PolarHBondContact O-N 3.23Å
272E78Confident81.5Confident124 Ų12496.9 Ų96.958%0.57951%0.512SS*.Hα-helixtrans-68.8-40.4175.9-171.1171.6-169.600112.8D269D269-E272 HydrophobicContact CB-CB 4.11Å; D269-E272 PolarHBondContact O-N 2.75Å; D269-E272 PolarHBondContact OD1-N 3.46Å
273E80.2Confident81.8Confident135 Ų13594.4 Ų94.463%0.63150%0.499SS*.Hα-helixtrans-79.1-27.3-177.7-72.2-67.2-165.100114.2I268 D269 L270I268-E273 HydrophobicContact CG2-CG 3.97Å; D269-E273 PolarHBondContact O-N 3.12Å; D269-E273 VanDerWaalsContact O-N 3.11Å; L270-E273 PolarHBondContact O-N 3.44Å
274F81.7Confident82.1Confident148 Ų14890.3 Ų90.365%0.64947%0.47SS*.Hα-helixtrans-98.4-5.2176.5-66.3-63.4000114.1L270 S276L270-F274 HydrophobicContact CB-CD2 3.94Å; L270-F274 HydrophobicContact CB-CE2 4.15Å; L270-F274 HydrophobicContact CD2-CE2 3.9Å; L270-F274 HydrophobicContact CG-CE2 4.48Å; L270-F274 VanDerWaalsContact O-CB 3.3Å; L270-F274 WeakPolarHBondContact O-CB 3.47Å; L270-F274 WeakPolarHBondContact O-CD2 3.21Å; L270-F274 PolarHBondContact O-N 3.32Å; F274-S276 PolarHBondContact O-N 2.93Å
275A81.5Confident82.4Confident23 Ų2390.2 Ų90.219%0.1947%0.47CS..  trans-52.5135.5176.600000111.4D271 E279 R280D271-A275 WeakPolarHBondContact O-CB 3.46Å; D271-A275 PolarHBondContact O-N 3.23Å; A275-E279 HydrophobicContact CB-CB 4.44Å; A275-R280 HydrophobicContact CB-CG 3.7Å
276S84.5Confident82.8Confident44 Ų4495.3 Ų95.331%0.30848%0.482SS..  trans-59.9155.1175.265.40000111.3F274 S278 E279 R280F274-S276 PolarHBondContact O-N 2.93Å; S276-S278 PolarHBondContact O-N 3.03Å; S276-S278 VanDerWaalsContact O-N 3.12Å; S276-E279 PolarHBondContact N-OE2 3.02Å; S276-E279 PolarHBondContact O-N 3.47Å; S276-E279 VanDerWaalsContact O-N 3.13Å; S276-E279 WeakPolarHBondContact OG-CG 3.43Å; S276-E279 PolarHBondContact OG-N 3.34Å; S276-E279 PolarHBondContact OG-OE2 3.44Å; S276-R280 WeakPolarHBondContact O-CG 3.48Å; S276-R280 PolarHBondContact O-N 2.96Å
277E86.1Confident83.2Confident121 Ų12193.3 Ų93.357%0.56547%0.47SS*.Hα-helixtrans-53.6-35.8175-66.5177.1-179.800111.6L281 I303E277-L281 WeakPolarHBondContact O-CG 3.26Å; E277-L281 PolarHBondContact O-N 3.17Å; E277-I303 HydrophobicContact CB-CG2 4.48Å
278S85.5Confident83.2Confident71 Ų7187.7 Ų87.750%0.49744%0.439SS..Hα-helixtrans-62.8-48.7177.1-173.90000112.8S276 L281 A282S276-S278 PolarHBondContact O-N 3.03Å; S276-S278 VanDerWaalsContact O-N 3.12Å; S278-L281 WeakPolarHBondContact O-CB 3.49Å; S278-L281 PolarHBondContact O-N 3.39Å; S278-A282 PolarHBondContact O-N 3.25Å
279E82.9Confident83.4Confident62 Ų6289.1 Ų89.129%0.2945%0.451SS..Hα-helixtrans-71.1-36.5179.9-75.3160.8147.900112.1A275 S276 L281 A282 L283A275-E279 HydrophobicContact CB-CB 4.44Å; S276-E279 PolarHBondContact N-OE2 3.02Å; S276-E279 PolarHBondContact O-N 3.47Å; S276-E279 VanDerWaalsContact O-N 3.13Å; S276-E279 WeakPolarHBondContact OG-CG 3.43Å; S276-E279 PolarHBondContact OG-N 3.34Å; S276-E279 PolarHBondContact OG-OE2 3.44Å; E279-L281 VanDerWaalsContact C-N 3.28Å; E279-L281 PolarHBondContact O-N 3.4Å; E279-A282 CarbonylContact O-C 3.52Å; E279-A282 PolarHBondContact O-N 3.34Å; E279-A282 VanDerWaalsContact O-N 3.15Å; E279-L283 WeakPolarHBondContact O-CB 3.29Å; E279-L283 PolarHBondContact O-N 3.09Å
280R85.8Confident83.6Confident104 Ų10493.3 Ų93.339%0.39247%0.468SS..Hα-helixtrans-59.7-42.3173.1-68.3-179.769.2-173.43.7110.9A275 S276 E284 I303A275-R280 HydrophobicContact CB-CG 3.7Å; S276-R280 WeakPolarHBondContact O-CG 3.48Å; S276-R280 PolarHBondContact O-N 2.96Å; R280-E284 WeakPolarHBondContact O-CB 3.44Å; R280-E284 PolarHBondContact O-N 3.08Å; R280-I303 HydrophobicContact CB-CD1 4.02Å; R280-I303 HydrophobicContact CB-CG1 4.39Å; R280-I303 HydrophobicContact CB-CG2 3.92Å
281L87.8Confident83.7Confident47 Ų4798 Ų9825%0.24649%0.493CS..Hα-helixtrans-64.3-43.1173.2-70.5171.5000112E277 S278 E279 E284 A285 C300 I303 L304E277-L281 WeakPolarHBondContact O-CG 3.26Å; E277-L281 PolarHBondContact O-N 3.17Å; S278-L281 WeakPolarHBondContact O-CB 3.49Å; S278-L281 PolarHBondContact O-N 3.39Å; E279-L281 VanDerWaalsContact C-N 3.28Å; E279-L281 PolarHBondContact O-N 3.4Å; L281-E284 PolarHBondContact O-N 3.18Å; L281-A285 WeakPolarHBondContact O-CB 3.44Å; L281-A285 PolarHBondContact O-N 3.39Å; L281-C300 HydrophobicContact CD2-CB 3.58Å; L281-C300 WeakPolarHBondContact CD2-SG 3.41Å; L281-I303 HydrophobicContact CD2-CB 4.46Å; L281-I303 HydrophobicContact CD2-CD1 4.26Å; L281-I303 HydrophobicContact CD2-CG2 4.44Å; L281-I303 HydrophobicContact CG-CG2 4.34Å; L281-L304 HydrophobicContact CD1-CD1 4.41Å; L281-L304 HydrophobicContact CD1-CD2 4.18Å; L281-L304 HydrophobicContact CD1-CG 4.39Å
282A86.1Confident84.3Confident47 Ų4797.1 Ų97.139%0.38849%0.485SS..Hα-helixtrans-65.3-37.5178.300000112.8S278 E279 A285 R286S278-A282 PolarHBondContact O-N 3.25Å; E279-A282 CarbonylContact O-C 3.52Å; E279-A282 PolarHBondContact O-N 3.34Å; E279-A282 VanDerWaalsContact O-N 3.15Å; A282-A285 PolarHBondContact O-N 3.28Å; A282-R286 WeakPolarHBondContact O-CG 3.21Å; A282-R286 PolarHBondContact O-N 3.39Å
283L85.8Confident84.7Confident98 Ų9895.4 Ų95.451%0.51348%0.48SS..Hα-helixtrans-66.3-46175.9-178.465.1000110.7E279 A285 R286 K287E279-L283 WeakPolarHBondContact O-CB 3.29Å; E279-L283 PolarHBondContact O-N 3.09Å; L283-A285 VanDerWaalsContact C-N 3.27Å; L283-A285 PolarHBondContact O-N 3.14Å; L283-R286 WeakPolarHBondContact O-CB 3.46Å; L283-R286 PolarHBondContact O-N 3.34Å; L283-R286 VanDerWaalsContact O-N 3.11Å; L283-K287 PolarHBondContact O-N 3.47Å; L283-K287 VanDerWaalsContact O-N 3.07Å
284E87.3Confident85.1Confident18 Ų1894.3 Ų94.38%0.08448%0.478CS..Hα-helixtrans-65.5-34.2178.2-15865.7171.100111.2R280 L281 R286 K287 H288 F296 K299 I303R280-E284 WeakPolarHBondContact O-CB 3.44Å; R280-E284 PolarHBondContact O-N 3.08Å; L281-E284 PolarHBondContact O-N 3.18Å; E284-R286 VanDerWaalsContact C-N 3.29Å; E284-R286 PolarHBondContact O-N 3.1Å; E284-K287 PolarHBondContact O-N 3.34Å; E284-K287 WeakPolarHBondContact OE2-CD 3.24Å; E284-K287 IonicContact OE2-NZ 3.52Å; E284-H288 PolarHBondContact O-CD2 2.88Å; E284-H288 PolarHBondContact O-N 3.31Å; E284-H288 VanDerWaalsContact O-N 3.15Å; E284-H288 IonicContact OE1-CD2 3.32Å; E284-H288 IonicContact OE1-NE2 2.72Å; E284-H288 PolarHBondContact OE1-NE2 2.87Å; E284-F296 HydrophobicContact CB-CD2 4.4Å; E284-F296 HydrophobicContact CB-CE2 4.2Å; E284-F296 HydrophobicContact CG-CD2 4.04Å; E284-F296 HydrophobicContact CG-CE2 4.32Å; E284-K299 HydrophobicContact CG-CB 3.79Å; E284-K299 VanDerWaalsContact OE1-CB 3.3Å; E284-K299 WeakPolarHBondContact OE1-CB 3.3Å; E284-K299 WeakPolarHBondContact OE1-CD 3.36Å; E284-K299 WeakPolarHBondContact OE1-CG 3.36Å; E284-I303 HydrophobicContact CB-CD1 4.45Å
285A86.2Confident85.4Confident54 Ų5489.5 Ų89.545%0.44647%0.466SS..Hα-helixtrans-65.7-30174.200000112.9L281 A282 L283 F296L281-A285 WeakPolarHBondContact O-CB 3.44Å; L281-A285 PolarHBondContact O-N 3.39Å; A282-A285 PolarHBondContact O-N 3.28Å; L283-A285 VanDerWaalsContact C-N 3.27Å; L283-A285 PolarHBondContact O-N 3.14Å; A285-F296 VanDerWaalsContact CA-CE2 3.48Å; A285-F296 HydrophobicContact CB-CE2 3.89Å; A285-F296 HydrophobicContact CB-CZ 4Å
286R84.1Confident85.8Confident219 Ų21990.9 Ų90.983%0.82647%0.467SS*.Hα-helixtrans-77.9-30.6174.1-71175.1-176.7-179.34.3112.8A282 L283 E284A282-R286 WeakPolarHBondContact O-CG 3.21Å; A282-R286 PolarHBondContact O-N 3.39Å; L283-R286 WeakPolarHBondContact O-CB 3.46Å; L283-R286 PolarHBondContact O-N 3.34Å; L283-R286 VanDerWaalsContact O-N 3.11Å; E284-R286 VanDerWaalsContact C-N 3.29Å; E284-R286 PolarHBondContact O-N 3.1Å
287K85.6Confident86.1Confident147 Ų14789.8 Ų89.864%0.63946%0.458SS*.Hα-helixtrans-77.9-36.1-174.8-175.1-179.2175.6-173.60112.5L283 E284L283-K287 PolarHBondContact O-N 3.47Å; L283-K287 VanDerWaalsContact O-N 3.07Å; E284-K287 PolarHBondContact O-N 3.34Å; E284-K287 WeakPolarHBondContact OE2-CD 3.24Å; E284-K287 IonicContact OE2-NZ 3.52Å
288H83.8Confident86.2Confident37 Ų3786.6 Ų86.617%0.17144%0.444CS..  trans-94143.1-177.8-71.4-75.9000112.5E284 Q292 F296E284-H288 PolarHBondContact O-CD2 2.88Å; E284-H288 PolarHBondContact O-N 3.31Å; E284-H288 VanDerWaalsContact O-N 3.15Å; E284-H288 IonicContact OE1-CD2 3.32Å; E284-H288 IonicContact OE1-NE2 2.72Å; E284-H288 PolarHBondContact OE1-NE2 2.87Å; H288-Q292 PolarHBondContact ND1-OE1 3.49Å; H288-F296 HydrophobicContact CB-CB 4.03Å; H288-F296 HydrophobicContact CB-CD2 4.26Å; H288-F296 HydrophobicContact CB-CG 4.45Å
289T84.2Confident86.4Confident98 Ų9887.4 Ų87.460%0.60144%0.438SS*.  trans-97164.2171.4-45.80000109.8D291 Q292T289-D291 PolarHBondContact O-N 2.91Å; T289-D291 VanDerWaalsContact O-N 3.09Å; T289-Q292 PolarHBondContact O-N 3.42Å
290E82.1Confident86.8Confident182 Ų18285.3 Ų85.385%0.8543%0.431SS*.G310 helixtrans-51.7-33.1-179.3-63.9-179.3-18000113.6Q292 L293E290-Q292 PolarHBondContact O-N 2.98Å; E290-L293 PolarHBondContact O-N 2.99Å
291D83.4Confident87Confident158 Ų15880.4 Ų80.485%0.84541%0.412SS*.G310 helixtrans-65.9-19.5178.1-62.1-34.6000114T289T289-D291 PolarHBondContact O-N 2.91Å; T289-D291 VanDerWaalsContact O-N 3.09Å
292Q87.4Confident87Confident103 Ų10383.4 Ų83.448%0.48143%0.425SS..G310 helixtrans-106.524.2-177.4-63.8-175.4-12.100112.8H288 T289 E290 D294 A295 F296H288-Q292 PolarHBondContact ND1-OE1 3.49Å; T289-Q292 PolarHBondContact O-N 3.42Å; E290-Q292 PolarHBondContact O-N 2.98Å; Q292-D294 VanDerWaalsContact C-N 3.27Å; Q292-D294 PolarHBondContact O-N 3.42Å; Q292-A295 PolarHBondContact O-N 3.32Å; Q292-F296 PolarHBondContact O-N 3.01Å
293L86.3Confident87.1Confident88 Ų8882.3 Ų82.346%0.46141%0.412SS..Hα-helixtrans-52.3-41.3-175.3-17663.4000113.6E290 A295 F296 I297E290-L293 PolarHBondContact O-N 2.99Å; L293-A295 PolarHBondContact O-N 2.81Å; L293-F296 HydrophobicContact CD1-CD1 4.34Å; L293-F296 WeakPolarHBondContact O-CB 3.47Å; L293-F296 PolarHBondContact O-N 3.25Å; L293-I297 HydrophobicContact CD1-CD1 4.17Å; L293-I297 HydrophobicContact CD1-CG1 4.36Å; L293-I297 HydrophobicContact CG-CD1 3.89Å; L293-I297 HydrophobicContact CG-CG1 4.49Å; L293-I297 VanDerWaalsContact O-CG1 3.31Å; L293-I297 WeakPolarHBondContact O-CG1 3.16Å; L293-I297 PolarHBondContact O-N 2.88Å
294D88.8Confident87.2Confident111 Ų11181 Ų8159%0.59441%0.405SS*.Hα-helixtrans-63.3-40.2179.6-75.8-23.4000112.5Q292 M298 P317Q292-D294 VanDerWaalsContact C-N 3.27Å; Q292-D294 PolarHBondContact O-N 3.42Å; D294-M298 WeakPolarHBondContact O-CG 3.26Å; D294-M298 PolarHBondContact O-N 2.83Å; D294-P317 HydrophobicContact CB-CG 3.85Å
295A87.8Confident87.1Confident47 Ų4782 Ų8239%0.38842%0.417SS..Hα-helixtrans-69.9-40.5177.600000111.1Q292 L293 M298 K299Q292-A295 PolarHBondContact O-N 3.32Å; L293-A295 PolarHBondContact O-N 2.81Å; A295-M298 PolarHBondContact O-N 2.92Å; A295-K299 WeakPolarHBondContact O-CG 3.49Å; A295-K299 PolarHBondContact O-N 3.39Å
296F90.2Very high87Confident52 Ų5280 Ų8023%0.22840%0.399CS..Hα-helixtrans-59-49.6175.2173.3-109.5000111.5E284 A285 H288 Q292 L293 M298 K299 C300E284-F296 HydrophobicContact CB-CD2 4.4Å; E284-F296 HydrophobicContact CB-CE2 4.2Å; E284-F296 HydrophobicContact CG-CD2 4.04Å; E284-F296 HydrophobicContact CG-CE2 4.32Å; A285-F296 VanDerWaalsContact CA-CE2 3.48Å; A285-F296 HydrophobicContact CB-CE2 3.89Å; A285-F296 HydrophobicContact CB-CZ 4Å; H288-F296 HydrophobicContact CB-CB 4.03Å; H288-F296 HydrophobicContact CB-CD2 4.26Å; H288-F296 HydrophobicContact CB-CG 4.45Å; Q292-F296 PolarHBondContact O-N 3.01Å; L293-F296 HydrophobicContact CD1-CD1 4.34Å; L293-F296 WeakPolarHBondContact O-CB 3.47Å; L293-F296 PolarHBondContact O-N 3.25Å; F296-M298 VanDerWaalsContact C-N 3.3Å; F296-M298 PolarHBondContact O-N 3.5Å; F296-K299 PolarHBondContact O-N 2.98Å; F296-K299 VanDerWaalsContact O-N 3.12Å; F296-C300 WeakPolarHBondContact CE2-SG 3.46Å; F296-C300 WeakPolarHBondContact CZ-SG 3.34Å; F296-C300 PolarHBondContact O-N 3.14Å; F296-C300 PolarHBondContact O-SG 3.17Å
297I90.4Very high86.8Confident21 Ų2171.3 Ų71.311%0.10837%0.37CS..Hα-helixtrans-59.6-41.9178.6-67.8164.3000111.2L293 K299 C300 A301 P317 V320 L321L293-I297 HydrophobicContact CD1-CD1 4.17Å; L293-I297 HydrophobicContact CD1-CG1 4.36Å; L293-I297 HydrophobicContact CG-CD1 3.89Å; L293-I297 HydrophobicContact CG-CG1 4.49Å; L293-I297 VanDerWaalsContact O-CG1 3.31Å; L293-I297 WeakPolarHBondContact O-CG1 3.16Å; L293-I297 PolarHBondContact O-N 2.88Å; I297-K299 VanDerWaalsContact C-N 3.34Å; I297-C300 PolarHBondContact O-N 3.44Å; I297-A301 WeakPolarHBondContact O-CB 3.5Å; I297-A301 PolarHBondContact O-N 3.11Å; I297-P317 HydrophobicContact CB-CB 4.23Å; I297-P317 HydrophobicContact CD1-CB 4.2Å; I297-P317 HydrophobicContact CG2-CB 3.99Å; I297-V320 HydrophobicContact CG2-CB 4.11Å; I297-V320 HydrophobicContact CG2-CG1 4.02Å; I297-L321 HydrophobicContact CD1-CD1 4.01Å; I297-L321 HydrophobicContact CD1-CG 4.46Å
298M89.6Confident86.7Confident55 Ų5572.1 Ų72.127%0.27138%0.376SS..Hα-helixtrans-65.7-37.2177.9-72.5-60.2-61.900112.4D294 A295 F296 A301 E302 Q315 P317 V320D294-M298 WeakPolarHBondContact O-CG 3.26Å; D294-M298 PolarHBondContact O-N 2.83Å; A295-M298 PolarHBondContact O-N 2.92Å; F296-M298 VanDerWaalsContact C-N 3.3Å; F296-M298 PolarHBondContact O-N 3.5Å; M298-A301 WeakPolarHBondContact O-CB 3.46Å; M298-A301 PolarHBondContact O-N 3.49Å; M298-E302 PolarHBondContact O-N 3.16Å; M298-Q315 HydrophobicContact CE-CB 4.28Å; M298-P317 HydrophobicContact CG-CG 4.18Å; M298-P317 HydrophobicContact SD-CG 4.44Å; M298-V320 HydrophobicContact SD-CG2 4.26Å
299K89.4Confident86.5Confident87 Ų8776.9 Ų76.938%0.37840%0.398SS..Hα-helixtrans-69.1-41.6175.9-74.8-79.9163.9-1570112.2E284 A295 F296 I297 A301 E302 I303E284-K299 HydrophobicContact CG-CB 3.79Å; E284-K299 VanDerWaalsContact OE1-CB 3.3Å; E284-K299 WeakPolarHBondContact OE1-CB 3.3Å; E284-K299 WeakPolarHBondContact OE1-CD 3.36Å; E284-K299 WeakPolarHBondContact OE1-CG 3.36Å; A295-K299 WeakPolarHBondContact O-CG 3.49Å; A295-K299 PolarHBondContact O-N 3.39Å; F296-K299 PolarHBondContact O-N 2.98Å; F296-K299 VanDerWaalsContact O-N 3.12Å; I297-K299 VanDerWaalsContact C-N 3.34Å; K299-A301 VanDerWaalsContact C-N 3.28Å; K299-A301 PolarHBondContact O-N 2.96Å; K299-E302 IonicContact NZ-OE2 3.9Å; K299-E302 PolarHBondContact NZ-OE2 2.99Å; K299-E302 WeakPolarHBondContact O-CB 3.4Å; K299-E302 PolarHBondContact O-N 2.93Å; K299-I303 WeakPolarHBondContact O-CG1 3.34Å; K299-I303 PolarHBondContact O-N 3.2Å
300C90.2Very high86.2Confident19 Ų1973.4 Ų73.413%0.12838%0.376CS..Hα-helixtrans-60.3-39.2170.8-63.20000112L281 F296 I297 E302 I303 L304L281-C300 HydrophobicContact CD2-CB 3.58Å; L281-C300 WeakPolarHBondContact CD2-SG 3.41Å; F296-C300 WeakPolarHBondContact CE2-SG 3.46Å; F296-C300 WeakPolarHBondContact CZ-SG 3.34Å; F296-C300 PolarHBondContact O-N 3.14Å; F296-C300 PolarHBondContact O-SG 3.17Å; I297-C300 PolarHBondContact O-N 3.44Å; C300-E302 VanDerWaalsContact C-N 3.3Å; C300-E302 PolarHBondContact O-N 3.39Å; C300-I303 PolarHBondContact O-N 3.09Å; C300-L304 WeakPolarHBondContact O-CB 3.4Å; C300-L304 WeakPolarHBondContact O-CG 3.5Å; C300-L304 PolarHBondContact O-N 3.38Å
301A89.9Confident86.1Confident1 Ų172.2 Ų72.21%0.00837%0.368CS..Hα-helixtrans-65.7-33.7176.600000112.8I297 M298 K299 A305 I306 T307 V320I297-A301 WeakPolarHBondContact O-CB 3.5Å; I297-A301 PolarHBondContact O-N 3.11Å; M298-A301 WeakPolarHBondContact O-CB 3.46Å; M298-A301 PolarHBondContact O-N 3.49Å; K299-A301 VanDerWaalsContact C-N 3.28Å; K299-A301 PolarHBondContact O-N 2.96Å; A301-A305 PolarHBondContact O-N 2.85Å; A301-I306 HydrophobicContact CB-CB 4.4Å; A301-I306 PolarHBondContact O-N 3.08Å; A301-T307 HydrophobicContact CB-CG2 3.98Å; A301-V320 HydrophobicContact CB-CB 4.5Å; A301-V320 HydrophobicContact CB-CG1 3.7Å; A301-V320 HydrophobicContact CB-CG2 3.93Å
302E88.3Confident85.5Confident110 Ų11070.8 Ų70.851%0.51437%0.367SS..Hα-helixtrans-69.3-46.1174.1-174.9178.2-167.800111.2M298 K299 C300 L304 A305M298-E302 PolarHBondContact O-N 3.16Å; K299-E302 IonicContact NZ-OE2 3.9Å; K299-E302 PolarHBondContact NZ-OE2 2.99Å; K299-E302 WeakPolarHBondContact O-CB 3.4Å; K299-E302 PolarHBondContact O-N 2.93Å; C300-E302 VanDerWaalsContact C-N 3.3Å; C300-E302 PolarHBondContact O-N 3.39Å; E302-L304 VanDerWaalsContact C-N 3.35Å; E302-L304 PolarHBondContact O-N 3.1Å; E302-A305 PolarHBondContact O-N 3.12Å; E302-A305 VanDerWaalsContact O-N 3.17Å
303I88.2Confident84.9Confident23 Ų2369.3 Ų69.312%0.11838%0.379CS..Hα-helixtrans-60.6-43.6178.1-66.5162.1000111.2E277 R280 L281 E284 K299 C300 A305E277-I303 HydrophobicContact CB-CG2 4.48Å; R280-I303 HydrophobicContact CB-CD1 4.02Å; R280-I303 HydrophobicContact CB-CG1 4.39Å; R280-I303 HydrophobicContact CB-CG2 3.92Å; L281-I303 HydrophobicContact CD2-CB 4.46Å; L281-I303 HydrophobicContact CD2-CD1 4.26Å; L281-I303 HydrophobicContact CD2-CG2 4.44Å; L281-I303 HydrophobicContact CG-CG2 4.34Å; E284-I303 HydrophobicContact CB-CD1 4.45Å; K299-I303 WeakPolarHBondContact O-CG1 3.34Å; K299-I303 PolarHBondContact O-N 3.2Å; C300-I303 PolarHBondContact O-N 3.09Å; I303-A305 VanDerWaalsContact C-N 3.26Å; I303-A305 PolarHBondContact O-N 3.45Å
304L88.2Confident84.2Confident71 Ų7171.3 Ų71.337%0.37238%0.384SS..THydrogen-bonded Turntrans-83.66.5179.9-65.7173.9000114L281 C300 E302 I306L281-L304 HydrophobicContact CD1-CD1 4.41Å; L281-L304 HydrophobicContact CD1-CD2 4.18Å; L281-L304 HydrophobicContact CD1-CG 4.39Å; C300-L304 WeakPolarHBondContact O-CB 3.4Å; C300-L304 WeakPolarHBondContact O-CG 3.5Å; C300-L304 PolarHBondContact O-N 3.38Å; E302-L304 VanDerWaalsContact C-N 3.35Å; E302-L304 PolarHBondContact O-N 3.1Å; L304-I306 HydrophobicContact CB-CD1 3.81Å; L304-I306 HydrophobicContact CB-CG1 3.84Å; L304-I306 HydrophobicContact CD1-CD1 3.91Å; L304-I306 PolarHBondContact O-N 3Å
305A84.7Confident83.6Confident40 Ų4070.6 Ų70.633%0.33138%0.377SS..THydrogen-bonded Turntrans52.524-176.100000115.2A301 E302 I303 T307 E308A301-A305 PolarHBondContact O-N 2.85Å; E302-A305 PolarHBondContact O-N 3.12Å; E302-A305 VanDerWaalsContact O-N 3.17Å; I303-A305 VanDerWaalsContact C-N 3.26Å; I303-A305 PolarHBondContact O-N 3.45Å; A305-T307 PolarHBondContact O-N 3.35Å; A305-E308 PolarHBondContact O-N 3.35Å
306I84.4Confident83.4Confident12 Ų1270.5 Ų70.56%0.06237%0.374CS..Hα-helixtrans-67.7-29179.2-64.2168.6000110.7A301 L304 E308 H309 L310 V320 F323 V324A301-I306 HydrophobicContact CB-CB 4.4Å; A301-I306 PolarHBondContact O-N 3.08Å; L304-I306 HydrophobicContact CB-CD1 3.81Å; L304-I306 HydrophobicContact CB-CG1 3.84Å; L304-I306 HydrophobicContact CD1-CD1 3.91Å; L304-I306 PolarHBondContact O-N 3Å; I306-E308 PolarHBondContact O-N 3.34Å; I306-H309 PolarHBondContact O-N 2.91Å; I306-L310 HydrophobicContact CG2-CD1 4.08Å; I306-L310 HydrophobicContact CG2-CG 4.39Å; I306-L310 PolarHBondContact O-N 3.01Å; I306-V320 HydrophobicContact CG2-CG1 4.49Å; I306-F323 HydrophobicContact CG1-CE1 4.46Å; I306-F323 HydrophobicContact CG2-CD1 3.45Å; I306-F323 VanDerWaalsContact CG2-CD1 3.45Å; I306-F323 HydrophobicContact CG2-CE1 3.76Å; I306-F323 HydrophobicContact CG2-CG 4.28Å; I306-V324 HydrophobicContact CD1-CG2 3.74Å
307T80.6Confident83.2Confident36 Ų3669.1 Ų69.122%0.22137%0.37CS..Hα-helixtrans-58.7-27.4178.850.20000113.2A301 A305A301-T307 HydrophobicContact CB-CG2 3.98Å; A305-T307 PolarHBondContact O-N 3.35Å
308E82.2Confident83.1Confident164 Ų16476.2 Ų76.277%0.76640%0.4SS*.Hα-helixtrans-73.8-29.5176.6-58.7-168.8167.800112.9A305 I306A305-E308 PolarHBondContact O-N 3.35Å; I306-E308 PolarHBondContact O-N 3.34Å
309H79.6Confident82.9Confident137 Ų13775.4 Ų75.463%0.63440%0.397SS*.Hα-helixtrans-83.4-16.8179.7-68.7-67000113.4I306 F323I306-H309 PolarHBondContact O-N 2.91Å; H309-F323 HydrophobicContact CB-CE1 4.47Å; H309-F323 HydrophobicContact CB-CE2 4.24Å; H309-F323 HydrophobicContact CB-CZ 3.82Å
310L79.1Confident82.8Confident25 Ų2571.5 Ų71.513%0.13138%0.38CS..SBendtrans-86.2141.8179.4-68.8168.3000111.1I306 V320 F323I306-L310 HydrophobicContact CG2-CD1 4.08Å; I306-L310 HydrophobicContact CG2-CG 4.39Å; I306-L310 PolarHBondContact O-N 3.01Å; L310-V320 HydrophobicContact CD1-CG2 3.82Å; L310-F323 HydrophobicContact CD2-CB 4.21Å; L310-F323 HydrophobicContact CD2-CD2 4.48Å; L310-F323 HydrophobicContact CD2-CG 4.43Å
311K79.4Confident82.7Confident157 Ų15774.3 Ų74.368%0.68339%0.394SS*.  trans-62.8137177-67.1176.5-177.31730110.6G313 F314K311-G313 PolarHBondContact O-N 3.29Å; K311-F314 HydrophobicContact CB-CD2 4.2Å; K311-F314 PolarHBondContact O-N 3.23Å
312P71.7Confident82.5Confident128 Ų12879.8 Ų79.883%0.83142%0.419SS*.THydrogen-bonded Turntrans-63.4106.2178.826.1-33.4000109.4
313G74.3Confident82.4Confident71 Ų7177 Ų7773%0.73241%0.405SS*.THydrogen-bonded Turntrans130.8-21-174.300000114.5K311K311-G313 PolarHBondContact O-N 3.29Å
314F70.7Confident82.3Confident130 Ų13078.2 Ų78.257%0.5741%0.414SS*.  trans-108.328.8177.7-71.1-81.3000112.8K311 S316 N319K311-F314 HydrophobicContact CB-CD2 4.2Å; K311-F314 PolarHBondContact O-N 3.23Å; F314-S316 PolarHBondContact O-N 2.73Å; F314-N319 WeakPolarHBondContact CB-ND2 3.33Å; F314-N319 WeakPolarHBondContact O-CB 3.42Å; F314-N319 PolarHBondContact O-ND2 3.46Å
315Q77Confident82.2Confident97 Ų9777.7 Ų77.745%0.45342%0.416SS..  trans-8451.8179-66.7178.2-15.400112M298M298-Q315 HydrophobicContact CE-CB 4.28Å
316S84.4Confident82.2Confident44 Ų4480 Ų8031%0.30842%0.423SS..  trans-94.1150.417175.70000110.2F314 K318 N319 V320F314-S316 PolarHBondContact O-N 2.73Å; S316-K318 PolarHBondContact O-N 3.39Å; S316-K318 VanDerWaalsContact O-N 3.12Å; S316-N319 PolarHBondContact O-N 3.07Å; S316-N319 PolarHBondContact OG-ND2 3.18Å; S316-N319 VanDerWaalsContact OG-ND2 3.08Å; S316-N319 PolarHBondContact OG-OD1 3.31Å; S316-V320 PolarHBondContact O-N 2.87Å; S316-V320 VanDerWaalsContact O-N 3.17Å
317P85.4Confident82.2Confident24 Ų2484.2 Ų84.216%0.15644%0.442CS..Hα-helixtrans-52.4-35.8178.2-27.733.9000113.5D294 I297 M298 N319 V320 L321D294-P317 HydrophobicContact CB-CG 3.85Å; I297-P317 HydrophobicContact CB-CB 4.23Å; I297-P317 HydrophobicContact CD1-CB 4.2Å; I297-P317 HydrophobicContact CG2-CB 3.99Å; M298-P317 HydrophobicContact CG-CG 4.18Å; M298-P317 HydrophobicContact SD-CG 4.44Å; P317-N319 PolarHBondContact O-N 3.15Å; P317-V320 WeakPolarHBondContact O-CB 3.46Å; P317-V320 PolarHBondContact O-N 3.39Å; P317-L321 WeakPolarHBondContact O-CG 3.42Å; P317-L321 PolarHBondContact O-N 3.49Å; P317-L321 VanDerWaalsContact O-N 3.09Å
318K87.5Confident82.4Confident169 Ų16986.7 Ų86.774%0.73546%0.457SS*.Hα-helixtrans-64.7-39.3177.5-65.9-174.2178.4-177.40112.8S316 L321 E322S316-K318 PolarHBondContact O-N 3.39Å; S316-K318 VanDerWaalsContact O-N 3.12Å; K318-L321 PolarHBondContact O-N 3.44Å; K318-E322 PolarHBondContact O-N 3.01Å
319N86.4Confident82.4Confident38 Ų3883.9 Ų83.920%0.20345%0.445CS..Hα-helixtrans-73.7-32.3-179.8-60.5-12.9000111.4F314 S316 P317 E322 F323F314-N319 WeakPolarHBondContact CB-ND2 3.33Å; F314-N319 WeakPolarHBondContact O-CB 3.42Å; F314-N319 PolarHBondContact O-ND2 3.46Å; S316-N319 PolarHBondContact O-N 3.07Å; S316-N319 PolarHBondContact OG-ND2 3.18Å; S316-N319 VanDerWaalsContact OG-ND2 3.08Å; S316-N319 PolarHBondContact OG-OD1 3.31Å; P317-N319 PolarHBondContact O-N 3.15Å; N319-E322 PolarHBondContact O-N 3.48Å; N319-F323 WeakPolarHBondContact O-CB 3.38Å; N319-F323 PolarHBondContact O-N 3.39Å
320V87Confident82.3Confident5 Ų582.1 Ų82.13%0.0344%0.437CS..Hα-helixtrans-60.7-50170.7175.50000109.7I297 M298 A301 I306 L310 S316 P317 E322 F323 V324I297-V320 HydrophobicContact CG2-CB 4.11Å; I297-V320 HydrophobicContact CG2-CG1 4.02Å; M298-V320 HydrophobicContact SD-CG2 4.26Å; A301-V320 HydrophobicContact CB-CB 4.5Å; A301-V320 HydrophobicContact CB-CG1 3.7Å; A301-V320 HydrophobicContact CB-CG2 3.93Å; I306-V320 HydrophobicContact CG2-CG1 4.49Å; L310-V320 HydrophobicContact CD1-CG2 3.82Å; S316-V320 PolarHBondContact O-N 2.87Å; S316-V320 VanDerWaalsContact O-N 3.17Å; P317-V320 WeakPolarHBondContact O-CB 3.46Å; P317-V320 PolarHBondContact O-N 3.39Å; V320-E322 PolarHBondContact O-N 3.24Å; V320-F323 WeakPolarHBondContact O-CB 3.44Å; V320-F323 PolarHBondContact O-N 2.92Å; V320-V324 WeakPolarHBondContact O-CG2 3.34Å; V320-V324 PolarHBondContact O-N 3.38Å
321L87.3Confident82.3Confident79 Ų7987.1 Ų87.141%0.41446%0.458SS..Hα-helixtrans-62.6-40.5178.5-71.9173.5000112.5I297 P317 K318 F323 V324 C325I297-L321 HydrophobicContact CD1-CD1 4.01Å; I297-L321 HydrophobicContact CD1-CG 4.46Å; P317-L321 WeakPolarHBondContact O-CG 3.42Å; P317-L321 PolarHBondContact O-N 3.49Å; P317-L321 VanDerWaalsContact O-N 3.09Å; K318-L321 PolarHBondContact O-N 3.44Å; L321-F323 VanDerWaalsContact C-N 3.31Å; L321-F323 PolarHBondContact O-N 3.2Å; L321-V324 PolarHBondContact O-N 2.94Å; L321-C325 WeakPolarHBondContact O-CB 3.48Å; L321-C325 PolarHBondContact O-N 3.19Å; L321-C325 PolarHBondContact O-SG 3.05Å
322E85.9Confident82.2Confident115 Ų11585 Ų8554%0.53745%0.449SS..Hα-helixtrans-59.2-44.1174.7-174.7-177177.800111.2K318 N319 V320 C325 N326K318-E322 PolarHBondContact O-N 3.01Å; N319-E322 PolarHBondContact O-N 3.48Å; V320-E322 PolarHBondContact O-N 3.24Å; E322-C325 PolarHBondContact O-N 3.03Å; E322-N326 WeakPolarHBondContact O-CB 3.44Å; E322-N326 PolarHBondContact O-N 3.2Å; E322-N326 PolarHBondContact O-ND2 3.01Å
323F86Confident82.4Confident51 Ų5184.3 Ų84.322%0.22443%0.433CS..Hα-helixtrans-62.7-47.6177.6-178.7-97.5000112.2I306 H309 L310 N319 V320 L321 C325 N326 Q327I306-F323 HydrophobicContact CG1-CE1 4.46Å; I306-F323 HydrophobicContact CG2-CD1 3.45Å; I306-F323 VanDerWaalsContact CG2-CD1 3.45Å; I306-F323 HydrophobicContact CG2-CE1 3.76Å; I306-F323 HydrophobicContact CG2-CG 4.28Å; H309-F323 HydrophobicContact CB-CE1 4.47Å; H309-F323 HydrophobicContact CB-CE2 4.24Å; H309-F323 HydrophobicContact CB-CZ 3.82Å; L310-F323 HydrophobicContact CD2-CB 4.21Å; L310-F323 HydrophobicContact CD2-CD2 4.48Å; L310-F323 HydrophobicContact CD2-CG 4.43Å; N319-F323 WeakPolarHBondContact O-CB 3.38Å; N319-F323 PolarHBondContact O-N 3.39Å; V320-F323 WeakPolarHBondContact O-CB 3.44Å; V320-F323 PolarHBondContact O-N 2.92Å; L321-F323 VanDerWaalsContact C-N 3.31Å; L321-F323 PolarHBondContact O-N 3.2Å; F323-C325 PolarHBondContact O-N 3.04Å; F323-N326 PolarHBondContact O-N 3.39Å; F323-Q327 HydrophobicContact CD1-CG 4.46Å; F323-Q327 VanDerWaalsContact CE1-CD 3.45Å; F323-Q327 HydrophobicContact CE1-CG 4.15Å; F323-Q327 HydrophobicContact CZ-CG 4.34Å; F323-Q327 PolarHBondContact O-N 3.22Å
324V86.7Confident82.3Confident50 Ų5087.1 Ų87.130%0.30343%0.43SS..Hα-helixtrans-61.4-45.4177174.50000110.9I306 V320 L321 N326 Q327 V328I306-V324 HydrophobicContact CD1-CG2 3.74Å; V320-V324 WeakPolarHBondContact O-CG2 3.34Å; V320-V324 PolarHBondContact O-N 3.38Å; L321-V324 PolarHBondContact O-N 2.94Å; V324-N326 VanDerWaalsContact C-N 3.31Å; V324-N326 PolarHBondContact O-N 3.43Å; V324-Q327 PolarHBondContact O-N 2.57Å; V324-V328 HydrophobicContact CG1-CG2 4.45Å; V324-V328 WeakPolarHBondContact O-CG2 3.33Å; V324-V328 PolarHBondContact O-N 3.13Å
325C85.7Confident82Confident60 Ų6085.7 Ų85.741%0.40543%0.428SS..Hα-helixtrans-59.9-42.1176.7-710000111.6L321 E322 F323 V328 M329L321-C325 WeakPolarHBondContact O-CB 3.48Å; L321-C325 PolarHBondContact O-N 3.19Å; L321-C325 PolarHBondContact O-SG 3.05Å; E322-C325 PolarHBondContact O-N 3.03Å; F323-C325 PolarHBondContact O-N 3.04Å; C325-V328 PolarHBondContact O-N 2.79Å; C325-M329 WeakPolarHBondContact O-CB 3.42Å; C325-M329 WeakPolarHBondContact O-CG 3.1Å; C325-M329 PolarHBondContact O-N 2.85Å
326N85.3Confident81.2Confident89 Ų8987.8 Ų87.848%0.47644%0.438SS..Hα-helixtrans-63.1-41.9176.7-74.9-28.4000111.8E322 F323 V324 M329 E330E322-N326 WeakPolarHBondContact O-CB 3.44Å; E322-N326 PolarHBondContact O-N 3.2Å; E322-N326 PolarHBondContact O-ND2 3.01Å; F323-N326 PolarHBondContact O-N 3.39Å; V324-N326 VanDerWaalsContact C-N 3.31Å; V324-N326 PolarHBondContact O-N 3.43Å; N326-M329 PolarHBondContact O-N 3.36Å; N326-E330 WeakPolarHBondContact O-CG 3.19Å; N326-E330 PolarHBondContact O-N 2.82Å
327Q84.1Confident79.3Confident100 Ų10094 Ų9447%0.46746%0.46SS..Hα-helixtrans-63.2-44.8175.2-72.9-172-21.100112.5F323 V324 M329 E330 F331F323-Q327 HydrophobicContact CD1-CG 4.46Å; F323-Q327 VanDerWaalsContact CE1-CD 3.45Å; F323-Q327 HydrophobicContact CE1-CG 4.15Å; F323-Q327 HydrophobicContact CZ-CG 4.34Å; F323-Q327 PolarHBondContact O-N 3.22Å; V324-Q327 PolarHBondContact O-N 2.57Å; Q327-M329 VanDerWaalsContact C-N 3.29Å; Q327-M329 PolarHBondContact O-N 3.03Å; Q327-E330 PolarHBondContact O-N 3.21Å; Q327-F331 WeakPolarHBondContact O-CB 3.06Å; Q327-F331 PolarHBondContact O-N 3.4Å
328V83.9Confident77.3Confident88 Ų8899.8 Ų99.853%0.53349%0.49SS..Hα-helixtrans-61.8-39.8176.2172.80000110.9V324 C325 F331 K332V324-V328 HydrophobicContact CG1-CG2 4.45Å; V324-V328 WeakPolarHBondContact O-CG2 3.33Å; V324-V328 PolarHBondContact O-N 3.13Å; C325-V328 PolarHBondContact O-N 2.79Å; V328-F331 PolarHBondContact O-N 2.76Å; V328-K332 WeakPolarHBondContact O-CB 3.18Å; V328-K332 PolarHBondContact O-N 3.37Å
329M81.9Confident75.2Confident105 Ų10596.3 Ų96.352%0.51748%0.482SS..Hα-helixtrans-66.2-42.8176.4-74-65.7-68.300112.2C325 N326 Q327 K332 K333C325-M329 WeakPolarHBondContact O-CB 3.42Å; C325-M329 WeakPolarHBondContact O-CG 3.1Å; C325-M329 PolarHBondContact O-N 2.85Å; N326-M329 PolarHBondContact O-N 3.36Å; Q327-M329 VanDerWaalsContact C-N 3.29Å; Q327-M329 PolarHBondContact O-N 3.03Å; M329-K332 PolarHBondContact O-N 2.96Å; M329-K333 WeakPolarHBondContact O-CG 3.32Å; M329-K333 PolarHBondContact O-N 3.34Å
330E79.2Confident73.1Confident100 Ų100104 Ų10447%0.46752%0.517SS..Hα-helixtrans-61.8-45.7173.5-74.6-60130.900111.6N326 Q327 K332 K333 L334N326-E330 WeakPolarHBondContact O-CG 3.19Å; N326-E330 PolarHBondContact O-N 2.82Å; Q327-E330 PolarHBondContact O-N 3.21Å; E330-K332 VanDerWaalsContact C-N 3.31Å; E330-K332 PolarHBondContact O-N 3.33Å; E330-K333 WeakPolarHBondContact O-CB 3.35Å; E330-K333 PolarHBondContact O-N 2.9Å; E330-K333 VanDerWaalsContact O-N 3.13Å; E330-K333 IonicContact OE1-NZ 2.96Å; E330-K333 PolarHBondContact OE1-NZ 3.41Å; E330-L334 PolarHBondContact O-N 2.9Å; E330-L334 VanDerWaalsContact O-N 3.11Å
331F77.7Confident70.9Confident129 Ų129107.2 Ų107.257%0.56654%0.537SS*.Hα-helixtrans-59.7-41.9175.6-176.1-103.6000112Q327 V328 K333 L334 N335Q327-F331 WeakPolarHBondContact O-CB 3.06Å; Q327-F331 PolarHBondContact O-N 3.4Å; V328-F331 PolarHBondContact O-N 2.76Å; F331-K333 VanDerWaalsContact C-N 3.34Å; F331-K333 PolarHBondContact O-N 2.89Å; F331-L334 PolarHBondContact O-N 2.99Å; F331-N335 WeakPolarHBondContact CE1-ND2 3.42Å; F331-N335 WeakPolarHBondContact CZ-ND2 3.41Å; F331-N335 PolarHBondContact O-N 3.38Å; F331-N335 VanDerWaalsContact O-N 3.17Å
332K77Confident69.2Low113 Ų113108.6 Ų108.649%0.49155%0.55SS.*Hα-helixtrans-65.9-33.3175.8-172.5175.7-178.6176.90112.9V328 M329 E330 Q336V328-K332 WeakPolarHBondContact O-CB 3.18Å; V328-K332 PolarHBondContact O-N 3.37Å; M329-K332 PolarHBondContact O-N 2.96Å; E330-K332 VanDerWaalsContact C-N 3.31Å; E330-K332 PolarHBondContact O-N 3.33Å; K332-Q336 WeakPolarHBondContact O-CG 3.35Å
333K77.5Confident67.3Low114 Ų114108.7 Ų108.750%0.49656%0.555SS.*Hα-helixtrans-65.4-41.1173.8-71.7171.6-169.7171.20111.3M329 E330 F331M329-K333 WeakPolarHBondContact O-CG 3.32Å; M329-K333 PolarHBondContact O-N 3.34Å; E330-K333 WeakPolarHBondContact O-CB 3.35Å; E330-K333 PolarHBondContact O-N 2.9Å; E330-K333 VanDerWaalsContact O-N 3.13Å; E330-K333 IonicContact OE1-NZ 2.96Å; E330-K333 PolarHBondContact OE1-NZ 3.41Å; F331-K333 VanDerWaalsContact C-N 3.34Å; F331-K333 PolarHBondContact O-N 2.89Å
334L70.6Confident65.3Low129 Ų129109.5 Ų109.568%0.67556%0.564SS**Hα-helixtrans-64.4-39.4178.9-79.4150000112.5E330 F331 Q336E330-L334 PolarHBondContact O-N 2.9Å; E330-L334 VanDerWaalsContact O-N 3.11Å; F331-L334 PolarHBondContact O-N 2.99Å; L334-Q336 VanDerWaalsContact C-N 3.29Å; L334-Q336 PolarHBondContact O-N 3.28Å
335N65.2Low63.3Low101 Ų101115.4 Ų115.454%0.5459%0.585SS.*THydrogen-bonded Turntrans-83.414.1-176.4-72.9-20000115.4F331 F337F331-N335 WeakPolarHBondContact CE1-ND2 3.42Å; F331-N335 WeakPolarHBondContact CZ-ND2 3.41Å; F331-N335 PolarHBondContact O-N 3.38Å; F331-N335 VanDerWaalsContact O-N 3.17Å; N335-F337 PolarHBondContact O-N 3.46Å
336Q59.8Low61.7Low141 Ų141117.8 Ų117.866%0.65960%0.598SS**THydrogen-bonded Turntrans-74-11.8177.1-66.2-172.711.900113.8K332 L334K332-Q336 WeakPolarHBondContact O-CG 3.35Å; L334-Q336 VanDerWaalsContact C-N 3.29Å; L334-Q336 PolarHBondContact O-N 3.28Å
337F45.2Very low59.6Low175 Ų175120.8 Ų120.877%0.76860%0.604SS**SBendtrans-118.793.4178-64.7-84.7000110.2N335N335-F337 PolarHBondContact O-N 3.46Å
338N43.2Very low57.8Low145 Ų145117.6 Ų117.678%0.77560%0.597SS**  164.5125.3121.6-94.4-28.2000113.8
339V44.7Very low56.2Low96 Ų96120.2 Ų120.258%0.58260%0.602SS**  trans74.7108.1139.7-171.20000116.7T341V339-T341 VanDerWaalsContact C-N 3.26Å; V339-T341 HydrophobicContact CG1-CG2 3.71Å; V339-T341 PolarHBondContact O-N 3.46Å
340E41.2Very low54.5Low199 Ų199121.6 Ų121.693%0.9361%0.605SS**  trans-57.884.2156.3-61.3177.9167.600109.9
341T41.6Very low53.1Low73 Ų73123.6 Ų123.645%0.44861%0.608SS.*  trans-94.3147.4158.151.30000109V339 D343 T344V339-T341 VanDerWaalsContact C-N 3.26Å; V339-T341 HydrophobicContact CG1-CG2 3.71Å; V339-T341 PolarHBondContact O-N 3.46Å; T341-D343 PolarHBondContact O-N 2.88Å; T341-D343 VanDerWaalsContact O-N 3.07Å; T341-T344 WeakPolarHBondContact O-CB 3.42Å; T341-T344 PolarHBondContact O-N 3.29Å; T341-T344 PolarHBondContact O-OG1 2.99Å; T341-T344 PolarHBondContact OG1-OG1 3.09Å
342P51.8Low51.8Low107 Ų107125.1 Ų125.170%0.69562%0.615SS**THydrogen-bonded Turntrans-61.1-21.7-173.520.8-31.3000114.1T344 K345P342-T344 VanDerWaalsContact C-N 3.26Å; P342-T344 PolarHBondContact O-N 2.9Å; P342-K345 PolarHBondContact O-N 3.16Å
343D45.1Very low50.6Low118 Ų118125.1 Ų125.163%0.63162%0.616SS**THydrogen-bonded Turntrans-70.3-21.4176.1-63.8-26000112.9T341 K345 V346 Y347T341-D343 PolarHBondContact O-N 2.88Å; T341-D343 VanDerWaalsContact O-N 3.07Å; D343-K345 PolarHBondContact O-N 3.16Å; D343-V346 PolarHBondContact O-N 3.21Å; D343-Y347 WeakPolarHBondContact O-CD2 3.39Å
344T44.8Very low49.3Very low67 Ų67122.6 Ų122.641%0.41161%0.608SS.*Hα-helixtrans-67.8-13.4175.7-20.20000112.7T341 P342 G348T341-T344 WeakPolarHBondContact O-CB 3.42Å; T341-T344 PolarHBondContact O-N 3.29Å; T341-T344 PolarHBondContact O-OG1 2.99Å; T341-T344 PolarHBondContact OG1-OG1 3.09Å; P342-T344 VanDerWaalsContact C-N 3.26Å; P342-T344 PolarHBondContact O-N 2.9Å; T344-G348 WeakPolarHBondContact O-CA 3.29Å; T344-G348 PolarHBondContact O-N 3.35Å
345K45Very low48.5Very low174 Ų174119.4 Ų119.476%0.75759%0.592SS**Hα-helixtrans-68.9-35.9175.1-74.7-175.7179.5177.10112.6P342 D343 F349P342-K345 PolarHBondContact O-N 3.16Å; D343-K345 PolarHBondContact O-N 3.16Å; K345-F349 PolarHBondContact O-N 3.17Å; K345-F349 VanDerWaalsContact O-N 3.1Å
346V50.2Low48.2Very low110 Ų110117.3 Ų117.367%0.66759%0.589SS**Hα-helixtrans-72.4-48.2178.6-177.70000109.6D343 G348 F349 F350D343-V346 PolarHBondContact O-N 3.21Å; V346-G348 PolarHBondContact O-N 3.02Å; V346-F349 PolarHBondContact O-N 2.71Å; V346-F350 PolarHBondContact O-N 3.17Å; V346-F350 VanDerWaalsContact O-N 3.09Å
347Y42.1Very low47.9Very low153 Ų153114.6 Ų114.660%0.658%0.579SS**Hα-helixtrans-63.5-40.3174.5-69.4-74.3000112D343 F349 F350 W351D343-Y347 WeakPolarHBondContact O-CD2 3.39Å; Y347-F349 VanDerWaalsContact C-N 3.31Å; Y347-F349 PolarHBondContact O-N 3.11Å; Y347-F350 PolarHBondContact O-N 2.81Å; Y347-W351 WeakPolarHBondContact O-CB 3.44Å; Y347-W351 PolarHBondContact O-N 2.59Å
348G47.3Very low48.3Very low32 Ų32110 Ų11033%0.3356%0.561SS.*Hα-helixtrans-66.1-29.5179.100000113.8T344 V346 K352T344-G348 WeakPolarHBondContact O-CA 3.29Å; T344-G348 PolarHBondContact O-N 3.35Å; V346-G348 PolarHBondContact O-N 3.02Å; G348-K352 WeakPolarHBondContact O-CG 3.24Å; G348-K352 PolarHBondContact O-N 3.26Å
349F50.4Low49Very low144 Ų144109.4 Ų109.463%0.63255%0.552SS**Hα-helixtrans-73-48.5171.4-155.6-86.6000110.6K345 V346 Y347 W351 K352 E353K345-F349 PolarHBondContact O-N 3.17Å; K345-F349 VanDerWaalsContact O-N 3.1Å; V346-F349 PolarHBondContact O-N 2.71Å; Y347-F349 VanDerWaalsContact C-N 3.31Å; Y347-F349 PolarHBondContact O-N 3.11Å; F349-W351 VanDerWaalsContact C-N 3.31Å; F349-W351 PolarHBondContact O-N 3.13Å; F349-K352 WeakPolarHBondContact O-CB 3.07Å; F349-K352 PolarHBondContact O-N 2.86Å; F349-K352 VanDerWaalsContact O-N 3.08Å; F349-E353 PolarHBondContact O-N 2.9Å; F349-E353 VanDerWaalsContact O-N 3.14Å
350F44.7Very low49.2Very low133 Ų133110.8 Ų110.858%0.58355%0.552SS**Hα-helixtrans-58-41.6176.9-162.9-100.3000112.3V346 Y347 E353 L354V346-F350 PolarHBondContact O-N 3.17Å; V346-F350 VanDerWaalsContact O-N 3.09Å; Y347-F350 PolarHBondContact O-N 2.81Å; F350-E353 PolarHBondContact O-N 3.43Å; F350-L354 HydrophobicContact CE1-CD1 4.44Å; F350-L354 WeakPolarHBondContact O-CB 3.49Å; F350-L354 PolarHBondContact O-N 3.23Å
351W49.4Very low49.4Very low142 Ų142105.9 Ų105.954%0.53853%0.532SS..Hα-helixtrans-72.5-25.2176.6-76.3116.6000114.1Y347 F349 L354 N355Y347-W351 WeakPolarHBondContact O-CB 3.44Å; Y347-W351 PolarHBondContact O-N 2.59Å; F349-W351 VanDerWaalsContact C-N 3.31Å; F349-W351 PolarHBondContact O-N 3.13Å; W351-L354 HydrophobicContact CE3-CB 4.49Å; W351-L354 HydrophobicContact CE3-CD2 3.75Å; W351-L354 HydrophobicContact CH2-CD2 4.41Å; W351-L354 HydrophobicContact CZ3-CD2 3.48Å; W351-L354 VanDerWaalsContact CZ3-CD2 3.48Å; W351-N355 VanDerWaalsContact O-CB 3.3Å; W351-N355 WeakPolarHBondContact O-CB 3.49Å; W351-N355 PolarHBondContact O-N 3.4Å; W351-N355 PolarHBondContact O-ND2 3.14Å
352K51.6Low49.6Very low162 Ų162106.4 Ų106.470%0.70453%0.532SS*.Hα-helixtrans-70.5-41.7172.3-87.3-177.1179.3-177.50110.9G348 F349 A356G348-K352 WeakPolarHBondContact O-CG 3.24Å; G348-K352 PolarHBondContact O-N 3.26Å; F349-K352 WeakPolarHBondContact O-CB 3.07Å; F349-K352 PolarHBondContact O-N 2.86Å; F349-K352 VanDerWaalsContact O-N 3.08Å; K352-A356 WeakPolarHBondContact O-CB 3.29Å; K352-A356 PolarHBondContact O-N 3.33Å
353E52.3Low49.4Very low112 Ų112107.8 Ų107.852%0.52353%0.529SS..Hα-helixtrans-68.7-45.6177.8-144.5146.2-154.800110.3F349 F350 N355 A356 D357F349-E353 PolarHBondContact O-N 2.9Å; F349-E353 VanDerWaalsContact O-N 3.14Å; F350-E353 PolarHBondContact O-N 3.43Å; E353-N355 PolarHBondContact O-N 2.96Å; E353-A356 WeakPolarHBondContact O-CB 3.31Å; E353-A356 PolarHBondContact O-N 2.79Å; E353-A356 VanDerWaalsContact O-N 3.1Å; E353-D357 PolarHBondContact O-N 2.86Å
354L50.4Low49.4Very low61 Ų61107.9 Ų107.932%0.31953%0.529SS..Hα-helixtrans-62.3-39.8175.2-155.898000112.7F350 W351 I358F350-L354 HydrophobicContact CE1-CD1 4.44Å; F350-L354 WeakPolarHBondContact O-CB 3.49Å; F350-L354 PolarHBondContact O-N 3.23Å; W351-L354 HydrophobicContact CE3-CB 4.49Å; W351-L354 HydrophobicContact CE3-CD2 3.75Å; W351-L354 HydrophobicContact CH2-CD2 4.41Å; W351-L354 HydrophobicContact CZ3-CD2 3.48Å; W351-L354 VanDerWaalsContact CZ3-CD2 3.48Å; L354-I358 HydrophobicContact CD2-CD1 3.61Å; L354-I358 HydrophobicContact CG-CD1 3.83Å; L354-I358 HydrophobicContact CG-CG1 4.44Å; L354-I358 VanDerWaalsContact O-CB 3.26Å; L354-I358 WeakPolarHBondContact O-CB 3.39Å; L354-I358 WeakPolarHBondContact O-CD1 3.13Å; L354-I358 WeakPolarHBondContact O-CG1 3.47Å; L354-I358 PolarHBondContact O-N 3.11Å
355N53Low49.4Very low63 Ų63109.6 Ų109.634%0.33754%0.539SS..Hα-helixtrans-65.7-41.8173.1-90.9-37.6000111.3W351 E353 D357 F359W351-N355 VanDerWaalsContact O-CB 3.3Å; W351-N355 WeakPolarHBondContact O-CB 3.49Å; W351-N355 PolarHBondContact O-N 3.4Å; W351-N355 PolarHBondContact O-ND2 3.14Å; E353-N355 PolarHBondContact O-N 2.96Å; N355-D357 VanDerWaalsContact C-N 3.32Å; N355-D357 PolarHBondContact O-N 3.35Å; N355-F359 HydrophobicContact CB-CD2 4.49Å; N355-F359 VanDerWaalsContact O-CB 3.29Å; N355-F359 WeakPolarHBondContact O-CB 3.06Å; N355-F359 VanDerWaalsContact O-CD2 3.26Å; N355-F359 WeakPolarHBondContact O-CD2 3.35Å; N355-F359 PolarHBondContact O-N 2.93Å
356A58.1Low49.1Very low57 Ų57112 Ų11247%0.47154%0.543SS..Hα-helixtrans-60.4-45178.300000111K352 E353 F359 Q360K352-A356 WeakPolarHBondContact O-CB 3.29Å; K352-A356 PolarHBondContact O-N 3.33Å; E353-A356 WeakPolarHBondContact O-CB 3.31Å; E353-A356 PolarHBondContact O-N 2.79Å; E353-A356 VanDerWaalsContact O-N 3.1Å; A356-F359 PolarHBondContact O-N 3.09Å; A356-Q360 WeakPolarHBondContact O-CB 3.42Å; A356-Q360 PolarHBondContact O-N 2.87Å
357D53.1Low48.5Very low84 Ų84119.6 Ų119.645%0.44956%0.56SS.*Hα-helixtrans-70-42.8179.1-74.2-11.6000112.5E353 N355 F359 Q360 N361E353-D357 PolarHBondContact O-N 2.86Å; N355-D357 VanDerWaalsContact C-N 3.32Å; N355-D357 PolarHBondContact O-N 3.35Å; D357-F359 PolarHBondContact O-N 3.02Å; D357-Q360 PolarHBondContact O-N 3.49Å; D357-N361 VanDerWaalsContact O-CB 3.27Å; D357-N361 WeakPolarHBondContact O-CB 3.08Å; D357-N361 VanDerWaalsContact O-CG 3.27Å; D357-N361 PolarHBondContact O-N 2.66Å; D357-N361 PolarHBondContact O-ND2 3.36Å; D357-N361 VanDerWaalsContact O-ND2 3.09Å
358I55.6Low48.8Very low77 Ų77118 Ų11840%0.39556%0.558SS.*Hα-helixtrans-63.1-43.3175.6-71.3167.7000110.2L354 N361 L362L354-I358 HydrophobicContact CD2-CD1 3.61Å; L354-I358 HydrophobicContact CG-CD1 3.83Å; L354-I358 HydrophobicContact CG-CG1 4.44Å; L354-I358 VanDerWaalsContact O-CB 3.26Å; L354-I358 WeakPolarHBondContact O-CB 3.39Å; L354-I358 WeakPolarHBondContact O-CD1 3.13Å; L354-I358 WeakPolarHBondContact O-CG1 3.47Å; L354-I358 PolarHBondContact O-N 3.11Å; I358-N361 PolarHBondContact O-N 3.39Å; I358-L362 HydrophobicContact CG2-CD1 3.61Å; I358-L362 HydrophobicContact CG2-CG 4.3Å; I358-L362 VanDerWaalsContact O-CB 3.24Å; I358-L362 WeakPolarHBondContact O-CB 3.43Å; I358-L362 WeakPolarHBondContact O-CD1 3.5Å; I358-L362 WeakPolarHBondContact O-CG 3.44Å; I358-L362 PolarHBondContact O-N 3.32Å
359F55.8Low48.9Very low133 Ų133122.5 Ų122.558%0.58357%0.57SS**Hα-helixtrans-68.1-39.4177.4-89.3-81.8000112.2N355 A356 D357 L362 E363N355-F359 HydrophobicContact CB-CD2 4.49Å; N355-F359 VanDerWaalsContact O-CB 3.29Å; N355-F359 WeakPolarHBondContact O-CB 3.06Å; N355-F359 VanDerWaalsContact O-CD2 3.26Å; N355-F359 WeakPolarHBondContact O-CD2 3.35Å; N355-F359 PolarHBondContact O-N 2.93Å; A356-F359 PolarHBondContact O-N 3.09Å; D357-F359 PolarHBondContact O-N 3.02Å; F359-L362 PolarHBondContact O-N 3.46Å; F359-E363 WeakPolarHBondContact O-CB 3.45Å; F359-E363 PolarHBondContact O-N 2.9Å
360Q50.1Low48.8Very low125 Ų125121.3 Ų121.358%0.58457%0.567SS**Hα-helixtrans-62.4-46.1173.5-104-173.5-19.600112A356 D357 L362 E363 L364A356-Q360 WeakPolarHBondContact O-CB 3.42Å; A356-Q360 PolarHBondContact O-N 2.87Å; D357-Q360 PolarHBondContact O-N 3.49Å; Q360-L362 VanDerWaalsContact C-N 3.34Å; Q360-L362 PolarHBondContact O-N 3.43Å; Q360-E363 PolarHBondContact O-N 3.13Å; Q360-L364 PolarHBondContact O-N 2.83Å
361N45.5Very low49.1Very low97 Ų97120.6 Ų120.652%0.51957%0.566SS.*Hα-helixtrans-67-35.4178.3-73-36000111.8D357 I358 L364 V365D357-N361 VanDerWaalsContact O-CB 3.27Å; D357-N361 WeakPolarHBondContact O-CB 3.08Å; D357-N361 VanDerWaalsContact O-CG 3.27Å; D357-N361 PolarHBondContact O-N 2.66Å; D357-N361 PolarHBondContact O-ND2 3.36Å; D357-N361 VanDerWaalsContact O-ND2 3.09Å; I358-N361 PolarHBondContact O-N 3.39Å; N361-L364 WeakPolarHBondContact O-CB 3.43Å; N361-L364 PolarHBondContact O-N 2.76Å; N361-V365 WeakPolarHBondContact O-CG2 3.44Å; N361-V365 PolarHBondContact O-N 3.09Å
362L45Very low49Very low84 Ų84119.3 Ų119.344%0.4457%0.567SS.*Hα-helixtrans-68.6-33.7171.8-78.2166.2000112.6I358 F359 Q360 L364 V365 R366I358-L362 HydrophobicContact CG2-CD1 3.61Å; I358-L362 HydrophobicContact CG2-CG 4.3Å; I358-L362 VanDerWaalsContact O-CB 3.24Å; I358-L362 WeakPolarHBondContact O-CB 3.43Å; I358-L362 WeakPolarHBondContact O-CD1 3.5Å; I358-L362 WeakPolarHBondContact O-CG 3.44Å; I358-L362 PolarHBondContact O-N 3.32Å; F359-L362 PolarHBondContact O-N 3.46Å; Q360-L362 VanDerWaalsContact C-N 3.34Å; Q360-L362 PolarHBondContact O-N 3.43Å; L362-L364 VanDerWaalsContact C-N 3.29Å; L362-V365 PolarHBondContact O-N 3.32Å; L362-R366 WeakPolarHBondContact O-CB 3.46Å; L362-R366 PolarHBondContact O-N 2.9Å
363E47.4Very low48.9Very low135 Ų135116.4 Ų116.463%0.63156%0.558SS**Hα-helixtrans-68.2-32.1174.2-132.4170.9-163.500111.8F359 Q360 R367F359-E363 WeakPolarHBondContact O-CB 3.45Å; F359-E363 PolarHBondContact O-N 2.9Å; Q360-E363 PolarHBondContact O-N 3.13Å; E363-R367 PolarHBondContact O-N 3.32Å
364L45.9Very low48.6Very low120 Ų120116.7 Ų116.763%0.62856%0.561SS**Hα-helixtrans-67.6-42.7169.2-80.2163.3000112.3Q360 N361 L362 R366 R367Q360-L364 PolarHBondContact O-N 2.83Å; N361-L364 WeakPolarHBondContact O-CB 3.43Å; N361-L364 PolarHBondContact O-N 2.76Å; L362-L364 VanDerWaalsContact C-N 3.29Å; L364-R366 VanDerWaalsContact C-N 3.29Å; L364-R366 PolarHBondContact O-N 2.76Å; L364-R367 PolarHBondContact O-N 3.37Å
365V44.7Very low48.5Very low103 Ų103121 Ų12162%0.62458%0.579SS**Hα-helixtrans-71.2-24.3177.5173.50000112.6N361 L362N361-V365 WeakPolarHBondContact O-CG2 3.44Å; N361-V365 PolarHBondContact O-N 3.09Å; L362-V365 PolarHBondContact O-N 3.32Å
366R38.4Very low48.1Very low225 Ų225125.8 Ų125.885%0.84960%0.599SS**Hα-helixtrans-80.4-23176.9-170175.8-179.5-1761.1113.1L362 L364L362-R366 WeakPolarHBondContact O-CB 3.46Å; L362-R366 PolarHBondContact O-N 2.9Å; L364-R366 VanDerWaalsContact C-N 3.29Å; L364-R366 PolarHBondContact O-N 2.76Å
367R37.9Very low47.2Very low270 Ų270132.1 Ų132.1100%1.01961%0.611SS**  trans-830171.9-76.9-174.7178.7-175.52.7110.3E363 L364E363-R367 PolarHBondContact O-N 3.32Å; L364-R367 PolarHBondContact O-N 3.37Å

Retrieved 367 of 367 residues in 706.8 ms (Link to these results)

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