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DEAD-box ATP-dependent RNA helicase CshA

DEAD-box RNA helicase possibly involved in RNA degradation. Unwinds dsRNA in both 5'- and 3'-directions, has RNA-dependent ATPase activity.

AlphaFold DB (Q2FWH5), UniProt , Accession Q99SH6, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene cshA, Length 506 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
1M50.5Low85.7Confident192 Ų19269.8 Ų69.895%0.94637%0.371SS*.  0129.90-142.2133.116400106E24M1-E24 WeakPolarHBondContact CE-OE1 3.29Å; M1-E24 WeakPolarHBondContact CE-OE2 2.96Å; M1-E24 WeakPolarHBondContact CG-OE1 3.29Å
2Q67.5Low86.4Confident79 Ų7971.9 Ų71.937%0.36938%0.382SS..  trans-91.8124.9-170.7-112.2172.61.900110.4E6 P25Q2-E6 VanDerWaalsContact CA-OE2 3.29Å; Q2-E6 WeakPolarHBondContact CA-OE2 3.31Å; Q2-E6 HydrophobicContact CG-CB 4.02Å; Q2-E6 WeakPolarHBondContact CG-OE2 3.33Å; Q2-P25 WeakPolarHBondContact O-CD 3.36Å; Q2-P25 WeakPolarHBondContact O-CG 3.4Å
3N85Confident87Confident54 Ų5466.4 Ų66.429%0.28935%0.353SS..  trans-88.8161.6171.3-167.9-8.9000110.4K5 E6 L7 K23N3-K5 PolarHBondContact O-N 3.41Å; N3-K5 VanDerWaalsContact O-N 3.16Å; N3-E6 WeakPolarHBondContact O-CB 3.32Å; N3-E6 PolarHBondContact O-N 2.92Å; N3-L7 PolarHBondContact O-N 3.27Å; N3-K23 PolarHBondContact OD1-O 2.91Å
4F90.7Very high87.5Confident2 Ų262.4 Ų62.41%0.00933%0.332CS..G310 helixtrans-51.1-35.6175-73.3-75.2000113.6E6 L7 I9 V14 L17 F22 P25 I33 I58F4-E6 VanDerWaalsContact C-N 3.27Å; F4-E6 PolarHBondContact O-N 3.36Å; F4-L7 HydrophobicContact CD1-CD1 4.47Å; F4-L7 WeakPolarHBondContact O-CB 3.12Å; F4-L7 PolarHBondContact O-N 3.45Å; F4-I9 HydrophobicContact CB-CB 4.38Å; F4-I9 HydrophobicContact CB-CG1 4.41Å; F4-I9 WeakPolarHBondContact O-CB 3.47Å; F4-I9 WeakPolarHBondContact O-CG1 3.3Å; F4-I9 PolarHBondContact O-N 3.15Å; F4-V14 HydrophobicContact CB-CG2 4.06Å; F4-L17 HydrophobicContact CB-CD1 4.34Å; F4-L17 HydrophobicContact CD1-CD1 3.86Å; F4-L17 HydrophobicContact CD2-CD1 4Å; F4-L17 HydrophobicContact CE1-CD1 4.12Å; F4-L17 HydrophobicContact CE2-CD1 4.24Å; F4-L17 HydrophobicContact CG-CD1 3.8Å; F4-L17 HydrophobicContact CZ-CD1 4.3Å; F4-F22 HydrophobicContact CE2-CB 4.18Å; F4-P25 HydrophobicContact CD1-CB 4.2Å; F4-P25 HydrophobicContact CE1-CB 3.73Å; F4-P25 HydrophobicContact CZ-CB 3.94Å; F4-I33 HydrophobicContact CD1-CD1 4.24Å; F4-I33 HydrophobicContact CE1-CD1 4.12Å; F4-I58 HydrophobicContact CD1-CD1 4.11Å; F4-I58 HydrophobicContact CE1-CD1 3.49Å; F4-I58 VanDerWaalsContact CE1-CD1 3.49Å; F4-I58 HydrophobicContact CZ-CD1 4.13Å
5K89.8Confident87.9Confident122 Ų12266.5 Ų66.553%0.5335%0.349SS..G310 helixtrans-60.2-36.9175-170.5164.9-177.5153.80112.5N3 L7 G8 D11 V14N3-K5 PolarHBondContact O-N 3.41Å; N3-K5 VanDerWaalsContact O-N 3.16Å; K5-L7 PolarHBondContact O-N 3.16Å; K5-G8 PolarHBondContact O-N 3.34Å; K5-G8 VanDerWaalsContact O-N 3.15Å; K5-D11 WeakPolarHBondContact CE-OD1 3.43Å; K5-D11 IonicContact NZ-OD1 2.7Å; K5-D11 PolarHBondContact NZ-OD1 3.4Å; K5-D11 IonicContact NZ-OD2 3.48Å; K5-D11 PolarHBondContact NZ-OD2 3.24Å; K5-V14 HydrophobicContact CB-CG2 4.36Å
6E91.2Very high88.2Confident126 Ų12662.9 Ų62.959%0.58933%0.331SS*.G310 helixtrans-72.2-18.3176.7-60.1-178.4-174.500112.7Q2 N3 F4 G8Q2-E6 VanDerWaalsContact CA-OE2 3.29Å; Q2-E6 WeakPolarHBondContact CA-OE2 3.31Å; Q2-E6 HydrophobicContact CG-CB 4.02Å; Q2-E6 WeakPolarHBondContact CG-OE2 3.33Å; N3-E6 WeakPolarHBondContact O-CB 3.32Å; N3-E6 PolarHBondContact O-N 2.92Å; F4-E6 VanDerWaalsContact C-N 3.27Å; F4-E6 PolarHBondContact O-N 3.36Å; E6-G8 VanDerWaalsContact C-N 3.26Å
7L92.3Very high88.5Confident11 Ų1159.2 Ų59.26%0.05831%0.312CS..G310 helixtrans-83.40.7172.3-57.1-178.1000113N3 F4 K5 P25 K30 I33 P34 L37N3-L7 PolarHBondContact O-N 3.27Å; F4-L7 HydrophobicContact CD1-CD1 4.47Å; F4-L7 WeakPolarHBondContact O-CB 3.12Å; F4-L7 PolarHBondContact O-N 3.45Å; K5-L7 PolarHBondContact O-N 3.16Å; L7-P25 HydrophobicContact CD1-CB 3.74Å; L7-P25 HydrophobicContact CD1-CG 3.79Å; L7-K30 HydrophobicContact CD2-CG 4.36Å; L7-I33 HydrophobicContact CB-CG2 3.94Å; L7-I33 HydrophobicContact CD1-CB 4.25Å; L7-I33 HydrophobicContact CD1-CD1 4.01Å; L7-I33 HydrophobicContact CD1-CG2 4.4Å; L7-P34 HydrophobicContact CD2-CG 4.2Å; L7-L37 VanDerWaalsContact O-CD1 3.31Å; L7-L37 WeakPolarHBondContact O-CD1 3.18Å
8G92Very high88.6Confident52 Ų5261.6 Ų61.654%0.53632%0.32SS..THydrogen-bonded Turntrans88.219.7179.800000114.7K5 E6K5-G8 PolarHBondContact O-N 3.34Å; K5-G8 VanDerWaalsContact O-N 3.15Å; E6-G8 VanDerWaalsContact C-N 3.26Å
9I95.5Very high88.7Confident7 Ų762.7 Ų62.74%0.03633%0.334CS..  trans-83.2139.1176.9-56.7-53.2000110.8F4 T13 V14 I33 L37 I58 E62F4-I9 HydrophobicContact CB-CB 4.38Å; F4-I9 HydrophobicContact CB-CG1 4.41Å; F4-I9 WeakPolarHBondContact O-CB 3.47Å; F4-I9 WeakPolarHBondContact O-CG1 3.3Å; F4-I9 PolarHBondContact O-N 3.15Å; I9-T13 HydrophobicContact CG2-CG2 3.59Å; I9-V14 HydrophobicContact CB-CG2 4.18Å; I9-V14 HydrophobicContact CG2-CG2 3.94Å; I9-I33 HydrophobicContact CD1-CG2 3.67Å; I9-I33 HydrophobicContact CG1-CG2 4.18Å; I9-L37 HydrophobicContact CD1-CD1 4.09Å; I9-L37 HydrophobicContact CD1-CD2 4.34Å; I9-I58 HydrophobicContact CD1-CG2 3.52Å; I9-I58 HydrophobicContact CG1-CG2 3.79Å; I9-I58 HydrophobicContact CG2-CG2 4.02Å; I9-E62 HydrophobicContact CD1-CG 4.04Å
10S94.2Very high88.6Confident38 Ų3862.6 Ų62.627%0.26633%0.333SS..  trans-67.5154.5-179.171.20000112.9N12 T13 V14 E62S10-N12 PolarHBondContact O-N 3.03Å; S10-T13 PolarHBondContact O-N 3.23Å; S10-T13 VanDerWaalsContact O-N 3.16Å; S10-T13 PolarHBondContact OG-OG1 3.23Å; S10-V14 WeakPolarHBondContact O-CG2 3.05Å; S10-V14 PolarHBondContact O-N 2.68Å; S10-E62 WeakPolarHBondContact CB-OE1 3.35Å; S10-E62 VanDerWaalsContact CB-OE2 3.26Å; S10-E62 WeakPolarHBondContact CB-OE2 3.46Å; S10-E62 PolarHBondContact N-OE1 3.39Å; S10-E62 PolarHBondContact OG-OE1 3.29Å; S10-E62 PolarHBondContact OG-OE2 3.3Å
11D93.9Very high88.4Confident85 Ų8562.1 Ų62.146%0.45534%0.342SS..Hα-helixtrans-58.6-34.8-179.4-72.4-30.4000112.6K5 V14 Q15K5-D11 WeakPolarHBondContact CE-OD1 3.43Å; K5-D11 IonicContact NZ-OD1 2.7Å; K5-D11 PolarHBondContact NZ-OD1 3.4Å; K5-D11 IonicContact NZ-OD2 3.48Å; K5-D11 PolarHBondContact NZ-OD2 3.24Å; D11-V14 PolarHBondContact O-N 3.07Å; D11-Q15 WeakPolarHBondContact O-CB 3.48Å; D11-Q15 VanDerWaalsContact O-CG 3.32Å; D11-Q15 WeakPolarHBondContact O-CG 3.23Å; D11-Q15 PolarHBondContact O-N 2.91Å
12N93.9Very high90.1Very high95 Ų9557 Ų5751%0.50832%0.315SS..Hα-helixtrans-65.2-42.6178.1-69.5-23.2000112.3S10 S16 Q96S10-N12 PolarHBondContact O-N 3.03Å; N12-S16 PolarHBondContact O-N 3.48Å; N12-S16 VanDerWaalsContact O-N 3.17Å; N12-S16 PolarHBondContact O-OG 2.7Å; N12-S16 VanDerWaalsContact O-OG 3.09Å; N12-Q96 HydrophobicContact CB-CG 4.3Å
13T94.5Very high90.8Very high0 Ų060.8 Ų60.80%033%0.33CS..Hα-helixtrans-72.3-39.5177-58.40000110.6I9 S10 Q15 S16 L17 I58 E62 Q96I9-T13 HydrophobicContact CG2-CG2 3.59Å; S10-T13 PolarHBondContact O-N 3.23Å; S10-T13 VanDerWaalsContact O-N 3.16Å; S10-T13 PolarHBondContact OG-OG1 3.23Å; T13-Q15 PolarHBondContact O-N 3.32Å; T13-S16 WeakPolarHBondContact O-CB 3.46Å; T13-S16 PolarHBondContact O-N 2.78Å; T13-L17 HydrophobicContact CG2-CD1 4.22Å; T13-L17 HydrophobicContact CG2-CG 4.46Å; T13-L17 VanDerWaalsContact O-CG 3.29Å; T13-L17 WeakPolarHBondContact O-CG 3.41Å; T13-L17 PolarHBondContact O-N 2.85Å; T13-I58 HydrophobicContact CG2-CG2 4.03Å; T13-E62 WeakPolarHBondContact CB-OE1 3.46Å; T13-E62 PolarHBondContact OG1-OE1 3.21Å; T13-Q96 PolarHBondContact OG1-NE2 2.9Å
14V94.1Very high90.9Very high10 Ų1063 Ų636%0.06134%0.339CS..Hα-helixtrans-58.5-45.7174173.30000111.2F4 K5 I9 S10 D11 S16 L17 E18F4-V14 HydrophobicContact CB-CG2 4.06Å; K5-V14 HydrophobicContact CB-CG2 4.36Å; I9-V14 HydrophobicContact CB-CG2 4.18Å; I9-V14 HydrophobicContact CG2-CG2 3.94Å; S10-V14 WeakPolarHBondContact O-CG2 3.05Å; S10-V14 PolarHBondContact O-N 2.68Å; D11-V14 PolarHBondContact O-N 3.07Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 3.36Å; V14-L17 WeakPolarHBondContact O-CB 3.41Å; V14-L17 PolarHBondContact O-N 3.03Å; V14-L17 VanDerWaalsContact O-N 3.14Å; V14-E18 HydrophobicContact CG1-CG 4.26Å; V14-E18 WeakPolarHBondContact O-CG 3.49Å; V14-E18 PolarHBondContact O-N 3.38Å
15Q93.3Very high90.9Very high125 Ų12563.9 Ų63.958%0.58434%0.344SS*.Hα-helixtrans-60-41.3175.9-76.9176.12.800112.5D11 T13 L17 E18 S19D11-Q15 WeakPolarHBondContact O-CB 3.48Å; D11-Q15 VanDerWaalsContact O-CG 3.32Å; D11-Q15 WeakPolarHBondContact O-CG 3.23Å; D11-Q15 PolarHBondContact O-N 2.91Å; T13-Q15 PolarHBondContact O-N 3.32Å; Q15-L17 VanDerWaalsContact C-N 3.35Å; Q15-E18 PolarHBondContact O-N 3.35Å; Q15-S19 WeakPolarHBondContact O-CB 3.38Å; Q15-S19 PolarHBondContact O-N 3.08Å
16S93.7Very high90.9Very high8 Ų860.1 Ų60.16%0.05633%0.332CS..Hα-helixtrans-59.9-46.3174.2-61.70000111N12 T13 V14 S19 M20 F92 R94N12-S16 PolarHBondContact O-N 3.48Å; N12-S16 VanDerWaalsContact O-N 3.17Å; N12-S16 PolarHBondContact O-OG 2.7Å; N12-S16 VanDerWaalsContact O-OG 3.09Å; T13-S16 WeakPolarHBondContact O-CB 3.46Å; T13-S16 PolarHBondContact O-N 2.78Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 3.36Å; S16-S19 PolarHBondContact O-N 3.17Å; S16-S19 PolarHBondContact O-OG 2.97Å; S16-M20 WeakPolarHBondContact O-CG 3.37Å; S16-M20 PolarHBondContact O-N 3.3Å; S16-F92 WeakPolarHBondContact CB-O 3.34Å; S16-R94 PolarHBondContact OG-O 3.45Å
17L92.6Very high90.7Very high1 Ų158.5 Ų58.51%0.00533%0.332CS..Hα-helixtrans-63.6-44.1178.5-67.7171.7000112.8F4 T13 V14 Q15 S19 M20 G21 F22 I58 F92F4-L17 HydrophobicContact CB-CD1 4.34Å; F4-L17 HydrophobicContact CD1-CD1 3.86Å; F4-L17 HydrophobicContact CD2-CD1 4Å; F4-L17 HydrophobicContact CE1-CD1 4.12Å; F4-L17 HydrophobicContact CE2-CD1 4.24Å; F4-L17 HydrophobicContact CG-CD1 3.8Å; F4-L17 HydrophobicContact CZ-CD1 4.3Å; T13-L17 HydrophobicContact CG2-CD1 4.22Å; T13-L17 HydrophobicContact CG2-CG 4.46Å; T13-L17 VanDerWaalsContact O-CG 3.29Å; T13-L17 WeakPolarHBondContact O-CG 3.41Å; T13-L17 PolarHBondContact O-N 2.85Å; V14-L17 WeakPolarHBondContact O-CB 3.41Å; V14-L17 PolarHBondContact O-N 3.03Å; V14-L17 VanDerWaalsContact O-N 3.14Å; Q15-L17 VanDerWaalsContact C-N 3.35Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 3.15Å; L17-M20 WeakPolarHBondContact O-CB 3.12Å; L17-M20 PolarHBondContact O-N 3.16Å; L17-M20 VanDerWaalsContact O-N 3.09Å; L17-G21 PolarHBondContact O-N 3.28Å; L17-F22 HydrophobicContact CB-CB 4.16Å; L17-F22 HydrophobicContact CD2-CB 4.49Å; L17-F22 HydrophobicContact CD2-CD2 3.93Å; L17-F22 WeakPolarHBondContact O-CB 2.97Å; L17-F22 PolarHBondContact O-N 3.19Å; L17-I58 HydrophobicContact CD1-CD1 3.79Å; L17-I58 HydrophobicContact CD1-CG1 4.18Å; L17-I58 HydrophobicContact CD1-CG2 4.22Å; L17-I58 HydrophobicContact CD2-CD1 3.8Å; L17-I58 HydrophobicContact CD2-CG1 4.01Å; L17-I58 HydrophobicContact CG-CD1 4.46Å; L17-F92 HydrophobicContact CD2-CD1 3.52Å; L17-F92 HydrophobicContact CD2-CE1 3.68Å; L17-F92 HydrophobicContact CD2-CG 4.36Å
18E90.9Very high90.6Very high101 Ų10158 Ų5847%0.47233%0.33SS..Hα-helixtrans-62.8-38.2177.5-73.9-180169.200111.9V14 Q15 M20 G21V14-E18 HydrophobicContact CG1-CG 4.26Å; V14-E18 WeakPolarHBondContact O-CG 3.49Å; V14-E18 PolarHBondContact O-N 3.38Å; Q15-E18 PolarHBondContact O-N 3.35Å; E18-M20 PolarHBondContact O-N 2.8Å; E18-G21 PolarHBondContact O-N 3.01Å
19S88.9Confident90.6Very high84 Ų8456.3 Ų56.359%0.58731%0.308SS*.Hα-helixtrans-63.6-23.9175.680.10000113.3Q15 S16 L17 G21Q15-S19 WeakPolarHBondContact O-CB 3.38Å; Q15-S19 PolarHBondContact O-N 3.08Å; S16-S19 PolarHBondContact O-N 3.17Å; S16-S19 PolarHBondContact O-OG 2.97Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 3.15Å; S19-G21 VanDerWaalsContact C-N 3.34Å
20M87.4Confident90.5Very high60 Ų6060.6 Ų60.630%0.29633%0.326SS..THydrogen-bonded Turntrans-87.6-3.9173.8-59.1171.677.100112.8S16 L17 E18 F22 E91 F92S16-M20 WeakPolarHBondContact O-CG 3.37Å; S16-M20 PolarHBondContact O-N 3.3Å; L17-M20 WeakPolarHBondContact O-CB 3.12Å; L17-M20 PolarHBondContact O-N 3.16Å; L17-M20 VanDerWaalsContact O-N 3.09Å; E18-M20 PolarHBondContact O-N 2.8Å; M20-F22 HydrophobicContact CB-CD2 3.83Å; M20-F22 HydrophobicContact CB-CE2 4.02Å; M20-F22 HydrophobicContact CE-CD2 4.34Å; M20-F22 HydrophobicContact CE-CE2 3.64Å; M20-F22 HydrophobicContact SD-CD2 4.14Å; M20-F22 HydrophobicContact SD-CE2 4.04Å; M20-E91 HydrophobicContact CE-CB 3.49Å; M20-E91 VanDerWaalsContact CE-CB 3.49Å; M20-E91 HydrophobicContact CE-CG 4.2Å; M20-E91 HydrophobicContact CG-CB 4.45Å; M20-E91 HydrophobicContact SD-CB 3.64Å; M20-F92 HydrophobicContact CE-CD1 4.15Å; M20-F92 HydrophobicContact CE-CE1 3.91Å; M20-F92 HydrophobicContact SD-CD1 3.69Å; M20-F92 HydrophobicContact SD-CE1 3.91Å
21G85.5Confident90.4Very high52 Ų5262.6 Ų62.654%0.53633%0.334SS..THydrogen-bonded Turntrans84.97.7-174.800000114.7L17 E18 S19 K23L17-G21 PolarHBondContact O-N 3.28Å; E18-G21 PolarHBondContact O-N 3.01Å; S19-G21 VanDerWaalsContact C-N 3.34Å; G21-K23 PolarHBondContact O-N 2.67Å
22F85Confident90.4Very high85 Ų8558.6 Ų58.637%0.37331%0.312SS..  trans-82.493.6175.9-63.2-46.5000110.9F4 L17 M20 F92F4-F22 HydrophobicContact CE2-CB 4.18Å; L17-F22 HydrophobicContact CB-CB 4.16Å; L17-F22 HydrophobicContact CD2-CB 4.49Å; L17-F22 HydrophobicContact CD2-CD2 3.93Å; L17-F22 WeakPolarHBondContact O-CB 2.97Å; L17-F22 PolarHBondContact O-N 3.19Å; M20-F22 HydrophobicContact CB-CD2 3.83Å; M20-F22 HydrophobicContact CB-CE2 4.02Å; M20-F22 HydrophobicContact CE-CD2 4.34Å; M20-F22 HydrophobicContact CE-CE2 3.64Å; M20-F22 HydrophobicContact SD-CD2 4.14Å; M20-F22 HydrophobicContact SD-CE2 4.04Å; F22-F92 HydrophobicContact CD2-CE1 4.25Å; F22-F92 AromaticContact CE2-CE1 3.89Å; F22-F92 HydrophobicContact CE2-CE1 3.89Å
23K82Confident90.5Very high159 Ų15954 Ų5469%0.69129%0.288SS*.  trans-87.3-31.3178.1-63.9-175.2-180-179.40113.6N3 G21N3-K23 PolarHBondContact OD1-O 2.91Å; G21-K23 PolarHBondContact O-N 2.67Å
24E87.5Confident90.6Very high101 Ų10155.9 Ų55.947%0.47230%0.3SS..SBendtrans-135.4142.9-173.9-63.7-171.5170.100111.8M1M1-E24 WeakPolarHBondContact CE-OE1 3.29Å; M1-E24 WeakPolarHBondContact CE-OE2 2.96Å; M1-E24 WeakPolarHBondContact CG-OE1 3.29Å
25P91.1Very high90.7Very high19 Ų1959.1 Ų59.112%0.12331%0.312CS..  trans-72.2138.5176.629.9-33.7000111.3Q2 F4 L7 Q29Q2-P25 WeakPolarHBondContact O-CD 3.36Å; Q2-P25 WeakPolarHBondContact O-CG 3.4Å; F4-P25 HydrophobicContact CD1-CB 4.2Å; F4-P25 HydrophobicContact CE1-CB 3.73Å; F4-P25 HydrophobicContact CZ-CB 3.94Å; L7-P25 HydrophobicContact CD1-CB 3.74Å; L7-P25 HydrophobicContact CD1-CG 3.79Å; P25-Q29 VanDerWaalsContact CA-OE1 3.3Å; P25-Q29 HydrophobicContact CB-CB 3.93Å
26T88.9Confident90.9Very high43 Ų4353.2 Ų53.226%0.26428%0.284SS..  trans-67162170.472.20000111I28 Q29 K30 T50T26-I28 VanDerWaalsContact C-N 3.29Å; T26-I28 PolarHBondContact O-N 3.41Å; T26-I28 WeakPolarHBondContact OG1-CG2 3.42Å; T26-Q29 WeakPolarHBondContact O-CA 3.45Å; T26-Q29 WeakPolarHBondContact O-CB 3.12Å; T26-Q29 PolarHBondContact O-N 3.08Å; T26-Q29 VanDerWaalsContact OG1-CD 3.3Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.38Å; T26-K30 PolarHBondContact O-N 3.45Å; T26-T50 WeakPolarHBondContact CB-O 3.49Å; T26-T50 PolarHBondContact OG1-O 2.8Å
27P88Confident91.1Very high93 Ų9355.2 Ų55.260%0.60429%0.294SS*.Hα-helixtrans-52.4-43.4-179.8-29.936.5000113.9Q29 K30 D31 T205P27-Q29 VanDerWaalsContact C-N 3.33Å; P27-Q29 PolarHBondContact O-N 3.15Å; P27-K30 PolarHBondContact O-N 3.21Å; P27-D31 WeakPolarHBondContact O-CB 3.48Å; P27-D31 PolarHBondContact O-N 3.38Å; P27-T205 HydrophobicContact CB-CG2 4.1Å
28I88.9Confident91.2Very high1 Ų161.5 Ų61.51%0.00532%0.324CS..Hα-helixtrans-65.2-36.3176.9-174.8154.6000112.3T26 S32 A46 T50 K52 A55 F181 I203 T205T26-I28 VanDerWaalsContact C-N 3.29Å; T26-I28 PolarHBondContact O-N 3.41Å; T26-I28 WeakPolarHBondContact OG1-CG2 3.42Å; I28-S32 WeakPolarHBondContact O-CB 3.43Å; I28-S32 PolarHBondContact O-N 3.25Å; I28-S32 PolarHBondContact O-OG 3.14Å; I28-A46 HydrophobicContact CD1-CB 3.42Å; I28-A46 VanDerWaalsContact CD1-CB 3.42Å; I28-T50 WeakPolarHBondContact CG2-O 3.39Å; I28-K52 HydrophobicContact CD1-CG 4.04Å; I28-A55 HydrophobicContact CG1-CB 4.03Å; I28-A55 HydrophobicContact CG2-CB 4.31Å; I28-F181 HydrophobicContact CD1-CD1 4.23Å; I28-F181 HydrophobicContact CD1-CE1 4.17Å; I28-I203 HydrophobicContact CG1-CG2 4.41Å; I28-T205 HydrophobicContact CB-CG2 3.79Å
29Q93.1Very high91.4Very high15 Ų1558.2 Ų58.27%0.0732%0.317CS..Hα-helixtrans-68.5-44.8177.5-68.5167.22.400111.1P25 T26 P27 D31 S32 I33 G51 A55P25-Q29 VanDerWaalsContact CA-OE1 3.3Å; P25-Q29 HydrophobicContact CB-CB 3.93Å; T26-Q29 WeakPolarHBondContact O-CA 3.45Å; T26-Q29 WeakPolarHBondContact O-CB 3.12Å; T26-Q29 PolarHBondContact O-N 3.08Å; T26-Q29 VanDerWaalsContact OG1-CD 3.3Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.38Å; P27-Q29 VanDerWaalsContact C-N 3.33Å; P27-Q29 PolarHBondContact O-N 3.15Å; Q29-D31 VanDerWaalsContact C-N 3.27Å; Q29-D31 PolarHBondContact O-N 3.04Å; Q29-S32 PolarHBondContact O-N 3.28Å; Q29-I33 HydrophobicContact CB-CD1 3.85Å; Q29-I33 HydrophobicContact CB-CG1 4.42Å; Q29-I33 VanDerWaalsContact O-CB 3.23Å; Q29-I33 WeakPolarHBondContact O-CB 3.47Å; Q29-I33 WeakPolarHBondContact O-CG1 3.26Å; Q29-I33 PolarHBondContact O-N 2.85Å; Q29-G51 PolarHBondContact NE2-O 2.81Å; Q29-A55 HydrophobicContact CG-CB 3.98Å
30K92.3Very high91.8Very high98 Ų9857 Ų5743%0.42630%0.303SS..Hα-helixtrans-57.5-43.9176.5-172.2-172.5-177.6-170.60111.4L7 T26 P27 P34L7-K30 HydrophobicContact CD2-CG 4.36Å; T26-K30 PolarHBondContact O-N 3.45Å; P27-K30 PolarHBondContact O-N 3.21Å; K30-P34 VanDerWaalsContact O-CD 3.3Å; K30-P34 WeakPolarHBondContact O-CD 3.23Å
31D92Very high92.3Very high80 Ų8054.4 Ų54.443%0.42829%0.291SS..Hα-helixtrans-81.8-19.6-176.4-69.8-12.2000113.2P27 Q29 Y35 I203P27-D31 WeakPolarHBondContact O-CB 3.48Å; P27-D31 PolarHBondContact O-N 3.38Å; Q29-D31 VanDerWaalsContact C-N 3.27Å; Q29-D31 PolarHBondContact O-N 3.04Å; D31-Y35 WeakPolarHBondContact O-CD2 3.32Å; D31-Y35 VanDerWaalsContact O-CE2 3.32Å; D31-Y35 WeakPolarHBondContact O-CE2 3.45Å; D31-I203 HydrophobicContact CB-CG2 3.8Å; D31-I203 WeakPolarHBondContact O-CD1 3.48Å
32S95Very high92.9Very high0 Ų052 Ų520%027%0.265CS..Hα-helixtrans-101.3-40.8-176.876.50000114.5I28 Q29 Y35 A36 I42 A55 I203I28-S32 WeakPolarHBondContact O-CB 3.43Å; I28-S32 PolarHBondContact O-N 3.25Å; I28-S32 PolarHBondContact O-OG 3.14Å; Q29-S32 PolarHBondContact O-N 3.28Å; S32-Y35 PolarHBondContact O-N 2.93Å; S32-A36 WeakPolarHBondContact O-CB 3.16Å; S32-A36 PolarHBondContact O-N 3.01Å; S32-I42 WeakPolarHBondContact O-CD1 3.12Å; S32-A55 WeakPolarHBondContact OG-CA 3.32Å; S32-A55 VanDerWaalsContact OG-CB 3.3Å; S32-A55 WeakPolarHBondContact OG-CB 3.32Å; S32-A55 PolarHBondContact OG-O 3.39Å; S32-I203 VanDerWaalsContact CB-CD1 3.42Å
33I96.8Very high93.5Very high0 Ų048.4 Ų48.40%025%0.25CS..Hα-helixtrans-56.9-46.5-169.1-72.6174.7000112F4 L7 I9 Q29 Y35 A36 L37 I58 P59F4-I33 HydrophobicContact CD1-CD1 4.24Å; F4-I33 HydrophobicContact CE1-CD1 4.12Å; L7-I33 HydrophobicContact CB-CG2 3.94Å; L7-I33 HydrophobicContact CD1-CB 4.25Å; L7-I33 HydrophobicContact CD1-CD1 4.01Å; L7-I33 HydrophobicContact CD1-CG2 4.4Å; I9-I33 HydrophobicContact CD1-CG2 3.67Å; I9-I33 HydrophobicContact CG1-CG2 4.18Å; Q29-I33 HydrophobicContact CB-CD1 3.85Å; Q29-I33 HydrophobicContact CB-CG1 4.42Å; Q29-I33 VanDerWaalsContact O-CB 3.23Å; Q29-I33 WeakPolarHBondContact O-CB 3.47Å; Q29-I33 WeakPolarHBondContact O-CG1 3.26Å; Q29-I33 PolarHBondContact O-N 2.85Å; I33-Y35 PolarHBondContact O-N 2.62Å; I33-A36 WeakPolarHBondContact O-CB 3.2Å; I33-A36 PolarHBondContact O-N 3.16Å; I33-A36 VanDerWaalsContact O-N 3.15Å; I33-L37 HydrophobicContact CG2-CD1 4.05Å; I33-L37 HydrophobicContact CG2-CG 4.33Å; I33-L37 WeakPolarHBondContact O-CG 3.06Å; I33-L37 PolarHBondContact O-N 3.38Å; I33-I58 HydrophobicContact CD1-CB 4.38Å; I33-I58 HydrophobicContact CD1-CD1 4.25Å; I33-I58 HydrophobicContact CD1-CG2 4.39Å; I33-P59 HydrophobicContact CG1-CG 4.34Å
34P95.8Very high94.1Very high39 Ų3940.9 Ų40.925%0.25322%0.217SC..Hα-helixtrans-59.5-42.5-180-26.636.4000113.4L7 K30 Q38L7-P34 HydrophobicContact CD2-CG 4.2Å; K30-P34 VanDerWaalsContact O-CD 3.3Å; K30-P34 WeakPolarHBondContact O-CD 3.23Å; P34-Q38 VanDerWaalsContact O-CG 3.29Å; P34-Q38 WeakPolarHBondContact O-CG 3.21Å; P34-Q38 PolarHBondContact O-N 3.41Å; P34-Q38 PolarHBondContact O-NE2 2.9Å
35Y96.3Very high94.2Very high77 Ų7738.4 Ų38.430%0.30221%0.206SC..Hα-helixtrans-72.5-35.2177.4-58.6-70.3000111.8D31 S32 I33 Q38 G39 I40 K201D31-Y35 WeakPolarHBondContact O-CD2 3.32Å; D31-Y35 VanDerWaalsContact O-CE2 3.32Å; D31-Y35 WeakPolarHBondContact O-CE2 3.45Å; S32-Y35 PolarHBondContact O-N 2.93Å; I33-Y35 PolarHBondContact O-N 2.62Å; Y35-Q38 PolarHBondContact O-N 3.22Å; Y35-G39 PolarHBondContact O-N 2.67Å; Y35-I40 HydrophobicContact CD1-CD1 3.99Å; Y35-I40 PolarHBondContact O-N 3.38Å; Y35-I40 VanDerWaalsContact O-N 3.16Å; Y35-K201 HydrophobicContact CD1-CG 4.38Å; Y35-K201 HydrophobicContact CD2-CD 4.4Å; Y35-K201 HydrophobicContact CD2-CG 3.78Å; Y35-K201 HydrophobicContact CE1-CD 4.28Å; Y35-K201 HydrophobicContact CE2-CD 4.05Å; Y35-K201 HydrophobicContact CE2-CG 3.9Å; Y35-K201 HydrophobicContact CG-CB 4.38Å; Y35-K201 HydrophobicContact CG-CG 4.02Å; Y35-K201 PolarHBondContact OH-NZ 3.42Å
36A97.4Very high93.7Very high1 Ų137.7 Ų37.71%0.00820%0.201CC..Hα-helixtrans-62.2-46.5177.600000109.8S32 I33 Q38 G39 I42 P59 K63 Q177 M179S32-A36 WeakPolarHBondContact O-CB 3.16Å; S32-A36 PolarHBondContact O-N 3.01Å; I33-A36 WeakPolarHBondContact O-CB 3.2Å; I33-A36 PolarHBondContact O-N 3.16Å; I33-A36 VanDerWaalsContact O-N 3.15Å; A36-Q38 VanDerWaalsContact C-N 3.31Å; A36-Q38 PolarHBondContact O-N 3.03Å; A36-G39 PolarHBondContact O-N 3.09Å; A36-G39 VanDerWaalsContact O-N 3.08Å; A36-I42 HydrophobicContact CB-CD1 3.67Å; A36-P59 HydrophobicContact CB-CB 3.63Å; A36-P59 HydrophobicContact CB-CG 3.42Å; A36-P59 VanDerWaalsContact CB-CG 3.42Å; A36-K63 WeakPolarHBondContact O-CE 3.34Å; A36-K63 PolarHBondContact O-NZ 3.23Å; A36-Q177 PolarHBondContact O-NE2 2.86Å; A36-M179 HydrophobicContact CB-SD 3.98Å
37L96.8Very high93Very high51 Ų5140.3 Ų40.327%0.26721%0.211SC..Hα-helixtrans-58.9-40.3175.2-69.8173.4000112.3L7 I9 I33 G39 P59 E62L7-L37 VanDerWaalsContact O-CD1 3.31Å; L7-L37 WeakPolarHBondContact O-CD1 3.18Å; I9-L37 HydrophobicContact CD1-CD1 4.09Å; I9-L37 HydrophobicContact CD1-CD2 4.34Å; I33-L37 HydrophobicContact CG2-CD1 4.05Å; I33-L37 HydrophobicContact CG2-CG 4.33Å; I33-L37 WeakPolarHBondContact O-CG 3.06Å; I33-L37 PolarHBondContact O-N 3.38Å; L37-G39 PolarHBondContact O-N 3.17Å; L37-G39 VanDerWaalsContact O-N 3.17Å; L37-P59 HydrophobicContact CD2-CB 3.73Å; L37-P59 HydrophobicContact CG-CB 3.96Å; L37-E62 HydrophobicContact CD2-CB 3.84Å; L37-E62 HydrophobicContact CD2-CG 4.06Å
38Q95.5Very high92.1Very high133 Ų13339.1 Ų39.162%0.62120%0.201SC*.THydrogen-bonded Turntrans-68.2-9.5177.1-69.4170.833.200114.2P34 Y35 A36 I40P34-Q38 VanDerWaalsContact O-CG 3.29Å; P34-Q38 WeakPolarHBondContact O-CG 3.21Å; P34-Q38 PolarHBondContact O-N 3.41Å; P34-Q38 PolarHBondContact O-NE2 2.9Å; Y35-Q38 PolarHBondContact O-N 3.22Å; A36-Q38 VanDerWaalsContact C-N 3.31Å; A36-Q38 PolarHBondContact O-N 3.03Å; Q38-I40 VanDerWaalsContact C-N 3.33Å; Q38-I40 HydrophobicContact CB-CD1 4.02Å; Q38-I40 HydrophobicContact CB-CG1 4.16Å
39G96Very high91Very high32 Ų3242.1 Ų42.133%0.3323%0.233SC..THydrogen-bonded Turntrans80.813.8-178.800000114.1Y35 A36 L37 Q177Y35-G39 PolarHBondContact O-N 2.67Å; A36-G39 PolarHBondContact O-N 3.09Å; A36-G39 VanDerWaalsContact O-N 3.08Å; L37-G39 PolarHBondContact O-N 3.17Å; L37-G39 VanDerWaalsContact O-N 3.17Å; G39-Q177 WeakPolarHBondContact O-CG 3.35Å
40I97.1Very high90Very high59 Ų5942.5 Ų42.530%0.30324%0.236SC..  trans-77.4139.3176.5-63.2166.7000108.9Y35 Q38 Q177 K201Y35-I40 HydrophobicContact CD1-CD1 3.99Å; Y35-I40 PolarHBondContact O-N 3.38Å; Y35-I40 VanDerWaalsContact O-N 3.16Å; Q38-I40 VanDerWaalsContact C-N 3.33Å; Q38-I40 HydrophobicContact CB-CD1 4.02Å; Q38-I40 HydrophobicContact CB-CG1 4.16Å; I40-Q177 PolarHBondContact O-NE2 3.45Å; I40-K201 HydrophobicContact CG2-CB 4.27Å
41D98.3Very high89.6Confident5 Ų539 Ų393%0.02723%0.227CC..  trans-62.5143.8174.9-8113.1000110.8Q177 T178 M197 K198 P200 K201D41-Q177 VanDerWaalsContact OD1-CA 3.3Å; D41-Q177 WeakPolarHBondContact OD1-CA 3.2Å; D41-T178 CarbonylContact C-O 3.53Å; D41-T178 WeakPolarHBondContact CA-O 3.47Å; D41-T178 WeakPolarHBondContact CB-O 2.95Å; D41-T178 PolarHBondContact OD1-N 3.22Å; D41-M197 HydrophobicContact CB-CB 4.39Å; D41-M197 HydrophobicContact CB-CE 4.02Å; D41-M197 WeakPolarHBondContact OD2-CA 3.47Å; D41-M197 WeakPolarHBondContact OD2-CB 3.16Å; D41-K198 PolarHBondContact OD2-N 3.38Å; D41-P200 HydrophobicContact CB-CB 3.94Å; D41-P200 CarbonylContact O-C 3.43Å; D41-P200 VanDerWaalsContact O-CA 3.23Å; D41-P200 WeakPolarHBondContact O-CA 3.32Å; D41-K201 PolarHBondContact O-N 3.28Å
42I98.1Very high89.4Confident0 Ų035.9 Ų35.90%021%0.21CC..EExtended strand (participates in β ladder)trans-127.4129-175.9-63.7-179.9000110.4S32 A36 T178 M179 L180 F181 M197 I203S32-I42 WeakPolarHBondContact O-CD1 3.12Å; A36-I42 HydrophobicContact CB-CD1 3.67Å; I42-T178 PolarHBondContact N-O 3.34Å; I42-M179 HydrophobicContact CB-CB 4.27Å; I42-M179 HydrophobicContact CB-CG 4.02Å; I42-M179 HydrophobicContact CD1-CG 4.49Å; I42-M179 HydrophobicContact CD1-SD 4.15Å; I42-M179 HydrophobicContact CG1-CG 4.35Å; I42-M179 CarbonylContact O-C 3.47Å; I42-M179 WeakPolarHBondContact O-CA 3.34Å; I42-L180 PolarHBondContact O-N 2.76Å; I42-F181 HydrophobicContact CG2-CZ 4.34Å; I42-M197 WeakPolarHBondContact O-CE 3.3Å; I42-I203 HydrophobicContact CG2-CD1 3.78Å; I42-I203 HydrophobicContact CG2-CG1 4.46Å
43L96.7Very high89.3Confident11 Ų1136.6 Ų36.66%0.05822%0.215CC..EExtended strand (participates in β ladder)trans-105.9100163.9175.961.3000108.5L180 M185 V193 P200 K201 I202 I203L43-L180 WeakPolarHBondContact CA-O 3.39Å; L43-L180 HydrophobicContact CD1-CB 4.33Å; L43-L180 HydrophobicContact CD1-CD2 3.59Å; L43-L180 HydrophobicContact CD1-CG 4.49Å; L43-M185 HydrophobicContact CD1-CE 4.12Å; L43-M185 HydrophobicContact CD1-SD 3.9Å; L43-M185 HydrophobicContact CD2-CE 3.78Å; L43-M185 HydrophobicContact CD2-SD 4.29Å; L43-V193 HydrophobicContact CD1-CG2 3.92Å; L43-V193 HydrophobicContact CD2-CG1 4.28Å; L43-V193 HydrophobicContact CD2-CG2 4.2Å; L43-P200 HydrophobicContact CB-CB 4.37Å; L43-K201 PolarHBondContact N-O 3.4Å; L43-I202 HydrophobicContact CB-CG1 4.45Å; L43-I202 HydrophobicContact CD2-CG1 4.27Å; L43-I202 HydrophobicContact CD2-CG2 4.43Å; L43-I203 PolarHBondContact O-N 3.03Å
44G94.3Very high89.1Confident0 Ų036.7 Ų36.70%022%0.216CC..EExtended strand (participates in β ladder)trans-94.7106.9178.300000111.6L180 F181 S182G44-L180 PolarHBondContact N-O 2.84Å; G44-F181 VanDerWaalsContact O-CA 3.29Å; G44-F181 WeakPolarHBondContact O-CA 3.31Å; G44-S182 PolarHBondContact O-N 3.13Å
45Q89Confident89.1Confident50 Ų5034.9 Ų34.923%0.23420%0.204CC..EExtended strand (participates in β ladder)trans-96107.2171.9-166.8179.63.900110.2S182 A183 M185 I203 K204 T205Q45-S182 VanDerWaalsContact CA-O 3.29Å; Q45-S182 WeakPolarHBondContact CA-O 3.3Å; Q45-A183 PolarHBondContact NE2-O 3.15Å; Q45-M185 HydrophobicContact CG-CG 4.41Å; Q45-I203 PolarHBondContact N-O 3.33Å; Q45-K204 HydrophobicContact CB-CG 4.16Å; Q45-T205 PolarHBondContact O-N 2.89Å
46A81.8Confident89.1Confident3 Ų331.2 Ų31.23%0.02519%0.19CC..  trans-156.6149.8179.800000112.7I28 T50 K52 S182 T205I28-A46 HydrophobicContact CD1-CB 3.42Å; I28-A46 VanDerWaalsContact CD1-CB 3.42Å; A46-T50 HydrophobicContact CB-CG2 4.41Å; A46-T50 WeakPolarHBondContact CB-OG1 3.47Å; A46-K52 HydrophobicContact CB-CD 4.14Å; A46-K52 HydrophobicContact CB-CG 4.18Å; A46-S182 PolarHBondContact N-O 3.17Å; A46-S182 VanDerWaalsContact N-O 3.14Å; A46-T205 WeakPolarHBondContact CB-OG1 3.44Å
47Q73.6Confident89.1Confident99 Ų9931.1 Ų31.146%0.46319%0.189SC..  trans-69.2168.4174.3-66.7-175.6-13.100112.1T50 K52 N207Q47-T50 HydrophobicContact CB-CG2 4.36Å; Q47-T50 WeakPolarHBondContact O-CG2 3.35Å; Q47-T50 PolarHBondContact O-OG1 2.85Å; Q47-K52 WeakPolarHBondContact O-CE 3.14Å; Q47-N207 PolarHBondContact OE1-ND2 2.93Å
48T68.5Low89.2Confident67 Ų6728.8 Ų28.841%0.41118%0.177SC..THydrogen-bonded Turntrans-60.9153.6172.748.20000111T50T48-T50 PolarHBondContact O-N 3.34Å
49G67.5Low89.3Confident64 Ų6422.5 Ų22.566%0.6615%0.147SC*.THydrogen-bonded Turntrans74.5-0.4177.900000116.3G51G49-G51 VanDerWaalsContact C-N 3.27Å; G49-G51 PolarHBondContact O-N 2.92Å
50T72Confident89.4Confident23 Ų2321 Ų2114%0.14113%0.132CC..SBendtrans-80.5-0.5-179.354.50000114.7T26 I28 A46 Q47 T48T26-T50 WeakPolarHBondContact CB-O 3.49Å; T26-T50 PolarHBondContact OG1-O 2.8Å; I28-T50 WeakPolarHBondContact CG2-O 3.39Å; A46-T50 HydrophobicContact CB-CG2 4.41Å; A46-T50 WeakPolarHBondContact CB-OG1 3.47Å; Q47-T50 HydrophobicContact CB-CG2 4.36Å; Q47-T50 WeakPolarHBondContact O-CG2 3.35Å; Q47-T50 PolarHBondContact O-OG1 2.85Å; T48-T50 PolarHBondContact O-N 3.34Å
51G82.4Confident89.4Confident24 Ų2418.1 Ų18.125%0.24712%0.117CC..SBendtrans89.520.8-177.300000115Q29 G49 T53 G54 A55Q29-G51 PolarHBondContact NE2-O 2.81Å; G49-G51 VanDerWaalsContact C-N 3.27Å; G49-G51 PolarHBondContact O-N 2.92Å; G51-T53 VanDerWaalsContact C-N 3.3Å; G51-T53 PolarHBondContact O-N 3.08Å; G51-G54 PolarHBondContact O-N 3.45Å; G51-A55 PolarHBondContact O-N 3.21Å; G51-A55 VanDerWaalsContact O-N 3.14Å
52K88.4Confident89.3Confident15 Ų1520.4 Ų20.47%0.06513%0.128CC..Hα-helixtrans-49.8-43.5178-69.7-173.2-70.9175.30113.8I28 A46 Q47 G54 A55 F56 F181I28-K52 HydrophobicContact CD1-CG 4.04Å; A46-K52 HydrophobicContact CB-CD 4.14Å; A46-K52 HydrophobicContact CB-CG 4.18Å; Q47-K52 WeakPolarHBondContact O-CE 3.14Å; K52-G54 VanDerWaalsContact C-N 3.29Å; K52-G54 PolarHBondContact O-N 3.39Å; K52-A55 WeakPolarHBondContact O-CA 3.33Å; K52-A55 WeakPolarHBondContact O-CB 3.32Å; K52-A55 PolarHBondContact O-N 3.39Å; K52-F56 WeakPolarHBondContact O-CD1 3.38Å; K52-F56 WeakPolarHBondContact O-CE1 3.48Å; K52-F56 PolarHBondContact O-N 3.05Å; K52-F181 HydrophobicContact CB-CD1 4.4Å; K52-F181 HydrophobicContact CD-CB 4.21Å; K52-F181 HydrophobicContact CD-CD1 4.36Å; K52-F181 HydrophobicContact CG-CD1 4.27Å
53T92.4Very high89.2Confident15 Ų1522.5 Ų22.59%0.09214%0.137CC..Hα-helixtrans-61.9-37.5179.7-43.20000112.8G51 A55 F56 G57 V85 Q88 F92G51-T53 VanDerWaalsContact C-N 3.3Å; G51-T53 PolarHBondContact O-N 3.08Å; T53-A55 VanDerWaalsContact C-N 3.32Å; T53-F56 HydrophobicContact CG2-CE2 3.97Å; T53-F56 HydrophobicContact CG2-CZ 3.76Å; T53-G57 WeakPolarHBondContact O-CA 3.17Å; T53-G57 PolarHBondContact O-N 2.98Å; T53-V85 HydrophobicContact CG2-CB 4.48Å; T53-V85 HydrophobicContact CG2-CG1 4.25Å; T53-V85 HydrophobicContact CG2-CG2 4.24Å; T53-Q88 HydrophobicContact CG2-CB 4.02Å; T53-Q88 PolarHBondContact OG1-OE1 2.75Å; T53-F92 HydrophobicContact CG2-CE2 4.48Å
54G94.1Very high89.2Confident3 Ų322 Ų223%0.03113%0.134CC..Hα-helixtrans-66.7-36.2172.100000112.1G51 K52 F56 G57 I58G51-G54 PolarHBondContact O-N 3.45Å; K52-G54 VanDerWaalsContact C-N 3.29Å; K52-G54 PolarHBondContact O-N 3.39Å; G54-F56 VanDerWaalsContact C-N 3.31Å; G54-F56 PolarHBondContact O-N 3.19Å; G54-G57 PolarHBondContact O-N 3.43Å; G54-I58 WeakPolarHBondContact O-CB 3.45Å; G54-I58 WeakPolarHBondContact O-CD1 3.33Å; G54-I58 WeakPolarHBondContact O-CG1 3.5Å; G54-I58 PolarHBondContact O-N 2.95Å; G54-I58 VanDerWaalsContact O-N 3.14Å
55A95.2Very high89.2Confident0 Ų024.5 Ų24.50%015%0.149CC..Hα-helixtrans-62-33.9-175.800000113.5I28 Q29 S32 G51 K52 T53 P59 F181I28-A55 HydrophobicContact CG1-CB 4.03Å; I28-A55 HydrophobicContact CG2-CB 4.31Å; Q29-A55 HydrophobicContact CG-CB 3.98Å; S32-A55 WeakPolarHBondContact OG-CA 3.32Å; S32-A55 VanDerWaalsContact OG-CB 3.3Å; S32-A55 WeakPolarHBondContact OG-CB 3.32Å; S32-A55 PolarHBondContact OG-O 3.39Å; G51-A55 PolarHBondContact O-N 3.21Å; G51-A55 VanDerWaalsContact O-N 3.14Å; K52-A55 WeakPolarHBondContact O-CA 3.33Å; K52-A55 WeakPolarHBondContact O-CB 3.32Å; K52-A55 PolarHBondContact O-N 3.39Å; T53-A55 VanDerWaalsContact C-N 3.32Å; A55-P59 WeakPolarHBondContact O-CG 3.16Å; A55-F181 HydrophobicContact CB-CE1 4.13Å; A55-F181 HydrophobicContact CB-CZ 4.4Å
56F97Very high89.4Confident0 Ų025.5 Ų25.50%017%0.173CC..Hα-helixtrans-103.5-31171.863.2-107.1000114K52 T53 G54 P59 L60 I74 V85 I148 D150 M179 F181K52-F56 WeakPolarHBondContact O-CD1 3.38Å; K52-F56 WeakPolarHBondContact O-CE1 3.48Å; K52-F56 PolarHBondContact O-N 3.05Å; T53-F56 HydrophobicContact CG2-CE2 3.97Å; T53-F56 HydrophobicContact CG2-CZ 3.76Å; G54-F56 VanDerWaalsContact C-N 3.31Å; G54-F56 PolarHBondContact O-N 3.19Å; F56-P59 WeakPolarHBondContact O-CG 3.39Å; F56-L60 WeakPolarHBondContact O-CB 3.49Å; F56-L60 PolarHBondContact O-N 2.97Å; F56-L60 VanDerWaalsContact O-N 3.15Å; F56-I74 HydrophobicContact CD2-CD1 4.37Å; F56-I74 HydrophobicContact CE2-CD1 3.98Å; F56-V85 HydrophobicContact CE2-CG1 3.96Å; F56-V85 HydrophobicContact CZ-CG1 4.07Å; F56-V85 HydrophobicContact CZ-CG2 4.34Å; F56-I148 HydrophobicContact CB-CD1 4.15Å; F56-I148 HydrophobicContact CB-CG1 4.37Å; F56-I148 HydrophobicContact CB-CG2 4.39Å; F56-I148 HydrophobicContact CD1-CG2 4.09Å; F56-I148 HydrophobicContact CD2-CD1 3.78Å; F56-I148 HydrophobicContact CD2-CG1 4.5Å; F56-I148 HydrophobicContact CD2-CG2 4.03Å; F56-I148 HydrophobicContact CE1-CG2 4.31Å; F56-I148 HydrophobicContact CE2-CG2 4.3Å; F56-I148 HydrophobicContact CG-CD1 4.24Å; F56-I148 HydrophobicContact CG-CG2 3.93Å; F56-I148 HydrophobicContact CZ-CG2 4.41Å; F56-D150 HydrophobicContact CE1-CB 4.31Å; F56-D150 HydrophobicContact CZ-CB 4.46Å; F56-M179 HydrophobicContact CB-CE 4.26Å; F56-M179 HydrophobicContact CB-SD 4.22Å; F56-F181 HydrophobicContact CB-CD2 4.5Å; F56-F181 HydrophobicContact CB-CE2 3.58Å; F56-F181 HydrophobicContact CB-CZ 3.87Å; F56-F181 AromaticContact CD1-CD2 3.72Å; F56-F181 HydrophobicContact CD1-CD2 3.72Å; F56-F181 AromaticContact CD1-CE2 3.59Å; F56-F181 HydrophobicContact CD1-CE2 3.59Å; F56-F181 HydrophobicContact CD1-CG 4.32Å; F56-F181 HydrophobicContact CD1-CZ 4.06Å; F56-F181 HydrophobicContact CE1-CD2 4.42Å; F56-F181 HydrophobicContact CG-CD2 4.5Å; F56-F181 HydrophobicContact CG-CE2 4.01Å; F56-F181 HydrophobicContact CG-CZ 4.49Å
57G97.4Very high90.1Very high0 Ų030.5 Ų30.50%019%0.194CC..Hα-helixtrans-75.2-43.6-169.900000112.8T53 G54 L60 I61 L89T53-G57 WeakPolarHBondContact O-CA 3.17Å; T53-G57 PolarHBondContact O-N 2.98Å; G54-G57 PolarHBondContact O-N 3.43Å; G57-L60 WeakPolarHBondContact O-CB 3.39Å; G57-L60 PolarHBondContact O-N 2.89Å; G57-I61 WeakPolarHBondContact O-CG1 3.48Å; G57-I61 PolarHBondContact O-N 2.89Å; G57-L89 VanDerWaalsContact CA-CD2 3.44Å
58I97.5Very high91Very high1 Ų133.2 Ų33.21%0.00521%0.207CC..Hα-helixtrans-58.7-55178-63.4168.3000111.4F4 I9 T13 L17 I33 G54 L60 I61 E62 F92F4-I58 HydrophobicContact CD1-CD1 4.11Å; F4-I58 HydrophobicContact CE1-CD1 3.49Å; F4-I58 VanDerWaalsContact CE1-CD1 3.49Å; F4-I58 HydrophobicContact CZ-CD1 4.13Å; I9-I58 HydrophobicContact CD1-CG2 3.52Å; I9-I58 HydrophobicContact CG1-CG2 3.79Å; I9-I58 HydrophobicContact CG2-CG2 4.02Å; T13-I58 HydrophobicContact CG2-CG2 4.03Å; L17-I58 HydrophobicContact CD1-CD1 3.79Å; L17-I58 HydrophobicContact CD1-CG1 4.18Å; L17-I58 HydrophobicContact CD1-CG2 4.22Å; L17-I58 HydrophobicContact CD2-CD1 3.8Å; L17-I58 HydrophobicContact CD2-CG1 4.01Å; L17-I58 HydrophobicContact CG-CD1 4.46Å; I33-I58 HydrophobicContact CD1-CB 4.38Å; I33-I58 HydrophobicContact CD1-CD1 4.25Å; I33-I58 HydrophobicContact CD1-CG2 4.39Å; G54-I58 WeakPolarHBondContact O-CB 3.45Å; G54-I58 WeakPolarHBondContact O-CD1 3.33Å; G54-I58 WeakPolarHBondContact O-CG1 3.5Å; G54-I58 PolarHBondContact O-N 2.95Å; G54-I58 VanDerWaalsContact O-N 3.14Å; I58-L60 PolarHBondContact O-N 3.45Å; I58-I61 PolarHBondContact O-N 2.83Å; I58-I61 VanDerWaalsContact O-N 3.16Å; I58-E62 PolarHBondContact O-N 3.14Å; I58-F92 HydrophobicContact CG1-CD2 4.19Å; I58-F92 HydrophobicContact CG1-CE2 4.24Å; I58-F92 HydrophobicContact CG1-CG 4.44Å
59P97.6Very high92.3Very high1 Ų131.1 Ų31.11%0.00620%0.199CC..Hα-helixtrans-68.5-22.7178.227.1-35.2000112.6I33 A36 L37 A55 F56 K63I33-P59 HydrophobicContact CG1-CG 4.34Å; A36-P59 HydrophobicContact CB-CB 3.63Å; A36-P59 HydrophobicContact CB-CG 3.42Å; A36-P59 VanDerWaalsContact CB-CG 3.42Å; L37-P59 HydrophobicContact CD2-CB 3.73Å; L37-P59 HydrophobicContact CG-CB 3.96Å; A55-P59 WeakPolarHBondContact O-CG 3.16Å; F56-P59 WeakPolarHBondContact O-CG 3.39Å; P59-K63 WeakPolarHBondContact O-CG 3.39Å; P59-K63 PolarHBondContact O-N 3.44Å
60L98Very high93.7Very high0 Ų029 Ų290%017%0.173CC..Hα-helixtrans-66.5-43171.617464.4000111.4F56 G57 I58 E62 K63 V64 S72 I74 L89 I122 T146 I148F56-L60 WeakPolarHBondContact O-CB 3.49Å; F56-L60 PolarHBondContact O-N 2.97Å; F56-L60 VanDerWaalsContact O-N 3.15Å; G57-L60 WeakPolarHBondContact O-CB 3.39Å; G57-L60 PolarHBondContact O-N 2.89Å; I58-L60 PolarHBondContact O-N 3.45Å; L60-E62 VanDerWaalsContact C-N 3.34Å; L60-E62 PolarHBondContact O-N 3.15Å; L60-K63 PolarHBondContact O-N 3.42Å; L60-K63 VanDerWaalsContact O-N 3.15Å; L60-V64 HydrophobicContact CD1-CG1 3.88Å; L60-V64 WeakPolarHBondContact O-CG2 3.38Å; L60-V64 PolarHBondContact O-N 2.96Å; L60-S72 VanDerWaalsContact CD1-CB 3.5Å; L60-I74 HydrophobicContact CD2-CD1 3.8Å; L60-I74 HydrophobicContact CD2-CG1 4.41Å; L60-L89 HydrophobicContact CD2-CD2 4.34Å; L60-I122 HydrophobicContact CD2-CD1 3.77Å; L60-I122 HydrophobicContact CD2-CG1 4.27Å; L60-I122 HydrophobicContact CD2-CG2 4.17Å; L60-I122 HydrophobicContact CG-CD1 4Å; L60-T146 HydrophobicContact CD1-CG2 4.08Å; L60-I148 HydrophobicContact CD2-CD1 3.82Å
61I97.9Very high94.9Very high0 Ų029.3 Ų29.30%017%0.173CC..Hα-helixtrans-56.5-50.2176.8-63.7-40000110.1G57 I58 K63 V64 V65 L89 F92 V98 I122G57-I61 WeakPolarHBondContact O-CG1 3.48Å; G57-I61 PolarHBondContact O-N 2.89Å; I58-I61 PolarHBondContact O-N 2.83Å; I58-I61 VanDerWaalsContact O-N 3.16Å; I61-K63 PolarHBondContact O-N 3.24Å; I61-K63 VanDerWaalsContact O-N 3.08Å; I61-V64 PolarHBondContact O-N 2.97Å; I61-V65 HydrophobicContact CG2-CG2 3.73Å; I61-V65 VanDerWaalsContact O-CG2 3.26Å; I61-V65 WeakPolarHBondContact O-CG2 3.26Å; I61-V65 PolarHBondContact O-N 3.31Å; I61-L89 HydrophobicContact CD1-CD2 4.1Å; I61-F92 HydrophobicContact CG1-CB 3.89Å; I61-V98 HydrophobicContact CD1-CG1 4.41Å; I61-I122 HydrophobicContact CD1-CD1 3.71Å
62E96.9Very high95.7Very high52 Ų5228.2 Ų28.224%0.24316%0.161CC..Hα-helixtrans-53.4-34178.5-65.7-61.8140.800113.3I9 S10 T13 L37 I58 L60I9-E62 HydrophobicContact CD1-CG 4.04Å; S10-E62 WeakPolarHBondContact CB-OE1 3.35Å; S10-E62 VanDerWaalsContact CB-OE2 3.26Å; S10-E62 WeakPolarHBondContact CB-OE2 3.46Å; S10-E62 PolarHBondContact N-OE1 3.39Å; S10-E62 PolarHBondContact OG-OE1 3.29Å; S10-E62 PolarHBondContact OG-OE2 3.3Å; T13-E62 WeakPolarHBondContact CB-OE1 3.46Å; T13-E62 PolarHBondContact OG1-OE1 3.21Å; L37-E62 HydrophobicContact CD2-CB 3.84Å; L37-E62 HydrophobicContact CD2-CG 4.06Å; I58-E62 PolarHBondContact O-N 3.14Å; L60-E62 VanDerWaalsContact C-N 3.34Å; L60-E62 PolarHBondContact O-N 3.15Å
63K95.8Very high96.2Very high45 Ų4527.5 Ų27.520%0.19616%0.158CC..Hα-helixtrans-79-28.1-179.4-70.1-180-178.1-153.70114.3A36 P59 L60 I61A36-K63 WeakPolarHBondContact O-CE 3.34Å; A36-K63 PolarHBondContact O-NZ 3.23Å; P59-K63 WeakPolarHBondContact O-CG 3.39Å; P59-K63 PolarHBondContact O-N 3.44Å; L60-K63 PolarHBondContact O-N 3.42Å; L60-K63 VanDerWaalsContact O-N 3.15Å; I61-K63 PolarHBondContact O-N 3.24Å; I61-K63 VanDerWaalsContact O-N 3.08Å
64V96.6Very high96.5Very high0 Ų026.8 Ų26.80%015%0.154CC..Hα-helixtrans-104.7-16.3-171-56.10000113.8L60 I61 G66 K67 Q71 V98 Q121 I122L60-V64 HydrophobicContact CD1-CG1 3.88Å; L60-V64 WeakPolarHBondContact O-CG2 3.38Å; L60-V64 PolarHBondContact O-N 2.96Å; I61-V64 PolarHBondContact O-N 2.97Å; V64-G66 PolarHBondContact O-N 3.16Å; V64-K67 VanDerWaalsContact O-CB 3.32Å; V64-K67 WeakPolarHBondContact O-CB 3.46Å; V64-K67 PolarHBondContact O-N 2.98Å; V64-Q71 HydrophobicContact CB-CB 4.5Å; V64-Q71 HydrophobicContact CG1-CB 3.75Å; V64-Q71 HydrophobicContact CG1-CG 4.33Å; V64-V98 HydrophobicContact CG2-CG1 3.84Å; V64-V98 HydrophobicContact CG2-CG2 4.16Å; V64-Q121 HydrophobicContact CB-CB 3.99Å; V64-Q121 HydrophobicContact CB-CG 4.49Å; V64-Q121 HydrophobicContact CG2-CB 4.25Å; V64-I122 HydrophobicContact CG2-CD1 4.03Å; V64-I122 HydrophobicContact CG2-CG1 4.11Å
65V94.7Very high96.7Very high52 Ų5226.6 Ų26.632%0.31515%0.152SC..THydrogen-bonded Turntrans-55.6133.4174.9167.90000110.1I61 K67 Q96 V98I61-V65 HydrophobicContact CG2-CG2 3.73Å; I61-V65 VanDerWaalsContact O-CG2 3.26Å; I61-V65 WeakPolarHBondContact O-CG2 3.26Å; I61-V65 PolarHBondContact O-N 3.31Å; V65-K67 PolarHBondContact O-N 3.19Å; V65-Q96 HydrophobicContact CG2-CB 4.01Å; V65-V98 HydrophobicContact CG2-CG2 3.6Å
66G93.3Very high96.7Very high71 Ų7126.6 Ų26.673%0.73215%0.152SC*.THydrogen-bonded Turntrans73.9-2.1-177.300000115.6V64V64-G66 PolarHBondContact O-N 3.16Å
67K94.7Very high96.4Very high109 Ų10926.8 Ų26.847%0.47415%0.153SC..  trans-88.8162.2175.5-54.4-61.6-176.4179.90111.8V64 V65 Q71 Q121V64-K67 VanDerWaalsContact O-CB 3.32Å; V64-K67 WeakPolarHBondContact O-CB 3.46Å; V64-K67 PolarHBondContact O-N 2.98Å; V65-K67 PolarHBondContact O-N 3.19Å; K67-Q71 HydrophobicContact CB-CG 3.87Å; K67-Q71 HydrophobicContact CG-CG 4.49Å; K67-Q121 WeakPolarHBondContact O-CG 3.44Å; K67-Q121 PolarHBondContact O-NE2 3.39Å
68Q93.6Very high95.9Very high155 Ų15527.5 Ų27.572%0.72416%0.158SC*.  trans-122143.6-179.8-64.6-61.9-34.800110.9Q71Q68-Q71 PolarHBondContact O-NE2 3.1Å; Q68-Q71 VanDerWaalsContact O-NE2 3.1Å
69G96Very high95.4Very high23 Ų2328.2 Ų28.224%0.23716%0.16CC..SBendtrans72.4174.8-17900000113.3Q71 G119 P120 Q121G69-Q71 WeakPolarHBondContact O-CG 3.29Å; G69-Q71 PolarHBondContact O-N 3.16Å; G69-Q71 PolarHBondContact O-NE2 3.2Å; G69-Q71 VanDerWaalsContact O-NE2 3.16Å; G69-G119 WeakPolarHBondContact CA-O 3.5Å; G69-G119 PolarHBondContact N-O 3.03Å; G69-P120 CarbonylContact C-O 3.59Å; G69-Q121 WeakPolarHBondContact O-CA 3.41Å
70V97.3Very high94.7Very high21 Ų2129.1 Ų29.113%0.12717%0.165CC..  trans-66.3116.8-173.6-169.50000111.3P120 V123 L139 G143 I144V70-P120 WeakPolarHBondContact CA-O 3.43Å; V70-P120 WeakPolarHBondContact CG2-O 3.38Å; V70-P120 PolarHBondContact N-O 3.07Å; V70-V123 HydrophobicContact CG1-CG2 3.81Å; V70-V123 HydrophobicContact CG2-CG2 4.18Å; V70-L139 HydrophobicContact CG1-CD1 4.09Å; V70-L139 HydrophobicContact CG2-CD1 4.15Å; V70-G143 CarbonylContact O-C 3.54Å; V70-G143 VanDerWaalsContact O-C 3.31Å; V70-I144 HydrophobicContact CB-CG1 4.47Å; V70-I144 HydrophobicContact CG1-CD1 3.93Å; V70-I144 HydrophobicContact CG1-CG1 3.85Å
71Q97.3Very high94.2Very high29 Ų2929.4 Ų29.414%0.13617%0.166CC..  trans-107.8-26.1179.5-61.5-49.9-76.100112.5V64 K67 Q68 G69 Q121 I144 H145 T146V64-Q71 HydrophobicContact CB-CB 4.5Å; V64-Q71 HydrophobicContact CG1-CB 3.75Å; V64-Q71 HydrophobicContact CG1-CG 4.33Å; K67-Q71 HydrophobicContact CB-CG 3.87Å; K67-Q71 HydrophobicContact CG-CG 4.49Å; Q68-Q71 PolarHBondContact O-NE2 3.1Å; Q68-Q71 VanDerWaalsContact O-NE2 3.1Å; G69-Q71 WeakPolarHBondContact O-CG 3.29Å; G69-Q71 PolarHBondContact O-N 3.16Å; G69-Q71 PolarHBondContact O-NE2 3.2Å; G69-Q71 VanDerWaalsContact O-NE2 3.16Å; Q71-Q121 PolarHBondContact N-O 3.34Å; Q71-I144 WeakPolarHBondContact O-CA 3.27Å; Q71-H145 PolarHBondContact O-N 2.96Å; Q71-H145 PolarHBondContact OE1-CD2 3.45Å; Q71-H145 PolarHBondContact OE1-NE2 3.49Å; Q71-T146 PolarHBondContact O-N 3.01Å
72S98.2Very high93.9Very high0 Ų029.4 Ų29.40%017%0.166CC..EExtended strand (participates in β ladder)trans-143147.8-174.9650000113.5L60 Q121 I122 V123 T146L60-S72 VanDerWaalsContact CD1-CB 3.5Å; S72-Q121 PolarHBondContact N-O 3.18Å; S72-Q121 VanDerWaalsContact N-O 3.09Å; S72-Q121 PolarHBondContact OG-O 2.67Å; S72-I122 WeakPolarHBondContact OG-CG1 3.12Å; S72-I122 WeakPolarHBondContact OG-CG2 3.37Å; S72-V123 PolarHBondContact O-N 3.47Å; S72-T146 WeakPolarHBondContact CA-O 3.41Å
73L98.6Very high93.6Very high0 Ų029.7 Ų29.70%017%0.168CC..EExtended strand (participates in β ladder)trans-123132.2172178.866.2000109.5L75 V123 V130 L139 I144 T146 L147 I148 I167 I171L73-L75 HydrophobicContact CD1-CD2 4.37Å; L73-L75 HydrophobicContact CD2-CD2 4.07Å; L73-L75 HydrophobicContact CG-CD2 4.15Å; L73-V123 CarbonylContact C-O 3.59Å; L73-V123 WeakPolarHBondContact CA-O 3.42Å; L73-V123 HydrophobicContact CD1-CB 4.13Å; L73-V123 HydrophobicContact CD1-CG1 3.92Å; L73-V130 HydrophobicContact CD1-CG1 4.33Å; L73-V130 HydrophobicContact CD1-CG2 4.15Å; L73-V130 HydrophobicContact CD2-CG1 3.93Å; L73-L139 HydrophobicContact CD1-CD2 4.4Å; L73-I144 HydrophobicContact CB-CD1 4.26Å; L73-I144 HydrophobicContact CB-CG2 4.34Å; L73-T146 PolarHBondContact N-O 2.74Å; L73-L147 HydrophobicContact CB-CD1 4.07Å; L73-L147 HydrophobicContact CD2-CD1 4Å; L73-L147 HydrophobicContact CG-CD1 4.1Å; L73-L147 WeakPolarHBondContact O-CA 3.48Å; L73-I148 PolarHBondContact O-N 3.19Å; L73-I167 HydrophobicContact CD2-CG2 3.61Å; L73-I171 HydrophobicContact CD2-CD1 3.8Å
74I98.7Very high93.2Very high0 Ų029.3 Ų29.30%017%0.167CC..EExtended strand (participates in β ladder)trans-117.3124172.5-48.6-172.3000108.5F56 L60 V85 L89 I122 V123 V124 G125 I148F56-I74 HydrophobicContact CD2-CD1 4.37Å; F56-I74 HydrophobicContact CE2-CD1 3.98Å; L60-I74 HydrophobicContact CD2-CD1 3.8Å; L60-I74 HydrophobicContact CD2-CG1 4.41Å; I74-V85 HydrophobicContact CD1-CG1 4.05Å; I74-V85 HydrophobicContact CG2-CG1 4.24Å; I74-L89 HydrophobicContact CD1-CD1 3.51Å; I74-I122 HydrophobicContact CD1-CG2 4.18Å; I74-I122 HydrophobicContact CG1-CG2 4.36Å; I74-V123 PolarHBondContact N-O 2.96Å; I74-V124 HydrophobicContact CB-CB 4.39Å; I74-V124 HydrophobicContact CB-CG1 4.08Å; I74-V124 HydrophobicContact CB-CG2 4.18Å; I74-V124 HydrophobicContact CD1-CG2 4.12Å; I74-V124 HydrophobicContact CG1-CG2 4.34Å; I74-V124 HydrophobicContact CG2-CG1 4.26Å; I74-V124 CarbonylContact O-C 3.31Å; I74-V124 WeakPolarHBondContact O-CA 3.48Å; I74-G125 PolarHBondContact O-N 2.95Å; I74-I148 CarbonylContact C-O 3.57Å; I74-I148 WeakPolarHBondContact CA-O 3.37Å; I74-I148 HydrophobicContact CB-CB 4.33Å; I74-I148 HydrophobicContact CD1-CD1 3.88Å; I74-I148 HydrophobicContact CG1-CB 4.08Å; I74-I148 HydrophobicContact CG1-CD1 3.86Å; I74-I148 HydrophobicContact CG2-CB 4.03Å; I74-I148 HydrophobicContact CG2-CG2 3.94Å
75L98.6Very high93.1Very high0 Ų029.3 Ų29.30%017%0.167CC..EExtended strand (participates in β ladder)trans-97.4131.9172.6-59.7-176.9000109.9L73 G125 V130 L147 I148 D150 M155 M164 I167L73-L75 HydrophobicContact CD1-CD2 4.37Å; L73-L75 HydrophobicContact CD2-CD2 4.07Å; L73-L75 HydrophobicContact CG-CD2 4.15Å; L75-G125 WeakPolarHBondContact CA-O 3.39Å; L75-V130 HydrophobicContact CD2-CB 4.34Å; L75-V130 HydrophobicContact CD2-CG1 4.36Å; L75-V130 HydrophobicContact CD2-CG2 3.88Å; L75-L147 HydrophobicContact CG-CD1 4.45Å; L75-I148 PolarHBondContact N-O 2.93Å; L75-D150 PolarHBondContact O-N 2.83Å; L75-M155 HydrophobicContact CB-CE 4.16Å; L75-M155 HydrophobicContact CB-SD 3.93Å; L75-M164 HydrophobicContact CD1-CG 4.39Å; L75-I167 HydrophobicContact CD1-CB 4.31Å; L75-I167 HydrophobicContact CD1-CD1 3.81Å; L75-I167 HydrophobicContact CD1-CG2 4.04Å; L75-I167 HydrophobicContact CD2-CD1 3.91Å; L75-I167 HydrophobicContact CD2-CG2 4.44Å
76A95.8Very high93.2Very high0 Ų026.9 Ų26.90%015%0.152CC..  trans-131.6146.5173.500000110.2T78 L81 A82 G125A76-T78 VanDerWaalsContact C-N 3.34Å; A76-T78 PolarHBondContact O-N 3.09Å; A76-L81 HydrophobicContact CB-CB 4.25Å; A76-L81 HydrophobicContact CB-CD2 4.07Å; A76-L81 HydrophobicContact CB-CG 4.01Å; A76-A82 HydrophobicContact CB-CB 4.16Å; A76-G125 PolarHBondContact N-O 3.32Å
77P89.4Confident93.3Very high4 Ų427.5 Ų27.53%0.02614%0.136CC..SBendtrans-59-38.9-17921.3-36.5000114.3L81 D150 E151 E154 M155 M158P77-L81 HydrophobicContact CG-CD2 3.72Å; P77-D150 WeakPolarHBondContact CD-O 3.36Å; P77-E151 HydrophobicContact CG-CB 3.83Å; P77-E154 HydrophobicContact CB-CB 4Å; P77-E154 HydrophobicContact CG-CB 3.98Å; P77-M155 VanDerWaalsContact CA-CG 3.48Å; P77-M155 HydrophobicContact CB-CG 3.71Å; P77-M155 HydrophobicContact CG-CG 4.36Å; P77-M158 HydrophobicContact CB-SD 3.88Å
78T88Confident93.2Very high15 Ų1524.6 Ų24.69%0.09212%0.124CC..SBendtrans-124.2160.3-175.476.20000112.1A76 E80 L81 A82 M158 R302A76-T78 VanDerWaalsContact C-N 3.34Å; A76-T78 PolarHBondContact O-N 3.09Å; T78-E80 VanDerWaalsContact C-N 3.26Å; T78-E80 PolarHBondContact O-N 3.42Å; T78-E80 PolarHBondContact OG1-N 2.93Å; T78-E80 PolarHBondContact OG1-OE2 3.45Å; T78-L81 PolarHBondContact OG1-N 2.86Å; T78-A82 WeakPolarHBondContact O-CB 3.5Å; T78-A82 PolarHBondContact O-N 2.91Å; T78-M158 HydrophobicContact CG2-SD 4.33Å; T78-R302 HydrophobicContact CG2-CB 3.95Å
79R86.6Confident93.4Very high15 Ų1517.2 Ų17.26%0.0579%0.089CC..Hα-helixtrans-58.7-41.2173163.2177.8177.3150.8-9.9111.6A82 M83 F104 Q276R79-A82 WeakPolarHBondContact O-CB 3.35Å; R79-A82 PolarHBondContact O-N 3.24Å; R79-M83 HydrophobicContact CG-CG 4.4Å; R79-M83 HydrophobicContact CG-SD 4.08Å; R79-M83 WeakPolarHBondContact O-CB 3.39Å; R79-M83 WeakPolarHBondContact O-CG 3.36Å; R79-M83 PolarHBondContact O-N 2.69Å; R79-F104 HydrophobicContact CB-CB 4.2Å; R79-F104 HydrophobicContact CB-CD1 4.18Å; R79-F104 HydrophobicContact CB-CD2 4.15Å; R79-F104 HydrophobicContact CB-CG 3.9Å; R79-F104 VanDerWaalsContact CD-CE2 3.46Å; R79-F104 HydrophobicContact CG-CD1 3.8Å; R79-F104 HydrophobicContact CG-CD2 3.62Å; R79-F104 HydrophobicContact CG-CE1 3.81Å; R79-F104 HydrophobicContact CG-CE2 3.66Å; R79-F104 HydrophobicContact CG-CG 3.7Å; R79-F104 HydrophobicContact CG-CZ 3.75Å; R79-F104 VanDerWaalsContact NH1-CE2 3.26Å; R79-Q276 VanDerWaalsContact NH1-OE1 3.16Å
80E82.3Confident93.5Very high21 Ų2120.5 Ų20.510%0.09810%0.095CC..Hα-helixtrans-67.5-44.7-173.4-66.467-141.100110.1T78 M83 Q84 R279 L283 G303 L304T78-E80 VanDerWaalsContact C-N 3.26Å; T78-E80 PolarHBondContact O-N 3.42Å; T78-E80 PolarHBondContact OG1-N 2.93Å; T78-E80 PolarHBondContact OG1-OE2 3.45Å; E80-M83 PolarHBondContact O-N 3.19Å; E80-Q84 WeakPolarHBondContact O-CB 3.43Å; E80-Q84 PolarHBondContact O-N 3.4Å; E80-R279 VanDerWaalsContact CD-NE 3.25Å; E80-R279 VanDerWaalsContact CG-NH2 3.28Å; E80-R279 IonicContact OE1-CZ 3.09Å; E80-R279 IonicContact OE1-NE 3.92Å; E80-R279 PolarHBondContact OE1-NE 2.92Å; E80-R279 IonicContact OE1-NH2 3.73Å; E80-R279 PolarHBondContact OE1-NH2 3.29Å; E80-R279 IonicContact OE2-NH2 3.03Å; E80-R279 PolarHBondContact OE2-NH2 3.24Å; E80-L283 HydrophobicContact CG-CD1 4.27Å; E80-G303 WeakPolarHBondContact CB-O 3.27Å; E80-L304 HydrophobicContact CG-CD2 4.33Å
81L87.6Confident93.4Very high5 Ų522 Ų223%0.02610%0.101CC..Hα-helixtrans-63.7-42.7173.5-175.561.1000111.1A76 P77 T78 M83 Q84 V85 E151A76-L81 HydrophobicContact CB-CB 4.25Å; A76-L81 HydrophobicContact CB-CD2 4.07Å; A76-L81 HydrophobicContact CB-CG 4.01Å; P77-L81 HydrophobicContact CG-CD2 3.72Å; T78-L81 PolarHBondContact OG1-N 2.86Å; L81-M83 VanDerWaalsContact C-N 3.27Å; L81-M83 PolarHBondContact O-N 3.33Å; L81-Q84 PolarHBondContact O-N 3.36Å; L81-V85 HydrophobicContact CD1-CG2 4.16Å; L81-V85 HydrophobicContact CG-CG2 4.35Å; L81-V85 WeakPolarHBondContact O-CB 3.47Å; L81-V85 VanDerWaalsContact O-CG2 3.29Å; L81-V85 WeakPolarHBondContact O-CG2 3.25Å; L81-V85 PolarHBondContact O-N 3.04Å; L81-E151 HydrophobicContact CD2-CB 4.18Å; L81-E151 HydrophobicContact CD2-CG 3.84Å; L81-E151 WeakPolarHBondContact CD2-OE2 3.17Å
82A92.8Very high93.3Very high0 Ų020.8 Ų20.80%010%0.095CC..Hα-helixtrans-58.5-39.2174.700000112.5A76 T78 R79 A86 F104 V124A76-A82 HydrophobicContact CB-CB 4.16Å; T78-A82 WeakPolarHBondContact O-CB 3.5Å; T78-A82 PolarHBondContact O-N 2.91Å; R79-A82 WeakPolarHBondContact O-CB 3.35Å; R79-A82 PolarHBondContact O-N 3.24Å; A82-A86 VanDerWaalsContact O-CB 3.27Å; A82-A86 WeakPolarHBondContact O-CB 3.14Å; A82-A86 PolarHBondContact O-N 3.39Å; A82-F104 HydrophobicContact CB-CD1 4.29Å; A82-V124 HydrophobicContact CB-CG1 3.91Å; A82-V124 VanDerWaalsContact O-CG1 3.29Å; A82-V124 WeakPolarHBondContact O-CG1 3.46Å
83M90.1Very high93.1Very high58 Ų5821.1 Ų21.129%0.28610%0.097SC..Hα-helixtrans-70.1-43.5177.3-75-175.557.300112.5R79 E80 L81 A86 E87 F104 L280R79-M83 HydrophobicContact CG-CG 4.4Å; R79-M83 HydrophobicContact CG-SD 4.08Å; R79-M83 WeakPolarHBondContact O-CB 3.39Å; R79-M83 WeakPolarHBondContact O-CG 3.36Å; R79-M83 PolarHBondContact O-N 2.69Å; E80-M83 PolarHBondContact O-N 3.19Å; L81-M83 VanDerWaalsContact C-N 3.27Å; L81-M83 PolarHBondContact O-N 3.33Å; M83-A86 PolarHBondContact O-N 3.36Å; M83-E87 WeakPolarHBondContact O-CB 3.23Å; M83-E87 PolarHBondContact O-N 3.37Å; M83-F104 HydrophobicContact CG-CE1 3.53Å; M83-F104 HydrophobicContact CG-CZ 3.85Å; M83-F104 HydrophobicContact SD-CE1 4.09Å; M83-F104 HydrophobicContact SD-CZ 3.77Å; M83-L280 HydrophobicContact CE-CD1 4.08Å; M83-L280 HydrophobicContact CE-CD2 3.42Å; M83-L280 VanDerWaalsContact CE-CD2 3.42Å; M83-L280 HydrophobicContact CE-CG 4.41Å; M83-L280 HydrophobicContact SD-CD1 4.38Å; M83-L280 HydrophobicContact SD-CD2 3.6Å
84Q87.2Confident92.9Very high38 Ų3828.5 Ų28.518%0.17813%0.125CC..Hα-helixtrans-62.5-46.9177.2175.8-154.2-27.300111.3E80 L81 A86 E87 Q88 D305E80-Q84 WeakPolarHBondContact O-CB 3.43Å; E80-Q84 PolarHBondContact O-N 3.4Å; L81-Q84 PolarHBondContact O-N 3.36Å; Q84-A86 VanDerWaalsContact C-N 3.33Å; Q84-A86 PolarHBondContact O-N 3.3Å; Q84-E87 PolarHBondContact O-N 3.28Å; Q84-Q88 PolarHBondContact O-N 2.93Å; Q84-D305 HydrophobicContact CG-CB 3.89Å; Q84-D305 PolarHBondContact NE2-OD2 2.98Å
85V94.5Very high92.6Very high0 Ų032.7 Ų32.70%017%0.168CC..Hα-helixtrans-59.4-46.4174.7170.10000110.2T53 F56 I74 L81 E87 Q88 L89 V124T53-V85 HydrophobicContact CG2-CB 4.48Å; T53-V85 HydrophobicContact CG2-CG1 4.25Å; T53-V85 HydrophobicContact CG2-CG2 4.24Å; F56-V85 HydrophobicContact CE2-CG1 3.96Å; F56-V85 HydrophobicContact CZ-CG1 4.07Å; F56-V85 HydrophobicContact CZ-CG2 4.34Å; I74-V85 HydrophobicContact CD1-CG1 4.05Å; I74-V85 HydrophobicContact CG2-CG1 4.24Å; L81-V85 HydrophobicContact CD1-CG2 4.16Å; L81-V85 HydrophobicContact CG-CG2 4.35Å; L81-V85 WeakPolarHBondContact O-CB 3.47Å; L81-V85 VanDerWaalsContact O-CG2 3.29Å; L81-V85 WeakPolarHBondContact O-CG2 3.25Å; L81-V85 PolarHBondContact O-N 3.04Å; V85-E87 VanDerWaalsContact C-N 3.31Å; V85-E87 PolarHBondContact O-N 3.26Å; V85-Q88 PolarHBondContact O-N 2.99Å; V85-L89 HydrophobicContact CG1-CD1 3.81Å; V85-L89 HydrophobicContact CG1-CG 4.41Å; V85-L89 WeakPolarHBondContact O-CB 3.29Å; V85-L89 WeakPolarHBondContact O-CD1 3.49Å; V85-L89 WeakPolarHBondContact O-CG 3.29Å; V85-L89 PolarHBondContact O-N 3.49Å; V85-V124 HydrophobicContact CB-CG1 4.16Å; V85-V124 HydrophobicContact CG1-CG1 4.03Å; V85-V124 HydrophobicContact CG1-CG2 4.35Å
86A96.7Very high92.5Very high0 Ų033.9 Ų33.90%017%0.173CC..Hα-helixtrans-62.6-37.2177.700000113.1A82 M83 Q84 R90 V100 T102 V124A82-A86 VanDerWaalsContact O-CB 3.27Å; A82-A86 WeakPolarHBondContact O-CB 3.14Å; A82-A86 PolarHBondContact O-N 3.39Å; M83-A86 PolarHBondContact O-N 3.36Å; Q84-A86 VanDerWaalsContact C-N 3.33Å; Q84-A86 PolarHBondContact O-N 3.3Å; A86-R90 WeakPolarHBondContact O-CG 3.14Å; A86-R90 PolarHBondContact O-N 3.41Å; A86-R90 VanDerWaalsContact O-N 3.07Å; A86-V100 HydrophobicContact CB-CG1 3.78Å; A86-T102 HydrophobicContact CB-CG2 3.26Å; A86-V124 HydrophobicContact CB-CB 4.29Å; A86-V124 HydrophobicContact CB-CG2 4.05Å
87E95Very high92.4Very high85 Ų8536.8 Ų36.840%0.39720%0.203SC..Hα-helixtrans-66.7-47.3176.6-170.466177.200111.7M83 Q84 V85 L89 R90 E91M83-E87 WeakPolarHBondContact O-CB 3.23Å; M83-E87 PolarHBondContact O-N 3.37Å; Q84-E87 PolarHBondContact O-N 3.28Å; V85-E87 VanDerWaalsContact C-N 3.31Å; V85-E87 PolarHBondContact O-N 3.26Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 3.31Å; E87-R90 WeakPolarHBondContact O-CB 3.5Å; E87-R90 PolarHBondContact O-N 3.49Å; E87-R90 VanDerWaalsContact O-N 3.11Å; E87-R90 IonicContact OE2-CZ 2.81Å; E87-R90 IonicContact OE2-NH1 3.79Å; E87-R90 PolarHBondContact OE2-NH1 2.94Å; E87-E91 PolarHBondContact O-N 2.92Å
88Q93.7Very high92.8Very high47 Ų4737.4 Ų37.422%0.2221%0.207CC..Hα-helixtrans-59.1-40.4175.7-74.8-176.6-35.200111.6T53 Q84 V85 R90 E91 F92T53-Q88 HydrophobicContact CG2-CB 4.02Å; T53-Q88 PolarHBondContact OG1-OE1 2.75Å; Q84-Q88 PolarHBondContact O-N 2.93Å; V85-Q88 PolarHBondContact O-N 2.99Å; Q88-R90 PolarHBondContact O-N 2.97Å; Q88-E91 PolarHBondContact O-N 3.01Å; Q88-F92 HydrophobicContact CB-CE2 4.21Å; Q88-F92 HydrophobicContact CB-CZ 4.2Å; Q88-F92 WeakPolarHBondContact O-CD1 3.41Å; Q88-F92 WeakPolarHBondContact O-CD2 3.36Å; Q88-F92 WeakPolarHBondContact O-CG 3.27Å; Q88-F92 PolarHBondContact O-N 2.81Å
89L97.8Very high93.3Very high0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-65.9-35176.2-68.6167.8000113.2G57 L60 I61 I74 V85 E87 F92 S93 V100 I122 V124G57-L89 VanDerWaalsContact CA-CD2 3.44Å; L60-L89 HydrophobicContact CD2-CD2 4.34Å; I61-L89 HydrophobicContact CD1-CD2 4.1Å; I74-L89 HydrophobicContact CD1-CD1 3.51Å; V85-L89 HydrophobicContact CG1-CD1 3.81Å; V85-L89 HydrophobicContact CG1-CG 4.41Å; V85-L89 WeakPolarHBondContact O-CB 3.29Å; V85-L89 WeakPolarHBondContact O-CD1 3.49Å; V85-L89 WeakPolarHBondContact O-CG 3.29Å; V85-L89 PolarHBondContact O-N 3.49Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 3.31Å; L89-F92 HydrophobicContact CD2-CD2 4.29Å; L89-S93 WeakPolarHBondContact O-CB 3.35Å; L89-S93 PolarHBondContact O-N 3.21Å; L89-S93 VanDerWaalsContact O-N 3.1Å; L89-S93 PolarHBondContact O-OG 2.82Å; L89-V100 HydrophobicContact CB-CG1 4.39Å; L89-V100 HydrophobicContact CB-CG2 4.07Å; L89-V100 HydrophobicContact CD1-CG1 4.4Å; L89-I122 HydrophobicContact CD1-CD1 4.44Å; L89-I122 HydrophobicContact CD1-CG2 4.07Å; L89-V124 HydrophobicContact CD1-CG2 4.01Å
90R97Very high93.8Very high93 Ų9340.8 Ų40.835%0.35122%0.223SC..Hα-helixtrans-66.1-40.8173.5-73.2179-158.3113.89.3111.5A86 E87 Q88 S93 R94 V100A86-R90 WeakPolarHBondContact O-CG 3.14Å; A86-R90 PolarHBondContact O-N 3.41Å; A86-R90 VanDerWaalsContact O-N 3.07Å; E87-R90 WeakPolarHBondContact O-CB 3.5Å; E87-R90 PolarHBondContact O-N 3.49Å; E87-R90 VanDerWaalsContact O-N 3.11Å; E87-R90 IonicContact OE2-CZ 2.81Å; E87-R90 IonicContact OE2-NH1 3.79Å; E87-R90 PolarHBondContact OE2-NH1 2.94Å; Q88-R90 PolarHBondContact O-N 2.97Å; R90-S93 CarbonylContact O-C 3.56Å; R90-S93 PolarHBondContact O-N 3.14Å; R90-S93 PolarHBondContact O-OG 2.82Å; R90-R94 PolarHBondContact O-N 3.03Å; R90-R94 VanDerWaalsContact O-N 3.12Å; R90-V100 HydrophobicContact CG-CB 4.05Å; R90-V100 HydrophobicContact CG-CG2 4.09Å; R90-V100 PolarHBondContact NH2-O 2.8Å
91E94.8Very high94.5Very high53 Ų5340.9 Ų40.925%0.24823%0.225CC..Hα-helixtrans-67.2-42.9175.9-68.5-61.8152.900111.6M20 E87 Q88 S93 R94M20-E91 HydrophobicContact CE-CB 3.49Å; M20-E91 VanDerWaalsContact CE-CB 3.49Å; M20-E91 HydrophobicContact CE-CG 4.2Å; M20-E91 HydrophobicContact CG-CB 4.45Å; M20-E91 HydrophobicContact SD-CB 3.64Å; E87-E91 PolarHBondContact O-N 2.92Å; Q88-E91 PolarHBondContact O-N 3.01Å; E91-S93 PolarHBondContact O-N 3.04Å; E91-R94 WeakPolarHBondContact O-CB 3.44Å; E91-R94 PolarHBondContact O-N 2.69Å; E91-R94 IonicContact OE1-NH1 3.83Å; E91-R94 IonicContact OE2-CZ 3.65Å; E91-R94 IonicContact OE2-NH1 2.73Å; E91-R94 PolarHBondContact OE2-NH1 2.65Å
92F95.2Very high95Very high3 Ų342.1 Ų42.11%0.01323%0.233CC..Hα-helixtrans-61.1-27.5174.7-61.6-22.3000113.4S16 L17 M20 F22 T53 I58 I61 Q88 L89 Q96S16-F92 WeakPolarHBondContact CB-O 3.34Å; L17-F92 HydrophobicContact CD2-CD1 3.52Å; L17-F92 HydrophobicContact CD2-CE1 3.68Å; L17-F92 HydrophobicContact CD2-CG 4.36Å; M20-F92 HydrophobicContact CE-CD1 4.15Å; M20-F92 HydrophobicContact CE-CE1 3.91Å; M20-F92 HydrophobicContact SD-CD1 3.69Å; M20-F92 HydrophobicContact SD-CE1 3.91Å; F22-F92 HydrophobicContact CD2-CE1 4.25Å; F22-F92 AromaticContact CE2-CE1 3.89Å; F22-F92 HydrophobicContact CE2-CE1 3.89Å; T53-F92 HydrophobicContact CG2-CE2 4.48Å; I58-F92 HydrophobicContact CG1-CD2 4.19Å; I58-F92 HydrophobicContact CG1-CE2 4.24Å; I58-F92 HydrophobicContact CG1-CG 4.44Å; I61-F92 HydrophobicContact CG1-CB 3.89Å; Q88-F92 HydrophobicContact CB-CE2 4.21Å; Q88-F92 HydrophobicContact CB-CZ 4.2Å; Q88-F92 WeakPolarHBondContact O-CD1 3.41Å; Q88-F92 WeakPolarHBondContact O-CD2 3.36Å; Q88-F92 WeakPolarHBondContact O-CG 3.27Å; Q88-F92 PolarHBondContact O-N 2.81Å; L89-F92 HydrophobicContact CD2-CD2 4.29Å; F92-Q96 PolarHBondContact O-NE2 2.82Å
93S95.8Very high95.3Very high6 Ų642.1 Ų42.14%0.04223%0.233CC..THydrogen-bonded Turntrans-10617.9-178.360.30000114L89 R90 E91 G95 Q96L89-S93 WeakPolarHBondContact O-CB 3.35Å; L89-S93 PolarHBondContact O-N 3.21Å; L89-S93 VanDerWaalsContact O-N 3.1Å; L89-S93 PolarHBondContact O-OG 2.82Å; R90-S93 CarbonylContact O-C 3.56Å; R90-S93 PolarHBondContact O-N 3.14Å; R90-S93 PolarHBondContact O-OG 2.82Å; E91-S93 PolarHBondContact O-N 3.04Å; S93-G95 PolarHBondContact O-N 2.89Å; S93-Q96 WeakPolarHBondContact O-CB 3.08Å; S93-Q96 PolarHBondContact O-N 2.9Å
94R94Very high95.5Very high156 Ų15639.6 Ų39.659%0.58922%0.22SC*.THydrogen-bonded Turntrans-56.1126.5-177.4-167.6174.4-164146.6-3.9110.9S16 R90 E91 Q96S16-R94 PolarHBondContact OG-O 3.45Å; R90-R94 PolarHBondContact O-N 3.03Å; R90-R94 VanDerWaalsContact O-N 3.12Å; E91-R94 WeakPolarHBondContact O-CB 3.44Å; E91-R94 PolarHBondContact O-N 2.69Å; E91-R94 IonicContact OE1-NH1 3.83Å; E91-R94 IonicContact OE2-CZ 3.65Å; E91-R94 IonicContact OE2-NH1 2.73Å; E91-R94 PolarHBondContact OE2-NH1 2.65Å; R94-Q96 PolarHBondContact O-N 3.45Å
95G92.5Very high95.6Very high87 Ų8739.4 Ų39.490%0.89723%0.228SC*.THydrogen-bonded Turntrans76.4-1.8-177.700000115.7S93S93-G95 PolarHBondContact O-N 2.89Å
96Q95.5Very high95.1Very high25 Ų2542.3 Ų42.312%0.11726%0.258CS..THydrogen-bonded Turntrans-98.82.4-174.7-50.5-165.164.300114.2N12 T13 V65 F92 S93 R94 V98N12-Q96 HydrophobicContact CB-CG 4.3Å; T13-Q96 PolarHBondContact OG1-NE2 2.9Å; V65-Q96 HydrophobicContact CG2-CB 4.01Å; F92-Q96 PolarHBondContact O-NE2 2.82Å; S93-Q96 WeakPolarHBondContact O-CB 3.08Å; S93-Q96 PolarHBondContact O-N 2.9Å; R94-Q96 PolarHBondContact O-N 3.45Å; Q96-V98 VanDerWaalsContact C-N 3.26Å; Q96-V98 HydrophobicContact CB-CG2 4.44Å; Q96-V98 PolarHBondContact O-N 2.89Å
97G94.2Very high94.4Very high61 Ų6145.1 Ų45.163%0.62927%0.272SS*.THydrogen-bonded Turntrans71.612.5176.100000115.5
98V97.4Very high94.2Very high17 Ų1744.4 Ų44.410%0.10328%0.275CS..  trans-75.3130.5175.4-178.90000109.9I61 V64 V65 Q96 V100 Q121 I122I61-V98 HydrophobicContact CD1-CG1 4.41Å; V64-V98 HydrophobicContact CG2-CG1 3.84Å; V64-V98 HydrophobicContact CG2-CG2 4.16Å; V65-V98 HydrophobicContact CG2-CG2 3.6Å; Q96-V98 VanDerWaalsContact C-N 3.26Å; Q96-V98 HydrophobicContact CB-CG2 4.44Å; Q96-V98 PolarHBondContact O-N 2.89Å; V98-V100 HydrophobicContact CG1-CG2 4.26Å; V98-Q121 HydrophobicContact CG1-CB 4.42Å; V98-I122 HydrophobicContact CG1-CD1 3.91Å; V98-I122 HydrophobicContact CG1-CG1 4.18Å
99Q97.7Very high94.3Very high90 Ų9042.7 Ų42.742%0.42127%0.267SS..  trans-102.9125.9175.8-63.8-176.4-4.600110.6P120 Q121 I122Q99-P120 HydrophobicContact CB-CB 3.98Å; Q99-Q121 PolarHBondContact O-N 3.35Å; Q99-Q121 VanDerWaalsContact O-N 3.13Å; Q99-I122 PolarHBondContact O-N 3.13Å; Q99-I122 VanDerWaalsContact O-N 3.14Å
100V98.2Very high94.3Very high12 Ų1248.3 Ų48.37%0.07329%0.294CS..EExtended strand (participates in β ladder)trans-117.9117.4179.3-169.80000110A86 L89 R90 V98 I122 V124A86-V100 HydrophobicContact CB-CG1 3.78Å; L89-V100 HydrophobicContact CB-CG1 4.39Å; L89-V100 HydrophobicContact CB-CG2 4.07Å; L89-V100 HydrophobicContact CD1-CG1 4.4Å; R90-V100 HydrophobicContact CG-CB 4.05Å; R90-V100 HydrophobicContact CG-CG2 4.09Å; R90-V100 PolarHBondContact NH2-O 2.8Å; V98-V100 HydrophobicContact CG1-CG2 4.26Å; V100-I122 WeakPolarHBondContact CA-O 3.37Å; V100-I122 HydrophobicContact CB-CB 4.47Å; V100-I122 HydrophobicContact CG1-CB 4.15Å; V100-I122 HydrophobicContact CG1-CG2 4.14Å; V100-I122 HydrophobicContact CG2-CB 4.19Å; V100-I122 HydrophobicContact CG2-CD1 4.13Å; V100-V124 HydrophobicContact CG1-CG2 3.96Å
101V97.7Very high94.2Very high23 Ų2352.5 Ų52.514%0.13931%0.309CS..EExtended strand (participates in β ladder)trans-113.2137.4179.7167.40000110.5V103 A115 L116 P120 I122 V123 V124V101-V103 HydrophobicContact CG1-CG1 4.31Å; V101-A115 HydrophobicContact CG1-CB 3.83Å; V101-A115 HydrophobicContact CG2-CB 4.01Å; V101-L116 HydrophobicContact CG1-CD2 4.27Å; V101-P120 HydrophobicContact CB-CB 4.02Å; V101-P120 HydrophobicContact CB-CG 3.84Å; V101-P120 HydrophobicContact CG2-CB 3.6Å; V101-P120 HydrophobicContact CG2-CG 3.66Å; V101-I122 PolarHBondContact N-O 3.4Å; V101-V123 CarbonylContact O-C 3.52Å; V101-V123 WeakPolarHBondContact O-CA 3.34Å; V101-V124 PolarHBondContact O-N 2.81Å
102T97.7Very high94.3Very high31 Ų3150.4 Ų50.419%0.1930%0.299CS..EExtended strand (participates in β ladder)trans-100.6137.817553.90000112.4A86 F104 V124A86-T102 HydrophobicContact CB-CG2 3.26Å; T102-F104 VanDerWaalsContact CB-CE1 3.49Å; T102-F104 HydrophobicContact CG2-CE1 4.26Å; T102-V124 CarbonylContact C-O 3.55Å; T102-V124 WeakPolarHBondContact CA-O 3.46Å; T102-V124 HydrophobicContact CG2-CB 4.43Å
103V97.6Very high94.4Very high0 Ų051.6 Ų51.60%031%0.306CS..EExtended strand (participates in β ladder)trans-128.5114.1176-60.40000111.6V101 Q112 L116 V123 V124 G125 T126 R129 V130V101-V103 HydrophobicContact CG1-CG1 4.31Å; V103-Q112 HydrophobicContact CG1-CB 4.28Å; V103-L116 HydrophobicContact CG1-CD1 4.3Å; V103-L116 HydrophobicContact CG1-CD2 4.38Å; V103-L116 HydrophobicContact CG1-CG 4.42Å; V103-V123 HydrophobicContact CG1-CG1 4.19Å; V103-V123 HydrophobicContact CG2-CG1 3.69Å; V103-V124 PolarHBondContact N-O 3.23Å; V103-G125 CarbonylContact O-C 3.51Å; V103-G125 WeakPolarHBondContact O-CA 3.44Å; V103-T126 PolarHBondContact O-N 3.12Å; V103-T126 VanDerWaalsContact O-N 3.08Å; V103-R129 HydrophobicContact CB-CG 4.07Å; V103-V130 HydrophobicContact CG2-CG2 3.75Å
104F95.7Very high94.5Very high4 Ų458.6 Ų58.62%0.01834%0.335CS..  trans-151.2170177.943.8-110.3000112.9R79 A82 M83 T102 M107 Q112 T126 R129R79-F104 HydrophobicContact CB-CB 4.2Å; R79-F104 HydrophobicContact CB-CD1 4.18Å; R79-F104 HydrophobicContact CB-CD2 4.15Å; R79-F104 HydrophobicContact CB-CG 3.9Å; R79-F104 VanDerWaalsContact CD-CE2 3.46Å; R79-F104 HydrophobicContact CG-CD1 3.8Å; R79-F104 HydrophobicContact CG-CD2 3.62Å; R79-F104 HydrophobicContact CG-CE1 3.81Å; R79-F104 HydrophobicContact CG-CE2 3.66Å; R79-F104 HydrophobicContact CG-CG 3.7Å; R79-F104 HydrophobicContact CG-CZ 3.75Å; R79-F104 VanDerWaalsContact NH1-CE2 3.26Å; A82-F104 HydrophobicContact CB-CD1 4.29Å; M83-F104 HydrophobicContact CG-CE1 3.53Å; M83-F104 HydrophobicContact CG-CZ 3.85Å; M83-F104 HydrophobicContact SD-CE1 4.09Å; M83-F104 HydrophobicContact SD-CZ 3.77Å; T102-F104 VanDerWaalsContact CB-CE1 3.49Å; T102-F104 HydrophobicContact CG2-CE1 4.26Å; F104-M107 HydrophobicContact CD2-SD 4.49Å; F104-M107 HydrophobicContact CE2-CG 4.19Å; F104-M107 HydrophobicContact CE2-SD 3.49Å; F104-M107 WeakPolarHBondContact CE2-SD 3.2Å; F104-M107 HydrophobicContact CZ-SD 4.07Å; F104-Q112 PolarHBondContact O-NE2 2.96Å; F104-T126 WeakPolarHBondContact CA-OG1 3.45Å; F104-T126 HydrophobicContact CB-CG2 3.85Å; F104-T126 WeakPolarHBondContact CB-OG1 3.44Å; F104-R129 PolarHBondContact O-NE 3.33Å
105G88.2Confident94.6Very high34 Ų3452.6 Ų52.635%0.35132%0.319SS..THydrogen-bonded Turntrans-65.6169177.700000114.3M107G105-M107 PolarHBondContact O-N 3.14Å
106G83.7Confident94.8Very high61 Ų6149 Ų4963%0.62928%0.279SS*.THydrogen-bonded Turntrans72.95.5176.100000115.8
107M83.8Confident94.9Very high60 Ų6056 Ų5630%0.29631%0.309SS..SBendtrans-122.6149.5167.3-75.2-177.567.100110.7F104 G105 I109 R129F104-M107 HydrophobicContact CD2-SD 4.49Å; F104-M107 HydrophobicContact CE2-CG 4.19Å; F104-M107 HydrophobicContact CE2-SD 3.49Å; F104-M107 WeakPolarHBondContact CE2-SD 3.2Å; F104-M107 HydrophobicContact CZ-SD 4.07Å; G105-M107 PolarHBondContact O-N 3.14Å; M107-I109 PolarHBondContact O-N 3.33Å; M107-R129 PolarHBondContact O-NH2 2.79Å
108P90.5Very high94.9Very high69 Ų6960.4 Ų60.445%0.44831%0.311SS..  trans-54.4127.6174-25.234.1000111.3E110 R111P108-E110 PolarHBondContact O-N 3.07Å; P108-R111 PolarHBondContact O-N 3.27Å
109I95.5Very high94.8Very high11 Ų1160.5 Ų60.56%0.05632%0.316CS..Hα-helixtrans-68.1-28.6-176.1-165.7171.4000111.1M107 R111 Q112 I113 D132M107-I109 PolarHBondContact O-N 3.33Å; I109-R111 VanDerWaalsContact C-N 3.26Å; I109-R111 PolarHBondContact O-N 3.28Å; I109-Q112 CarbonylContact O-C 3.58Å; I109-Q112 WeakPolarHBondContact O-CA 3.21Å; I109-Q112 WeakPolarHBondContact O-CB 3.37Å; I109-Q112 PolarHBondContact O-N 2.78Å; I109-I113 HydrophobicContact CG1-CD1 4.15Å; I109-I113 HydrophobicContact CG1-CG1 4.22Å; I109-I113 HydrophobicContact CG2-CD1 4.37Å; I109-I113 VanDerWaalsContact O-CG1 3.31Å; I109-I113 WeakPolarHBondContact O-CG1 3.43Å; I109-I113 PolarHBondContact O-N 3.03Å; I109-D132 HydrophobicContact CD1-CB 4.01Å
110E96.4Very high94.8Very high119 Ų11956.2 Ų56.256%0.55630%0.296SS*.Hα-helixtrans-59.7-37-179.7-64.867.9-147.500111.6P108 I113 K114P108-E110 PolarHBondContact O-N 3.07Å; E110-I113 PolarHBondContact O-N 3.09Å; E110-K114 PolarHBondContact O-N 3.14Å
111R95.2Very high94.8Very high180 Ų18056.1 Ų56.168%0.67929%0.294SS*.Hα-helixtrans-67.2-40.4175.2-67.5-174.3-178.8-174.61.2111.3P108 I109 K114 A115P108-R111 PolarHBondContact O-N 3.27Å; I109-R111 VanDerWaalsContact C-N 3.26Å; I109-R111 PolarHBondContact O-N 3.28Å; R111-K114 PolarHBondContact O-N 2.96Å; R111-A115 PolarHBondContact O-N 3.4Å
112Q97.4Very high94.9Very high9 Ų955 Ų554%0.04229%0.288CS..Hα-helixtrans-68.5-41.2177.1-62.9179.221.400111.1V103 F104 I109 K114 A115 L116 R129 H133V103-Q112 HydrophobicContact CG1-CB 4.28Å; F104-Q112 PolarHBondContact O-NE2 2.96Å; I109-Q112 CarbonylContact O-C 3.58Å; I109-Q112 WeakPolarHBondContact O-CA 3.21Å; I109-Q112 WeakPolarHBondContact O-CB 3.37Å; I109-Q112 PolarHBondContact O-N 2.78Å; Q112-K114 VanDerWaalsContact C-N 3.32Å; Q112-K114 PolarHBondContact O-N 3.03Å; Q112-A115 WeakPolarHBondContact O-CB 3.37Å; Q112-A115 PolarHBondContact O-N 2.9Å; Q112-A115 VanDerWaalsContact O-N 3.13Å; Q112-L116 WeakPolarHBondContact O-CG 3.2Å; Q112-L116 PolarHBondContact O-N 3.1Å; Q112-R129 VanDerWaalsContact OE1-CG 3.26Å; Q112-H133 WeakPolarHBondContact CB-NE2 3.33Å; Q112-H133 PolarHBondContact OE1-NE2 3.48Å; Q112-H133 VanDerWaalsContact OE1-NE2 3.16Å
113I97.7Very high94.9Very high29 Ų2953.5 Ų53.515%0.14928%0.279CS..Hα-helixtrans-58.6-45.2173.2-66.4169000110.4I109 E110 A115 L116 K117 T138I109-I113 HydrophobicContact CG1-CD1 4.15Å; I109-I113 HydrophobicContact CG1-CG1 4.22Å; I109-I113 HydrophobicContact CG2-CD1 4.37Å; I109-I113 VanDerWaalsContact O-CG1 3.31Å; I109-I113 WeakPolarHBondContact O-CG1 3.43Å; I109-I113 PolarHBondContact O-N 3.03Å; E110-I113 PolarHBondContact O-N 3.09Å; I113-A115 VanDerWaalsContact C-N 3.29Å; I113-A115 PolarHBondContact O-N 3.26Å; I113-L116 PolarHBondContact O-N 2.87Å; I113-K117 HydrophobicContact CG2-CD 4.38Å; I113-K117 WeakPolarHBondContact O-CG 3.49Å; I113-K117 PolarHBondContact O-N 3.28Å; I113-T138 HydrophobicContact CD1-CG2 3.99Å; I113-T138 HydrophobicContact CG1-CG2 3.9Å; I113-T138 HydrophobicContact CG2-CG2 4.09Å
114K97.4Very high95Very high153 Ų15353.5 Ų53.567%0.66528%0.279SS*.Hα-helixtrans-61.8-37.5176.8-172176.9-179.2178.20112.1E110 R111 Q112E110-K114 PolarHBondContact O-N 3.14Å; R111-K114 PolarHBondContact O-N 2.96Å; Q112-K114 VanDerWaalsContact C-N 3.32Å; Q112-K114 PolarHBondContact O-N 3.03Å
115A96.4Very high95.1Very high29 Ų2953.3 Ų53.324%0.2428%0.278CS..Hα-helixtrans-68.4-45.5175.500000112V101 R111 Q112 I113 K117 K118V101-A115 HydrophobicContact CG1-CB 3.83Å; V101-A115 HydrophobicContact CG2-CB 4.01Å; R111-A115 PolarHBondContact O-N 3.4Å; Q112-A115 WeakPolarHBondContact O-CB 3.37Å; Q112-A115 PolarHBondContact O-N 2.9Å; Q112-A115 VanDerWaalsContact O-N 3.13Å; I113-A115 VanDerWaalsContact C-N 3.29Å; I113-A115 PolarHBondContact O-N 3.26Å; A115-K117 VanDerWaalsContact C-N 3.31Å; A115-K117 PolarHBondContact O-N 3.2Å; A115-K118 WeakPolarHBondContact O-CB 3.49Å; A115-K118 PolarHBondContact O-N 3.33Å; A115-K118 VanDerWaalsContact O-N 3.1Å
116L97.8Very high95.5Very high11 Ų1152.6 Ų52.66%0.05827%0.266CS..Hα-helixtrans-62.4-35.5176.8-70.9175.3000112.7V101 V103 Q112 I113 K118 G119 P120 V123 H133 L139V101-L116 HydrophobicContact CG1-CD2 4.27Å; V103-L116 HydrophobicContact CG1-CD1 4.3Å; V103-L116 HydrophobicContact CG1-CD2 4.38Å; V103-L116 HydrophobicContact CG1-CG 4.42Å; Q112-L116 WeakPolarHBondContact O-CG 3.2Å; Q112-L116 PolarHBondContact O-N 3.1Å; I113-L116 PolarHBondContact O-N 2.87Å; L116-K118 PolarHBondContact O-N 3.02Å; L116-K118 VanDerWaalsContact O-N 3.15Å; L116-G119 PolarHBondContact O-N 3.47Å; L116-P120 HydrophobicContact CD2-CG 4.23Å; L116-P120 WeakPolarHBondContact O-CD 3.13Å; L116-V123 HydrophobicContact CD2-CG1 4.34Å; L116-V123 HydrophobicContact CD2-CG2 3.58Å; L116-H133 HydrophobicContact CD1-CB 4.43Å; L116-H133 WeakPolarHBondContact CD1-ND1 3.38Å; L116-L139 HydrophobicContact CD1-CB 4.32Å; L116-L139 HydrophobicContact CD2-CD1 4.2Å
117K96.1Very high96.2Very high173 Ų17349.7 Ų49.775%0.75224%0.236SC*.THydrogen-bonded Turntrans-61.2-19.8175.2-79.7-177.9178.1-173.70113.8I113 A115 G119I113-K117 HydrophobicContact CG2-CD 4.38Å; I113-K117 WeakPolarHBondContact O-CG 3.49Å; I113-K117 PolarHBondContact O-N 3.28Å; A115-K117 VanDerWaalsContact C-N 3.31Å; A115-K117 PolarHBondContact O-N 3.2Å; K117-G119 PolarHBondContact O-N 3.11Å
118K95.6Very high96.8Very high153 Ų15348.2 Ų48.267%0.66524%0.237SC*.THydrogen-bonded Turntrans-74.4-8.7173.6-62.1-176.4176-173.60113.1A115 L116A115-K118 WeakPolarHBondContact O-CB 3.49Å; A115-K118 PolarHBondContact O-N 3.33Å; A115-K118 VanDerWaalsContact O-N 3.1Å; L116-K118 PolarHBondContact O-N 3.02Å; L116-K118 VanDerWaalsContact O-N 3.15Å
119G95Very high97.1Very high20 Ų2046.7 Ų46.721%0.20622%0.222CC..  trans72.450.3178.800000114G69 L116 K117G69-G119 WeakPolarHBondContact CA-O 3.5Å; G69-G119 PolarHBondContact N-O 3.03Å; L116-G119 PolarHBondContact O-N 3.47Å; K117-G119 PolarHBondContact O-N 3.11Å
120P97.7Very high97.2Very high0 Ų046.2 Ų46.20%022%0.22CC..  trans-62.8143.8177.731.7-36.9000110.7G69 V70 Q99 V101 L116 V123G69-P120 CarbonylContact C-O 3.59Å; V70-P120 WeakPolarHBondContact CA-O 3.43Å; V70-P120 WeakPolarHBondContact CG2-O 3.38Å; V70-P120 PolarHBondContact N-O 3.07Å; Q99-P120 HydrophobicContact CB-CB 3.98Å; V101-P120 HydrophobicContact CB-CB 4.02Å; V101-P120 HydrophobicContact CB-CG 3.84Å; V101-P120 HydrophobicContact CG2-CB 3.6Å; V101-P120 HydrophobicContact CG2-CG 3.66Å; L116-P120 HydrophobicContact CD2-CG 4.23Å; L116-P120 WeakPolarHBondContact O-CD 3.13Å; P120-V123 HydrophobicContact CG-CG2 4.19Å
121Q98.4Very high97.3Very high9 Ų941.6 Ų41.64%0.04220%0.199CC..SBendtrans-72.7-34179-64.384.3-10.100112.3V64 K67 G69 Q71 S72 V98 Q99V64-Q121 HydrophobicContact CB-CB 3.99Å; V64-Q121 HydrophobicContact CB-CG 4.49Å; V64-Q121 HydrophobicContact CG2-CB 4.25Å; K67-Q121 WeakPolarHBondContact O-CG 3.44Å; K67-Q121 PolarHBondContact O-NE2 3.39Å; G69-Q121 WeakPolarHBondContact O-CA 3.41Å; Q71-Q121 PolarHBondContact N-O 3.34Å; S72-Q121 PolarHBondContact N-O 3.18Å; S72-Q121 VanDerWaalsContact N-O 3.09Å; S72-Q121 PolarHBondContact OG-O 2.67Å; V98-Q121 HydrophobicContact CG1-CB 4.42Å; Q99-Q121 PolarHBondContact O-N 3.35Å; Q99-Q121 VanDerWaalsContact O-N 3.13Å
122I98.6Very high97.4Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-119.3128.8-178.4-50179.1000110.2L60 I61 V64 S72 I74 L89 V98 Q99 V100 V101 V124L60-I122 HydrophobicContact CD2-CD1 3.77Å; L60-I122 HydrophobicContact CD2-CG1 4.27Å; L60-I122 HydrophobicContact CD2-CG2 4.17Å; L60-I122 HydrophobicContact CG-CD1 4Å; I61-I122 HydrophobicContact CD1-CD1 3.71Å; V64-I122 HydrophobicContact CG2-CD1 4.03Å; V64-I122 HydrophobicContact CG2-CG1 4.11Å; S72-I122 WeakPolarHBondContact OG-CG1 3.12Å; S72-I122 WeakPolarHBondContact OG-CG2 3.37Å; I74-I122 HydrophobicContact CD1-CG2 4.18Å; I74-I122 HydrophobicContact CG1-CG2 4.36Å; L89-I122 HydrophobicContact CD1-CD1 4.44Å; L89-I122 HydrophobicContact CD1-CG2 4.07Å; V98-I122 HydrophobicContact CG1-CD1 3.91Å; V98-I122 HydrophobicContact CG1-CG1 4.18Å; Q99-I122 PolarHBondContact O-N 3.13Å; Q99-I122 VanDerWaalsContact O-N 3.14Å; V100-I122 WeakPolarHBondContact CA-O 3.37Å; V100-I122 HydrophobicContact CB-CB 4.47Å; V100-I122 HydrophobicContact CG1-CB 4.15Å; V100-I122 HydrophobicContact CG1-CG2 4.14Å; V100-I122 HydrophobicContact CG2-CB 4.19Å; V100-I122 HydrophobicContact CG2-CD1 4.13Å; V101-I122 PolarHBondContact N-O 3.4Å; I122-V124 HydrophobicContact CG2-CG2 4.04Å
123V98.6Very high97.5Very high0 Ų035.5 Ų35.50%018%0.18CC..EExtended strand (participates in β ladder)trans-113.6126169.5178.50000108.9V70 S72 L73 I74 V101 V103 L116 P120 L139V70-V123 HydrophobicContact CG1-CG2 3.81Å; V70-V123 HydrophobicContact CG2-CG2 4.18Å; S72-V123 PolarHBondContact O-N 3.47Å; L73-V123 CarbonylContact C-O 3.59Å; L73-V123 WeakPolarHBondContact CA-O 3.42Å; L73-V123 HydrophobicContact CD1-CB 4.13Å; L73-V123 HydrophobicContact CD1-CG1 3.92Å; I74-V123 PolarHBondContact N-O 2.96Å; V101-V123 CarbonylContact O-C 3.52Å; V101-V123 WeakPolarHBondContact O-CA 3.34Å; V103-V123 HydrophobicContact CG1-CG1 4.19Å; V103-V123 HydrophobicContact CG2-CG1 3.69Å; L116-V123 HydrophobicContact CD2-CG1 4.34Å; L116-V123 HydrophobicContact CD2-CG2 3.58Å; P120-V123 HydrophobicContact CG-CG2 4.19Å; V123-L139 HydrophobicContact CG2-CD1 4.05Å
124V98.6Very high97.5Very high0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-115130.6175.1-170.50000108.6I74 A82 V85 A86 L89 V100 V101 T102 V103 I122I74-V124 HydrophobicContact CB-CB 4.39Å; I74-V124 HydrophobicContact CB-CG1 4.08Å; I74-V124 HydrophobicContact CB-CG2 4.18Å; I74-V124 HydrophobicContact CD1-CG2 4.12Å; I74-V124 HydrophobicContact CG1-CG2 4.34Å; I74-V124 HydrophobicContact CG2-CG1 4.26Å; I74-V124 CarbonylContact O-C 3.31Å; I74-V124 WeakPolarHBondContact O-CA 3.48Å; A82-V124 HydrophobicContact CB-CG1 3.91Å; A82-V124 VanDerWaalsContact O-CG1 3.29Å; A82-V124 WeakPolarHBondContact O-CG1 3.46Å; V85-V124 HydrophobicContact CB-CG1 4.16Å; V85-V124 HydrophobicContact CG1-CG1 4.03Å; V85-V124 HydrophobicContact CG1-CG2 4.35Å; A86-V124 HydrophobicContact CB-CB 4.29Å; A86-V124 HydrophobicContact CB-CG2 4.05Å; L89-V124 HydrophobicContact CD1-CG2 4.01Å; V100-V124 HydrophobicContact CG1-CG2 3.96Å; V101-V124 PolarHBondContact O-N 2.81Å; T102-V124 CarbonylContact C-O 3.55Å; T102-V124 WeakPolarHBondContact CA-O 3.46Å; T102-V124 HydrophobicContact CG2-CB 4.43Å; V103-V124 PolarHBondContact N-O 3.23Å; I122-V124 HydrophobicContact CG2-CG2 4.04Å
125G98Very high97.5Very high0 Ų032.7 Ų32.70%017%0.172CC..EExtended strand (participates in β ladder)trans-164.3168.1-175.500000117.1I74 L75 A76 V103I74-G125 PolarHBondContact O-N 2.95Å; L75-G125 WeakPolarHBondContact CA-O 3.39Å; A76-G125 PolarHBondContact N-O 3.32Å; V103-G125 CarbonylContact O-C 3.51Å; V103-G125 WeakPolarHBondContact O-CA 3.44Å
126T97.2Very high97.5Very high18 Ų1838.4 Ų38.411%0.1119%0.188CC..  trans-86.8142173.656.70000110.4V103 F104 G128 R129 V130V103-T126 PolarHBondContact O-N 3.12Å; V103-T126 VanDerWaalsContact O-N 3.08Å; F104-T126 WeakPolarHBondContact CA-OG1 3.45Å; F104-T126 HydrophobicContact CB-CG2 3.85Å; F104-T126 WeakPolarHBondContact CB-OG1 3.44Å; T126-G128 PolarHBondContact O-N 3.01Å; T126-R129 PolarHBondContact O-N 2.81Å; T126-R129 VanDerWaalsContact O-N 3.15Å; T126-V130 PolarHBondContact O-N 3.09Å; T126-V130 VanDerWaalsContact O-N 3.14Å
127P97.5Very high97.4Very high0 Ų048.2 Ų48.20%022%0.224CC..Hα-helixtrans-49.8-53.2-171.5-30.435.8000114.7R129 V130 I131 M155 F160 D163 I167P127-R129 VanDerWaalsContact C-N 3.33Å; P127-R129 PolarHBondContact O-N 3.03Å; P127-V130 WeakPolarHBondContact O-CB 3.19Å; P127-V130 PolarHBondContact O-N 3.01Å; P127-V130 VanDerWaalsContact O-N 3.08Å; P127-I131 WeakPolarHBondContact O-CG1 3.17Å; P127-I131 PolarHBondContact O-N 2.99Å; P127-M155 HydrophobicContact CG-CG 4.47Å; P127-M155 HydrophobicContact CG-SD 3.76Å; P127-F160 HydrophobicContact CB-CB 4.15Å; P127-F160 HydrophobicContact CB-CD1 4.49Å; P127-F160 HydrophobicContact CB-CG 4.2Å; P127-F160 HydrophobicContact CG-CB 3.94Å; P127-F160 HydrophobicContact CG-CD2 4.01Å; P127-F160 HydrophobicContact CG-CG 4.01Å; P127-D163 HydrophobicContact CB-CB 3.74Å; P127-I167 HydrophobicContact CB-CD1 3.93Å
128G96.2Very high97.5Very high30 Ų3042 Ų4231%0.30920%0.2SC..Hα-helixtrans-56.5-40.7-17800000114.5T126 I131 D132T126-G128 PolarHBondContact O-N 3.01Å; G128-I131 PolarHBondContact O-N 2.85Å; G128-D132 PolarHBondContact O-N 3.13Å; G128-D132 VanDerWaalsContact O-N 3.13Å
129R97.6Very high97.6Very high37 Ų3735 Ų3514%0.1417%0.17CC..Hα-helixtrans-74.1-34.3177.8-179.962.878.8-159.111.9112.5V103 F104 M107 Q112 T126 P127 I131 D132 H133V103-R129 HydrophobicContact CB-CG 4.07Å; F104-R129 PolarHBondContact O-NE 3.33Å; M107-R129 PolarHBondContact O-NH2 2.79Å; Q112-R129 VanDerWaalsContact OE1-CG 3.26Å; T126-R129 PolarHBondContact O-N 2.81Å; T126-R129 VanDerWaalsContact O-N 3.15Å; P127-R129 VanDerWaalsContact C-N 3.33Å; P127-R129 PolarHBondContact O-N 3.03Å; R129-I131 VanDerWaalsContact C-N 3.28Å; R129-D132 IonicContact CZ-OD2 2.82Å; R129-D132 IonicContact NH1-OD2 3.64Å; R129-D132 PolarHBondContact NH1-OD2 3.41Å; R129-D132 WeakPolarHBondContact O-CB 3.44Å; R129-D132 PolarHBondContact O-N 3.34Å; R129-H133 PolarHBondContact O-CD2 2.93Å; R129-H133 VanDerWaalsContact O-CD2 3.31Å; R129-H133 PolarHBondContact O-N 3.37Å; R129-H133 VanDerWaalsContact O-N 3.12Å
130V98.5Very high97.5Very high0 Ų041.5 Ų41.50%019%0.193CC..Hα-helixtrans-60.4-44.7173.31710000109.4L73 L75 V103 T126 P127 D132 H133 L134 L139 I167L73-V130 HydrophobicContact CD1-CG1 4.33Å; L73-V130 HydrophobicContact CD1-CG2 4.15Å; L73-V130 HydrophobicContact CD2-CG1 3.93Å; L75-V130 HydrophobicContact CD2-CB 4.34Å; L75-V130 HydrophobicContact CD2-CG1 4.36Å; L75-V130 HydrophobicContact CD2-CG2 3.88Å; V103-V130 HydrophobicContact CG2-CG2 3.75Å; T126-V130 PolarHBondContact O-N 3.09Å; T126-V130 VanDerWaalsContact O-N 3.14Å; P127-V130 WeakPolarHBondContact O-CB 3.19Å; P127-V130 PolarHBondContact O-N 3.01Å; P127-V130 VanDerWaalsContact O-N 3.08Å; V130-D132 VanDerWaalsContact C-N 3.34Å; V130-D132 PolarHBondContact O-N 2.67Å; V130-H133 PolarHBondContact O-N 3.18Å; V130-H133 VanDerWaalsContact O-N 3.08Å; V130-L134 HydrophobicContact CG1-CD1 4Å; V130-L134 HydrophobicContact CG1-CG 4.28Å; V130-L134 WeakPolarHBondContact O-CG 3.29Å; V130-L134 PolarHBondContact O-N 2.91Å; V130-L139 HydrophobicContact CG1-CD2 4.1Å; V130-I167 HydrophobicContact CB-CD1 4.06Å; V130-I167 HydrophobicContact CG1-CD1 3.91Å; V130-I167 HydrophobicContact CG1-CG1 4.04Å; V130-I167 HydrophobicContact CG1-CG2 4.15Å
131I98.3Very high97.4Very high22 Ų2242.5 Ų42.511%0.11320%0.199CC..Hα-helixtrans-58.3-44.3175.9-67.9175.2000111.6P127 G128 R129 H133 L134 N135 D163 F166 I167P127-I131 WeakPolarHBondContact O-CG1 3.17Å; P127-I131 PolarHBondContact O-N 2.99Å; G128-I131 PolarHBondContact O-N 2.85Å; R129-I131 VanDerWaalsContact C-N 3.28Å; I131-H133 VanDerWaalsContact C-N 3.28Å; I131-H133 PolarHBondContact O-N 3.19Å; I131-L134 PolarHBondContact O-N 3.27Å; I131-N135 WeakPolarHBondContact CG2-ND2 3.4Å; I131-N135 WeakPolarHBondContact O-CB 3.37Å; I131-N135 PolarHBondContact O-N 2.9Å; I131-N135 PolarHBondContact O-ND2 3.21Å; I131-D163 HydrophobicContact CD1-CB 3.55Å; I131-D163 VanDerWaalsContact CD1-CG 3.5Å; I131-F166 HydrophobicContact CB-CE1 4.46Å; I131-F166 HydrophobicContact CD1-CD1 4Å; I131-F166 HydrophobicContact CG1-CD1 3.75Å; I131-F166 HydrophobicContact CG1-CE1 4.1Å; I131-F166 HydrophobicContact CG2-CD1 4.28Å; I131-F166 HydrophobicContact CG2-CE1 3.93Å; I131-I167 HydrophobicContact CD1-CD1 4.4Å; I131-I167 HydrophobicContact CD1-CG1 4.31Å; I131-I167 HydrophobicContact CG1-CD1 4Å; I131-I167 HydrophobicContact CG1-CG1 3.73Å
132D97.9Very high97.1Very high62 Ų6248.5 Ų48.533%0.33223%0.232SC..Hα-helixtrans-54.9-46174.1-73.3-17.3000111.8I109 G128 R129 V130 R136I109-D132 HydrophobicContact CD1-CB 4.01Å; G128-D132 PolarHBondContact O-N 3.13Å; G128-D132 VanDerWaalsContact O-N 3.13Å; R129-D132 IonicContact CZ-OD2 2.82Å; R129-D132 IonicContact NH1-OD2 3.64Å; R129-D132 PolarHBondContact NH1-OD2 3.41Å; R129-D132 WeakPolarHBondContact O-CB 3.44Å; R129-D132 PolarHBondContact O-N 3.34Å; V130-D132 VanDerWaalsContact C-N 3.34Å; V130-D132 PolarHBondContact O-N 2.67Å; D132-R136 VanDerWaalsContact O-CB 3.32Å; D132-R136 WeakPolarHBondContact O-CB 3.35Å; D132-R136 VanDerWaalsContact O-CG 3.25Å; D132-R136 WeakPolarHBondContact O-CG 3.45Å; D132-R136 PolarHBondContact O-N 3.22Å
133H98.5Very high96.8Very high0 Ų050.3 Ų50.30%025%0.25CC..Hα-helixtrans-67.3-37.2-179.6-82.6-67000112.9Q112 L116 R129 V130 I131 R137 T138 L139Q112-H133 WeakPolarHBondContact CB-NE2 3.33Å; Q112-H133 PolarHBondContact OE1-NE2 3.48Å; Q112-H133 VanDerWaalsContact OE1-NE2 3.16Å; L116-H133 HydrophobicContact CD1-CB 4.43Å; L116-H133 WeakPolarHBondContact CD1-ND1 3.38Å; R129-H133 PolarHBondContact O-CD2 2.93Å; R129-H133 VanDerWaalsContact O-CD2 3.31Å; R129-H133 PolarHBondContact O-N 3.37Å; R129-H133 VanDerWaalsContact O-N 3.12Å; V130-H133 PolarHBondContact O-N 3.18Å; V130-H133 VanDerWaalsContact O-N 3.08Å; I131-H133 VanDerWaalsContact C-N 3.28Å; I131-H133 PolarHBondContact O-N 3.19Å; H133-R137 PolarHBondContact O-N 3.41Å; H133-R137 VanDerWaalsContact O-N 3.13Å; H133-T138 WeakPolarHBondContact CA-OG1 3.41Å; H133-T138 PolarHBondContact ND1-OG1 3.48Å; H133-T138 PolarHBondContact O-N 3.1Å; H133-T138 PolarHBondContact O-OG1 3.1Å; H133-T138 VanDerWaalsContact O-OG1 3.09Å; H133-L139 HydrophobicContact CB-CB 3.78Å; H133-L139 PolarHBondContact O-N 3.12Å
134L97.6Very high96.7Very high19 Ų1950.6 Ų50.610%0.09925%0.251CS..Hα-helixtrans-65.4-49174.8-68.2174.3000111.1V130 I131 R136 R137 L139 T141 F166 I167 K170V130-L134 HydrophobicContact CG1-CD1 4Å; V130-L134 HydrophobicContact CG1-CG 4.28Å; V130-L134 WeakPolarHBondContact O-CG 3.29Å; V130-L134 PolarHBondContact O-N 2.91Å; I131-L134 PolarHBondContact O-N 3.27Å; L134-R136 VanDerWaalsContact C-N 3.29Å; L134-R136 PolarHBondContact O-N 3.4Å; L134-R137 WeakPolarHBondContact O-CA 3.29Å; L134-R137 PolarHBondContact O-N 3.34Å; L134-L139 HydrophobicContact CD2-CB 4.37Å; L134-L139 HydrophobicContact CD2-CD2 4.07Å; L134-L139 HydrophobicContact CD2-CG 4.24Å; L134-L139 HydrophobicContact CG-CD2 4.46Å; L134-T141 HydrophobicContact CD2-CG2 3.28Å; L134-F166 HydrophobicContact CD1-CE1 4.41Å; L134-I167 HydrophobicContact CD1-CG1 4.12Å; L134-I167 HydrophobicContact CD1-CG2 4.42Å; L134-K170 HydrophobicContact CD1-CB 4.14Å; L134-K170 HydrophobicContact CD1-CG 4.32Å
135N97.1Very high96.6Very high103 Ų10352.9 Ų52.955%0.55126%0.262SS*.Hα-helixtrans-62.6-37.3179.4-73.4-21.4000112I131 R137I131-N135 WeakPolarHBondContact CG2-ND2 3.4Å; I131-N135 WeakPolarHBondContact O-CB 3.37Å; I131-N135 PolarHBondContact O-N 2.9Å; I131-N135 PolarHBondContact O-ND2 3.21Å; N135-R137 PolarHBondContact O-N 3.22Å
136R97.2Very high96.6Very high149 Ų14952.9 Ų52.956%0.56226%0.262SS*.THydrogen-bonded Turntrans-77.8-4.8173.9-69.3171.6176.7-103.31.9113.9D132 L134 T138D132-R136 VanDerWaalsContact O-CB 3.32Å; D132-R136 WeakPolarHBondContact O-CB 3.35Å; D132-R136 VanDerWaalsContact O-CG 3.25Å; D132-R136 WeakPolarHBondContact O-CG 3.45Å; D132-R136 PolarHBondContact O-N 3.22Å; L134-R136 VanDerWaalsContact C-N 3.29Å; L134-R136 PolarHBondContact O-N 3.4Å; R136-T138 HydrophobicContact CB-CG2 4.01Å; R136-T138 PolarHBondContact O-N 2.92Å
137R96.2Very high96.6Very high217 Ų21752 Ų5282%0.81926%0.257SS*.THydrogen-bonded Turntrans56.930.7-175.7-51.3179.7-178.2-173.8-0.9113.6H133 L134 N135H133-R137 PolarHBondContact O-N 3.41Å; H133-R137 VanDerWaalsContact O-N 3.13Å; L134-R137 WeakPolarHBondContact O-CA 3.29Å; L134-R137 PolarHBondContact O-N 3.34Å; N135-R137 PolarHBondContact O-N 3.22Å
138T97.2Very high96.7Very high42 Ų4252 Ų5226%0.25826%0.257SS..  trans-95.3-21.1178.854.20000112.6I113 H133 R136I113-T138 HydrophobicContact CD1-CG2 3.99Å; I113-T138 HydrophobicContact CG1-CG2 3.9Å; I113-T138 HydrophobicContact CG2-CG2 4.09Å; H133-T138 WeakPolarHBondContact CA-OG1 3.41Å; H133-T138 PolarHBondContact ND1-OG1 3.48Å; H133-T138 PolarHBondContact O-N 3.1Å; H133-T138 PolarHBondContact O-OG1 3.1Å; H133-T138 VanDerWaalsContact O-OG1 3.09Å; R136-T138 HydrophobicContact CB-CG2 4.01Å; R136-T138 PolarHBondContact O-N 2.92Å
139L97.6Very high96.8Very high7 Ų750.6 Ų50.64%0.03724%0.242CC..SBendtrans-103.6112.2163.2177.463.2000107.9V70 L73 L116 V123 V130 H133 L134V70-L139 HydrophobicContact CG1-CD1 4.09Å; V70-L139 HydrophobicContact CG2-CD1 4.15Å; L73-L139 HydrophobicContact CD1-CD2 4.4Å; L116-L139 HydrophobicContact CD1-CB 4.32Å; L116-L139 HydrophobicContact CD2-CD1 4.2Å; V123-L139 HydrophobicContact CG2-CD1 4.05Å; V130-L139 HydrophobicContact CG1-CD2 4.1Å; H133-L139 HydrophobicContact CB-CB 3.78Å; H133-L139 PolarHBondContact O-N 3.12Å; L134-L139 HydrophobicContact CD2-CB 4.37Å; L134-L139 HydrophobicContact CD2-CD2 4.07Å; L134-L139 HydrophobicContact CD2-CG 4.24Å; L134-L139 HydrophobicContact CG-CD2 4.46Å
140K93.5Very high96.7Very high157 Ų15749 Ų4968%0.68324%0.236SC*.  trans-85.9131.3175.1-62.9-176.7178.9-1770109.1
141T94.5Very high96.4Very high20 Ų2050.5 Ų50.512%0.12324%0.243CC..  trans-100.5-9.2-175.854.60000113.8L134 G143 I144 K170 I171L134-T141 HydrophobicContact CD2-CG2 3.28Å; T141-G143 PolarHBondContact O-N 3.41Å; T141-I144 HydrophobicContact CG2-CD1 4.06Å; T141-I144 WeakPolarHBondContact O-CB 3.33Å; T141-I144 PolarHBondContact O-N 3.29Å; T141-K170 WeakPolarHBondContact CB-O 3.4Å; T141-K170 PolarHBondContact OG1-O 3.29Å; T141-I171 HydrophobicContact CG2-CG1 4.08Å
142D92.1Very high96.1Very high136 Ų13649.4 Ų49.473%0.72724%0.238SC*.THydrogen-bonded Turntrans-59.4-32.9-173.8-51.7-72.5000113.3
143G93.3Very high95.6Very high37 Ų3746.8 Ų46.838%0.38122%0.224SC..THydrogen-bonded Turntrans-90.5-3.5177.700000114.7V70 T141 H145V70-G143 CarbonylContact O-C 3.54Å; V70-G143 VanDerWaalsContact O-C 3.31Å; T141-G143 PolarHBondContact O-N 3.41Å; G143-H145 PolarHBondContact O-N 3.23Å
144I96.2Very high95Very high6 Ų647.6 Ų47.63%0.03123%0.227CC..  trans-80.3108.9-175.3-60-178.8000109.4V70 Q71 L73 T141 I171V70-I144 HydrophobicContact CB-CG1 4.47Å; V70-I144 HydrophobicContact CG1-CD1 3.93Å; V70-I144 HydrophobicContact CG1-CG1 3.85Å; Q71-I144 WeakPolarHBondContact O-CA 3.27Å; L73-I144 HydrophobicContact CB-CD1 4.26Å; L73-I144 HydrophobicContact CB-CG2 4.34Å; T141-I144 HydrophobicContact CG2-CD1 4.06Å; T141-I144 WeakPolarHBondContact O-CB 3.33Å; T141-I144 PolarHBondContact O-N 3.29Å; I144-I171 HydrophobicContact CB-CG2 4.09Å; I144-I171 HydrophobicContact CG2-CD1 4.36Å; I144-I171 HydrophobicContact CG2-CG2 3.89Å
145H95.8Very high94.7Very high49 Ų4946.7 Ų46.723%0.22722%0.223CC..  trans-106.3-11.7177.262.967.8000113.2Q71 G143 R176 Q177Q71-H145 PolarHBondContact O-N 2.96Å; Q71-H145 PolarHBondContact OE1-CD2 3.45Å; Q71-H145 PolarHBondContact OE1-NE2 3.49Å; G143-H145 PolarHBondContact O-N 3.23Å; H145-R176 CarbonylContact O-C 3.5Å; H145-R176 WeakPolarHBondContact O-CA 3.44Å; H145-Q177 PolarHBondContact O-N 3.23Å
146T98.2Very high94.3Very high0 Ų043.5 Ų43.50%021%0.205CC..EExtended strand (participates in β ladder)trans-125.7123.2176.7-54.60000110.9L60 Q71 S72 L73 I148 Q177 M179L60-T146 HydrophobicContact CD1-CG2 4.08Å; Q71-T146 PolarHBondContact O-N 3.01Å; S72-T146 WeakPolarHBondContact CA-O 3.41Å; L73-T146 PolarHBondContact N-O 2.74Å; T146-I148 HydrophobicContact CG2-CD1 4.2Å; T146-I148 HydrophobicContact CG2-CG1 4.24Å; T146-Q177 WeakPolarHBondContact CA-O 3.41Å; T146-M179 HydrophobicContact CG2-CE 3.62Å
147L98.4Very high93.5Very high0 Ų040.1 Ų40.10%020%0.198CC..EExtended strand (participates in β ladder)trans-114.9129.1171.7177.164.4000109.9L73 L75 L149 M168 I171 R176 Q177 T178 M179L73-L147 HydrophobicContact CB-CD1 4.07Å; L73-L147 HydrophobicContact CD2-CD1 4Å; L73-L147 HydrophobicContact CG-CD1 4.1Å; L73-L147 WeakPolarHBondContact O-CA 3.48Å; L75-L147 HydrophobicContact CG-CD1 4.45Å; L147-L149 HydrophobicContact CD2-CD1 4.05Å; L147-L149 HydrophobicContact CG-CD1 3.93Å; L147-M168 HydrophobicContact CD2-CB 4.47Å; L147-M168 HydrophobicContact CD2-CE 4.08Å; L147-M168 HydrophobicContact CD2-CG 3.6Å; L147-I171 HydrophobicContact CD1-CD1 3.87Å; L147-I171 HydrophobicContact CD2-CD1 4.15Å; L147-I171 HydrophobicContact CG-CD1 4.41Å; L147-R176 HydrophobicContact CB-CG 4.26Å; L147-Q177 PolarHBondContact N-O 3.08Å; L147-T178 CarbonylContact O-C 3.57Å; L147-T178 WeakPolarHBondContact O-CA 3.41Å; L147-M179 PolarHBondContact O-N 2.94Å
148I98.5Very high93.1Very high0 Ų033 Ų330%017%0.174CC..EExtended strand (participates in β ladder)trans-119.5135.7175.3-63.9149.4000109.5F56 L60 L73 I74 L75 T146 M179 F181F56-I148 HydrophobicContact CB-CD1 4.15Å; F56-I148 HydrophobicContact CB-CG1 4.37Å; F56-I148 HydrophobicContact CB-CG2 4.39Å; F56-I148 HydrophobicContact CD1-CG2 4.09Å; F56-I148 HydrophobicContact CD2-CD1 3.78Å; F56-I148 HydrophobicContact CD2-CG1 4.5Å; F56-I148 HydrophobicContact CD2-CG2 4.03Å; F56-I148 HydrophobicContact CE1-CG2 4.31Å; F56-I148 HydrophobicContact CE2-CG2 4.3Å; F56-I148 HydrophobicContact CG-CD1 4.24Å; F56-I148 HydrophobicContact CG-CG2 3.93Å; F56-I148 HydrophobicContact CZ-CG2 4.41Å; L60-I148 HydrophobicContact CD2-CD1 3.82Å; L73-I148 PolarHBondContact O-N 3.19Å; I74-I148 CarbonylContact C-O 3.57Å; I74-I148 WeakPolarHBondContact CA-O 3.37Å; I74-I148 HydrophobicContact CB-CB 4.33Å; I74-I148 HydrophobicContact CD1-CD1 3.88Å; I74-I148 HydrophobicContact CG1-CB 4.08Å; I74-I148 HydrophobicContact CG1-CD1 3.86Å; I74-I148 HydrophobicContact CG2-CB 4.03Å; I74-I148 HydrophobicContact CG2-CG2 3.94Å; L75-I148 PolarHBondContact N-O 2.93Å; T146-I148 HydrophobicContact CG2-CD1 4.2Å; T146-I148 HydrophobicContact CG2-CG1 4.24Å; I148-M179 CarbonylContact C-O 3.58Å; I148-M179 VanDerWaalsContact CA-O 3.27Å; I148-M179 WeakPolarHBondContact CA-O 3.42Å; I148-M179 HydrophobicContact CD1-CE 3.81Å; I148-M179 HydrophobicContact CG1-CB 4.2Å; I148-M179 HydrophobicContact CG1-CE 3.65Å; I148-F181 HydrophobicContact CG2-CD2 4.42Å
149L98.1Very high92.4Very high0 Ų033.4 Ų33.40%019%0.188CC..EExtended strand (participates in β ladder)trans-117.7107.5172.1-61.887.7000107.5L147 A152 M155 M164 M168 T178 M179 L180 F181L147-L149 HydrophobicContact CD2-CD1 4.05Å; L147-L149 HydrophobicContact CG-CD1 3.93Å; L149-A152 HydrophobicContact CB-CB 4.42Å; L149-M155 HydrophobicContact CB-CE 4.07Å; L149-M164 HydrophobicContact CD2-CB 4.45Å; L149-M164 HydrophobicContact CD2-CG 4.29Å; L149-M164 HydrophobicContact CD2-SD 3.77Å; L149-M168 HydrophobicContact CD1-CE 4.01Å; L149-M168 HydrophobicContact CD2-CE 4.45Å; L149-M168 HydrophobicContact CD2-SD 4.19Å; L149-T178 HydrophobicContact CD1-CG2 3.85Å; L149-M179 PolarHBondContact N-O 3.36Å; L149-L180 HydrophobicContact CB-CG 4.2Å; L149-L180 HydrophobicContact CD2-CD1 4.44Å; L149-F181 PolarHBondContact O-N 3.38Å
150D95.8Very high92.2Very high4 Ų435.3 Ų35.32%0.02120%0.196CC..SBendtrans-101.1138.1178.6-167.218.2000110.8F56 L75 P77 A152 M155F56-D150 HydrophobicContact CE1-CB 4.31Å; F56-D150 HydrophobicContact CZ-CB 4.46Å; L75-D150 PolarHBondContact O-N 2.83Å; P77-D150 WeakPolarHBondContact CD-O 3.36Å; D150-A152 PolarHBondContact O-N 2.97Å; D150-M155 VanDerWaalsContact O-CE 3.28Å; D150-M155 WeakPolarHBondContact O-CE 3.35Å
151E91.7Very high92.2Very high30 Ų3029.1 Ų29.114%0.1417%0.17CC..SBendtrans49.653.8-172.2-59.6-169.3172.500112.3P77 L81 D153 E154 M155 F181P77-E151 HydrophobicContact CG-CB 3.83Å; L81-E151 HydrophobicContact CD2-CB 4.18Å; L81-E151 HydrophobicContact CD2-CG 3.84Å; L81-E151 WeakPolarHBondContact CD2-OE2 3.17Å; E151-D153 VanDerWaalsContact C-N 3.31Å; E151-D153 PolarHBondContact O-N 2.84Å; E151-E154 HydrophobicContact CB-CB 4.09Å; E151-E154 HydrophobicContact CB-CG 4.2Å; E151-E154 WeakPolarHBondContact O-CB 3.35Å; E151-E154 PolarHBondContact O-N 3.25Å; E151-E154 VanDerWaalsContact O-N 3.1Å; E151-M155 PolarHBondContact O-N 3.25Å; E151-M155 VanDerWaalsContact O-N 3.07Å; E151-F181 PolarHBondContact N-O 2.62Å; E151-F181 VanDerWaalsContact N-O 3.1Å
152A93.6Very high92.1Very high0 Ų032.9 Ų32.90%019%0.189CC..Hα-helixtrans-63-33.9-173.300000114L149 D150 M155 M156 L180 F181 I189L149-A152 HydrophobicContact CB-CB 4.42Å; D150-A152 PolarHBondContact O-N 2.97Å; A152-M155 HydrophobicContact CB-CE 4.35Å; A152-M155 PolarHBondContact O-N 3.37Å; A152-M156 PolarHBondContact O-N 2.97Å; A152-L180 HydrophobicContact CB-CD1 4.19Å; A152-L180 HydrophobicContact CB-CD2 3.83Å; A152-L180 HydrophobicContact CB-CG 3.9Å; A152-F181 PolarHBondContact N-O 2.97Å; A152-F181 VanDerWaalsContact N-O 3.1Å; A152-I189 HydrophobicContact CB-CD1 3.86Å; A152-I189 WeakPolarHBondContact O-CD1 3.38Å
153D87.4Confident92.3Very high7 Ų728.7 Ų28.74%0.03717%0.167CC..Hα-helixtrans-63-41172.545.7-24.6000112.2E151 M156 N157 S182 A183 T184E151-D153 VanDerWaalsContact C-N 3.31Å; E151-D153 PolarHBondContact O-N 2.84Å; D153-M156 WeakPolarHBondContact O-CB 3.45Å; D153-M156 PolarHBondContact O-N 2.85Å; D153-N157 WeakPolarHBondContact O-CB 3.33Å; D153-N157 VanDerWaalsContact O-CG 3.24Å; D153-N157 PolarHBondContact O-N 3.03Å; D153-N157 PolarHBondContact O-ND2 2.94Å; D153-S182 VanDerWaalsContact CB-OG 3.24Å; D153-S182 WeakPolarHBondContact CB-OG 3.45Å; D153-S182 PolarHBondContact N-OG 3.27Å; D153-S182 PolarHBondContact OD1-OG 2.86Å; D153-S182 PolarHBondContact OD2-OG 3.31Å; D153-A183 PolarHBondContact OD1-N 3Å; D153-A183 PolarHBondContact OD2-N 3.28Å; D153-T184 WeakPolarHBondContact CB-OG1 3.45Å; D153-T184 WeakPolarHBondContact OD2-CB 3.25Å; D153-T184 PolarHBondContact OD2-N 3.14Å; D153-T184 PolarHBondContact OD2-OG1 2.92Å
154E86Confident92.5Very high17 Ų1727 Ų278%0.07915%0.149CC..Hα-helixtrans-63.7-43.6173.1-72.1-58.8112.900111.8P77 E151 M156 N157 M158 H326P77-E154 HydrophobicContact CB-CB 4Å; P77-E154 HydrophobicContact CG-CB 3.98Å; E151-E154 HydrophobicContact CB-CB 4.09Å; E151-E154 HydrophobicContact CB-CG 4.2Å; E151-E154 WeakPolarHBondContact O-CB 3.35Å; E151-E154 PolarHBondContact O-N 3.25Å; E151-E154 VanDerWaalsContact O-N 3.1Å; E154-M156 VanDerWaalsContact C-N 3.29Å; E154-M156 PolarHBondContact O-N 2.91Å; E154-N157 PolarHBondContact O-N 3.33Å; E154-M158 WeakPolarHBondContact O-CB 3.47Å; E154-M158 VanDerWaalsContact O-CG 3.31Å; E154-M158 WeakPolarHBondContact O-CG 3.24Å; E154-M158 PolarHBondContact O-N 3.4Å; E154-H326 IonicContact OE1-CE1 3.8Å; E154-H326 PolarHBondContact OE1-CE1 2.8Å; E154-H326 IonicContact OE1-NE2 2.93Å; E154-H326 IonicContact OE2-CE1 2.62Å
155M90.8Very high92.5Very high0 Ų030.2 Ų30.20%016%0.161CC..Hα-helixtrans-57.8-43.2174-79.5-171.7-72.200111.7L75 P77 P127 L149 D150 E151 A152 M158 G159 F160 M164L75-M155 HydrophobicContact CB-CE 4.16Å; L75-M155 HydrophobicContact CB-SD 3.93Å; P77-M155 VanDerWaalsContact CA-CG 3.48Å; P77-M155 HydrophobicContact CB-CG 3.71Å; P77-M155 HydrophobicContact CG-CG 4.36Å; P127-M155 HydrophobicContact CG-CG 4.47Å; P127-M155 HydrophobicContact CG-SD 3.76Å; L149-M155 HydrophobicContact CB-CE 4.07Å; D150-M155 VanDerWaalsContact O-CE 3.28Å; D150-M155 WeakPolarHBondContact O-CE 3.35Å; E151-M155 PolarHBondContact O-N 3.25Å; E151-M155 VanDerWaalsContact O-N 3.07Å; A152-M155 HydrophobicContact CB-CE 4.35Å; A152-M155 PolarHBondContact O-N 3.37Å; M155-M158 PolarHBondContact O-N 3.19Å; M155-G159 PolarHBondContact O-N 2.85Å; M155-F160 HydrophobicContact CB-CB 4.29Å; M155-F160 HydrophobicContact CB-CD2 4.41Å; M155-F160 HydrophobicContact CG-CD2 4.36Å; M155-F160 WeakPolarHBondContact O-CB 3.44Å; M155-F160 PolarHBondContact O-N 3.39Å; M155-M164 HydrophobicContact CB-CE 3.79Å; M155-M164 HydrophobicContact CB-SD 3.73Å; M155-M164 HydrophobicContact CE-SD 3.63Å; M155-M164 HydrophobicContact CG-SD 4.4Å; M155-M164 HydrophobicContact SD-CG 4.26Å; M155-M164 HydrophobicContact SD-SD 3.89Å
156M88.6Confident92.6Very high35 Ų3531 Ų3117%0.17216%0.164CC..Hα-helixtrans-62.9-46175.7179.2-154.767.100111.5A152 D153 E154 M158 G159 I161 M164 P186 A188 I189A152-M156 PolarHBondContact O-N 2.97Å; D153-M156 WeakPolarHBondContact O-CB 3.45Å; D153-M156 PolarHBondContact O-N 2.85Å; E154-M156 VanDerWaalsContact C-N 3.29Å; E154-M156 PolarHBondContact O-N 2.91Å; M156-M158 PolarHBondContact O-N 3.21Å; M156-G159 WeakPolarHBondContact O-CA 3.41Å; M156-G159 PolarHBondContact O-N 3.46Å; M156-I161 HydrophobicContact CG-CB 4.31Å; M156-I161 HydrophobicContact CG-CD1 4.34Å; M156-M164 HydrophobicContact CB-CE 4.39Å; M156-P186 HydrophobicContact CE-CB 3.95Å; M156-P186 HydrophobicContact CE-CG 3.41Å; M156-P186 VanDerWaalsContact CE-CG 3.41Å; M156-P186 HydrophobicContact SD-CB 3.98Å; M156-P186 HydrophobicContact SD-CG 3.47Å; M156-P186 WeakPolarHBondContact SD-CG 3.38Å; M156-A188 HydrophobicContact CG-CB 4.28Å; M156-A188 HydrophobicContact SD-CB 3.73Å; M156-I189 HydrophobicContact CB-CD1 4.12Å; M156-I189 HydrophobicContact SD-CG1 4.21Å
157N80.8Confident92.6Very high78 Ų7831 Ų3142%0.41716%0.164SC..Hα-helixtrans-61.8-29.6177.9-73.5-17.5000112.4D153 E154 G159 E322D153-N157 WeakPolarHBondContact O-CB 3.33Å; D153-N157 VanDerWaalsContact O-CG 3.24Å; D153-N157 PolarHBondContact O-N 3.03Å; D153-N157 PolarHBondContact O-ND2 2.94Å; E154-N157 PolarHBondContact O-N 3.33Å; N157-G159 PolarHBondContact O-N 2.9Å; N157-E322 PolarHBondContact ND2-OE1 3.42Å
158M86.3Confident92.5Very high67 Ų6731.1 Ų31.133%0.3316%0.164SC..THydrogen-bonded Turntrans-811173.3-68-179.269.900113.9P77 T78 E154 M155 M156 F160P77-M158 HydrophobicContact CB-SD 3.88Å; T78-M158 HydrophobicContact CG2-SD 4.33Å; E154-M158 WeakPolarHBondContact O-CB 3.47Å; E154-M158 VanDerWaalsContact O-CG 3.31Å; E154-M158 WeakPolarHBondContact O-CG 3.24Å; E154-M158 PolarHBondContact O-N 3.4Å; M155-M158 PolarHBondContact O-N 3.19Å; M156-M158 PolarHBondContact O-N 3.21Å; M158-F160 HydrophobicContact CB-CD2 3.84Å; M158-F160 HydrophobicContact CB-CE2 3.77Å; M158-F160 HydrophobicContact CB-CZ 4.39Å; M158-F160 HydrophobicContact CE-CE2 3.83Å; M158-F160 HydrophobicContact CE-CZ 4.24Å; M158-F160 HydrophobicContact SD-CE2 4.22Å
159G84.4Confident92.3Very high52 Ų5236.4 Ų36.454%0.53619%0.192SC..THydrogen-bonded Turntrans84.310178.900000114.6M155 M156 N157 I161M155-G159 PolarHBondContact O-N 2.85Å; M156-G159 WeakPolarHBondContact O-CA 3.41Å; M156-G159 PolarHBondContact O-N 3.46Å; N157-G159 PolarHBondContact O-N 2.9Å; G159-I161 PolarHBondContact O-N 3.1Å
160F93Very high92.2Very high46 Ų4641.5 Ų41.520%0.20221%0.214CC..THydrogen-bonded Turntrans-84.114.8-179.2-57.5-43.1000113.9P127 M155 M158 D162 D163 M164P127-F160 HydrophobicContact CB-CB 4.15Å; P127-F160 HydrophobicContact CB-CD1 4.49Å; P127-F160 HydrophobicContact CB-CG 4.2Å; P127-F160 HydrophobicContact CG-CB 3.94Å; P127-F160 HydrophobicContact CG-CD2 4.01Å; P127-F160 HydrophobicContact CG-CG 4.01Å; M155-F160 HydrophobicContact CB-CB 4.29Å; M155-F160 HydrophobicContact CB-CD2 4.41Å; M155-F160 HydrophobicContact CG-CD2 4.36Å; M155-F160 WeakPolarHBondContact O-CB 3.44Å; M155-F160 PolarHBondContact O-N 3.39Å; M158-F160 HydrophobicContact CB-CD2 3.84Å; M158-F160 HydrophobicContact CB-CE2 3.77Å; M158-F160 HydrophobicContact CB-CZ 4.39Å; M158-F160 HydrophobicContact CE-CE2 3.83Å; M158-F160 HydrophobicContact CE-CZ 4.24Å; M158-F160 HydrophobicContact SD-CE2 4.22Å; F160-D162 VanDerWaalsContact C-N 3.35Å; F160-D162 PolarHBondContact O-N 3.15Å; F160-D163 HydrophobicContact CB-CB 4.22Å; F160-D163 WeakPolarHBondContact CD1-OD2 3.46Å; F160-D163 PolarHBondContact O-N 3.34Å; F160-M164 WeakPolarHBondContact O-CG 3.2Å; F160-M164 PolarHBondContact O-N 2.74Å
161I93.8Very high92.1Very high27 Ų2741.4 Ų41.414%0.13821%0.214CC..Hα-helixtrans-60.3-43.8-177.6-171.559.4000112.4M156 G159 M164 R165 A188 L192M156-I161 HydrophobicContact CG-CB 4.31Å; M156-I161 HydrophobicContact CG-CD1 4.34Å; G159-I161 PolarHBondContact O-N 3.1Å; I161-M164 HydrophobicContact CD1-CE 3.86Å; I161-R165 WeakPolarHBondContact O-CG 3.42Å; I161-R165 PolarHBondContact O-N 3.39Å; I161-A188 HydrophobicContact CD1-CB 4.06Å; I161-A188 HydrophobicContact CG1-CB 4.17Å; I161-L192 HydrophobicContact CD1-CD1 3.57Å; I161-L192 HydrophobicContact CD1-CD2 4.42Å; I161-L192 HydrophobicContact CD1-CG 3.85Å
162D91.4Very high92.1Very high99 Ų9943 Ų4353%0.52923%0.227SC..Hα-helixtrans-77.2-30.9179.3-64.4-38.7000111.8F160 R165 F166F160-D162 VanDerWaalsContact C-N 3.35Å; F160-D162 PolarHBondContact O-N 3.15Å; D162-R165 PolarHBondContact O-N 2.94Å; D162-R165 IonicContact OD1-NH1 3.83Å; D162-R165 PolarHBondContact OD1-NH1 3.19Å; D162-F166 WeakPolarHBondContact O-CB 3.24Å; D162-F166 PolarHBondContact O-N 2.95Å
163D96.6Very high91.7Very high49 Ų4945.7 Ų45.726%0.26225%0.249SC..Hα-helixtrans-62.1-44171.4-72.9-2.3000111.3P127 I131 F160 F166 I167P127-D163 HydrophobicContact CB-CB 3.74Å; I131-D163 HydrophobicContact CD1-CB 3.55Å; I131-D163 VanDerWaalsContact CD1-CG 3.5Å; F160-D163 HydrophobicContact CB-CB 4.22Å; F160-D163 WeakPolarHBondContact CD1-OD2 3.46Å; F160-D163 PolarHBondContact O-N 3.34Å; D163-F166 PolarHBondContact O-N 3.27Å; D163-I167 WeakPolarHBondContact O-CD1 3.28Å; D163-I167 VanDerWaalsContact O-CG1 3.24Å; D163-I167 WeakPolarHBondContact O-CG1 3.42Å; D163-I167 PolarHBondContact O-N 3.32Å
164M97.7Very high91.7Very high0 Ų051.6 Ų51.60%029%0.285CS..Hα-helixtrans-59.8-47.3174.9-74-172.9-71.500111L75 L149 M155 M156 F160 I161 F166 I167 M168 I189 L192L75-M164 HydrophobicContact CD1-CG 4.39Å; L149-M164 HydrophobicContact CD2-CB 4.45Å; L149-M164 HydrophobicContact CD2-CG 4.29Å; L149-M164 HydrophobicContact CD2-SD 3.77Å; M155-M164 HydrophobicContact CB-CE 3.79Å; M155-M164 HydrophobicContact CB-SD 3.73Å; M155-M164 HydrophobicContact CE-SD 3.63Å; M155-M164 HydrophobicContact CG-SD 4.4Å; M155-M164 HydrophobicContact SD-CG 4.26Å; M155-M164 HydrophobicContact SD-SD 3.89Å; M156-M164 HydrophobicContact CB-CE 4.39Å; F160-M164 WeakPolarHBondContact O-CG 3.2Å; F160-M164 PolarHBondContact O-N 2.74Å; I161-M164 HydrophobicContact CD1-CE 3.86Å; M164-F166 PolarHBondContact O-N 3.4Å; M164-I167 PolarHBondContact O-N 2.8Å; M164-M168 WeakPolarHBondContact O-CB 3.4Å; M164-M168 WeakPolarHBondContact O-CG 3.47Å; M164-M168 PolarHBondContact O-N 3.25Å; M164-I189 HydrophobicContact CE-CD1 4.44Å; M164-L192 HydrophobicContact CB-CD1 4.44Å; M164-L192 HydrophobicContact CE-CD1 3.99Å; M164-L192 HydrophobicContact SD-CD1 4.31Å
165R96.4Very high91.6Very high75 Ų7558.8 Ų58.828%0.28332%0.319SS..Hα-helixtrans-57.1-48.5175.9-70.4178.3170.7146.5-4.7111.8I161 D162 I167 M168 D169 L192 F196I161-R165 WeakPolarHBondContact O-CG 3.42Å; I161-R165 PolarHBondContact O-N 3.39Å; D162-R165 PolarHBondContact O-N 2.94Å; D162-R165 IonicContact OD1-NH1 3.83Å; D162-R165 PolarHBondContact OD1-NH1 3.19Å; R165-I167 VanDerWaalsContact C-N 3.34Å; R165-I167 PolarHBondContact O-N 2.69Å; R165-M168 PolarHBondContact O-N 3.33Å; R165-D169 PolarHBondContact O-N 3.38Å; R165-L192 HydrophobicContact CG-CD2 3.55Å; R165-F196 HydrophobicContact CB-CE2 4.38Å; R165-F196 HydrophobicContact CB-CZ 4.25Å; R165-F196 HydrophobicContact CG-CE2 3.99Å; R165-F196 HydrophobicContact CG-CZ 4.34Å
166F97Very high91.8Very high66 Ų6659.4 Ų59.429%0.28932%0.321SS..Hα-helixtrans-58.6-45.6179.1177-87.9000111.8I131 L134 D162 D163 M164 D169 K170I131-F166 HydrophobicContact CB-CE1 4.46Å; I131-F166 HydrophobicContact CD1-CD1 4Å; I131-F166 HydrophobicContact CG1-CD1 3.75Å; I131-F166 HydrophobicContact CG1-CE1 4.1Å; I131-F166 HydrophobicContact CG2-CD1 4.28Å; I131-F166 HydrophobicContact CG2-CE1 3.93Å; L134-F166 HydrophobicContact CD1-CE1 4.41Å; D162-F166 WeakPolarHBondContact O-CB 3.24Å; D162-F166 PolarHBondContact O-N 2.95Å; D163-F166 PolarHBondContact O-N 3.27Å; M164-F166 PolarHBondContact O-N 3.4Å; F166-D169 PolarHBondContact O-N 3.36Å; F166-K170 HydrophobicContact CD1-CG 4.37Å; F166-K170 HydrophobicContact CE1-CG 4Å; F166-K170 HydrophobicContact CZ-CG 4.22Å; F166-K170 WeakPolarHBondContact O-CG 3.44Å; F166-K170 PolarHBondContact O-N 2.9Å
167I97.7Very high92.3Very high0 Ų058 Ų580%031%0.314CS..Hα-helixtrans-63.9-44178.4-66162.6000110.5L73 L75 P127 V130 I131 L134 D163 M164 R165 D169 K170 I171L73-I167 HydrophobicContact CD2-CG2 3.61Å; L75-I167 HydrophobicContact CD1-CB 4.31Å; L75-I167 HydrophobicContact CD1-CD1 3.81Å; L75-I167 HydrophobicContact CD1-CG2 4.04Å; L75-I167 HydrophobicContact CD2-CD1 3.91Å; L75-I167 HydrophobicContact CD2-CG2 4.44Å; P127-I167 HydrophobicContact CB-CD1 3.93Å; V130-I167 HydrophobicContact CB-CD1 4.06Å; V130-I167 HydrophobicContact CG1-CD1 3.91Å; V130-I167 HydrophobicContact CG1-CG1 4.04Å; V130-I167 HydrophobicContact CG1-CG2 4.15Å; I131-I167 HydrophobicContact CD1-CD1 4.4Å; I131-I167 HydrophobicContact CD1-CG1 4.31Å; I131-I167 HydrophobicContact CG1-CD1 4Å; I131-I167 HydrophobicContact CG1-CG1 3.73Å; L134-I167 HydrophobicContact CD1-CG1 4.12Å; L134-I167 HydrophobicContact CD1-CG2 4.42Å; D163-I167 WeakPolarHBondContact O-CD1 3.28Å; D163-I167 VanDerWaalsContact O-CG1 3.24Å; D163-I167 WeakPolarHBondContact O-CG1 3.42Å; D163-I167 PolarHBondContact O-N 3.32Å; M164-I167 PolarHBondContact O-N 2.8Å; R165-I167 VanDerWaalsContact C-N 3.34Å; R165-I167 PolarHBondContact O-N 2.69Å; I167-D169 VanDerWaalsContact C-N 3.3Å; I167-D169 PolarHBondContact O-N 2.86Å; I167-K170 PolarHBondContact O-N 2.93Å; I167-K170 VanDerWaalsContact O-N 3.12Å; I167-I171 HydrophobicContact CG2-CD1 4.13Å; I167-I171 PolarHBondContact O-N 3.1Å
168M96.5Very high93.1Very high1 Ų154.3 Ų54.31%0.00529%0.294CS..Hα-helixtrans-61.6-36.6177.6-69.8178.3102.900112.2L147 L149 M164 R165 K170 I171 R176 T178 L192 F196L147-M168 HydrophobicContact CD2-CB 4.47Å; L147-M168 HydrophobicContact CD2-CE 4.08Å; L147-M168 HydrophobicContact CD2-CG 3.6Å; L149-M168 HydrophobicContact CD1-CE 4.01Å; L149-M168 HydrophobicContact CD2-CE 4.45Å; L149-M168 HydrophobicContact CD2-SD 4.19Å; M164-M168 WeakPolarHBondContact O-CB 3.4Å; M164-M168 WeakPolarHBondContact O-CG 3.47Å; M164-M168 PolarHBondContact O-N 3.25Å; R165-M168 PolarHBondContact O-N 3.33Å; M168-K170 VanDerWaalsContact C-N 3.3Å; M168-K170 PolarHBondContact O-N 3.07Å; M168-I171 PolarHBondContact O-N 2.96Å; M168-R176 PolarHBondContact O-NH1 2.96Å; M168-T178 HydrophobicContact CE-CG2 3.75Å; M168-L192 HydrophobicContact SD-CD2 4.15Å; M168-F196 HydrophobicContact CB-CD1 3.57Å; M168-F196 HydrophobicContact CB-CE1 3.55Å; M168-F196 HydrophobicContact CB-CG 4.09Å; M168-F196 HydrophobicContact CB-CZ 4.09Å; M168-F196 HydrophobicContact CE-CB 3.29Å; M168-F196 HydrophobicContact CE-CD1 4.38Å; M168-F196 HydrophobicContact CE-CD2 4.26Å; M168-F196 HydrophobicContact CE-CG 3.76Å; M168-F196 HydrophobicContact CG-CD1 4.42Å; M168-F196 HydrophobicContact CG-CG 4.49Å; M168-F196 HydrophobicContact SD-CB 3.96Å; M168-F196 HydrophobicContact SD-CD1 4.22Å; M168-F196 HydrophobicContact SD-CD2 3.77Å; M168-F196 HydrophobicContact SD-CE2 4.3Å; M168-F196 HydrophobicContact SD-CG 3.72Å
169D95Very high93.7Very high112 Ų11251.1 Ų51.160%0.59928%0.279SS*.Hα-helixtrans-69.2-26.3175.7-77.9-26.4000113.2R165 F166 I167 I171 F196R165-D169 PolarHBondContact O-N 3.38Å; F166-D169 PolarHBondContact O-N 3.36Å; I167-D169 VanDerWaalsContact C-N 3.3Å; I167-D169 PolarHBondContact O-N 2.86Å; D169-I171 VanDerWaalsContact C-N 3.34Å; D169-F196 VanDerWaalsContact OD1-CE1 3.25Å; D169-F196 WeakPolarHBondContact OD1-CE1 3.47Å
170K95Very high94.3Very high106 Ų10648.7 Ų48.746%0.46125%0.254SS..THydrogen-bonded Turntrans-82.5-7.7179.2-67.2-60.5-178.7-168.80114.3L134 T141 F166 I167 M168L134-K170 HydrophobicContact CD1-CB 4.14Å; L134-K170 HydrophobicContact CD1-CG 4.32Å; T141-K170 WeakPolarHBondContact CB-O 3.4Å; T141-K170 PolarHBondContact OG1-O 3.29Å; F166-K170 HydrophobicContact CD1-CG 4.37Å; F166-K170 HydrophobicContact CE1-CG 4Å; F166-K170 HydrophobicContact CZ-CG 4.22Å; F166-K170 WeakPolarHBondContact O-CG 3.44Å; F166-K170 PolarHBondContact O-N 2.9Å; I167-K170 PolarHBondContact O-N 2.93Å; I167-K170 VanDerWaalsContact O-N 3.12Å; M168-K170 VanDerWaalsContact C-N 3.3Å; M168-K170 PolarHBondContact O-N 3.07Å
171I94.6Very high94.4Very high3 Ų346.5 Ų46.52%0.01524%0.244CC..SBendtrans-105.6123.1-179.7-60.6168.3000109L73 T141 I144 L147 I167 M168 D169 A173 R176L73-I171 HydrophobicContact CD2-CD1 3.8Å; T141-I171 HydrophobicContact CG2-CG1 4.08Å; I144-I171 HydrophobicContact CB-CG2 4.09Å; I144-I171 HydrophobicContact CG2-CD1 4.36Å; I144-I171 HydrophobicContact CG2-CG2 3.89Å; L147-I171 HydrophobicContact CD1-CD1 3.87Å; L147-I171 HydrophobicContact CD2-CD1 4.15Å; L147-I171 HydrophobicContact CG-CD1 4.41Å; I167-I171 HydrophobicContact CG2-CD1 4.13Å; I167-I171 PolarHBondContact O-N 3.1Å; M168-I171 PolarHBondContact O-N 2.96Å; D169-I171 VanDerWaalsContact C-N 3.34Å; I171-A173 PolarHBondContact O-N 3.35Å; I171-R176 HydrophobicContact CG2-CG 4.26Å; I171-R176 PolarHBondContact O-NH1 3.42Å
172P91.2Very high94.3Very high62 Ų6245.2 Ų45.240%0.40324%0.237SC..  trans-51.4121.1-176-27.934.8000113.5V174 R176P172-V174 PolarHBondContact O-N 3.37Å; P172-R176 VanDerWaalsContact O-CB 3.31Å; P172-R176 WeakPolarHBondContact O-CB 3.23Å
173A86.4Confident94Very high57 Ų5742.4 Ų42.447%0.47123%0.228SC..SBendtrans-72-28.9-172.600000113.9I171 Q175 R176 K198I171-A173 PolarHBondContact O-N 3.35Å; A173-Q175 PolarHBondContact O-N 3.03Å; A173-R176 PolarHBondContact O-N 2.67Å; A173-K198 WeakPolarHBondContact O-CE 3.1Å; A173-K198 PolarHBondContact O-NZ 2.97Å
174V86.1Confident93.3Very high131 Ų13143.4 Ų43.479%0.79424%0.236SC*.THydrogen-bonded Turntrans-57.9-50.6-166.4-177.80000112.6P172 K198P172-V174 PolarHBondContact O-N 3.37Å; V174-K198 PolarHBondContact O-NZ 3.5Å
175Q84.9Confident92.9Very high169 Ų16945.4 Ų45.479%0.7925%0.245SC*.THydrogen-bonded Turntrans-1078.3-177.5-65.2-173.9-15.400113.7A173A173-Q175 PolarHBondContact O-N 3.03Å
176R95.3Very high92.3Very high12 Ų1243.6 Ų43.65%0.04524%0.244CC..  trans-75.6128.4178.4-174.6-178.778.4-152.44.6111.5H145 L147 M168 I171 P172 A173 T178 F196 K198H145-R176 CarbonylContact O-C 3.5Å; H145-R176 WeakPolarHBondContact O-CA 3.44Å; L147-R176 HydrophobicContact CB-CG 4.26Å; M168-R176 PolarHBondContact O-NH1 2.96Å; I171-R176 HydrophobicContact CG2-CG 4.26Å; I171-R176 PolarHBondContact O-NH1 3.42Å; P172-R176 VanDerWaalsContact O-CB 3.31Å; P172-R176 WeakPolarHBondContact O-CB 3.23Å; A173-R176 PolarHBondContact O-N 2.67Å; R176-T178 PolarHBondContact NE-OG1 3.42Å; R176-T178 VanDerWaalsContact NE-OG1 3.08Å; R176-F196 PolarHBondContact NH2-O 3.41Å; R176-F196 VanDerWaalsContact NH2-O 3.17Å; R176-K198 PolarHBondContact O-NZ 2.81Å; R176-K198 VanDerWaalsContact O-NZ 3.07Å
177Q98Very high91.8Very high6 Ų649.1 Ų49.13%0.02827%0.268CS..EExtended strand (participates in β ladder)trans-89.4133.6156.6-178.9-172.12500109A36 G39 I40 D41 H145 T146 L147 M179A36-Q177 PolarHBondContact O-NE2 2.86Å; G39-Q177 WeakPolarHBondContact O-CG 3.35Å; I40-Q177 PolarHBondContact O-NE2 3.45Å; D41-Q177 VanDerWaalsContact OD1-CA 3.3Å; D41-Q177 WeakPolarHBondContact OD1-CA 3.2Å; H145-Q177 PolarHBondContact O-N 3.23Å; T146-Q177 WeakPolarHBondContact CA-O 3.41Å; L147-Q177 PolarHBondContact N-O 3.08Å; Q177-M179 HydrophobicContact CG-CG 4.36Å
178T98.3Very high91.4Very high0 Ų050.7 Ų50.70%028%0.28CS..EExtended strand (participates in β ladder)trans-117.9126.3175.9-52.40000110.2D41 I42 L147 L149 M168 R176 M197D41-T178 CarbonylContact C-O 3.53Å; D41-T178 WeakPolarHBondContact CA-O 3.47Å; D41-T178 WeakPolarHBondContact CB-O 2.95Å; D41-T178 PolarHBondContact OD1-N 3.22Å; I42-T178 PolarHBondContact N-O 3.34Å; L147-T178 CarbonylContact O-C 3.57Å; L147-T178 WeakPolarHBondContact O-CA 3.41Å; L149-T178 HydrophobicContact CD1-CG2 3.85Å; M168-T178 HydrophobicContact CE-CG2 3.75Å; R176-T178 PolarHBondContact NE-OG1 3.42Å; R176-T178 VanDerWaalsContact NE-OG1 3.08Å; T178-M197 HydrophobicContact CG2-CE 4.32Å; T178-M197 HydrophobicContact CG2-CG 3.95Å; T178-M197 HydrophobicContact CG2-SD 4.5Å; T178-M197 WeakPolarHBondContact O-CE 3.17Å
179M98.3Very high91.1Very high1 Ų150.6 Ų50.61%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-119.5120.9173.1-57.1-177.7-89.500109.4A36 I42 F56 T146 L147 I148 L149 Q177 F181A36-M179 HydrophobicContact CB-SD 3.98Å; I42-M179 HydrophobicContact CB-CB 4.27Å; I42-M179 HydrophobicContact CB-CG 4.02Å; I42-M179 HydrophobicContact CD1-CG 4.49Å; I42-M179 HydrophobicContact CD1-SD 4.15Å; I42-M179 HydrophobicContact CG1-CG 4.35Å; I42-M179 CarbonylContact O-C 3.47Å; I42-M179 WeakPolarHBondContact O-CA 3.34Å; F56-M179 HydrophobicContact CB-CE 4.26Å; F56-M179 HydrophobicContact CB-SD 4.22Å; T146-M179 HydrophobicContact CG2-CE 3.62Å; L147-M179 PolarHBondContact O-N 2.94Å; I148-M179 CarbonylContact C-O 3.58Å; I148-M179 VanDerWaalsContact CA-O 3.27Å; I148-M179 WeakPolarHBondContact CA-O 3.42Å; I148-M179 HydrophobicContact CD1-CE 3.81Å; I148-M179 HydrophobicContact CG1-CB 4.2Å; I148-M179 HydrophobicContact CG1-CE 3.65Å; L149-M179 PolarHBondContact N-O 3.36Å; Q177-M179 HydrophobicContact CG-CG 4.36Å; M179-F181 HydrophobicContact CB-CE2 3.76Å
180L97.6Very high91.1Very high1 Ų149.5 Ų49.51%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-115.3125.3-179.2-171.9155000109.1I42 L43 G44 L149 A152 I189 V193 M197I42-L180 PolarHBondContact O-N 2.76Å; L43-L180 WeakPolarHBondContact CA-O 3.39Å; L43-L180 HydrophobicContact CD1-CB 4.33Å; L43-L180 HydrophobicContact CD1-CD2 3.59Å; L43-L180 HydrophobicContact CD1-CG 4.49Å; G44-L180 PolarHBondContact N-O 2.84Å; L149-L180 HydrophobicContact CB-CG 4.2Å; L149-L180 HydrophobicContact CD2-CD1 4.44Å; A152-L180 HydrophobicContact CB-CD1 4.19Å; A152-L180 HydrophobicContact CB-CD2 3.83Å; A152-L180 HydrophobicContact CB-CG 3.9Å; L180-I189 HydrophobicContact CD1-CG2 4.25Å; L180-I189 HydrophobicContact CD2-CG2 3.91Å; L180-V193 HydrophobicContact CD1-CG2 4.15Å; L180-M197 HydrophobicContact CB-CE 4.22Å; L180-M197 HydrophobicContact CB-SD 4.03Å
181F95.4Very high91Very high0 Ų046 Ų460%026%0.262CS..EExtended strand (participates in β ladder)trans-117.8129.8177.1-65.7-93.8000110.5I28 I42 G44 K52 A55 F56 I148 L149 E151 A152 M179I28-F181 HydrophobicContact CD1-CD1 4.23Å; I28-F181 HydrophobicContact CD1-CE1 4.17Å; I42-F181 HydrophobicContact CG2-CZ 4.34Å; G44-F181 VanDerWaalsContact O-CA 3.29Å; G44-F181 WeakPolarHBondContact O-CA 3.31Å; K52-F181 HydrophobicContact CB-CD1 4.4Å; K52-F181 HydrophobicContact CD-CB 4.21Å; K52-F181 HydrophobicContact CD-CD1 4.36Å; K52-F181 HydrophobicContact CG-CD1 4.27Å; A55-F181 HydrophobicContact CB-CE1 4.13Å; A55-F181 HydrophobicContact CB-CZ 4.4Å; F56-F181 HydrophobicContact CB-CD2 4.5Å; F56-F181 HydrophobicContact CB-CE2 3.58Å; F56-F181 HydrophobicContact CB-CZ 3.87Å; F56-F181 AromaticContact CD1-CD2 3.72Å; F56-F181 HydrophobicContact CD1-CD2 3.72Å; F56-F181 AromaticContact CD1-CE2 3.59Å; F56-F181 HydrophobicContact CD1-CE2 3.59Å; F56-F181 HydrophobicContact CD1-CG 4.32Å; F56-F181 HydrophobicContact CD1-CZ 4.06Å; F56-F181 HydrophobicContact CE1-CD2 4.42Å; F56-F181 HydrophobicContact CG-CD2 4.5Å; F56-F181 HydrophobicContact CG-CE2 4.01Å; F56-F181 HydrophobicContact CG-CZ 4.49Å; I148-F181 HydrophobicContact CG2-CD2 4.42Å; L149-F181 PolarHBondContact O-N 3.38Å; E151-F181 PolarHBondContact N-O 2.62Å; E151-F181 VanDerWaalsContact N-O 3.1Å; A152-F181 PolarHBondContact N-O 2.97Å; A152-F181 VanDerWaalsContact N-O 3.1Å; M179-F181 HydrophobicContact CB-CE2 3.76Å
182S91.5Very high91Very high0 Ų045.9 Ų45.90%026%0.262CS..EExtended strand (participates in β ladder)trans-155147.8-174.7-162.50000110.8G44 Q45 A46 D153 T184G44-S182 PolarHBondContact O-N 3.13Å; Q45-S182 VanDerWaalsContact CA-O 3.29Å; Q45-S182 WeakPolarHBondContact CA-O 3.3Å; A46-S182 PolarHBondContact N-O 3.17Å; A46-S182 VanDerWaalsContact N-O 3.14Å; D153-S182 VanDerWaalsContact CB-OG 3.24Å; D153-S182 WeakPolarHBondContact CB-OG 3.45Å; D153-S182 PolarHBondContact N-OG 3.27Å; D153-S182 PolarHBondContact OD1-OG 2.86Å; D153-S182 PolarHBondContact OD2-OG 3.31Å; S182-T184 WeakPolarHBondContact CB-O 3.32Å; S182-T184 PolarHBondContact OG-O 3.08Å
183A84.7Confident91.2Very high40 Ų4043.8 Ų43.833%0.33125%0.247SC..SBendtrans-79.4-40.7175.400000110.6Q45 D153Q45-A183 PolarHBondContact NE2-O 3.15Å; D153-A183 PolarHBondContact OD1-N 3Å; D153-A183 PolarHBondContact OD2-N 3.28Å
184T82.4Confident91.6Very high70 Ų7048.8 Ų48.843%0.42926%0.261SS..  trans-112.3165.3-178.267.60000111.8D153 S182 P186D153-T184 WeakPolarHBondContact CB-OG1 3.45Å; D153-T184 WeakPolarHBondContact OD2-CB 3.25Å; D153-T184 PolarHBondContact OD2-N 3.14Å; D153-T184 PolarHBondContact OD2-OG1 2.92Å; S182-T184 WeakPolarHBondContact CB-O 3.32Å; S182-T184 PolarHBondContact OG-O 3.08Å; T184-P186 VanDerWaalsContact C-CD 3.42Å
185M89.1Confident92Very high41 Ų4147.9 Ų47.920%0.20225%0.248CC..  trans-128.664.7179.9-73.4-61.5-57.800111.5L43 Q45 I189 Q190 V193L43-M185 HydrophobicContact CD1-CE 4.12Å; L43-M185 HydrophobicContact CD1-SD 3.9Å; L43-M185 HydrophobicContact CD2-CE 3.78Å; L43-M185 HydrophobicContact CD2-SD 4.29Å; Q45-M185 HydrophobicContact CG-CG 4.41Å; M185-I189 HydrophobicContact CE-CG2 3.89Å; M185-I189 HydrophobicContact SD-CG2 3.87Å; M185-Q190 HydrophobicContact CE-CG 3.88Å; M185-Q190 PolarHBondContact O-NE2 3.13Å; M185-V193 HydrophobicContact CE-CG2 4.29Å
186P82.4Confident92.5Very high38 Ų3840.8 Ų40.825%0.24722%0.215CC..  trans-66.2160.1175.929-34.4000111.1M156 T184 A188 I189 Q190M156-P186 HydrophobicContact CE-CB 3.95Å; M156-P186 HydrophobicContact CE-CG 3.41Å; M156-P186 VanDerWaalsContact CE-CG 3.41Å; M156-P186 HydrophobicContact SD-CB 3.98Å; M156-P186 HydrophobicContact SD-CG 3.47Å; M156-P186 WeakPolarHBondContact SD-CG 3.38Å; T184-P186 VanDerWaalsContact C-CD 3.42Å; P186-A188 PolarHBondContact O-N 3.08Å; P186-A188 VanDerWaalsContact O-N 3.09Å; P186-I189 HydrophobicContact CG-CB 4.18Å; P186-I189 HydrophobicContact CG-CG1 3.74Å; P186-I189 PolarHBondContact O-N 3.31Å; P186-Q190 PolarHBondContact O-N 3.12Å
187K87.1Confident92.5Very high182 Ų18241 Ų4179%0.79122%0.217SC*.Hα-helixtrans-53.8-35.5-174.5-71.6-174.7178.2-179.80113.7Q190 A191K187-Q190 PolarHBondContact O-N 3.09Å; K187-A191 WeakPolarHBondContact O-CB 3.5Å; K187-A191 PolarHBondContact O-N 2.99Å
188A89Confident92.4Very high32 Ų3245.6 Ų45.626%0.26424%0.237SC..Hα-helixtrans-69.9-36.7179.700000112.7M156 I161 P186 A191 L192M156-A188 HydrophobicContact CG-CB 4.28Å; M156-A188 HydrophobicContact SD-CB 3.73Å; I161-A188 HydrophobicContact CD1-CB 4.06Å; I161-A188 HydrophobicContact CG1-CB 4.17Å; P186-A188 PolarHBondContact O-N 3.08Å; P186-A188 VanDerWaalsContact O-N 3.09Å; A188-A191 PolarHBondContact O-N 3.24Å; A188-L192 PolarHBondContact O-N 2.88Å
189I91.7Very high92.2Very high0 Ų051.2 Ų51.20%028%0.275CS..Hα-helixtrans-68.6-41.6172.4-63.1-56.6000110.6A152 M156 M164 L180 M185 P186 A191 L192 V193A152-I189 HydrophobicContact CB-CD1 3.86Å; A152-I189 WeakPolarHBondContact O-CD1 3.38Å; M156-I189 HydrophobicContact CB-CD1 4.12Å; M156-I189 HydrophobicContact SD-CG1 4.21Å; M164-I189 HydrophobicContact CE-CD1 4.44Å; L180-I189 HydrophobicContact CD1-CG2 4.25Å; L180-I189 HydrophobicContact CD2-CG2 3.91Å; M185-I189 HydrophobicContact CE-CG2 3.89Å; M185-I189 HydrophobicContact SD-CG2 3.87Å; P186-I189 HydrophobicContact CG-CB 4.18Å; P186-I189 HydrophobicContact CG-CG1 3.74Å; P186-I189 PolarHBondContact O-N 3.31Å; I189-A191 VanDerWaalsContact C-N 3.25Å; I189-A191 PolarHBondContact O-N 3.11Å; I189-L192 HydrophobicContact CD1-CD1 4.08Å; I189-L192 WeakPolarHBondContact O-CB 3.14Å; I189-L192 PolarHBondContact O-N 2.84Å; I189-L192 VanDerWaalsContact O-N 3.13Å; I189-V193 WeakPolarHBondContact O-CG2 3.46Å; I189-V193 PolarHBondContact O-N 3.2Å
190Q93.1Very high92.1Very high88 Ų8852.5 Ų52.541%0.41128%0.284SS..Hα-helixtrans-58.2-40.1173.4-63.8179.227.300111.9M185 P186 K187 V193 Q194M185-Q190 HydrophobicContact CE-CG 3.88Å; M185-Q190 PolarHBondContact O-NE2 3.13Å; P186-Q190 PolarHBondContact O-N 3.12Å; K187-Q190 PolarHBondContact O-N 3.09Å; Q190-V193 PolarHBondContact O-N 2.87Å; Q190-Q194 WeakPolarHBondContact O-CG 3.41Å; Q190-Q194 PolarHBondContact O-N 2.86Å
191A93.9Very high92.1Very high33 Ų3356.4 Ų56.427%0.27330%0.301SS..Hα-helixtrans-65.4-40.5175.500000112.3K187 A188 I189 V193 Q194 Q195K187-A191 WeakPolarHBondContact O-CB 3.5Å; K187-A191 PolarHBondContact O-N 2.99Å; A188-A191 PolarHBondContact O-N 3.24Å; I189-A191 VanDerWaalsContact C-N 3.25Å; I189-A191 PolarHBondContact O-N 3.11Å; A191-V193 VanDerWaalsContact C-N 3.34Å; A191-V193 PolarHBondContact O-N 2.64Å; A191-Q194 PolarHBondContact O-N 2.82Å; A191-Q195 VanDerWaalsContact O-CB 3.23Å; A191-Q195 WeakPolarHBondContact O-CB 3.31Å; A191-Q195 PolarHBondContact O-N 2.81Å
192L94.3Very high92Very high1 Ų161 Ų611%0.00533%0.325CS..Hα-helixtrans-59.1-46.2172.9-79.1-178000111.7I161 M164 R165 M168 A188 I189 Q194 Q195 F196I161-L192 HydrophobicContact CD1-CD1 3.57Å; I161-L192 HydrophobicContact CD1-CD2 4.42Å; I161-L192 HydrophobicContact CD1-CG 3.85Å; M164-L192 HydrophobicContact CB-CD1 4.44Å; M164-L192 HydrophobicContact CE-CD1 3.99Å; M164-L192 HydrophobicContact SD-CD1 4.31Å; R165-L192 HydrophobicContact CG-CD2 3.55Å; M168-L192 HydrophobicContact SD-CD2 4.15Å; A188-L192 PolarHBondContact O-N 2.88Å; I189-L192 HydrophobicContact CD1-CD1 4.08Å; I189-L192 WeakPolarHBondContact O-CB 3.14Å; I189-L192 PolarHBondContact O-N 2.84Å; I189-L192 VanDerWaalsContact O-N 3.13Å; L192-Q194 PolarHBondContact O-N 3.16Å; L192-Q195 PolarHBondContact O-N 2.82Å; L192-F196 HydrophobicContact CD2-CD2 3.77Å; L192-F196 HydrophobicContact CD2-CE2 3.74Å; L192-F196 WeakPolarHBondContact O-CB 3.48Å; L192-F196 PolarHBondContact O-N 3.06Å
193V95.1Very high92.1Very high17 Ų1761.3 Ų61.310%0.10333%0.326CS..Hα-helixtrans-58.8-49.5178.3173.30000110.5L43 L180 M185 I189 Q190 A191 Q195 M197 P200L43-V193 HydrophobicContact CD1-CG2 3.92Å; L43-V193 HydrophobicContact CD2-CG1 4.28Å; L43-V193 HydrophobicContact CD2-CG2 4.2Å; L180-V193 HydrophobicContact CD1-CG2 4.15Å; M185-V193 HydrophobicContact CE-CG2 4.29Å; I189-V193 WeakPolarHBondContact O-CG2 3.46Å; I189-V193 PolarHBondContact O-N 3.2Å; Q190-V193 PolarHBondContact O-N 2.87Å; A191-V193 VanDerWaalsContact C-N 3.34Å; A191-V193 PolarHBondContact O-N 2.64Å; V193-Q195 VanDerWaalsContact C-N 3.32Å; V193-Q195 PolarHBondContact O-N 3.13Å; V193-M197 HydrophobicContact CB-SD 4.07Å; V193-M197 HydrophobicContact CG1-SD 3.89Å; V193-M197 HydrophobicContact CG2-SD 3.8Å; V193-M197 WeakPolarHBondContact O-CB 3.3Å; V193-M197 PolarHBondContact O-N 3.42Å; V193-M197 VanDerWaalsContact O-N 3.13Å; V193-P200 HydrophobicContact CG1-CG 3.88Å
194Q95.4Very high92.2Very high162 Ų16265.4 Ų65.476%0.75734%0.337SS*.Hα-helixtrans-63.9-36179.9-73.11780.800113.1Q190 A191 L192Q190-Q194 WeakPolarHBondContact O-CG 3.41Å; Q190-Q194 PolarHBondContact O-N 2.86Å; A191-Q194 PolarHBondContact O-N 2.82Å; L192-Q194 PolarHBondContact O-N 3.16Å
195Q94.6Very high91.9Very high113 Ų11363.3 Ų63.353%0.52832%0.324SS..Hα-helixtrans-81.4-36.7-175.5-177179.1-4.800113A191 L192 V193A191-Q195 VanDerWaalsContact O-CB 3.23Å; A191-Q195 WeakPolarHBondContact O-CB 3.31Å; A191-Q195 PolarHBondContact O-N 2.81Å; L192-Q195 PolarHBondContact O-N 2.82Å; V193-Q195 VanDerWaalsContact C-N 3.32Å; V193-Q195 PolarHBondContact O-N 3.13Å
196F95.2Very high90.4Very high19 Ų1969 Ų698%0.08335%0.352CS..Hα-helixtrans-118.9-9.6-164.9-68.7-79.1000115.9R165 M168 D169 R176 L192R165-F196 HydrophobicContact CB-CE2 4.38Å; R165-F196 HydrophobicContact CB-CZ 4.25Å; R165-F196 HydrophobicContact CG-CE2 3.99Å; R165-F196 HydrophobicContact CG-CZ 4.34Å; M168-F196 HydrophobicContact CB-CD1 3.57Å; M168-F196 HydrophobicContact CB-CE1 3.55Å; M168-F196 HydrophobicContact CB-CG 4.09Å; M168-F196 HydrophobicContact CB-CZ 4.09Å; M168-F196 HydrophobicContact CE-CB 3.29Å; M168-F196 HydrophobicContact CE-CD1 4.38Å; M168-F196 HydrophobicContact CE-CD2 4.26Å; M168-F196 HydrophobicContact CE-CG 3.76Å; M168-F196 HydrophobicContact CG-CD1 4.42Å; M168-F196 HydrophobicContact CG-CG 4.49Å; M168-F196 HydrophobicContact SD-CB 3.96Å; M168-F196 HydrophobicContact SD-CD1 4.22Å; M168-F196 HydrophobicContact SD-CD2 3.77Å; M168-F196 HydrophobicContact SD-CE2 4.3Å; M168-F196 HydrophobicContact SD-CG 3.72Å; D169-F196 VanDerWaalsContact OD1-CE1 3.25Å; D169-F196 WeakPolarHBondContact OD1-CE1 3.47Å; R176-F196 PolarHBondContact NH2-O 3.41Å; R176-F196 VanDerWaalsContact NH2-O 3.17Å; L192-F196 HydrophobicContact CD2-CD2 3.77Å; L192-F196 HydrophobicContact CD2-CE2 3.74Å; L192-F196 WeakPolarHBondContact O-CB 3.48Å; L192-F196 PolarHBondContact O-N 3.06Å
197M96.4Very high88.8Confident17 Ų1769.7 Ų69.78%0.08435%0.353CS..  trans-109.4144-178.3-55-178.475.800111.8D41 I42 T178 L180 V193 P200D41-M197 HydrophobicContact CB-CB 4.39Å; D41-M197 HydrophobicContact CB-CE 4.02Å; D41-M197 WeakPolarHBondContact OD2-CA 3.47Å; D41-M197 WeakPolarHBondContact OD2-CB 3.16Å; I42-M197 WeakPolarHBondContact O-CE 3.3Å; T178-M197 HydrophobicContact CG2-CE 4.32Å; T178-M197 HydrophobicContact CG2-CG 3.95Å; T178-M197 HydrophobicContact CG2-SD 4.5Å; T178-M197 WeakPolarHBondContact O-CE 3.17Å; L180-M197 HydrophobicContact CB-CE 4.22Å; L180-M197 HydrophobicContact CB-SD 4.03Å; V193-M197 HydrophobicContact CB-SD 4.07Å; V193-M197 HydrophobicContact CG1-SD 3.89Å; V193-M197 HydrophobicContact CG2-SD 3.8Å; V193-M197 WeakPolarHBondContact O-CB 3.3Å; V193-M197 PolarHBondContact O-N 3.42Å; V193-M197 VanDerWaalsContact O-N 3.13Å; M197-P200 HydrophobicContact CB-CB 4.25Å; M197-P200 HydrophobicContact CB-CG 4.06Å; M197-P200 HydrophobicContact CE-CB 3.72Å; M197-P200 HydrophobicContact CE-CG 4.43Å; M197-P200 HydrophobicContact SD-CB 4.38Å; M197-P200 HydrophobicContact SD-CG 4.49Å
198K94.5Very high86.4Confident103 Ų10367.9 Ų67.945%0.44835%0.352SS..SBendtrans-101.299-177.4-59.1171.2-167.2156.70110.2D41 A173 V174 R176D41-K198 PolarHBondContact OD2-N 3.38Å; A173-K198 WeakPolarHBondContact O-CE 3.1Å; A173-K198 PolarHBondContact O-NZ 2.97Å; V174-K198 PolarHBondContact O-NZ 3.5Å; R176-K198 PolarHBondContact O-NZ 2.81Å; R176-K198 VanDerWaalsContact O-NZ 3.07Å
199S93.6Very high84Confident117 Ų11775 Ų7582%0.81838%0.38SS*.SBendtrans44.956.9177.9-60.40000112.9
200P96.6Very high81.4Confident29 Ų2983.8 Ų83.819%0.18842%0.423CS..  trans-64.5140.7-170.227.5-35.4000111.7D41 L43 V193 M197 I202D41-P200 HydrophobicContact CB-CB 3.94Å; D41-P200 CarbonylContact O-C 3.43Å; D41-P200 VanDerWaalsContact O-CA 3.23Å; D41-P200 WeakPolarHBondContact O-CA 3.32Å; L43-P200 HydrophobicContact CB-CB 4.37Å; V193-P200 HydrophobicContact CG1-CG 3.88Å; M197-P200 HydrophobicContact CB-CB 4.25Å; M197-P200 HydrophobicContact CB-CG 4.06Å; M197-P200 HydrophobicContact CE-CB 3.72Å; M197-P200 HydrophobicContact CE-CG 4.43Å; M197-P200 HydrophobicContact SD-CB 4.38Å; M197-P200 HydrophobicContact SD-CG 4.49Å; P200-I202 PolarHBondContact O-N 2.86Å
201K97.3Very high78.9Confident82 Ų8282.2 Ų82.236%0.35742%0.422SS..EExtended strand (participates in β ladder)trans-68.5115.9165.7-178.967.5-178.9-171.40108.4Y35 I40 D41 L43 I203Y35-K201 HydrophobicContact CD1-CG 4.38Å; Y35-K201 HydrophobicContact CD2-CD 4.4Å; Y35-K201 HydrophobicContact CD2-CG 3.78Å; Y35-K201 HydrophobicContact CE1-CD 4.28Å; Y35-K201 HydrophobicContact CE2-CD 4.05Å; Y35-K201 HydrophobicContact CE2-CG 3.9Å; Y35-K201 HydrophobicContact CG-CB 4.38Å; Y35-K201 HydrophobicContact CG-CG 4.02Å; Y35-K201 PolarHBondContact OH-NZ 3.42Å; I40-K201 HydrophobicContact CG2-CB 4.27Å; D41-K201 PolarHBondContact O-N 3.28Å; L43-K201 PolarHBondContact N-O 3.4Å; K201-I203 HydrophobicContact CG-CD1 4.43Å; K201-I203 HydrophobicContact CG-CG1 4.04Å
202I95.2Very high76.8Confident98 Ų9883.2 Ų83.250%0.50342%0.423SS..EExtended strand (participates in β ladder)trans-83.9120.8175.5-53.5179.7000108.5L43 P200 K204L43-I202 HydrophobicContact CB-CG1 4.45Å; L43-I202 HydrophobicContact CD2-CG1 4.27Å; L43-I202 HydrophobicContact CD2-CG2 4.43Å; P200-I202 PolarHBondContact O-N 2.86Å; I202-K204 HydrophobicContact CG2-CD 4.47Å; I202-K204 HydrophobicContact CG2-CG 3.97Å
203I92.8Very high74.9Confident6 Ų685.3 Ų85.33%0.03144%0.437CS..EExtended strand (participates in β ladder)trans-118.3114.6177.2-58.9171.3000106.6I28 D31 S32 I42 L43 Q45 K201I28-I203 HydrophobicContact CG1-CG2 4.41Å; D31-I203 HydrophobicContact CB-CG2 3.8Å; D31-I203 WeakPolarHBondContact O-CD1 3.48Å; S32-I203 VanDerWaalsContact CB-CD1 3.42Å; I42-I203 HydrophobicContact CG2-CD1 3.78Å; I42-I203 HydrophobicContact CG2-CG1 4.46Å; L43-I203 PolarHBondContact O-N 3.03Å; Q45-I203 PolarHBondContact N-O 3.33Å; K201-I203 HydrophobicContact CG-CD1 4.43Å; K201-I203 HydrophobicContact CG-CG1 4.04Å
204K87.6Confident73.9Confident126 Ų12690 Ų9055%0.54846%0.457SS..EExtended strand (participates in β ladder)trans-116.1109.1176.4-61.9-173.4175.9-178.60108Q45 I202 M206Q45-K204 HydrophobicContact CB-CG 4.16Å; I202-K204 HydrophobicContact CG2-CD 4.47Å; I202-K204 HydrophobicContact CG2-CG 3.97Å; K204-M206 PolarHBondContact O-N 3.33Å
205T75.6Confident73.6Confident26 Ų2683.2 Ų83.216%0.1643%0.426CS..  trans-87.594.1161.650.90000106.5P27 I28 Q45 A46P27-T205 HydrophobicContact CB-CG2 4.1Å; I28-T205 HydrophobicContact CB-CG2 3.79Å; Q45-T205 PolarHBondContact O-N 2.89Å; A46-T205 WeakPolarHBondContact CB-OG1 3.44Å
206M57.2Low73.6Confident160 Ų16083 Ų8379%0.78843%0.425SS*.  trans-72.4131.6161.2-65.9-142-101.600106.8K204 N208K204-M206 PolarHBondContact O-N 3.33Å; M206-N208 VanDerWaalsContact C-N 3.29Å; M206-N208 PolarHBondContact O-N 2.91Å
207N47.8Very low73.6Confident53 Ų5383.5 Ų83.528%0.28343%0.428SS..  trans-61.796.5171.9-686.1000107.4Q47 E209 S211Q47-N207 PolarHBondContact OE1-ND2 2.93Å; N207-E209 PolarHBondContact O-N 2.82Å; N207-S211 PolarHBondContact ND2-O 3.47Å; N207-S211 PolarHBondContact ND2-OG 3.21Å; N207-S211 PolarHBondContact OD1-OG 2.86Å
208N37.7Very low73.6Confident143 Ų14384.4 Ų84.477%0.76543%0.431SS*.  trans-71.883.3155.7-83.1-3.6000105.9M206 M210M206-N208 VanDerWaalsContact C-N 3.29Å; M206-N208 PolarHBondContact O-N 2.91Å; N208-M210 PolarHBondContact O-N 3.29Å
209E38.9Very low73.8Confident182 Ų18281.6 Ų81.685%0.8542%0.418SS*.SBendtrans51.4-6.9161.3-62.1-178164.300119.8N207N207-E209 PolarHBondContact O-N 2.82Å
210M35.9Very low74Confident184 Ų18476 Ų7691%0.90638%0.379SS*.SBendtrans-105.3-4.6-172.8-78-148.670.400115N208N208-M210 PolarHBondContact O-N 3.29Å
211S42Very low74.1Confident55 Ų5578.1 Ų78.139%0.38539%0.388SS..  trans-128.726.117372.80000111.9N207 P213N207-S211 PolarHBondContact ND2-O 3.47Å; N207-S211 PolarHBondContact ND2-OG 3.21Å; N207-S211 PolarHBondContact OD1-OG 2.86Å; S211-P213 WeakPolarHBondContact O-CD 3.49Å; S211-P213 VanDerWaalsContact O-N 3.15Å
212D49.6Very low74Confident55 Ų5574.5 Ų74.529%0.29437%0.373SS..SBendtrans-61.3115.6155.8-154.519.2000104.7Q214 R361D212-Q214 PolarHBondContact O-N 2.91Å; D212-Q214 PolarHBondContact O-NE2 3.36Å; D212-R361 IonicContact OD1-CZ 3.77Å; D212-R361 VanDerWaalsContact OD1-CZ 3.31Å; D212-R361 IonicContact OD1-NH1 3.54Å; D212-R361 PolarHBondContact OD1-NH1 2.92Å; D212-R361 IonicContact OD1-NH2 3.38Å; D212-R361 PolarHBondContact OD1-NH2 2.59Å; D212-R361 IonicContact OD2-CZ 3.98Å; D212-R361 IonicContact OD2-NH1 3.31Å; D212-R361 PolarHBondContact OD2-NH1 2.82Å; D212-R361 IonicContact OD2-NH2 2.95Å
213P53.2Low74.1Confident45 Ų4575.5 Ų75.529%0.29237%0.373SS..  trans-46.6123.3170.1-24.936.3000106.1S211 I215S211-P213 WeakPolarHBondContact O-CD 3.49Å; S211-P213 VanDerWaalsContact O-N 3.15Å; P213-I215 HydrophobicContact CB-CB 4.5Å; P213-I215 HydrophobicContact CB-CD1 3.37Å; P213-I215 HydrophobicContact CB-CG1 3.48Å; P213-I215 VanDerWaalsContact CB-CG1 3.48Å; P213-I215 HydrophobicContact CG-CD1 4.21Å; P213-I215 PolarHBondContact O-N 3.14Å
214Q75.8Confident74.1Confident114 Ų11475.9 Ų75.953%0.53338%0.375SS..  trans-71.467.7176.3-66.5-65.3-70.600107.1D212 E337 G338D212-Q214 PolarHBondContact O-N 2.91Å; D212-Q214 PolarHBondContact O-NE2 3.36Å; Q214-E337 HydrophobicContact CB-CB 4.46Å; Q214-E337 HydrophobicContact CB-CG 3.94Å; Q214-E337 CarbonylContact O-C 3.55Å; Q214-E337 WeakPolarHBondContact O-CA 3.37Å; Q214-G338 PolarHBondContact O-N 3.33Å
215I88.8Confident74.4Confident21 Ų2174.2 Ų74.211%0.10837%0.372CS..EExtended strand (participates in β ladder)trans-99.2113.1-178.2-61.5172.3000106.4P213 E217 I328 T331 G338 A340P213-I215 HydrophobicContact CB-CB 4.5Å; P213-I215 HydrophobicContact CB-CD1 3.37Å; P213-I215 HydrophobicContact CB-CG1 3.48Å; P213-I215 VanDerWaalsContact CB-CG1 3.48Å; P213-I215 HydrophobicContact CG-CD1 4.21Å; P213-I215 PolarHBondContact O-N 3.14Å; I215-E217 HydrophobicContact CG2-CG 3.99Å; I215-E217 PolarHBondContact O-N 3.33Å; I215-I328 HydrophobicContact CD1-CB 4.45Å; I215-I328 HydrophobicContact CD1-CD1 4.48Å; I215-I328 HydrophobicContact CD1-CG1 4.47Å; I215-I328 WeakPolarHBondContact CD1-O 3.36Å; I215-T331 HydrophobicContact CD1-CG2 4.08Å; I215-T331 HydrophobicContact CG1-CG2 4.06Å; I215-T331 HydrophobicContact CG2-CG2 4.18Å; I215-G338 CarbonylContact C-O 3.54Å; I215-G338 WeakPolarHBondContact CA-O 3.22Å; I215-A340 HydrophobicContact CG2-CB 3.58Å
216E93.2Very high75.3Confident109 Ų10976.9 Ų76.951%0.50938%0.382SS..EExtended strand (participates in β ladder)trans-73.9112.7166.5-62-166.5166.400108.9F218 G338 I339 A340E216-F218 HydrophobicContact CB-CD2 4.31Å; E216-F218 HydrophobicContact CB-CE2 3.51Å; E216-F218 HydrophobicContact CB-CZ 4.01Å; E216-F218 WeakPolarHBondContact OE2-CE2 3.49Å; E216-F218 WeakPolarHBondContact OE2-CZ 3.33Å; E216-G338 PolarHBondContact N-O 3.09Å; E216-I339 HydrophobicContact CB-CG1 4.38Å; E216-A340 PolarHBondContact O-N 2.93Å
217E95.2Very high77.2Confident29 Ų2969.3 Ų69.314%0.13635%0.345CS..EExtended strand (participates in β ladder)trans-96.9116.1-176.5-65.4175.6-109.900110.5I215 Y324 I328 M363 S364I215-E217 HydrophobicContact CG2-CG 3.99Å; I215-E217 PolarHBondContact O-N 3.33Å; E217-Y324 VanDerWaalsContact OE2-CE1 3.22Å; E217-Y324 WeakPolarHBondContact OE2-CE1 3.31Å; E217-Y324 PolarHBondContact OE2-OH 3.37Å; E217-I328 HydrophobicContact CG-CD1 4.02Å; E217-M363 HydrophobicContact CB-CG 4.13Å; E217-S364 PolarHBondContact O-N 3.47Å
218F97.7Very high79.5Confident35 Ų3567 Ų6715%0.15433%0.332CS..EExtended strand (participates in β ladder)trans-117.5150.5177.5-60.7-78.9000112.4E216 I339 A340 V341 T342 S364 L366E216-F218 HydrophobicContact CB-CD2 4.31Å; E216-F218 HydrophobicContact CB-CE2 3.51Å; E216-F218 HydrophobicContact CB-CZ 4.01Å; E216-F218 WeakPolarHBondContact OE2-CE2 3.49Å; E216-F218 WeakPolarHBondContact OE2-CZ 3.33Å; F218-I339 HydrophobicContact CD2-CG2 3.99Å; F218-I339 HydrophobicContact CE2-CG2 4.09Å; F218-A340 PolarHBondContact N-O 2.7Å; F218-V341 HydrophobicContact CB-CG2 4.39Å; F218-T342 PolarHBondContact O-N 2.76Å; F218-S364 CarbonylContact C-O 3.6Å; F218-S364 WeakPolarHBondContact CA-O 3.29Å; F218-L366 HydrophobicContact CB-CB 3.85Å; F218-L366 HydrophobicContact CB-CD2 3.97Å; F218-L366 HydrophobicContact CD1-CB 3.85Å; F218-L366 HydrophobicContact CD1-CD1 4.25Å; F218-L366 HydrophobicContact CD1-CD2 4.17Å; F218-L366 HydrophobicContact CD1-CG 4.33Å; F218-L366 HydrophobicContact CD2-CD2 4.3Å; F218-L366 HydrophobicContact CE1-CD1 4.44Å; F218-L366 HydrophobicContact CG-CB 4.08Å; F218-L366 HydrophobicContact CG-CD2 3.89Å; F218-L366 HydrophobicContact CG-CG 4.48Å
219Y98Very high82.2Confident44 Ų4463.8 Ų63.817%0.17332%0.315CS..EExtended strand (participates in β ladder)trans-123.5144.4161.975.1-88.5000110.9I221 T342 V344 M349 I352 M363 S364 A365 L366Y219-I221 HydrophobicContact CD2-CG1 4.11Å; Y219-I221 HydrophobicContact CE2-CD1 4.07Å; Y219-I221 HydrophobicContact CE2-CG1 3.9Å; Y219-T342 CarbonylContact C-O 3.43Å; Y219-T342 VanDerWaalsContact CA-O 3.27Å; Y219-T342 WeakPolarHBondContact CA-O 3.4Å; Y219-V344 HydrophobicContact CD2-CG1 3.93Å; Y219-M349 HydrophobicContact CD2-CE 4.37Å; Y219-M349 HydrophobicContact CD2-SD 4.4Å; Y219-M349 HydrophobicContact CE2-CE 3.86Å; Y219-M349 HydrophobicContact CE2-SD 4.23Å; Y219-I352 HydrophobicContact CD1-CG2 4.3Å; Y219-I352 HydrophobicContact CG-CG2 4.42Å; Y219-M363 HydrophobicContact CD1-CB 3.75Å; Y219-M363 HydrophobicContact CE1-CB 4.47Å; Y219-S364 PolarHBondContact N-O 2.94Å; Y219-A365 HydrophobicContact CE1-CB 3.86Å; Y219-A365 HydrophobicContact CE2-CB 4.13Å; Y219-A365 WeakPolarHBondContact OH-CB 3.21Å; Y219-L366 PolarHBondContact O-N 2.92Å
220T98.3Very high85Confident0 Ų055.7 Ų55.70%028%0.278CS..EExtended strand (participates in β ladder)trans-125.3127.7176.6-164.50000110.6F234 V341 T342 F343 V344 L366T220-F234 HydrophobicContact CG2-CE2 3.85Å; T220-F234 HydrophobicContact CG2-CZ 4.46Å; T220-V341 HydrophobicContact CG2-CG1 4.26Å; T220-T342 PolarHBondContact N-O 3.32Å; T220-F343 HydrophobicContact CG2-CB 4.47Å; T220-F343 HydrophobicContact CG2-CD1 3.95Å; T220-F343 HydrophobicContact CG2-CD2 4.02Å; T220-F343 HydrophobicContact CG2-CE1 4.05Å; T220-F343 HydrophobicContact CG2-CE2 4.11Å; T220-F343 HydrophobicContact CG2-CG 3.89Å; T220-F343 HydrophobicContact CG2-CZ 4.11Å; T220-V344 WeakPolarHBondContact O-CG1 3.17Å; T220-V344 PolarHBondContact O-N 3.49Å; T220-L366 WeakPolarHBondContact CA-O 3.42Å; T220-L366 WeakPolarHBondContact CB-O 3.21Å; T220-L366 PolarHBondContact OG1-O 3.46Å
221I97.8Very high87.9Confident74 Ų7447 Ų4738%0.37924%0.235SC..EExtended strand (participates in β ladder)trans-87.1119.4-178.9-57.7175.9000108.7Y219 V344 P346 M349Y219-I221 HydrophobicContact CD2-CG1 4.11Å; Y219-I221 HydrophobicContact CE2-CD1 4.07Å; Y219-I221 HydrophobicContact CE2-CG1 3.9Å; I221-V344 WeakPolarHBondContact CA-O 3.33Å; I221-V344 HydrophobicContact CG1-CG1 4.08Å; I221-P346 HydrophobicContact CG2-CG 3.71Å; I221-M349 HydrophobicContact CD1-SD 4.01Å; I221-M349 HydrophobicContact CG1-SD 3.97Å
222V97.1Very high90.5Very high5 Ų544.6 Ų44.63%0.0322%0.219CC..  trans-150.2146.2-174.860.40000111.6E226 K227 T230 F343 V344 N345V222-E226 HydrophobicContact CG2-CB 3.82Å; V222-K227 HydrophobicContact CG1-CG 3.7Å; V222-K227 HydrophobicContact CG2-CG 4.34Å; V222-T230 HydrophobicContact CG2-CG2 4.27Å; V222-T230 WeakPolarHBondContact CG2-OG1 3.25Å; V222-F343 HydrophobicContact CG1-CB 4.25Å; V222-F343 HydrophobicContact CG1-CD1 3.74Å; V222-F343 HydrophobicContact CG1-CG 4.41Å; V222-V344 PolarHBondContact N-O 3.01Å; V222-N345 WeakPolarHBondContact O-CA 3.48Å
223K95.3Very high92.7Very high119 Ų11943.9 Ų43.952%0.51722%0.215SC..  trans-76.8152.9174.4-59.4-173-150.8118.50110.3L225 E226 K227K223-L225 VanDerWaalsContact C-N 3.31Å; K223-L225 PolarHBondContact O-N 2.9Å; K223-E226 HydrophobicContact CB-CG 4.35Å; K223-E226 IonicContact NZ-OE1 3.42Å; K223-E226 PolarHBondContact NZ-OE1 2.84Å; K223-E226 IonicContact NZ-OE2 3.7Å; K223-E226 PolarHBondContact O-N 2.99Å; K223-K227 PolarHBondContact O-N 2.92Å; K223-K227 VanDerWaalsContact O-N 3.16Å
224E94.1Very high94.8Very high15 Ų1541.9 Ų41.97%0.0720%0.201CC..G310 helixtrans-54.6-44.2-175.9-175.562.6-152.900113.6E226 K227 R252 F435 E436E224-E226 PolarHBondContact O-N 2.84Å; E224-K227 WeakPolarHBondContact O-CB 3.37Å; E224-K227 PolarHBondContact O-N 3.25Å; E224-K227 WeakPolarHBondContact OE2-CD 3.43Å; E224-K227 VanDerWaalsContact OE2-CE 3.23Å; E224-K227 WeakPolarHBondContact OE2-CE 3.05Å; E224-K227 IonicContact OE2-NZ 3.29Å; E224-K227 PolarHBondContact OE2-NZ 3.46Å; E224-R252 IonicContact OE1-CZ 3.46Å; E224-R252 IonicContact OE1-NH1 3.42Å; E224-R252 PolarHBondContact OE1-NH1 3.28Å; E224-R252 IonicContact OE1-NH2 3.3Å; E224-R252 PolarHBondContact OE1-NH2 3.4Å; E224-R252 IonicContact OE2-NH2 2.65Å; E224-F435 HydrophobicContact CB-CD2 4.12Å; E224-F435 HydrophobicContact CB-CE2 3.74Å; E224-F435 HydrophobicContact CG-CD2 3.86Å; E224-F435 HydrophobicContact CG-CE2 3.9Å; E224-E436 VanDerWaalsContact CG-O 3.28Å; E224-E436 WeakPolarHBondContact CG-O 3.31Å
225L93.7Very high95.8Very high90 Ų9036.7 Ų36.747%0.47118%0.177SC..G310 helixtrans-69.1-22.7-178.5-64.5175.2000113.2K223 Q432 F435K223-L225 VanDerWaalsContact C-N 3.31Å; K223-L225 PolarHBondContact O-N 2.9Å; L225-Q432 PolarHBondContact O-NE2 2.98Å; L225-F435 HydrophobicContact CD2-CB 4.45Å; L225-F435 HydrophobicContact CD2-CD2 3.79Å; L225-F435 HydrophobicContact CG-CD2 4.1Å
226E94.2Very high96.1Very high82 Ų8236.6 Ų36.638%0.38318%0.177SC..G310 helixtrans-96.1-5.5-177.5-62.3162.4-173.500111.6V222 K223 E224 F228 T230V222-E226 HydrophobicContact CG2-CB 3.82Å; K223-E226 HydrophobicContact CB-CG 4.35Å; K223-E226 IonicContact NZ-OE1 3.42Å; K223-E226 PolarHBondContact NZ-OE1 2.84Å; K223-E226 IonicContact NZ-OE2 3.7Å; K223-E226 PolarHBondContact O-N 2.99Å; E224-E226 PolarHBondContact O-N 2.84Å; E226-F228 PolarHBondContact O-N 3.26Å; E226-T230 VanDerWaalsContact O-CB 3.29Å; E226-T230 WeakPolarHBondContact O-CB 3.42Å; E226-T230 PolarHBondContact O-N 3.31Å; E226-T230 PolarHBondContact O-OG1 2.81Å
227K96.2Very high96.2Very high1 Ų133.9 Ų33.90%0.00417%0.168CC..Hα-helixtrans-61.1-43.8-173.4-86.4-175175.2171.10112.8V222 K223 E224 F231 F315 D316 F343V222-K227 HydrophobicContact CG1-CG 3.7Å; V222-K227 HydrophobicContact CG2-CG 4.34Å; K223-K227 PolarHBondContact O-N 2.92Å; K223-K227 VanDerWaalsContact O-N 3.16Å; E224-K227 WeakPolarHBondContact O-CB 3.37Å; E224-K227 PolarHBondContact O-N 3.25Å; E224-K227 WeakPolarHBondContact OE2-CD 3.43Å; E224-K227 VanDerWaalsContact OE2-CE 3.23Å; E224-K227 WeakPolarHBondContact OE2-CE 3.05Å; E224-K227 IonicContact OE2-NZ 3.29Å; E224-K227 PolarHBondContact OE2-NZ 3.46Å; K227-F231 WeakPolarHBondContact O-CB 3.34Å; K227-F231 PolarHBondContact O-N 2.75Å; K227-F315 HydrophobicContact CB-CE1 4.3Å; K227-F315 HydrophobicContact CB-CE2 3.91Å; K227-F315 HydrophobicContact CB-CZ 3.6Å; K227-F315 HydrophobicContact CD-CE1 4.27Å; K227-F315 HydrophobicContact CD-CZ 4.36Å; K227-D316 IonicContact NZ-OD1 3.59Å; K227-F343 HydrophobicContact CG-CD1 4.34Å
228F96.8Very high96.2Very high5 Ų534.7 Ų34.72%0.02217%0.172CC..Hα-helixtrans-65.5-51.7-174.8-178.8-111.8000111.3E226 T230 F231 T232 L256 A259 L260 K263 F315 V431 L433E226-F228 PolarHBondContact O-N 3.26Å; F228-T230 VanDerWaalsContact C-N 3.31Å; F228-T230 PolarHBondContact O-N 3.01Å; F228-F231 WeakPolarHBondContact O-CA 3.48Å; F228-F231 WeakPolarHBondContact O-CB 3.43Å; F228-F231 PolarHBondContact O-N 3.12Å; F228-T232 HydrophobicContact CD2-CG2 4.5Å; F228-T232 HydrophobicContact CE1-CG2 4.17Å; F228-T232 HydrophobicContact CE2-CG2 3.96Å; F228-T232 HydrophobicContact CZ-CG2 3.77Å; F228-T232 PolarHBondContact O-N 3.13Å; F228-T232 PolarHBondContact O-OG1 3.41Å; F228-L256 HydrophobicContact CD2-CD1 3.55Å; F228-L256 HydrophobicContact CE2-CD1 3.7Å; F228-A259 HydrophobicContact CD2-CB 4.23Å; F228-A259 HydrophobicContact CE1-CB 4.01Å; F228-A259 HydrophobicContact CE2-CB 3.55Å; F228-A259 HydrophobicContact CZ-CB 3.43Å; F228-A259 VanDerWaalsContact CZ-CB 3.43Å; F228-L260 HydrophobicContact CE2-CD2 4.28Å; F228-L260 HydrophobicContact CE2-CG 4.26Å; F228-K263 HydrophobicContact CE1-CG 4.02Å; F228-K263 HydrophobicContact CZ-CG 3.99Å; F228-F315 HydrophobicContact CB-CZ 4.5Å; F228-V431 HydrophobicContact CD1-CB 4.34Å; F228-V431 HydrophobicContact CE1-CB 3.91Å; F228-V431 HydrophobicContact CE1-CG1 4.27Å; F228-L433 HydrophobicContact CB-CD1 3.85Å; F228-L433 HydrophobicContact CB-CG 4.03Å; F228-L433 HydrophobicContact CD2-CD1 4.06Å; F228-L433 HydrophobicContact CD2-CG 4.38Å; F228-L433 HydrophobicContact CG-CD1 4.17Å; F228-L433 HydrophobicContact CG-CG 4.19Å
229D94.8Very high96.1Very high75 Ų7537.2 Ų37.240%0.40118%0.184SC..Hα-helixtrans-61.7-40.8177.7-58.1-30.7000111.8F231 T232 N233D229-F231 VanDerWaalsContact C-N 3.26Å; D229-F231 PolarHBondContact O-N 3.23Å; D229-T232 WeakPolarHBondContact CA-OG1 3.34Å; D229-T232 PolarHBondContact O-N 3.43Å; D229-T232 PolarHBondContact O-OG1 3.26Å; D229-N233 WeakPolarHBondContact O-CB 3.37Å; D229-N233 PolarHBondContact O-N 3.48Å; D229-N233 PolarHBondContact O-ND2 3.5Å; D229-N233 PolarHBondContact O-OD1 3.44Å
230T96.7Very high95.9Very high13 Ų1335.8 Ų35.88%0.0818%0.18CC..Hα-helixtrans-61.8-38.8175-58.80000111V222 E226 F228 N233 F234 F343 P368V222-T230 HydrophobicContact CG2-CG2 4.27Å; V222-T230 WeakPolarHBondContact CG2-OG1 3.25Å; E226-T230 VanDerWaalsContact O-CB 3.29Å; E226-T230 WeakPolarHBondContact O-CB 3.42Å; E226-T230 PolarHBondContact O-N 3.31Å; E226-T230 PolarHBondContact O-OG1 2.81Å; F228-T230 VanDerWaalsContact C-N 3.31Å; F228-T230 PolarHBondContact O-N 3.01Å; T230-N233 PolarHBondContact O-N 2.83Å; T230-F234 HydrophobicContact CG2-CD2 3.93Å; T230-F234 HydrophobicContact CG2-CE2 3.72Å; T230-F234 WeakPolarHBondContact O-CD2 3.49Å; T230-F234 PolarHBondContact O-N 2.87Å; T230-F234 VanDerWaalsContact O-N 3.09Å; T230-F343 HydrophobicContact CG2-CE1 3.87Å; T230-P368 HydrophobicContact CG2-CB 3.94Å; T230-P368 HydrophobicContact CG2-CG 4.06Å
231F97.8Very high95.7Very high0 Ų042.6 Ų42.60%021%0.212CC..Hα-helixtrans-67.9-45.7178.6170.6-122.3000112.6K227 F228 D229 N233 F234 L235 V245 L256 L260 Y313 F315 F343K227-F231 WeakPolarHBondContact O-CB 3.34Å; K227-F231 PolarHBondContact O-N 2.75Å; F228-F231 WeakPolarHBondContact O-CA 3.48Å; F228-F231 WeakPolarHBondContact O-CB 3.43Å; F228-F231 PolarHBondContact O-N 3.12Å; D229-F231 VanDerWaalsContact C-N 3.26Å; D229-F231 PolarHBondContact O-N 3.23Å; F231-N233 VanDerWaalsContact C-N 3.29Å; F231-N233 PolarHBondContact O-N 3.27Å; F231-F234 WeakPolarHBondContact O-CB 3.33Å; F231-F234 PolarHBondContact O-N 2.74Å; F231-F234 VanDerWaalsContact O-N 3.13Å; F231-L235 HydrophobicContact CD1-CD1 4.4Å; F231-L235 HydrophobicContact CD2-CG 4.31Å; F231-L235 HydrophobicContact CE1-CD1 3.79Å; F231-L235 HydrophobicContact CE1-CG 4.38Å; F231-L235 HydrophobicContact CE2-CD1 4.06Å; F231-L235 HydrophobicContact CE2-CD2 3.76Å; F231-L235 HydrophobicContact CE2-CG 3.75Å; F231-L235 HydrophobicContact CZ-CD1 3.55Å; F231-L235 HydrophobicContact CZ-CD2 3.83Å; F231-L235 HydrophobicContact CZ-CG 3.78Å; F231-L235 PolarHBondContact O-N 2.83Å; F231-V245 HydrophobicContact CE1-CG1 4.22Å; F231-V245 HydrophobicContact CE1-CG2 4.27Å; F231-V245 HydrophobicContact CE2-CG1 4.35Å; F231-V245 HydrophobicContact CE2-CG2 4.1Å; F231-V245 HydrophobicContact CZ-CB 4.33Å; F231-V245 HydrophobicContact CZ-CG1 3.9Å; F231-V245 HydrophobicContact CZ-CG2 3.44Å; F231-V245 VanDerWaalsContact CZ-CG2 3.44Å; F231-L256 HydrophobicContact CD1-CD1 4.11Å; F231-L256 HydrophobicContact CE1-CD1 4.19Å; F231-L260 HydrophobicContact CD1-CD2 4.49Å; F231-L260 HydrophobicContact CE1-CD1 4.13Å; F231-L260 HydrophobicContact CE1-CD2 3.86Å; F231-L260 HydrophobicContact CE1-CG 4.38Å; F231-Y313 HydrophobicContact CD2-CD1 4.04Å; F231-Y313 HydrophobicContact CD2-CG 4.16Å; F231-Y313 AromaticContact CE2-CD1 3.83Å; F231-Y313 HydrophobicContact CE2-CD1 3.83Å; F231-Y313 AromaticContact CE2-CD2 3.78Å; F231-Y313 HydrophobicContact CE2-CD2 3.78Å; F231-Y313 HydrophobicContact CE2-CE1 4.33Å; F231-Y313 HydrophobicContact CE2-CE2 4.28Å; F231-Y313 AromaticContact CE2-CG 3.53Å; F231-Y313 HydrophobicContact CE2-CG 3.53Å; F231-F315 HydrophobicContact CB-CD2 3.98Å; F231-F315 HydrophobicContact CB-CE2 3.77Å; F231-F315 HydrophobicContact CD1-CD2 4.07Å; F231-F315 HydrophobicContact CD1-CE2 4.11Å; F231-F315 AromaticContact CG-CD2 3.95Å; F231-F315 HydrophobicContact CG-CD2 3.95Å; F231-F315 HydrophobicContact CG-CE2 4.11Å; F231-F343 HydrophobicContact CB-CE1 3.72Å; F231-F343 HydrophobicContact CB-CZ 3.72Å; F231-F343 HydrophobicContact CD2-CE2 4.29Å; F231-F343 HydrophobicContact CD2-CZ 4.02Å; F231-F343 HydrophobicContact CG-CZ 4.34Å
232T95.8Very high95.5Very high6 Ų639.5 Ų39.54%0.03720%0.196CC..Hα-helixtrans-63.3-37.3175.352.90000111.6F228 D229 F234 L235 D236 L260 Y265F228-T232 HydrophobicContact CD2-CG2 4.5Å; F228-T232 HydrophobicContact CE1-CG2 4.17Å; F228-T232 HydrophobicContact CE2-CG2 3.96Å; F228-T232 HydrophobicContact CZ-CG2 3.77Å; F228-T232 PolarHBondContact O-N 3.13Å; F228-T232 PolarHBondContact O-OG1 3.41Å; D229-T232 WeakPolarHBondContact CA-OG1 3.34Å; D229-T232 PolarHBondContact O-N 3.43Å; D229-T232 PolarHBondContact O-OG1 3.26Å; T232-F234 VanDerWaalsContact C-N 3.3Å; T232-F234 PolarHBondContact O-N 3Å; T232-L235 WeakPolarHBondContact O-CB 3.43Å; T232-L235 PolarHBondContact O-N 2.95Å; T232-L235 VanDerWaalsContact O-N 3.11Å; T232-D236 VanDerWaalsContact O-CG 3.32Å; T232-D236 PolarHBondContact O-N 3.46Å; T232-L260 HydrophobicContact CG2-CD2 4.36Å; T232-Y265 WeakPolarHBondContact CB-OH 3.39Å; T232-Y265 HydrophobicContact CG2-CE2 3.65Å; T232-Y265 PolarHBondContact O-OH 3.08Å
233N95.9Very high95.5Very high39 Ų3939.3 Ų39.321%0.20920%0.195CC..Hα-helixtrans-60.9-38.8173.3-68.1-12.9000112.3D229 T230 F231 V237 P369 V374D229-N233 WeakPolarHBondContact O-CB 3.37Å; D229-N233 PolarHBondContact O-N 3.48Å; D229-N233 PolarHBondContact O-ND2 3.5Å; D229-N233 PolarHBondContact O-OD1 3.44Å; T230-N233 PolarHBondContact O-N 2.83Å; F231-N233 VanDerWaalsContact C-N 3.29Å; F231-N233 PolarHBondContact O-N 3.27Å; N233-V237 WeakPolarHBondContact O-CB 3.27Å; N233-V237 WeakPolarHBondContact O-CG2 3.38Å; N233-V237 PolarHBondContact O-N 3.27Å; N233-V237 VanDerWaalsContact O-N 3.1Å; N233-P369 HydrophobicContact CB-CB 4.36Å; N233-P369 HydrophobicContact CB-CG 4.22Å; N233-V374 HydrophobicContact CB-CG2 3.62Å
234F98Very high95.6Very high3 Ų333.7 Ų33.71%0.01317%0.17CC..Hα-helixtrans-68.1-38.6173-83.9-63.1000112.4T220 T230 F231 T232 D236 V237 H238 Y313 F343 L366 R367 P369T220-F234 HydrophobicContact CG2-CE2 3.85Å; T220-F234 HydrophobicContact CG2-CZ 4.46Å; T230-F234 HydrophobicContact CG2-CD2 3.93Å; T230-F234 HydrophobicContact CG2-CE2 3.72Å; T230-F234 WeakPolarHBondContact O-CD2 3.49Å; T230-F234 PolarHBondContact O-N 2.87Å; T230-F234 VanDerWaalsContact O-N 3.09Å; F231-F234 WeakPolarHBondContact O-CB 3.33Å; F231-F234 PolarHBondContact O-N 2.74Å; F231-F234 VanDerWaalsContact O-N 3.13Å; T232-F234 VanDerWaalsContact C-N 3.3Å; T232-F234 PolarHBondContact O-N 3Å; F234-D236 VanDerWaalsContact C-N 3.32Å; F234-D236 PolarHBondContact O-N 2.94Å; F234-V237 PolarHBondContact O-N 2.98Å; F234-H238 AromaticContact CD1-CE1 3.42Å; F234-H238 VanDerWaalsContact CD1-CE1 3.42Å; F234-H238 WeakPolarHBondContact CD1-CE1 3.32Å; F234-H238 AromaticContact CD1-NE2 3.55Å; F234-H238 WeakPolarHBondContact O-CB 3.4Å; F234-H238 VanDerWaalsContact O-CG 3.26Å; F234-H238 PolarHBondContact O-N 3.27Å; F234-Y313 HydrophobicContact CB-CE1 4.18Å; F234-F343 HydrophobicContact CD2-CE1 4.36Å; F234-F343 HydrophobicContact CD2-CE2 4.43Å; F234-F343 AromaticContact CD2-CZ 3.66Å; F234-F343 HydrophobicContact CD2-CZ 3.66Å; F234-F343 HydrophobicContact CE2-CZ 4.2Å; F234-L366 HydrophobicContact CD1-CD2 4.2Å; F234-L366 HydrophobicContact CE1-CD2 3.34Å; F234-L366 HydrophobicContact CE1-CG 3.69Å; F234-L366 HydrophobicContact CZ-CD2 3.82Å; F234-L366 HydrophobicContact CZ-CG 3.87Å; F234-R367 WeakPolarHBondContact CZ-O 3.39Å; F234-P369 HydrophobicContact CD1-CG 3.78Å; F234-P369 HydrophobicContact CE1-CG 3.86Å; F234-P369 HydrophobicContact CG-CG 4.18Å; F234-P369 HydrophobicContact CZ-CG 4.35Å
235L96.8Very high95.8Very high5 Ų533 Ų333%0.02617%0.167CC..Hα-helixtrans-60.3-44.3174.6-69.6177.2000111.5F231 T232 Q239 P240 L260 Y265 I293 Y313F231-L235 HydrophobicContact CD1-CD1 4.4Å; F231-L235 HydrophobicContact CD2-CG 4.31Å; F231-L235 HydrophobicContact CE1-CD1 3.79Å; F231-L235 HydrophobicContact CE1-CG 4.38Å; F231-L235 HydrophobicContact CE2-CD1 4.06Å; F231-L235 HydrophobicContact CE2-CD2 3.76Å; F231-L235 HydrophobicContact CE2-CG 3.75Å; F231-L235 HydrophobicContact CZ-CD1 3.55Å; F231-L235 HydrophobicContact CZ-CD2 3.83Å; F231-L235 HydrophobicContact CZ-CG 3.78Å; F231-L235 PolarHBondContact O-N 2.83Å; T232-L235 WeakPolarHBondContact O-CB 3.43Å; T232-L235 PolarHBondContact O-N 2.95Å; T232-L235 VanDerWaalsContact O-N 3.11Å; L235-Q239 WeakPolarHBondContact O-CA 3.46Å; L235-Q239 PolarHBondContact O-N 2.85Å; L235-P240 HydrophobicContact CD2-CG 3.88Å; L235-P240 WeakPolarHBondContact O-CD 3.3Å; L235-L260 HydrophobicContact CD1-CD2 3.75Å; L235-Y265 HydrophobicContact CB-CE1 3.99Å; L235-Y265 HydrophobicContact CD1-CD1 4.12Å; L235-Y265 HydrophobicContact CD1-CE1 3.95Å; L235-Y265 HydrophobicContact CD1-CE2 4.47Å; L235-Y265 HydrophobicContact CD1-CG 4.48Å; L235-I293 HydrophobicContact CD1-CD1 3.75Å; L235-I293 HydrophobicContact CD2-CD1 4.25Å; L235-Y313 HydrophobicContact CD2-CD2 4.35Å; L235-Y313 HydrophobicContact CD2-CE2 3.76Å
236D94Very high96Very high19 Ų1928.8 Ų28.810%0.10215%0.145CC..Hα-helixtrans-65.4-42.1-179.6-67.8-12.1000111.5T232 F234 Q239 Y265 V374 A377 R378T232-D236 VanDerWaalsContact O-CG 3.32Å; T232-D236 PolarHBondContact O-N 3.46Å; F234-D236 VanDerWaalsContact C-N 3.32Å; F234-D236 PolarHBondContact O-N 2.94Å; D236-Q239 WeakPolarHBondContact O-CG 3.41Å; D236-Y265 PolarHBondContact OD1-OH 3.01Å; D236-V374 HydrophobicContact CB-CG1 4.11Å; D236-A377 VanDerWaalsContact O-CB 3.24Å; D236-A377 WeakPolarHBondContact O-CB 3.34Å; D236-R378 HydrophobicContact CB-CG 4.41Å; D236-R378 IonicContact OD2-CZ 2.7Å; D236-R378 VanDerWaalsContact OD2-CZ 3.3Å; D236-R378 IonicContact OD2-NE 2.67Å; D236-R378 PolarHBondContact OD2-NE 3.4Å; D236-R378 IonicContact OD2-NH2 3.26Å; D236-R378 PolarHBondContact OD2-NH2 3.36Å
237V95.9Very high96.1Very high52 Ų5224.9 Ų24.932%0.31513%0.127SC..Hα-helixtrans-77.5-38.8-178.4172.10000112.8N233 F234 P369 E373 V374 A377N233-V237 WeakPolarHBondContact O-CB 3.27Å; N233-V237 WeakPolarHBondContact O-CG2 3.38Å; N233-V237 PolarHBondContact O-N 3.27Å; N233-V237 VanDerWaalsContact O-N 3.1Å; F234-V237 PolarHBondContact O-N 2.98Å; V237-P369 HydrophobicContact CB-CG 4.44Å; V237-P369 HydrophobicContact CG2-CB 3.9Å; V237-P369 HydrophobicContact CG2-CG 4.17Å; V237-E373 HydrophobicContact CG2-CB 4.35Å; V237-V374 HydrophobicContact CG2-CG2 4.13Å; V237-A377 HydrophobicContact CG2-CB 4.18Å
238H96.3Very high95.9Very high47 Ų4727.3 Ų27.322%0.21814%0.136CC..Hα-helixtrans-83.2-21.5-178.5-65.4172.4000113.5F234 Y313F234-H238 AromaticContact CD1-CE1 3.42Å; F234-H238 VanDerWaalsContact CD1-CE1 3.42Å; F234-H238 WeakPolarHBondContact CD1-CE1 3.32Å; F234-H238 AromaticContact CD1-NE2 3.55Å; F234-H238 WeakPolarHBondContact O-CB 3.4Å; F234-H238 VanDerWaalsContact O-CG 3.26Å; F234-H238 PolarHBondContact O-N 3.27Å; H238-Y313 AromaticContact ND1-CZ 3.96Å; H238-Y313 PolarHBondContact ND1-OH 3.12Å
239Q93.8Very high95.8Very high87 Ų8729 Ų2941%0.40715%0.147SC..  trans44.157.8-179.4-59.3-178.7-16.300113.4L235 D236 E241 A377L235-Q239 WeakPolarHBondContact O-CA 3.46Å; L235-Q239 PolarHBondContact O-N 2.85Å; D236-Q239 WeakPolarHBondContact O-CG 3.41Å; Q239-E241 PolarHBondContact O-N 3.42Å; Q239-A377 PolarHBondContact NE2-O 2.8Å
240P95.1Very high95.7Very high15 Ų1530.6 Ų30.610%0.09715%0.15CC..  trans-64.7134.5-174.528.6-36.4000112.3L235 A243 H311L235-P240 HydrophobicContact CD2-CG 3.88Å; L235-P240 WeakPolarHBondContact O-CD 3.3Å; P240-A243 HydrophobicContact CB-CB 4.05Å; P240-A243 HydrophobicContact CG-CB 4.05Å; P240-H311 HydrophobicContact CB-CB 3.86Å; P240-H311 VanDerWaalsContact CB-ND1 3.33Å; P240-H311 WeakPolarHBondContact CB-ND1 3.49Å
241E92.7Very high95.6Very high142 Ų14234.2 Ų34.266%0.66416%0.163SC*.SBendtrans-59.1-54.9171.1-67.9-177.2171.500110.8Q239 N292 S310Q239-E241 PolarHBondContact O-N 3.42Å; E241-N292 WeakPolarHBondContact O-CB 3.31Å; E241-S310 PolarHBondContact N-OG 3.05Å
242L94.3Very high95.5Very high10 Ų1034.5 Ų34.55%0.05216%0.164CC..SBendtrans-137.1132.9173.7-69.7178.7000109.3F286 N292 S310 H311L242-F286 HydrophobicContact CB-CE2 4.45Å; L242-F286 HydrophobicContact CB-CZ 4.07Å; L242-F286 HydrophobicContact CD2-CD2 4.27Å; L242-F286 HydrophobicContact CD2-CE2 3.95Å; L242-F286 HydrophobicContact CD2-CZ 4.22Å; L242-N292 WeakPolarHBondContact CA-O 3.26Å; L242-N292 HydrophobicContact CD2-CB 4.3Å; L242-S310 PolarHBondContact N-OG 2.93Å; L242-S310 PolarHBondContact O-N 2.74Å; L242-S310 PolarHBondContact O-OG 2.95Å; L242-H311 PolarHBondContact O-N 3.17Å; L242-H311 VanDerWaalsContact O-N 3.12Å
243A96.9Very high95.6Very high0 Ų034.2 Ų34.20%016%0.162CC..EExtended strand (participates in β ladder)trans-127.4139.4-179.800000112.3P240 N292 I293 L294 H311 Y313P240-A243 HydrophobicContact CB-CB 4.05Å; P240-A243 HydrophobicContact CG-CB 4.05Å; A243-N292 PolarHBondContact N-O 2.85Å; A243-I293 HydrophobicContact CB-CG1 4.28Å; A243-I293 WeakPolarHBondContact O-CA 3.5Å; A243-L294 PolarHBondContact O-N 2.9Å; A243-H311 VanDerWaalsContact CA-O 3.29Å; A243-H311 WeakPolarHBondContact CA-O 3.26Å; A243-H311 HydrophobicContact CB-CB 4.23Å; A243-Y313 HydrophobicContact CB-CD2 4.15Å; A243-Y313 HydrophobicContact CB-CE2 4.05Å
244I97Very high95.6Very high1 Ų135.7 Ų35.71%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-110.7129.5166.6-60.3-177.1000109.1F246 F286 L294 V309 H311 V312 Y313 R330I244-F246 HydrophobicContact CB-CE2 4.32Å; I244-F246 HydrophobicContact CG2-CD2 4.05Å; I244-F246 HydrophobicContact CG2-CE1 4.49Å; I244-F246 HydrophobicContact CG2-CE2 3.5Å; I244-F246 HydrophobicContact CG2-CZ 3.76Å; I244-F286 HydrophobicContact CD1-CE1 4.48Å; I244-F286 HydrophobicContact CG1-CE1 4.23Å; I244-F286 HydrophobicContact CG1-CZ 3.98Å; I244-L294 CarbonylContact C-O 3.45Å; I244-L294 WeakPolarHBondContact CA-O 3.2Å; I244-L294 HydrophobicContact CG1-CB 4.35Å; I244-L294 HydrophobicContact CG1-CD2 4.48Å; I244-V309 HydrophobicContact CD1-CG1 4.24Å; I244-V309 HydrophobicContact CD1-CG2 3.86Å; I244-V309 HydrophobicContact CG1-CG1 3.96Å; I244-V309 HydrophobicContact CG1-CG2 4.12Å; I244-H311 PolarHBondContact N-O 3.13Å; I244-V312 CarbonylContact O-C 3.58Å; I244-V312 WeakPolarHBondContact O-CA 3.33Å; I244-Y313 PolarHBondContact O-N 3.14Å; I244-R330 HydrophobicContact CD1-CB 3.98Å; I244-R330 HydrophobicContact CD1-CG 4.24Å
245V98.3Very high95.6Very high0 Ų037.9 Ų37.90%018%0.18CC..EExtended strand (participates in β ladder)trans-116.8121.5-177-169.90000109.6F231 L256 I293 L294 V295 A296 Y313 F315F231-V245 HydrophobicContact CE1-CG1 4.22Å; F231-V245 HydrophobicContact CE1-CG2 4.27Å; F231-V245 HydrophobicContact CE2-CG1 4.35Å; F231-V245 HydrophobicContact CE2-CG2 4.1Å; F231-V245 HydrophobicContact CZ-CB 4.33Å; F231-V245 HydrophobicContact CZ-CG1 3.9Å; F231-V245 HydrophobicContact CZ-CG2 3.44Å; F231-V245 VanDerWaalsContact CZ-CG2 3.44Å; V245-L256 HydrophobicContact CG1-CD2 3.73Å; V245-I293 HydrophobicContact CG2-CG2 3.67Å; V245-L294 PolarHBondContact N-O 3.05Å; V245-V295 HydrophobicContact CB-CG1 4.41Å; V245-V295 HydrophobicContact CB-CG2 4.35Å; V245-V295 CarbonylContact O-C 3.34Å; V245-V295 WeakPolarHBondContact O-CA 3.39Å; V245-A296 PolarHBondContact O-N 3.03Å; V245-Y313 CarbonylContact C-O 3.59Å; V245-Y313 WeakPolarHBondContact CA-O 3.48Å; V245-Y313 HydrophobicContact CG2-CD2 4.39Å; V245-F315 HydrophobicContact CG1-CB 3.84Å
246F98Very high95.6Very high2 Ų237.7 Ų37.71%0.00918%0.179CC..EExtended strand (participates in β ladder)trans-98.2113.8-176.4-73.1-86.6000112.3I244 A296 A301 V312 Y313 F315 D316 R327 R330I244-F246 HydrophobicContact CB-CE2 4.32Å; I244-F246 HydrophobicContact CG2-CD2 4.05Å; I244-F246 HydrophobicContact CG2-CE1 4.49Å; I244-F246 HydrophobicContact CG2-CE2 3.5Å; I244-F246 HydrophobicContact CG2-CZ 3.76Å; F246-A296 WeakPolarHBondContact CA-O 3.48Å; F246-A301 HydrophobicContact CD1-CB 4.25Å; F246-A301 HydrophobicContact CE1-CB 3.24Å; F246-A301 HydrophobicContact CZ-CB 3.77Å; F246-V312 HydrophobicContact CD2-CG1 3.86Å; F246-V312 HydrophobicContact CE2-CG1 3.77Å; F246-Y313 PolarHBondContact N-O 2.92Å; F246-F315 PolarHBondContact O-N 3.29Å; F246-D316 PolarHBondContact O-N 3.22Å; F246-D316 VanDerWaalsContact O-N 3.14Å; F246-R327 HydrophobicContact CD1-CG 3.69Å; F246-R327 HydrophobicContact CD2-CB 3.87Å; F246-R327 HydrophobicContact CD2-CG 3.87Å; F246-R327 HydrophobicContact CE1-CB 4.32Å; F246-R327 HydrophobicContact CE1-CG 3.62Å; F246-R327 HydrophobicContact CE2-CB 3.66Å; F246-R327 HydrophobicContact CE2-CG 3.85Å; F246-R327 HydrophobicContact CG-CB 4.31Å; F246-R327 HydrophobicContact CG-CG 3.78Å; F246-R327 HydrophobicContact CZ-CB 3.9Å; F246-R327 HydrophobicContact CZ-CG 3.72Å; F246-R330 HydrophobicContact CE2-CG 4.37Å; F246-R330 HydrophobicContact CZ-CG 4.03Å
247G96.3Very high95.8Very high1 Ų137.4 Ų37.41%0.0118%0.178CC..  trans-100.4149.5169.300000111.7A296G247-A296 PolarHBondContact N-O 2.97Å
248R92.9Very high95.9Very high51 Ų5138.7 Ų38.719%0.19219%0.189CC..SBendtrans-74.6-39.2-178.6-172.6-177.6-58.5145.84.2113.1D316 E348 K437 L439R248-D316 HydrophobicContact CB-CB 3.84Å; R248-D316 WeakPolarHBondContact CB-OD2 3.2Å; R248-D316 PolarHBondContact N-OD2 3.31Å; R248-E348 IonicContact NH2-OE1 3.29Å; R248-E348 PolarHBondContact NH2-OE1 3.25Å; R248-K437 PolarHBondContact NH1-O 2.86Å; R248-L439 VanDerWaalsContact CZ-CD2 3.48Å
249T93.7Very high95.9Very high41 Ų4136.6 Ų36.625%0.25218%0.18SC..SBendtrans-121.9152.1-172.172.30000110.8R251 R252 V253T249-R251 PolarHBondContact O-N 2.98Å; T249-R252 PolarHBondContact O-N 3.35Å; T249-R252 VanDerWaalsContact O-N 3.09Å; T249-R252 WeakPolarHBondContact OG1-CB 3.28Å; T249-R252 WeakPolarHBondContact OG1-CG 3.39Å; T249-R252 PolarHBondContact OG1-N 3.26Å; T249-R252 VanDerWaalsContact OG1-N 3.17Å; T249-V253 PolarHBondContact O-N 2.89Å
250K94.1Very high96Very high108 Ų10832.5 Ų32.547%0.4716%0.161SC..Hα-helixtrans-53.7-43.9175.259.4178-172.9177.30112.3R252 V253 D254 H271 D273K250-R252 VanDerWaalsContact C-N 3.33Å; K250-R252 PolarHBondContact O-N 2.87Å; K250-V253 WeakPolarHBondContact O-CB 3.31Å; K250-V253 PolarHBondContact O-N 3.1Å; K250-V253 VanDerWaalsContact O-N 3.11Å; K250-D254 PolarHBondContact O-N 2.97Å; K250-H271 HydrophobicContact CB-CB 3.93Å; K250-D273 WeakPolarHBondContact CD-OD2 3.23Å; K250-D273 WeakPolarHBondContact CE-OD2 3.4Å; K250-D273 IonicContact NZ-OD1 2.74Å; K250-D273 IonicContact NZ-OD2 3.8Å; K250-D273 PolarHBondContact NZ-OD2 3.04Å
251R95Very high96Very high89 Ų8936.2 Ų36.234%0.33618%0.179SC..Hα-helixtrans-59.1-43.4177.5-175.6-175.573.195.7-2.9111.7T249 D254 E255 T434 E436T249-R251 PolarHBondContact O-N 2.98Å; R251-D254 PolarHBondContact O-N 2.79Å; R251-E255 WeakPolarHBondContact CG-OE1 3.44Å; R251-E255 IonicContact CZ-OE1 3.19Å; R251-E255 IonicContact NH1-OE1 2.74Å; R251-E255 PolarHBondContact NH1-OE1 3.17Å; R251-E255 IonicContact NH1-OE2 3.75Å; R251-E255 WeakPolarHBondContact O-CB 3.41Å; R251-E255 WeakPolarHBondContact O-CG 3.49Å; R251-E255 PolarHBondContact O-N 3.46Å; R251-T434 PolarHBondContact NH1-OG1 2.98Å; R251-E436 IonicContact CZ-OE2 2.74Å; R251-E436 IonicContact NH2-OE2 3.66Å; R251-E436 PolarHBondContact NH2-OE2 3.35Å
252R94.6Very high96Very high7 Ų731.9 Ų31.93%0.02617%0.165CC..Hα-helixtrans-66-38.4175.8-76.8177.574.784.5-16.8112.3E224 T249 K250 D254 L256 D316E224-R252 IonicContact OE1-CZ 3.46Å; E224-R252 IonicContact OE1-NH1 3.42Å; E224-R252 PolarHBondContact OE1-NH1 3.28Å; E224-R252 IonicContact OE1-NH2 3.3Å; E224-R252 PolarHBondContact OE1-NH2 3.4Å; E224-R252 IonicContact OE2-NH2 2.65Å; T249-R252 PolarHBondContact O-N 3.35Å; T249-R252 VanDerWaalsContact O-N 3.09Å; T249-R252 WeakPolarHBondContact OG1-CB 3.28Å; T249-R252 WeakPolarHBondContact OG1-CG 3.39Å; T249-R252 PolarHBondContact OG1-N 3.26Å; T249-R252 VanDerWaalsContact OG1-N 3.17Å; K250-R252 VanDerWaalsContact C-N 3.33Å; K250-R252 PolarHBondContact O-N 2.87Å; R252-D254 VanDerWaalsContact C-N 3.35Å; R252-L256 WeakPolarHBondContact O-CB 3.33Å; R252-L256 PolarHBondContact O-N 3.49Å; R252-D316 WeakPolarHBondContact CD-OD2 3.27Å; R252-D316 IonicContact CZ-OD1 2.73Å; R252-D316 VanDerWaalsContact CZ-OD1 3.26Å; R252-D316 IonicContact CZ-OD2 2.92Å; R252-D316 VanDerWaalsContact NE-CG 3.33Å; R252-D316 IonicContact NE-OD1 2.76Å; R252-D316 PolarHBondContact NE-OD1 3.42Å; R252-D316 IonicContact NE-OD2 2.61Å; R252-D316 PolarHBondContact NE-OD2 3.48Å; R252-D316 IonicContact NH2-OD1 3.82Å; R252-D316 PolarHBondContact NH2-OD1 3.11Å; R252-D316 IonicContact NH2-OD2 2.82Å
253V97.4Very high95.9Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-60.8-46.1174.3169.50000110.6T249 K250 T257 V295 T297T249-V253 PolarHBondContact O-N 2.89Å; K250-V253 WeakPolarHBondContact O-CB 3.31Å; K250-V253 PolarHBondContact O-N 3.1Å; K250-V253 VanDerWaalsContact O-N 3.11Å; V253-T257 VanDerWaalsContact O-CB 3.3Å; V253-T257 WeakPolarHBondContact O-CB 3.29Å; V253-T257 PolarHBondContact O-N 3.01Å; V253-T257 PolarHBondContact O-OG1 2.69Å; V253-V295 HydrophobicContact CB-CG1 4.25Å; V253-V295 HydrophobicContact CG1-CB 4.25Å; V253-V295 HydrophobicContact CG1-CG1 3.97Å; V253-V295 WeakPolarHBondContact CG1-O 3.15Å; V253-V295 HydrophobicContact CG2-CG1 4.21Å; V253-T297 HydrophobicContact CG2-CG2 3.62Å
254D97.4Very high95.6Very high70 Ų7035 Ų3537%0.37419%0.194SC..Hα-helixtrans-63.6-51.6178.5-66.5-32.8000111.9K250 R251 R252 L256 T257 S258 H271K250-D254 PolarHBondContact O-N 2.97Å; R251-D254 PolarHBondContact O-N 2.79Å; R252-D254 VanDerWaalsContact C-N 3.35Å; D254-L256 PolarHBondContact O-N 3.04Å; D254-T257 PolarHBondContact O-N 2.85Å; D254-S258 PolarHBondContact O-N 3.03Å; D254-S258 PolarHBondContact O-OG 2.88Å; D254-H271 IonicContact OD1-CD2 3.79Å; D254-H271 PolarHBondContact OD1-CD2 3Å; D254-H271 IonicContact OD1-CE1 3.01Å; D254-H271 IonicContact OD1-NE2 2.72Å; D254-H271 PolarHBondContact OD1-NE2 3.18Å; D254-H271 IonicContact OD2-CE1 3.4Å; D254-H271 IonicContact OD2-NE2 2.73Å
255E97.1Very high95.5Very high48 Ų4836.6 Ų36.622%0.22420%0.2CC..Hα-helixtrans-60.4-44.9179.8-72.2178.1-157.800111.8R251 T257 S258 A259 L433 T434R251-E255 WeakPolarHBondContact CG-OE1 3.44Å; R251-E255 IonicContact CZ-OE1 3.19Å; R251-E255 IonicContact NH1-OE1 2.74Å; R251-E255 PolarHBondContact NH1-OE1 3.17Å; R251-E255 IonicContact NH1-OE2 3.75Å; R251-E255 WeakPolarHBondContact O-CB 3.41Å; R251-E255 WeakPolarHBondContact O-CG 3.49Å; R251-E255 PolarHBondContact O-N 3.46Å; E255-T257 VanDerWaalsContact C-N 3.34Å; E255-T257 PolarHBondContact O-N 2.9Å; E255-S258 PolarHBondContact O-N 2.78Å; E255-A259 VanDerWaalsContact O-CB 3.23Å; E255-A259 WeakPolarHBondContact O-CB 3.38Å; E255-A259 PolarHBondContact O-N 2.85Å; E255-L433 HydrophobicContact CB-CD2 4.08Å; E255-T434 VanDerWaalsContact CD-OG1 3.27Å; E255-T434 PolarHBondContact OE1-OG1 2.97Å; E255-T434 WeakPolarHBondContact OE2-CB 3.41Å; E255-T434 PolarHBondContact OE2-N 3.34Å; E255-T434 PolarHBondContact OE2-OG1 3.27Å
256L97.8Very high95.4Very high2 Ų242.8 Ų42.81%0.0123%0.227CC..Hα-helixtrans-64.9-39.4178.3-178.858000111.7F228 F231 V245 R252 D254 A259 L260 V295 F315 L433F228-L256 HydrophobicContact CD2-CD1 3.55Å; F228-L256 HydrophobicContact CE2-CD1 3.7Å; F231-L256 HydrophobicContact CD1-CD1 4.11Å; F231-L256 HydrophobicContact CE1-CD1 4.19Å; V245-L256 HydrophobicContact CG1-CD2 3.73Å; R252-L256 WeakPolarHBondContact O-CB 3.33Å; R252-L256 PolarHBondContact O-N 3.49Å; D254-L256 PolarHBondContact O-N 3.04Å; L256-A259 PolarHBondContact O-N 3.03Å; L256-L260 HydrophobicContact CD1-CD1 4.39Å; L256-L260 HydrophobicContact CD1-CG 4.35Å; L256-L260 HydrophobicContact CG-CD1 4.22Å; L256-L260 WeakPolarHBondContact O-CB 3.33Å; L256-L260 VanDerWaalsContact O-CG 3.27Å; L256-L260 WeakPolarHBondContact O-CG 3.49Å; L256-L260 PolarHBondContact O-N 3.26Å; L256-V295 HydrophobicContact CB-CG1 4.26Å; L256-V295 HydrophobicContact CD2-CG1 3.76Å; L256-V295 HydrophobicContact CG-CG1 4.13Å; L256-V295 HydrophobicContact CG-CG2 4.44Å; L256-F315 HydrophobicContact CD1-CE2 4.26Å; L256-F315 HydrophobicContact CD1-CZ 4.34Å; L256-F315 HydrophobicContact CD2-CB 4.29Å; L256-F315 HydrophobicContact CD2-CD1 4.1Å; L256-F315 HydrophobicContact CD2-CD2 4.2Å; L256-F315 HydrophobicContact CD2-CE1 4.49Å; L256-F315 HydrophobicContact CD2-CG 3.93Å; L256-L433 HydrophobicContact CD1-CD1 4.25Å
257T98Very high95.4Very high13 Ų1343 Ų438%0.0823%0.229CC..Hα-helixtrans-63.5-48.9176.2-57.70000110.8V253 D254 E255 A259 L260 I261 G269V253-T257 VanDerWaalsContact O-CB 3.3Å; V253-T257 WeakPolarHBondContact O-CB 3.29Å; V253-T257 PolarHBondContact O-N 3.01Å; V253-T257 PolarHBondContact O-OG1 2.69Å; D254-T257 PolarHBondContact O-N 2.85Å; E255-T257 VanDerWaalsContact C-N 3.34Å; E255-T257 PolarHBondContact O-N 2.9Å; T257-A259 VanDerWaalsContact C-N 3.31Å; T257-A259 PolarHBondContact O-N 3.37Å; T257-L260 PolarHBondContact O-N 3.12Å; T257-I261 HydrophobicContact CG2-CD1 3.91Å; T257-I261 VanDerWaalsContact O-CG1 3.3Å; T257-I261 WeakPolarHBondContact O-CG1 3.44Å; T257-I261 PolarHBondContact O-N 2.85Å; T257-G269 WeakPolarHBondContact OG1-CA 3.48Å
258S96.9Very high95.4Very high79 Ų7944.3 Ų44.355%0.55224%0.235SC*.Hα-helixtrans-60.7-41.9177.3-65.60000112.1D254 E255 I261 S262D254-S258 PolarHBondContact O-N 3.03Å; D254-S258 PolarHBondContact O-OG 2.88Å; E255-S258 PolarHBondContact O-N 2.78Å; S258-I261 PolarHBondContact O-N 2.99Å; S258-S262 PolarHBondContact O-N 2.86Å; S258-S262 PolarHBondContact O-OG 2.71Å
259A96.3Very high95.6Very high3 Ų342.3 Ų42.33%0.02523%0.23CC..Hα-helixtrans-62.5-44.917800000112.4F228 E255 L256 T257 S262 K263 V431 L433F228-A259 HydrophobicContact CD2-CB 4.23Å; F228-A259 HydrophobicContact CE1-CB 4.01Å; F228-A259 HydrophobicContact CE2-CB 3.55Å; F228-A259 HydrophobicContact CZ-CB 3.43Å; F228-A259 VanDerWaalsContact CZ-CB 3.43Å; E255-A259 VanDerWaalsContact O-CB 3.23Å; E255-A259 WeakPolarHBondContact O-CB 3.38Å; E255-A259 PolarHBondContact O-N 2.85Å; L256-A259 PolarHBondContact O-N 3.03Å; T257-A259 VanDerWaalsContact C-N 3.31Å; T257-A259 PolarHBondContact O-N 3.37Å; A259-S262 WeakPolarHBondContact CA-OG 3.29Å; A259-S262 PolarHBondContact O-N 2.7Å; A259-S262 PolarHBondContact O-OG 3.44Å; A259-K263 WeakPolarHBondContact O-CG 3.3Å; A259-K263 PolarHBondContact O-N 2.97Å; A259-K263 VanDerWaalsContact O-N 3.08Å; A259-V431 HydrophobicContact CB-CB 4.46Å; A259-V431 HydrophobicContact CB-CG1 3.47Å; A259-V431 VanDerWaalsContact CB-CG1 3.47Å; A259-L433 HydrophobicContact CB-CD2 3.7Å
260L96.9Very high95.6Very high0 Ų040.4 Ų40.40%022%0.218CC..Hα-helixtrans-60.7-46.3175.5-77.8169.6000112F228 F231 T232 L235 L256 T257 S262 K263 G264 Y265 A267 I293 V295F228-L260 HydrophobicContact CE2-CD2 4.28Å; F228-L260 HydrophobicContact CE2-CG 4.26Å; F231-L260 HydrophobicContact CD1-CD2 4.49Å; F231-L260 HydrophobicContact CE1-CD1 4.13Å; F231-L260 HydrophobicContact CE1-CD2 3.86Å; F231-L260 HydrophobicContact CE1-CG 4.38Å; T232-L260 HydrophobicContact CG2-CD2 4.36Å; L235-L260 HydrophobicContact CD1-CD2 3.75Å; L256-L260 HydrophobicContact CD1-CD1 4.39Å; L256-L260 HydrophobicContact CD1-CG 4.35Å; L256-L260 HydrophobicContact CG-CD1 4.22Å; L256-L260 WeakPolarHBondContact O-CB 3.33Å; L256-L260 VanDerWaalsContact O-CG 3.27Å; L256-L260 WeakPolarHBondContact O-CG 3.49Å; L256-L260 PolarHBondContact O-N 3.26Å; T257-L260 PolarHBondContact O-N 3.12Å; L260-S262 VanDerWaalsContact C-N 3.31Å; L260-S262 PolarHBondContact O-N 3.21Å; L260-K263 CarbonylContact O-C 3.53Å; L260-K263 WeakPolarHBondContact O-CA 3.5Å; L260-K263 PolarHBondContact O-N 3.3Å; L260-K263 VanDerWaalsContact O-N 3.09Å; L260-G264 PolarHBondContact O-N 3.24Å; L260-Y265 HydrophobicContact CB-CD2 4.4Å; L260-Y265 HydrophobicContact CD2-CD2 3.56Å; L260-Y265 HydrophobicContact CD2-CE2 4.12Å; L260-Y265 HydrophobicContact CD2-CG 3.94Å; L260-Y265 WeakPolarHBondContact O-CB 3.32Å; L260-Y265 WeakPolarHBondContact O-CD2 3.39Å; L260-Y265 PolarHBondContact O-N 3.38Å; L260-A267 HydrophobicContact CB-CB 3.73Å; L260-A267 HydrophobicContact CD1-CB 3.78Å; L260-A267 HydrophobicContact CG-CB 4.42Å; L260-I293 HydrophobicContact CD1-CG2 3.86Å; L260-V295 HydrophobicContact CD1-CG2 3.71Å
261I95.3Very high95.6Very high94 Ų9435.9 Ų35.948%0.48220%0.199SC..Hα-helixtrans-61.8-41.8178.3-66.8166.5000110.7T257 S258 K263 G264 A267T257-I261 HydrophobicContact CG2-CD1 3.91Å; T257-I261 VanDerWaalsContact O-CG1 3.3Å; T257-I261 WeakPolarHBondContact O-CG1 3.44Å; T257-I261 PolarHBondContact O-N 2.85Å; S258-I261 PolarHBondContact O-N 2.99Å; I261-K263 PolarHBondContact O-N 3.45Å; I261-G264 PolarHBondContact O-N 3.35Å; I261-A267 HydrophobicContact CG1-CB 4.48Å
262S93.1Very high95.1Very high51 Ų5134.6 Ų34.636%0.35721%0.213SC..Hα-helixtrans-65.7-23.917761.90000113.6S258 A259 L260 G264 V431S258-S262 PolarHBondContact O-N 2.86Å; S258-S262 PolarHBondContact O-OG 2.71Å; A259-S262 WeakPolarHBondContact CA-OG 3.29Å; A259-S262 PolarHBondContact O-N 2.7Å; A259-S262 PolarHBondContact O-OG 3.44Å; L260-S262 VanDerWaalsContact C-N 3.31Å; L260-S262 PolarHBondContact O-N 3.21Å; S262-G264 VanDerWaalsContact C-N 3.3Å; S262-V431 WeakPolarHBondContact OG-CG2 3.24Å
263K91.1Very high94.8Very high20 Ų2039.1 Ų39.19%0.08724%0.238CC..THydrogen-bonded Turntrans-89.110.2172.4-71.8-72.6-167.6179.80113F228 A259 L260 I261 Y265 N426 V429F228-K263 HydrophobicContact CE1-CG 4.02Å; F228-K263 HydrophobicContact CZ-CG 3.99Å; A259-K263 WeakPolarHBondContact O-CG 3.3Å; A259-K263 PolarHBondContact O-N 2.97Å; A259-K263 VanDerWaalsContact O-N 3.08Å; L260-K263 CarbonylContact O-C 3.53Å; L260-K263 WeakPolarHBondContact O-CA 3.5Å; L260-K263 PolarHBondContact O-N 3.3Å; L260-K263 VanDerWaalsContact O-N 3.09Å; I261-K263 PolarHBondContact O-N 3.45Å; K263-Y265 HydrophobicContact CB-CD2 3.7Å; K263-Y265 HydrophobicContact CB-CE2 3.7Å; K263-Y265 PolarHBondContact O-N 3.32Å; K263-N426 WeakPolarHBondContact CD-O 3.32Å; K263-N426 PolarHBondContact NZ-O 2.88Å; K263-N426 VanDerWaalsContact O-CG 3.23Å; K263-N426 PolarHBondContact O-ND2 2.76Å; K263-N426 PolarHBondContact O-OD1 3Å; K263-N426 VanDerWaalsContact O-OD1 3.08Å; K263-V429 HydrophobicContact CD-CB 4.44Å; K263-V429 WeakPolarHBondContact CE-O 3.32Å; K263-V429 PolarHBondContact NZ-O 3.23Å
264G91Very high94.3Very high56 Ų5641 Ų4158%0.57725%0.248SC*.THydrogen-bonded Turntrans83.32.3176.400000115.8L260 I261 S262L260-G264 PolarHBondContact O-N 3.24Å; I261-G264 PolarHBondContact O-N 3.35Å; S262-G264 VanDerWaalsContact C-N 3.3Å
265Y95Very high93.8Very high34 Ų3442 Ų4213%0.13326%0.257CS..  trans-77.2144.2178-62.6-79000112.2T232 L235 D236 L260 K263 A267 I293T232-Y265 WeakPolarHBondContact CB-OH 3.39Å; T232-Y265 HydrophobicContact CG2-CE2 3.65Å; T232-Y265 PolarHBondContact O-OH 3.08Å; L235-Y265 HydrophobicContact CB-CE1 3.99Å; L235-Y265 HydrophobicContact CD1-CD1 4.12Å; L235-Y265 HydrophobicContact CD1-CE1 3.95Å; L235-Y265 HydrophobicContact CD1-CE2 4.47Å; L235-Y265 HydrophobicContact CD1-CG 4.48Å; D236-Y265 PolarHBondContact OD1-OH 3.01Å; L260-Y265 HydrophobicContact CB-CD2 4.4Å; L260-Y265 HydrophobicContact CD2-CD2 3.56Å; L260-Y265 HydrophobicContact CD2-CE2 4.12Å; L260-Y265 HydrophobicContact CD2-CG 3.94Å; L260-Y265 WeakPolarHBondContact O-CB 3.32Å; L260-Y265 WeakPolarHBondContact O-CD2 3.39Å; L260-Y265 PolarHBondContact O-N 3.38Å; K263-Y265 HydrophobicContact CB-CD2 3.7Å; K263-Y265 HydrophobicContact CB-CE2 3.7Å; K263-Y265 PolarHBondContact O-N 3.32Å; Y265-A267 PolarHBondContact O-N 3.36Å; Y265-I293 HydrophobicContact CD1-CD1 3.91Å; Y265-I293 HydrophobicContact CG-CD1 4.13Å
266K96Very high92.9Very high129 Ų12942.2 Ų42.256%0.56126%0.258SS*.  trans-84.179.3176.6-58.7176.7-175.8170.50110.5I291 N292 I293K266-I291 WeakPolarHBondContact O-CB 3.47Å; K266-N292 PolarHBondContact O-N 3.18Å; K266-N292 PolarHBondContact O-OD1 2.73Å; K266-N292 VanDerWaalsContact O-OD1 3.13Å; K266-I293 PolarHBondContact O-N 3.39Å
267A97.5Very high92.2Very high8 Ų845.8 Ų45.87%0.06629%0.287CS..EExtended strand (participates in β ladder)trans-113.5150.5-176.100000113.7L260 I261 Y265 I293L260-A267 HydrophobicContact CB-CB 3.73Å; L260-A267 HydrophobicContact CD1-CB 3.78Å; L260-A267 HydrophobicContact CG-CB 4.42Å; I261-A267 HydrophobicContact CG1-CB 4.48Å; Y265-A267 PolarHBondContact O-N 3.36Å; A267-I293 VanDerWaalsContact CA-O 3.24Å; A267-I293 WeakPolarHBondContact CA-O 3.47Å; A267-I293 HydrophobicContact CB-CB 4.07Å; A267-I293 HydrophobicContact CB-CG2 4.19Å
268E97.1Very high91.8Very high28 Ų2848.2 Ų48.213%0.13130%0.297CS..EExtended strand (participates in β ladder)trans-144.4148167.8-155.5164.4-173.500110.4K278 V282 K285 I291 I293 V295E268-K278 VanDerWaalsContact OE1-CE 3.24Å; E268-K278 WeakPolarHBondContact OE1-CE 3.42Å; E268-K278 IonicContact OE1-NZ 3.98Å; E268-K278 PolarHBondContact OE1-NZ 3.26Å; E268-V282 HydrophobicContact CB-CG1 3.89Å; E268-V282 HydrophobicContact CG-CB 4.45Å; E268-V282 HydrophobicContact CG-CG1 3.94Å; E268-V282 HydrophobicContact CG-CG2 3.78Å; E268-V282 WeakPolarHBondContact OE1-CG2 3.24Å; E268-K285 IonicContact OE1-NZ 3.43Å; E268-K285 VanDerWaalsContact OE2-CD 3.27Å; E268-K285 WeakPolarHBondContact OE2-CD 3.35Å; E268-K285 IonicContact OE2-NZ 3.58Å; E268-K285 PolarHBondContact OE2-NZ 3.27Å; E268-I291 HydrophobicContact CB-CD1 3.47Å; E268-I291 VanDerWaalsContact CB-CD1 3.47Å; E268-I293 PolarHBondContact N-O 2.71Å; E268-I293 VanDerWaalsContact N-O 3.14Å; E268-V295 PolarHBondContact O-N 2.68Å
269G96.3Very high91.3Very high9 Ų945 Ų459%0.09327%0.273CS..EExtended strand (participates in β ladder)trans-100.9143.9-172.700000114T257 V295T257-G269 WeakPolarHBondContact OG1-CA 3.48Å; G269-V295 CarbonylContact C-O 3.57Å; G269-V295 VanDerWaalsContact CA-O 3.29Å; G269-V295 WeakPolarHBondContact CA-O 3.44Å
270L94Very high90.8Very high0 Ų047.7 Ų47.70%029%0.286CS..EExtended strand (participates in β ladder)trans-130.8117.8174.1-73.2-175.5000112.1I274 R279 V282 L283 L294 V295 A296 T297 A300L270-I274 HydrophobicContact CD2-CG2 4.19Å; L270-R279 HydrophobicContact CD2-CB 4.2Å; L270-R279 HydrophobicContact CD2-CG 4Å; L270-V282 HydrophobicContact CD1-CG1 4.26Å; L270-V282 HydrophobicContact CD2-CB 3.9Å; L270-V282 HydrophobicContact CD2-CG1 3.99Å; L270-V282 HydrophobicContact CD2-CG2 4.04Å; L270-V282 HydrophobicContact CG-CB 4.42Å; L270-V282 HydrophobicContact CG-CG1 3.96Å; L270-L283 HydrophobicContact CD1-CD2 3.65Å; L270-L283 HydrophobicContact CD1-CG 4.14Å; L270-L294 HydrophobicContact CD1-CD1 3.7Å; L270-L294 HydrophobicContact CD1-CD2 4.08Å; L270-L294 HydrophobicContact CD1-CG 4.28Å; L270-L294 HydrophobicContact CG-CD1 3.84Å; L270-V295 PolarHBondContact N-O 3.28Å; L270-A296 HydrophobicContact CB-CB 4.25Å; L270-A296 VanDerWaalsContact O-CA 3.24Å; L270-A296 WeakPolarHBondContact O-CA 3.24Å; L270-T297 PolarHBondContact O-N 2.78Å; L270-T297 VanDerWaalsContact O-N 3.13Å; L270-A300 HydrophobicContact CB-CB 4.12Å; L270-A300 WeakPolarHBondContact O-CB 3.46Å
271H93.6Very high90.5Very high13 Ų1351.7 Ų51.76%0.0631%0.305CS..  trans-146.6176.9173.86091.3000110.6K250 D254 D273 I274 T297K250-H271 HydrophobicContact CB-CB 3.93Å; D254-H271 IonicContact OD1-CD2 3.79Å; D254-H271 PolarHBondContact OD1-CD2 3Å; D254-H271 IonicContact OD1-CE1 3.01Å; D254-H271 IonicContact OD1-NE2 2.72Å; D254-H271 PolarHBondContact OD1-NE2 3.18Å; D254-H271 IonicContact OD2-CE1 3.4Å; D254-H271 IonicContact OD2-NE2 2.73Å; H271-D273 VanDerWaalsContact C-N 3.26Å; H271-D273 PolarHBondContact ND1-N 2.92Å; H271-D273 PolarHBondContact O-N 2.96Å; H271-D273 VanDerWaalsContact O-N 3.16Å; H271-I274 VanDerWaalsContact NE2-CD1 3.35Å; H271-I274 WeakPolarHBondContact NE2-CD1 3.34Å; H271-I274 WeakPolarHBondContact O-CB 3.4Å; H271-I274 WeakPolarHBondContact O-CG1 3.48Å; H271-I274 PolarHBondContact O-N 3.49Å; H271-I274 VanDerWaalsContact O-N 3.08Å; H271-T297 HydrophobicContact CB-CG2 3.97Å
272G84.4Confident90.3Very high62 Ų6247.3 Ų47.364%0.63928%0.282SS*.THydrogen-bonded Turntrans-64.1-19.1-170.800000116.6
273D88.5Confident90.1Very high102 Ų10246.2 Ų46.255%0.54527%0.272SS..THydrogen-bonded Turntrans-88.7-9.3178.3-58.8-8.9000111.8K250 H271 T275K250-D273 WeakPolarHBondContact CD-OD2 3.23Å; K250-D273 WeakPolarHBondContact CE-OD2 3.4Å; K250-D273 IonicContact NZ-OD1 2.74Å; K250-D273 IonicContact NZ-OD2 3.8Å; K250-D273 PolarHBondContact NZ-OD2 3.04Å; H271-D273 VanDerWaalsContact C-N 3.26Å; H271-D273 PolarHBondContact ND1-N 2.92Å; H271-D273 PolarHBondContact O-N 2.96Å; H271-D273 VanDerWaalsContact O-N 3.16Å; D273-T275 PolarHBondContact O-N 3.16Å
274I88.1Confident89.9Confident40 Ų4051.9 Ų51.921%0.20530%0.297CS..SBendtrans-67.5124.7176.7-62.2-61.3000108.9L270 H271 K278 R279L270-I274 HydrophobicContact CD2-CG2 4.19Å; H271-I274 VanDerWaalsContact NE2-CD1 3.35Å; H271-I274 WeakPolarHBondContact NE2-CD1 3.34Å; H271-I274 WeakPolarHBondContact O-CB 3.4Å; H271-I274 WeakPolarHBondContact O-CG1 3.48Å; H271-I274 PolarHBondContact O-N 3.49Å; H271-I274 VanDerWaalsContact O-N 3.08Å; I274-K278 HydrophobicContact CG2-CB 3.9Å; I274-K278 HydrophobicContact CG2-CG 3.9Å; I274-R279 HydrophobicContact CG2-CB 4.08Å
275T86.2Confident89.9Confident91 Ų9151.9 Ų51.956%0.55828%0.281SS*.  trans-58.6147.3177.173.10000110.2D273 A277 K278 R279D273-T275 PolarHBondContact O-N 3.16Å; T275-A277 PolarHBondContact O-N 3.28Å; T275-K278 PolarHBondContact O-N 3.32Å; T275-K278 VanDerWaalsContact O-N 3.08Å; T275-K278 WeakPolarHBondContact OG1-CB 3.21Å; T275-K278 PolarHBondContact OG1-N 3.26Å; T275-R279 PolarHBondContact O-N 3.38Å
276Q78.4Confident89.7Confident53 Ų5350.2 Ų50.225%0.24828%0.275CS..Hα-helixtrans-61.8-31.4-178.5-77.2-60.3-20.500114.2R79 L280R79-Q276 VanDerWaalsContact NH1-OE1 3.16Å; Q276-L280 WeakPolarHBondContact O-CG 3.34Å; Q276-L280 PolarHBondContact O-N 2.95Å
277A83Confident89.3Confident77 Ų7750.7 Ų50.764%0.63628%0.277SS*.Hα-helixtrans-66.4-46.217400000111T275 L280 E281T275-A277 PolarHBondContact O-N 3.28Å; A277-L280 PolarHBondContact O-N 3.1Å; A277-E281 PolarHBondContact O-N 3.36Å; A277-E281 VanDerWaalsContact O-N 3.16Å
278K88.9Confident88.8Confident64 Ų6454.5 Ų54.528%0.27830%0.296SS..Hα-helixtrans-64-43.5177.4-176.654.3168.2167.20111.7E268 I274 T275 L280 E281 V282E268-K278 VanDerWaalsContact OE1-CE 3.24Å; E268-K278 WeakPolarHBondContact OE1-CE 3.42Å; E268-K278 IonicContact OE1-NZ 3.98Å; E268-K278 PolarHBondContact OE1-NZ 3.26Å; I274-K278 HydrophobicContact CG2-CB 3.9Å; I274-K278 HydrophobicContact CG2-CG 3.9Å; T275-K278 PolarHBondContact O-N 3.32Å; T275-K278 VanDerWaalsContact O-N 3.08Å; T275-K278 WeakPolarHBondContact OG1-CB 3.21Å; T275-K278 PolarHBondContact OG1-N 3.26Å; K278-L280 VanDerWaalsContact C-N 3.28Å; K278-L280 PolarHBondContact O-N 3.46Å; K278-E281 VanDerWaalsContact CD-OE2 3.26Å; K278-E281 WeakPolarHBondContact CD-OE2 2.86Å; K278-E281 IonicContact NZ-OE1 3.3Å; K278-E281 PolarHBondContact NZ-OE1 3.07Å; K278-E281 IonicContact NZ-OE2 3.44Å; K278-E281 PolarHBondContact NZ-OE2 3.26Å; K278-E281 WeakPolarHBondContact O-CA 3.27Å; K278-E281 VanDerWaalsContact O-CB 3.3Å; K278-E281 WeakPolarHBondContact O-CB 3.43Å; K278-E281 PolarHBondContact O-N 3.37Å; K278-V282 HydrophobicContact CD-CG2 4.31Å; K278-V282 HydrophobicContact CG-CG2 4.38Å; K278-V282 VanDerWaalsContact O-CG2 3.27Å; K278-V282 WeakPolarHBondContact O-CG2 3.19Å; K278-V282 PolarHBondContact O-N 3.36Å
279R87.6Confident88.3Confident11 Ų1158.4 Ų58.44%0.04232%0.318CS..Hα-helixtrans-53-45.2175.1179.4172.817578.8-7.2112.2E80 L270 I274 T275 V282 L283 A300E80-R279 VanDerWaalsContact CD-NE 3.25Å; E80-R279 VanDerWaalsContact CG-NH2 3.28Å; E80-R279 IonicContact OE1-CZ 3.09Å; E80-R279 IonicContact OE1-NE 3.92Å; E80-R279 PolarHBondContact OE1-NE 2.92Å; E80-R279 IonicContact OE1-NH2 3.73Å; E80-R279 PolarHBondContact OE1-NH2 3.29Å; E80-R279 IonicContact OE2-NH2 3.03Å; E80-R279 PolarHBondContact OE2-NH2 3.24Å; L270-R279 HydrophobicContact CD2-CB 4.2Å; L270-R279 HydrophobicContact CD2-CG 4Å; I274-R279 HydrophobicContact CG2-CB 4.08Å; T275-R279 PolarHBondContact O-N 3.38Å; R279-V282 PolarHBondContact O-N 2.99Å; R279-L283 HydrophobicContact CG-CD1 4.25Å; R279-L283 VanDerWaalsContact O-CG 3.3Å; R279-L283 WeakPolarHBondContact O-CG 3.49Å; R279-L283 PolarHBondContact O-N 3.27Å; R279-A300 PolarHBondContact NH1-O 2.94Å; R279-A300 PolarHBondContact NH2-O 3.16Å
280L83.9Confident88.1Confident59 Ų5963.7 Ų63.731%0.30934%0.34SS..Hα-helixtrans-65.6-38.2176.8-69.3-176.3000113.2M83 Q276 A277 K278 K284M83-L280 HydrophobicContact CE-CD1 4.08Å; M83-L280 HydrophobicContact CE-CD2 3.42Å; M83-L280 VanDerWaalsContact CE-CD2 3.42Å; M83-L280 HydrophobicContact CE-CG 4.41Å; M83-L280 HydrophobicContact SD-CD1 4.38Å; M83-L280 HydrophobicContact SD-CD2 3.6Å; Q276-L280 WeakPolarHBondContact O-CG 3.34Å; Q276-L280 PolarHBondContact O-N 2.95Å; A277-L280 PolarHBondContact O-N 3.1Å; K278-L280 VanDerWaalsContact C-N 3.28Å; K278-L280 PolarHBondContact O-N 3.46Å; L280-K284 WeakPolarHBondContact O-CB 3.42Å; L280-K284 PolarHBondContact O-N 3.46Å
281E90.9Very high88.2Confident85 Ų8564.3 Ų64.340%0.39734%0.343SS..Hα-helixtrans-60.9-48174.1-173.3-157.7141.400111A277 K278 L283 K284 K285A277-E281 PolarHBondContact O-N 3.36Å; A277-E281 VanDerWaalsContact O-N 3.16Å; K278-E281 VanDerWaalsContact CD-OE2 3.26Å; K278-E281 WeakPolarHBondContact CD-OE2 2.86Å; K278-E281 IonicContact NZ-OE1 3.3Å; K278-E281 PolarHBondContact NZ-OE1 3.07Å; K278-E281 IonicContact NZ-OE2 3.44Å; K278-E281 PolarHBondContact NZ-OE2 3.26Å; K278-E281 WeakPolarHBondContact O-CA 3.27Å; K278-E281 VanDerWaalsContact O-CB 3.3Å; K278-E281 WeakPolarHBondContact O-CB 3.43Å; K278-E281 PolarHBondContact O-N 3.37Å; E281-L283 PolarHBondContact O-N 3.25Å; E281-K284 PolarHBondContact O-N 2.94Å; E281-K285 WeakPolarHBondContact O-CG 3.35Å; E281-K285 PolarHBondContact O-N 3.24Å; E281-K285 WeakPolarHBondContact OE1-CE 3.49Å; E281-K285 IonicContact OE1-NZ 2.73Å; E281-K285 PolarHBondContact OE1-NZ 2.89Å
282V91.5Very high88.2Confident1 Ų166.2 Ų66.21%0.00635%0.354CS..Hα-helixtrans-59.4-48.6177.9179.90000111E268 L270 K278 R279 K284 K285 F286 I291 L294E268-V282 HydrophobicContact CB-CG1 3.89Å; E268-V282 HydrophobicContact CG-CB 4.45Å; E268-V282 HydrophobicContact CG-CG1 3.94Å; E268-V282 HydrophobicContact CG-CG2 3.78Å; E268-V282 WeakPolarHBondContact OE1-CG2 3.24Å; L270-V282 HydrophobicContact CD1-CG1 4.26Å; L270-V282 HydrophobicContact CD2-CB 3.9Å; L270-V282 HydrophobicContact CD2-CG1 3.99Å; L270-V282 HydrophobicContact CD2-CG2 4.04Å; L270-V282 HydrophobicContact CG-CB 4.42Å; L270-V282 HydrophobicContact CG-CG1 3.96Å; K278-V282 HydrophobicContact CD-CG2 4.31Å; K278-V282 HydrophobicContact CG-CG2 4.38Å; K278-V282 VanDerWaalsContact O-CG2 3.27Å; K278-V282 WeakPolarHBondContact O-CG2 3.19Å; K278-V282 PolarHBondContact O-N 3.36Å; R279-V282 PolarHBondContact O-N 2.99Å; V282-K284 VanDerWaalsContact C-N 3.29Å; V282-K284 PolarHBondContact O-N 3.37Å; V282-K285 WeakPolarHBondContact O-CB 3.37Å; V282-K285 PolarHBondContact O-N 3.39Å; V282-F286 PolarHBondContact O-N 3.01Å; V282-I291 HydrophobicContact CG1-CD1 3.9Å; V282-L294 HydrophobicContact CG1-CD1 3.61Å
283L88.2Confident88.9Confident28 Ų2863.4 Ų63.415%0.14732%0.324CS..Hα-helixtrans-63.9-35.3179.7-68.1179.1000112.6E80 L270 R279 E281 K287 L294 L304 I306E80-L283 HydrophobicContact CG-CD1 4.27Å; L270-L283 HydrophobicContact CD1-CD2 3.65Å; L270-L283 HydrophobicContact CD1-CG 4.14Å; R279-L283 HydrophobicContact CG-CD1 4.25Å; R279-L283 VanDerWaalsContact O-CG 3.3Å; R279-L283 WeakPolarHBondContact O-CG 3.49Å; R279-L283 PolarHBondContact O-N 3.27Å; E281-L283 PolarHBondContact O-N 3.25Å; L283-K287 VanDerWaalsContact O-CB 3.3Å; L283-K287 WeakPolarHBondContact O-CB 3.19Å; L283-K287 PolarHBondContact O-N 2.93Å; L283-L294 HydrophobicContact CD2-CD2 4.22Å; L283-L304 HydrophobicContact CD1-CD2 3.74Å; L283-L304 HydrophobicContact CD2-CD1 4.4Å; L283-L304 HydrophobicContact CD2-CD2 3.42Å; L283-L304 VanDerWaalsContact CD2-CD2 3.42Å; L283-L304 HydrophobicContact CG-CD2 4.22Å; L283-I306 HydrophobicContact CD2-CD1 3.93Å
284K86.8Confident89.3Confident140 Ų14058.6 Ų58.661%0.60930%0.298SS*.Hα-helixtrans-66-43.7174.1-174.6-178.2178.3-1750111.5L280 E281 V282 K287 N288L280-K284 WeakPolarHBondContact O-CB 3.42Å; L280-K284 PolarHBondContact O-N 3.46Å; E281-K284 PolarHBondContact O-N 2.94Å; V282-K284 VanDerWaalsContact C-N 3.29Å; V282-K284 PolarHBondContact O-N 3.37Å; K284-K287 PolarHBondContact O-N 3.37Å; K284-N288 WeakPolarHBondContact O-CB 3.48Å; K284-N288 VanDerWaalsContact O-CG 3.24Å; K284-N288 PolarHBondContact O-N 2.81Å; K284-N288 VanDerWaalsContact O-N 3.12Å
285K92.2Very high89.8Confident55 Ų5556.7 Ų56.724%0.23929%0.288CS..Hα-helixtrans-61.7-44.4176.4-73.5173.8-180172.30111.8E268 E281 V282 N288 D289 Q290 I291E268-K285 IonicContact OE1-NZ 3.43Å; E268-K285 VanDerWaalsContact OE2-CD 3.27Å; E268-K285 WeakPolarHBondContact OE2-CD 3.35Å; E268-K285 IonicContact OE2-NZ 3.58Å; E268-K285 PolarHBondContact OE2-NZ 3.27Å; E281-K285 WeakPolarHBondContact O-CG 3.35Å; E281-K285 PolarHBondContact O-N 3.24Å; E281-K285 WeakPolarHBondContact OE1-CE 3.49Å; E281-K285 IonicContact OE1-NZ 2.73Å; E281-K285 PolarHBondContact OE1-NZ 2.89Å; V282-K285 WeakPolarHBondContact O-CB 3.37Å; V282-K285 PolarHBondContact O-N 3.39Å; K285-N288 CarbonylContact O-C 3.57Å; K285-N288 PolarHBondContact O-N 2.92Å; K285-D289 PolarHBondContact O-N 2.83Å; K285-Q290 HydrophobicContact CB-CB 4.05Å; K285-Q290 HydrophobicContact CG-CB 4.36Å; K285-Q290 WeakPolarHBondContact O-CB 3.29Å; K285-Q290 PolarHBondContact O-N 2.83Å; K285-I291 HydrophobicContact CB-CD1 4.21Å; K285-I291 HydrophobicContact CB-CG1 3.94Å
286F91.6Very high90.2Very high0 Ų052.3 Ų52.30%026%0.262CS..Hα-helixtrans-66.3-41.1179-170.8-108.2000112.2L242 I244 V282 N288 D289 I291 L294 I306 V309L242-F286 HydrophobicContact CB-CE2 4.45Å; L242-F286 HydrophobicContact CB-CZ 4.07Å; L242-F286 HydrophobicContact CD2-CD2 4.27Å; L242-F286 HydrophobicContact CD2-CE2 3.95Å; L242-F286 HydrophobicContact CD2-CZ 4.22Å; I244-F286 HydrophobicContact CD1-CE1 4.48Å; I244-F286 HydrophobicContact CG1-CE1 4.23Å; I244-F286 HydrophobicContact CG1-CZ 3.98Å; V282-F286 PolarHBondContact O-N 3.01Å; F286-N288 PolarHBondContact O-N 3.29Å; F286-D289 PolarHBondContact O-N 3.32Å; F286-I291 HydrophobicContact CB-CD1 3.93Å; F286-I291 HydrophobicContact CB-CG1 3.81Å; F286-I291 HydrophobicContact CD2-CD1 4.36Å; F286-I291 HydrophobicContact CD2-CG1 4.05Å; F286-I291 HydrophobicContact CG-CG1 4.44Å; F286-L294 HydrophobicContact CD1-CB 4.43Å; F286-L294 HydrophobicContact CD1-CD2 4.2Å; F286-L294 HydrophobicContact CD2-CB 3.77Å; F286-L294 HydrophobicContact CE1-CB 4.27Å; F286-L294 HydrophobicContact CE1-CD2 4.3Å; F286-L294 HydrophobicContact CE2-CB 3.59Å; F286-L294 HydrophobicContact CG-CB 4.19Å; F286-L294 HydrophobicContact CG-CD2 4.46Å; F286-L294 HydrophobicContact CZ-CB 3.85Å; F286-I306 HydrophobicContact CD1-CD1 3.48Å; F286-I306 VanDerWaalsContact CD1-CD1 3.48Å; F286-I306 HydrophobicContact CD1-CG2 3.83Å; F286-I306 HydrophobicContact CE1-CB 4.35Å; F286-I306 HydrophobicContact CE1-CD1 3.74Å; F286-I306 HydrophobicContact CE1-CG2 3.82Å; F286-V309 HydrophobicContact CE1-CG2 4.09Å; F286-V309 HydrophobicContact CZ-CG2 4.36Å
287K86.5Confident91Very high139 Ų13950.5 Ų50.560%0.60425%0.254SS*.Hα-helixtrans-65.5-25.3175.3-174.1176.8178.2-177.80113.3L283 K284L283-K287 VanDerWaalsContact O-CB 3.3Å; L283-K287 WeakPolarHBondContact O-CB 3.19Å; L283-K287 PolarHBondContact O-N 2.93Å; K284-K287 PolarHBondContact O-N 3.37Å
288N87.1Confident91.2Very high87 Ų8748.7 Ų48.747%0.46523%0.234SC..THydrogen-bonded Turntrans-102.318.2-178.3-67.5-5.5000112.6K284 K285 F286 Q290K284-N288 WeakPolarHBondContact O-CB 3.48Å; K284-N288 VanDerWaalsContact O-CG 3.24Å; K284-N288 PolarHBondContact O-N 2.81Å; K284-N288 VanDerWaalsContact O-N 3.12Å; K285-N288 CarbonylContact O-C 3.57Å; K285-N288 PolarHBondContact O-N 2.92Å; F286-N288 PolarHBondContact O-N 3.29Å; N288-Q290 HydrophobicContact CB-CG 4.15Å; N288-Q290 PolarHBondContact O-N 3Å
289D86.9Confident90.6Very high110 Ų11050.7 Ų50.759%0.58825%0.251SS*.THydrogen-bonded Turntrans56.320.6178.6-49.1-45.7000114.9K285 F286 I291K285-D289 PolarHBondContact O-N 2.83Å; F286-D289 PolarHBondContact O-N 3.32Å; D289-I291 VanDerWaalsContact C-N 3.34Å
290Q91.8Very high90.1Very high120 Ų12050.3 Ų50.356%0.56125%0.251SS*.SBendtrans-77-28.2176.1-57.1-171.5-72.800111.6K285 N288K285-Q290 HydrophobicContact CB-CB 4.05Å; K285-Q290 HydrophobicContact CG-CB 4.36Å; K285-Q290 WeakPolarHBondContact O-CB 3.29Å; K285-Q290 PolarHBondContact O-N 2.83Å; N288-Q290 HydrophobicContact CB-CG 4.15Å; N288-Q290 PolarHBondContact O-N 3Å
291I95.4Very high89.8Confident14 Ų1447.7 Ų47.77%0.07224%0.238CC..  trans-127.1142.3165.756.2171.6000107K266 E268 V282 K285 F286 D289K266-I291 WeakPolarHBondContact O-CB 3.47Å; E268-I291 HydrophobicContact CB-CD1 3.47Å; E268-I291 VanDerWaalsContact CB-CD1 3.47Å; V282-I291 HydrophobicContact CG1-CD1 3.9Å; K285-I291 HydrophobicContact CB-CD1 4.21Å; K285-I291 HydrophobicContact CB-CG1 3.94Å; F286-I291 HydrophobicContact CB-CD1 3.93Å; F286-I291 HydrophobicContact CB-CG1 3.81Å; F286-I291 HydrophobicContact CD2-CD1 4.36Å; F286-I291 HydrophobicContact CD2-CG1 4.05Å; F286-I291 HydrophobicContact CG-CG1 4.44Å; D289-I291 VanDerWaalsContact C-N 3.34Å
292N95.1Very high89Confident52 Ų5247.4 Ų47.428%0.27823%0.233SC..SBendtrans-112.5-8-178.160-1.4000113.1E241 L242 A243 K266E241-N292 WeakPolarHBondContact O-CB 3.31Å; L242-N292 WeakPolarHBondContact CA-O 3.26Å; L242-N292 HydrophobicContact CD2-CB 4.3Å; A243-N292 PolarHBondContact N-O 2.85Å; K266-N292 PolarHBondContact O-N 3.18Å; K266-N292 PolarHBondContact O-OD1 2.73Å; K266-N292 VanDerWaalsContact O-OD1 3.13Å
293I97.8Very high87.7Confident4 Ų447.7 Ų47.72%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-124.1116.7176.3-63.3159.2000109.9L235 A243 V245 L260 Y265 K266 A267 E268 V295L235-I293 HydrophobicContact CD1-CD1 3.75Å; L235-I293 HydrophobicContact CD2-CD1 4.25Å; A243-I293 HydrophobicContact CB-CG1 4.28Å; A243-I293 WeakPolarHBondContact O-CA 3.5Å; V245-I293 HydrophobicContact CG2-CG2 3.67Å; L260-I293 HydrophobicContact CD1-CG2 3.86Å; Y265-I293 HydrophobicContact CD1-CD1 3.91Å; Y265-I293 HydrophobicContact CG-CD1 4.13Å; K266-I293 PolarHBondContact O-N 3.39Å; A267-I293 VanDerWaalsContact CA-O 3.24Å; A267-I293 WeakPolarHBondContact CA-O 3.47Å; A267-I293 HydrophobicContact CB-CB 4.07Å; A267-I293 HydrophobicContact CB-CG2 4.19Å; E268-I293 PolarHBondContact N-O 2.71Å; E268-I293 VanDerWaalsContact N-O 3.14Å; I293-V295 HydrophobicContact CG2-CG2 4.2Å
294L97.2Very high86.8Confident0 Ų046.6 Ų46.60%023%0.23CC..EExtended strand (participates in β ladder)trans-103.9112174.4-174.866.3000110A243 I244 V245 L270 V282 L283 F286 L304 I306A243-L294 PolarHBondContact O-N 2.9Å; I244-L294 CarbonylContact C-O 3.45Å; I244-L294 WeakPolarHBondContact CA-O 3.2Å; I244-L294 HydrophobicContact CG1-CB 4.35Å; I244-L294 HydrophobicContact CG1-CD2 4.48Å; V245-L294 PolarHBondContact N-O 3.05Å; L270-L294 HydrophobicContact CD1-CD1 3.7Å; L270-L294 HydrophobicContact CD1-CD2 4.08Å; L270-L294 HydrophobicContact CD1-CG 4.28Å; L270-L294 HydrophobicContact CG-CD1 3.84Å; V282-L294 HydrophobicContact CG1-CD1 3.61Å; L283-L294 HydrophobicContact CD2-CD2 4.22Å; F286-L294 HydrophobicContact CD1-CB 4.43Å; F286-L294 HydrophobicContact CD1-CD2 4.2Å; F286-L294 HydrophobicContact CD2-CB 3.77Å; F286-L294 HydrophobicContact CE1-CB 4.27Å; F286-L294 HydrophobicContact CE1-CD2 4.3Å; F286-L294 HydrophobicContact CE2-CB 3.59Å; F286-L294 HydrophobicContact CG-CB 4.19Å; F286-L294 HydrophobicContact CG-CD2 4.46Å; F286-L294 HydrophobicContact CZ-CB 3.85Å; L294-L304 HydrophobicContact CD2-CD1 3.74Å; L294-I306 HydrophobicContact CD2-CD1 4.28Å
295V98.2Very high85.8Confident0 Ų042.9 Ų42.90%022%0.217CC..EExtended strand (participates in β ladder)trans-92.3125176.6-168.90000108.9V245 V253 L256 L260 E268 G269 L270 I293V245-V295 HydrophobicContact CB-CG1 4.41Å; V245-V295 HydrophobicContact CB-CG2 4.35Å; V245-V295 CarbonylContact O-C 3.34Å; V245-V295 WeakPolarHBondContact O-CA 3.39Å; V253-V295 HydrophobicContact CB-CG1 4.25Å; V253-V295 HydrophobicContact CG1-CB 4.25Å; V253-V295 HydrophobicContact CG1-CG1 3.97Å; V253-V295 WeakPolarHBondContact CG1-O 3.15Å; V253-V295 HydrophobicContact CG2-CG1 4.21Å; L256-V295 HydrophobicContact CB-CG1 4.26Å; L256-V295 HydrophobicContact CD2-CG1 3.76Å; L256-V295 HydrophobicContact CG-CG1 4.13Å; L256-V295 HydrophobicContact CG-CG2 4.44Å; L260-V295 HydrophobicContact CD1-CG2 3.71Å; E268-V295 PolarHBondContact O-N 2.68Å; G269-V295 CarbonylContact C-O 3.57Å; G269-V295 VanDerWaalsContact CA-O 3.29Å; G269-V295 WeakPolarHBondContact CA-O 3.44Å; L270-V295 PolarHBondContact N-O 3.28Å; I293-V295 HydrophobicContact CG2-CG2 4.2Å
296A96.2Very high84.8Confident0 Ų041 Ų410%021%0.209CC..EExtended strand (participates in β ladder)trans-142.4154.9-173.200000114.6V245 F246 G247 L270 A301V245-A296 PolarHBondContact O-N 3.03Å; F246-A296 WeakPolarHBondContact CA-O 3.48Å; G247-A296 PolarHBondContact N-O 2.97Å; L270-A296 HydrophobicContact CB-CB 4.25Å; L270-A296 VanDerWaalsContact O-CA 3.24Å; L270-A296 WeakPolarHBondContact O-CA 3.24Å; A296-A301 HydrophobicContact CB-CB 4.1Å
297T93.9Very high83.9Confident14 Ų1445.2 Ų45.29%0.08624%0.239CC..  trans-86.9160.2160.864.20000110.9V253 L270 H271 V299 A300 A301V253-T297 HydrophobicContact CG2-CG2 3.62Å; L270-T297 PolarHBondContact O-N 2.78Å; L270-T297 VanDerWaalsContact O-N 3.13Å; H271-T297 HydrophobicContact CB-CG2 3.97Å; T297-V299 VanDerWaalsContact C-N 3.3Å; T297-V299 PolarHBondContact O-N 3.13Å; T297-A300 CarbonylContact O-C 3.52Å; T297-A300 PolarHBondContact O-N 2.83Å; T297-A301 WeakPolarHBondContact O-CB 3.24Å; T297-A301 PolarHBondContact O-N 3.08Å
298D87.9Confident83.6Confident39 Ų3939.6 Ų39.621%0.20922%0.22CC..Hα-helixtrans-50.7-49.6176.9-69.2-63.2000112.6A300 A301 R302 R327D298-A300 PolarHBondContact O-N 2.77Å; D298-A301 PolarHBondContact O-N 2.82Å; D298-R302 WeakPolarHBondContact O-CG 3.37Å; D298-R302 PolarHBondContact O-N 3.02Å; D298-R327 IonicContact OD1-CZ 3.75Å; D298-R327 IonicContact OD1-NE 2.7Å; D298-R327 PolarHBondContact OD1-NE 2.87Å; D298-R327 IonicContact OD1-NH2 3.37Å; D298-R327 PolarHBondContact OD1-NH2 2.99Å; D298-R327 IonicContact OD2-CZ 3.27Å; D298-R327 IonicContact OD2-NE 3.45Å; D298-R327 IonicContact OD2-NH2 2.74Å; D298-R327 PolarHBondContact OD2-NH2 3.26Å
299V76.1Confident83.8Confident106 Ų10635.8 Ų35.864%0.64220%0.2SC*.Hα-helixtrans-59-38.6-179.4179.70000111.3T297T297-V299 VanDerWaalsContact C-N 3.3Å; T297-V299 PolarHBondContact O-N 3.13Å
300A76.6Confident84.2Confident4 Ų431.6 Ų31.63%0.03318%0.179CC..Hα-helixtrans-82.5-14.3179.400000113.2L270 R279 T297 D298L270-A300 HydrophobicContact CB-CB 4.12Å; L270-A300 WeakPolarHBondContact O-CB 3.46Å; R279-A300 PolarHBondContact NH1-O 2.94Å; R279-A300 PolarHBondContact NH2-O 3.16Å; T297-A300 CarbonylContact O-C 3.52Å; T297-A300 PolarHBondContact O-N 2.83Å; D298-A300 PolarHBondContact O-N 2.77Å
301A78Confident84.4Confident4 Ų426.6 Ų26.63%0.03316%0.156CC..Hα-helixtrans-98.5-12.6178.300000113.8F246 A296 T297 D298 G303 L304F246-A301 HydrophobicContact CD1-CB 4.25Å; F246-A301 HydrophobicContact CE1-CB 3.24Å; F246-A301 HydrophobicContact CZ-CB 3.77Å; A296-A301 HydrophobicContact CB-CB 4.1Å; T297-A301 WeakPolarHBondContact O-CB 3.24Å; T297-A301 PolarHBondContact O-N 3.08Å; D298-A301 PolarHBondContact O-N 2.82Å; A301-G303 PolarHBondContact O-N 2.85Å; A301-L304 HydrophobicContact CB-CD1 4.11Å; A301-L304 WeakPolarHBondContact O-CB 3.41Å; A301-L304 VanDerWaalsContact O-CG 3.31Å; A301-L304 WeakPolarHBondContact O-CG 3.47Å; A301-L304 PolarHBondContact O-N 3.49Å; A301-L304 VanDerWaalsContact O-N 3.12Å
302R73.4Confident84.5Confident79 Ų7926 Ų2630%0.29815%0.153SC..THydrogen-bonded Turntrans-58.6135.1175.4-76.8-179.6-170.8-168.8-1.1111T78 D298 L304T78-R302 HydrophobicContact CG2-CB 3.95Å; D298-R302 WeakPolarHBondContact O-CG 3.37Å; D298-R302 PolarHBondContact O-N 3.02Å; R302-L304 PolarHBondContact O-N 2.89Å
303G64.9Low84.6Confident7 Ų723.5 Ų23.57%0.07214%0.139CC..THydrogen-bonded Turntrans66.99.7-177.400000115.2E80 A301 D305E80-G303 WeakPolarHBondContact CB-O 3.27Å; A301-G303 PolarHBondContact O-N 2.85Å; G303-D305 PolarHBondContact O-N 3.45Å; G303-D305 VanDerWaalsContact O-N 3.08Å
304L68.8Low84.6Confident4 Ų423.3 Ų23.32%0.02114%0.138CC..  trans-68.3105.1166.2-66.2-174.2000108.9E80 L283 L294 A301 R302 I306 R330E80-L304 HydrophobicContact CG-CD2 4.33Å; L283-L304 HydrophobicContact CD1-CD2 3.74Å; L283-L304 HydrophobicContact CD2-CD1 4.4Å; L283-L304 HydrophobicContact CD2-CD2 3.42Å; L283-L304 VanDerWaalsContact CD2-CD2 3.42Å; L283-L304 HydrophobicContact CG-CD2 4.22Å; L294-L304 HydrophobicContact CD2-CD1 3.74Å; A301-L304 HydrophobicContact CB-CD1 4.11Å; A301-L304 WeakPolarHBondContact O-CB 3.41Å; A301-L304 VanDerWaalsContact O-CG 3.31Å; A301-L304 WeakPolarHBondContact O-CG 3.47Å; A301-L304 PolarHBondContact O-N 3.49Å; A301-L304 VanDerWaalsContact O-N 3.12Å; R302-L304 PolarHBondContact O-N 2.89Å; L304-I306 HydrophobicContact CB-CD1 4.31Å; L304-I306 HydrophobicContact CB-CG1 4.36Å; L304-I306 HydrophobicContact CD1-CD1 4.41Å; L304-I306 HydrophobicContact CD2-CD1 4.43Å; L304-R330 PolarHBondContact O-NH1 2.85Å
305D67Low84.7Confident62 Ų6223.3 Ų23.333%0.33214%0.139SC..  trans-102.398.5162.8-175.630.6000109.3Q84 G303 R333Q84-D305 HydrophobicContact CG-CB 3.89Å; Q84-D305 PolarHBondContact NE2-OD2 2.98Å; G303-D305 PolarHBondContact O-N 3.45Å; G303-D305 VanDerWaalsContact O-N 3.08Å; D305-R333 IonicContact OD1-CZ 2.8Å; D305-R333 IonicContact OD1-NH1 2.69Å; D305-R333 PolarHBondContact OD1-NH1 2.89Å
306I70.4Confident84.7Confident15 Ų1523.3 Ų23.38%0.07714%0.139CC..  trans-124.6112.5178.4-48.6178.3000105.2L283 F286 L294 L304 V309L283-I306 HydrophobicContact CD2-CD1 3.93Å; F286-I306 HydrophobicContact CD1-CD1 3.48Å; F286-I306 VanDerWaalsContact CD1-CD1 3.48Å; F286-I306 HydrophobicContact CD1-CG2 3.83Å; F286-I306 HydrophobicContact CE1-CB 4.35Å; F286-I306 HydrophobicContact CE1-CD1 3.74Å; F286-I306 HydrophobicContact CE1-CG2 3.82Å; L294-I306 HydrophobicContact CD2-CD1 4.28Å; L304-I306 HydrophobicContact CB-CD1 4.31Å; L304-I306 HydrophobicContact CB-CG1 4.36Å; L304-I306 HydrophobicContact CD1-CD1 4.41Å; L304-I306 HydrophobicContact CD2-CD1 4.43Å; I306-V309 HydrophobicContact CB-CG2 4.16Å; I306-V309 HydrophobicContact CG2-CG2 4.34Å
307S72.1Confident84.6Confident90 Ų9023.4 Ų23.463%0.62914%0.139SC*.THydrogen-bonded Turntrans-68.2147.4173.652.30000110.1
308G81.8Confident84.6Confident20 Ų2022.9 Ų22.921%0.20614%0.136CC..THydrogen-bonded Turntrans85.44.9172.800000115.3S310G308-S310 PolarHBondContact O-N 3.31Å
309V91.2Very high84.5Confident8 Ų826 Ų265%0.04815%0.149CC..  trans-62.8108.8167.8179.80000108.1I244 F286 I306 H311 V312 R330 T331I244-V309 HydrophobicContact CD1-CG1 4.24Å; I244-V309 HydrophobicContact CD1-CG2 3.86Å; I244-V309 HydrophobicContact CG1-CG1 3.96Å; I244-V309 HydrophobicContact CG1-CG2 4.12Å; F286-V309 HydrophobicContact CE1-CG2 4.09Å; F286-V309 HydrophobicContact CZ-CG2 4.36Å; I306-V309 HydrophobicContact CB-CG2 4.16Å; I306-V309 HydrophobicContact CG2-CG2 4.34Å; V309-H311 VanDerWaalsContact CG1-O 3.29Å; V309-H311 WeakPolarHBondContact CG1-O 3.3Å; V309-V312 HydrophobicContact CG1-CG2 4.28Å; V309-R330 WeakPolarHBondContact CB-O 3.47Å; V309-T331 WeakPolarHBondContact O-CA 3.4Å; V309-T331 WeakPolarHBondContact O-CB 3.39Å; V309-T331 PolarHBondContact O-OG1 3.01Å
310S93.5Very high84.8Confident21 Ų2123.9 Ų23.915%0.14713%0.134CC..  trans-78.1-37.2178.462.90000111.4E241 L242 G308 T331 G338 I339E241-S310 PolarHBondContact N-OG 3.05Å; L242-S310 PolarHBondContact N-OG 2.93Å; L242-S310 PolarHBondContact O-N 2.74Å; L242-S310 PolarHBondContact O-OG 2.95Å; G308-S310 PolarHBondContact O-N 3.31Å; S310-T331 PolarHBondContact O-OG1 2.95Å; S310-G338 WeakPolarHBondContact O-CA 3.4Å; S310-I339 PolarHBondContact O-N 2.8Å
311H96.8Very high85.1Confident16 Ų1625.3 Ų25.37%0.07414%0.142CC..EExtended strand (participates in β ladder)trans-131.2141.1-170.8-69.873000113P240 L242 A243 I244 V309 Y313 I339P240-H311 HydrophobicContact CB-CB 3.86Å; P240-H311 VanDerWaalsContact CB-ND1 3.33Å; P240-H311 WeakPolarHBondContact CB-ND1 3.49Å; L242-H311 PolarHBondContact O-N 3.17Å; L242-H311 VanDerWaalsContact O-N 3.12Å; A243-H311 VanDerWaalsContact CA-O 3.29Å; A243-H311 WeakPolarHBondContact CA-O 3.26Å; A243-H311 HydrophobicContact CB-CB 4.23Å; I244-H311 PolarHBondContact N-O 3.13Å; V309-H311 VanDerWaalsContact CG1-O 3.29Å; V309-H311 WeakPolarHBondContact CG1-O 3.3Å; H311-Y313 HydrophobicContact CB-CD2 4.26Å; H311-Y313 HydrophobicContact CB-CE2 3.6Å; H311-Y313 PolarHBondContact CD2-OH 3.05Å; H311-I339 CarbonylContact C-O 3.43Å; H311-I339 WeakPolarHBondContact CA-O 3.38Å; H311-I339 WeakPolarHBondContact NE2-CD1 3.45Å
312V96.7Very high85.3Confident0 Ų029.3 Ų29.30%016%0.161CC..EExtended strand (participates in β ladder)trans-120.8126.21681710000109.3I244 F246 V309 R330 T331 I339 A340 V341I244-V312 CarbonylContact O-C 3.58Å; I244-V312 WeakPolarHBondContact O-CA 3.33Å; F246-V312 HydrophobicContact CD2-CG1 3.86Å; F246-V312 HydrophobicContact CE2-CG1 3.77Å; V309-V312 HydrophobicContact CG1-CG2 4.28Å; V312-R330 HydrophobicContact CG2-CB 3.89Å; V312-T331 HydrophobicContact CB-CG2 4.18Å; V312-T331 HydrophobicContact CG2-CG2 3.74Å; V312-I339 PolarHBondContact N-O 2.72Å; V312-A340 CarbonylContact O-C 3.53Å; V312-A340 VanDerWaalsContact O-CA 3.28Å; V312-A340 WeakPolarHBondContact O-CA 3.45Å; V312-V341 PolarHBondContact O-N 3.19Å
313Y98.5Very high85.8Confident0 Ų026.6 Ų26.60%015%0.153CC..EExtended strand (participates in β ladder)trans-112.6112.5176.1-66.6-82.3000110F231 F234 L235 H238 A243 I244 V245 F246 H311 F315 V341 F343F231-Y313 HydrophobicContact CD2-CD1 4.04Å; F231-Y313 HydrophobicContact CD2-CG 4.16Å; F231-Y313 AromaticContact CE2-CD1 3.83Å; F231-Y313 HydrophobicContact CE2-CD1 3.83Å; F231-Y313 AromaticContact CE2-CD2 3.78Å; F231-Y313 HydrophobicContact CE2-CD2 3.78Å; F231-Y313 HydrophobicContact CE2-CE1 4.33Å; F231-Y313 HydrophobicContact CE2-CE2 4.28Å; F231-Y313 AromaticContact CE2-CG 3.53Å; F231-Y313 HydrophobicContact CE2-CG 3.53Å; F234-Y313 HydrophobicContact CB-CE1 4.18Å; L235-Y313 HydrophobicContact CD2-CD2 4.35Å; L235-Y313 HydrophobicContact CD2-CE2 3.76Å; H238-Y313 AromaticContact ND1-CZ 3.96Å; H238-Y313 PolarHBondContact ND1-OH 3.12Å; A243-Y313 HydrophobicContact CB-CD2 4.15Å; A243-Y313 HydrophobicContact CB-CE2 4.05Å; I244-Y313 PolarHBondContact O-N 3.14Å; V245-Y313 CarbonylContact C-O 3.59Å; V245-Y313 WeakPolarHBondContact CA-O 3.48Å; V245-Y313 HydrophobicContact CG2-CD2 4.39Å; F246-Y313 PolarHBondContact N-O 2.92Å; H311-Y313 HydrophobicContact CB-CD2 4.26Å; H311-Y313 HydrophobicContact CB-CE2 3.6Å; H311-Y313 PolarHBondContact CD2-OH 3.05Å; Y313-F315 VanDerWaalsContact C-N 3.32Å; Y313-F315 PolarHBondContact O-N 3.08Å; Y313-F315 VanDerWaalsContact O-N 3.11Å; Y313-V341 CarbonylContact C-O 3.54Å; Y313-V341 WeakPolarHBondContact CA-O 3.44Å; Y313-V341 HydrophobicContact CD1-CB 3.79Å; Y313-V341 HydrophobicContact CD1-CG2 4.21Å; Y313-V341 HydrophobicContact CE1-CB 3.95Å; Y313-V341 HydrophobicContact CE1-CG2 3.86Å; Y313-F343 HydrophobicContact CD1-CE2 4.1Å
314N98.4Very high87Confident0 Ų026.2 Ų26.20%015%0.15CC..EExtended strand (participates in β ladder)trans-82.582.6166.8-66.3-54.7000108.5D316 R327 V341 T342 F343N314-D316 PolarHBondContact O-N 3.03Å; N314-R327 WeakPolarHBondContact OD1-CD 3.19Å; N314-R327 PolarHBondContact OD1-NH1 2.85Å; N314-V341 PolarHBondContact N-O 2.73Å; N314-T342 HydrophobicContact CB-CG2 3.84Å; N314-T342 PolarHBondContact ND2-OG1 3.15Å; N314-F343 WeakPolarHBondContact O-CB 3.36Å; N314-F343 PolarHBondContact O-N 3.09Å
315F98.3Very high87.8Confident1 Ų129 Ų290%0.00417%0.167CC..SBendtrans-60.6-35.6177.1-169.9-96.4000111.6K227 F228 F231 V245 F246 L256 Y313 F343 L433K227-F315 HydrophobicContact CB-CE1 4.3Å; K227-F315 HydrophobicContact CB-CE2 3.91Å; K227-F315 HydrophobicContact CB-CZ 3.6Å; K227-F315 HydrophobicContact CD-CE1 4.27Å; K227-F315 HydrophobicContact CD-CZ 4.36Å; F228-F315 HydrophobicContact CB-CZ 4.5Å; F231-F315 HydrophobicContact CB-CD2 3.98Å; F231-F315 HydrophobicContact CB-CE2 3.77Å; F231-F315 HydrophobicContact CD1-CD2 4.07Å; F231-F315 HydrophobicContact CD1-CE2 4.11Å; F231-F315 AromaticContact CG-CD2 3.95Å; F231-F315 HydrophobicContact CG-CD2 3.95Å; F231-F315 HydrophobicContact CG-CE2 4.11Å; V245-F315 HydrophobicContact CG1-CB 3.84Å; F246-F315 PolarHBondContact O-N 3.29Å; L256-F315 HydrophobicContact CD1-CE2 4.26Å; L256-F315 HydrophobicContact CD1-CZ 4.34Å; L256-F315 HydrophobicContact CD2-CB 4.29Å; L256-F315 HydrophobicContact CD2-CD1 4.1Å; L256-F315 HydrophobicContact CD2-CD2 4.2Å; L256-F315 HydrophobicContact CD2-CE1 4.49Å; L256-F315 HydrophobicContact CD2-CG 3.93Å; Y313-F315 VanDerWaalsContact C-N 3.32Å; Y313-F315 PolarHBondContact O-N 3.08Å; Y313-F315 VanDerWaalsContact O-N 3.11Å; F315-F343 WeakPolarHBondContact O-CB 3.46Å; F315-L433 HydrophobicContact CE1-CD1 3.99Å; F315-L433 HydrophobicContact CZ-CD1 3.72Å
316D97.2Very high88.6Confident0 Ų029 Ų290%017%0.165CC..SBendtrans-112.4126163.3-66.5-48.5000110.7K227 F246 R248 R252 N314 R327K227-D316 IonicContact NZ-OD1 3.59Å; F246-D316 PolarHBondContact O-N 3.22Å; F246-D316 VanDerWaalsContact O-N 3.14Å; R248-D316 HydrophobicContact CB-CB 3.84Å; R248-D316 WeakPolarHBondContact CB-OD2 3.2Å; R248-D316 PolarHBondContact N-OD2 3.31Å; R252-D316 WeakPolarHBondContact CD-OD2 3.27Å; R252-D316 IonicContact CZ-OD1 2.73Å; R252-D316 VanDerWaalsContact CZ-OD1 3.26Å; R252-D316 IonicContact CZ-OD2 2.92Å; R252-D316 VanDerWaalsContact NE-CG 3.33Å; R252-D316 IonicContact NE-OD1 2.76Å; R252-D316 PolarHBondContact NE-OD1 3.42Å; R252-D316 IonicContact NE-OD2 2.61Å; R252-D316 PolarHBondContact NE-OD2 3.48Å; R252-D316 IonicContact NH2-OD1 3.82Å; R252-D316 PolarHBondContact NH2-OD1 3.11Å; R252-D316 IonicContact NH2-OD2 2.82Å; N314-D316 PolarHBondContact O-N 3.03Å; D316-R327 PolarHBondContact O-NH1 3.09Å
317I96Very high89.6Confident1 Ų128.4 Ų28.41%0.00516%0.162CC..  trans-55.1133.5172.7-168.8166.4000111.3T342 V344 E348 I352 L439I317-T342 HydrophobicContact CB-CG2 4.2Å; I317-T342 HydrophobicContact CD1-CG2 4.34Å; I317-T342 HydrophobicContact CG1-CG2 3.98Å; I317-V344 HydrophobicContact CD1-CB 4.22Å; I317-V344 HydrophobicContact CD1-CG2 3.78Å; I317-E348 HydrophobicContact CG2-CB 4.09Å; I317-E348 HydrophobicContact CG2-CG 4.26Å; I317-I352 HydrophobicContact CD1-CD1 3.58Å; I317-I352 HydrophobicContact CD1-CG1 3.7Å; I317-L439 HydrophobicContact CG2-CD1 3.94Å
318P92.3Very high90.4Very high3 Ų324.7 Ų24.72%0.01914%0.135CC..  trans-65.9155.8173.626.3-33.9000111.8Y324 I355P318-Y324 HydrophobicContact CG-CD2 3.92Å; P318-Y324 HydrophobicContact CG-CG 4.28Å; P318-I355 HydrophobicContact CG-CD1 4.25Å
319Q86Confident90.6Very high106 Ų10624.5 Ų24.550%0.49513%0.132SC..SBendtrans-84.9-12.3-176.4-64.7-177-12.100113.9L439 K442Q319-L439 HydrophobicContact CG-CD1 3.74Å; Q319-L439 HydrophobicContact CG-CD2 3.97Å; Q319-L439 VanDerWaalsContact NE2-CD2 3.29Å; Q319-K442 PolarHBondContact O-NZ 2.91Å
320D83.8Confident90.3Very high61 Ų6125.4 Ų25.433%0.32614%0.135SC..SBendtrans-149.9158.6-175.263.984.2000111.2E322 S323 Y324D320-E322 PolarHBondContact OD1-N 3.4Å; D320-S323 VanDerWaalsContact CG-OG 3.3Å; D320-S323 VanDerWaalsContact OD1-CB 3.31Å; D320-S323 WeakPolarHBondContact OD1-CB 3.24Å; D320-S323 PolarHBondContact OD1-N 3.47Å; D320-S323 PolarHBondContact OD1-OG 2.73Å; D320-S323 PolarHBondContact OD2-OG 2.72Å; D320-Y324 PolarHBondContact O-N 3.29Å
321T82.8Confident90Very high33 Ų3324.5 Ų24.520%0.20213%0.128CC..Hα-helixtrans-68-31.7-175.5-50.20000113.3Y324 T325 I355 A358 N359T321-Y324 WeakPolarHBondContact O-CB 3.45Å; T321-Y324 PolarHBondContact O-N 3.4Å; T321-T325 PolarHBondContact O-N 3.01Å; T321-T325 PolarHBondContact O-OG1 3.49Å; T321-I355 HydrophobicContact CG2-CG2 4.37Å; T321-A358 HydrophobicContact CG2-CB 3.58Å; T321-N359 WeakPolarHBondContact CG2-OD1 3.39Å
322E80.5Confident89.3Confident89 Ų8924.1 Ų24.142%0.41613%0.129SC..Hα-helixtrans-68.3-49.1-178.5-179178.6-177.200110.1N157 D320 Y324 T325 H326N157-E322 PolarHBondContact ND2-OE1 3.42Å; D320-E322 PolarHBondContact OD1-N 3.4Å; E322-Y324 VanDerWaalsContact C-N 3.27Å; E322-Y324 PolarHBondContact O-N 3Å; E322-T325 PolarHBondContact O-N 3.25Å; E322-T325 VanDerWaalsContact O-N 3.14Å; E322-H326 VanDerWaalsContact CG-CE1 3.48Å; E322-H326 WeakPolarHBondContact CG-CE1 3.29Å; E322-H326 PolarHBondContact O-N 2.88Å; E322-H326 IonicContact OE1-CE1 3.67Å
323S85Confident88.2Confident21 Ų2126 Ų2615%0.14714%0.136CC..Hα-helixtrans-54.2-44.7171.9-64.50000111.1D320 T325 H326 R327D320-S323 VanDerWaalsContact CG-OG 3.3Å; D320-S323 VanDerWaalsContact OD1-CB 3.31Å; D320-S323 WeakPolarHBondContact OD1-CB 3.24Å; D320-S323 PolarHBondContact OD1-N 3.47Å; D320-S323 PolarHBondContact OD1-OG 2.73Å; D320-S323 PolarHBondContact OD2-OG 2.72Å; S323-T325 PolarHBondContact O-N 3.04Å; S323-H326 PolarHBondContact O-N 3.06Å; S323-R327 WeakPolarHBondContact O-CG 3.48Å; S323-R327 PolarHBondContact O-N 2.85Å
324Y90.1Very high86.7Confident0 Ų031 Ų310%018%0.177CC..Hα-helixtrans-55.8-53.3174.8178.4-95.4000112.6E217 P318 D320 T321 E322 H326 R327 I328 I355 M363E217-Y324 VanDerWaalsContact OE2-CE1 3.22Å; E217-Y324 WeakPolarHBondContact OE2-CE1 3.31Å; E217-Y324 PolarHBondContact OE2-OH 3.37Å; P318-Y324 HydrophobicContact CG-CD2 3.92Å; P318-Y324 HydrophobicContact CG-CG 4.28Å; D320-Y324 PolarHBondContact O-N 3.29Å; T321-Y324 WeakPolarHBondContact O-CB 3.45Å; T321-Y324 PolarHBondContact O-N 3.4Å; E322-Y324 VanDerWaalsContact C-N 3.27Å; E322-Y324 PolarHBondContact O-N 3Å; Y324-H326 VanDerWaalsContact C-N 3.28Å; Y324-H326 PolarHBondContact O-N 2.87Å; Y324-R327 WeakPolarHBondContact O-CB 3.34Å; Y324-R327 PolarHBondContact O-N 3.23Å; Y324-R327 VanDerWaalsContact O-N 3.1Å; Y324-I328 HydrophobicContact CD1-CD1 4.25Å; Y324-I328 HydrophobicContact CD1-CG1 4.42Å; Y324-I328 HydrophobicContact CD2-CG2 4.35Å; Y324-I328 HydrophobicContact CE1-CD1 3.52Å; Y324-I328 HydrophobicContact CE1-CG1 4.07Å; Y324-I328 HydrophobicContact CE1-CG2 4.05Å; Y324-I328 HydrophobicContact CE2-CG2 3.84Å; Y324-I328 PolarHBondContact O-N 3.01Å; Y324-I355 HydrophobicContact CD1-CG2 3.32Å; Y324-I355 HydrophobicContact CD2-CD1 3.87Å; Y324-I355 HydrophobicContact CD2-CG2 4.18Å; Y324-I355 HydrophobicContact CE1-CG2 3.69Å; Y324-I355 HydrophobicContact CE2-CG2 4.47Å; Y324-I355 HydrophobicContact CG-CD1 3.96Å; Y324-I355 HydrophobicContact CG-CG1 4.34Å; Y324-I355 HydrophobicContact CG-CG2 3.59Å; Y324-M363 HydrophobicContact CD1-CE 4.35Å; Y324-M363 HydrophobicContact CD2-CE 4.23Å; Y324-M363 HydrophobicContact CE1-CE 3.67Å; Y324-M363 HydrophobicContact CE2-CE 3.52Å; Y324-M363 HydrophobicContact CE2-SD 4.22Å; Y324-M363 VanDerWaalsContact OH-CE 3.26Å; Y324-M363 WeakPolarHBondContact OH-CE 3.31Å
325T85.1Confident85.1Confident62 Ų6234.8 Ų34.838%0.3822%0.217SC..Hα-helixtrans-59.6-40.8-178.5-54.40000111.1T321 E322 S323 R327 G329T321-T325 PolarHBondContact O-N 3.01Å; T321-T325 PolarHBondContact O-OG1 3.49Å; E322-T325 PolarHBondContact O-N 3.25Å; E322-T325 VanDerWaalsContact O-N 3.14Å; S323-T325 PolarHBondContact O-N 3.04Å; T325-R327 VanDerWaalsContact C-N 3.34Å; T325-R327 PolarHBondContact O-N 3.41Å; T325-G329 PolarHBondContact O-N 2.99Å
326H83.2Confident84Confident61 Ų6140.6 Ų40.628%0.28224%0.242SC..Hα-helixtrans-67.3-31.8177.4-70.7166.3000114.2E154 E322 S323 Y324 R330E154-H326 IonicContact OE1-CE1 3.8Å; E154-H326 PolarHBondContact OE1-CE1 2.8Å; E154-H326 IonicContact OE1-NE2 2.93Å; E154-H326 IonicContact OE2-CE1 2.62Å; E322-H326 VanDerWaalsContact CG-CE1 3.48Å; E322-H326 WeakPolarHBondContact CG-CE1 3.29Å; E322-H326 PolarHBondContact O-N 2.88Å; E322-H326 IonicContact OE1-CE1 3.67Å; S323-H326 PolarHBondContact O-N 3.06Å; Y324-H326 VanDerWaalsContact C-N 3.28Å; Y324-H326 PolarHBondContact O-N 2.87Å; H326-R330 PolarHBondContact O-NE 3.36Å; H326-R330 PolarHBondContact O-NH2 2.93Å
327R91.3Very high83.5Confident4 Ų447.8 Ų47.82%0.01528%0.276CS..Hα-helixtrans-73.9-52176.6-70.3-177.7-173.6-168.8-1.6111.3F246 D298 N314 D316 S323 Y324 T325 G329 R330F246-R327 HydrophobicContact CD1-CG 3.69Å; F246-R327 HydrophobicContact CD2-CB 3.87Å; F246-R327 HydrophobicContact CD2-CG 3.87Å; F246-R327 HydrophobicContact CE1-CB 4.32Å; F246-R327 HydrophobicContact CE1-CG 3.62Å; F246-R327 HydrophobicContact CE2-CB 3.66Å; F246-R327 HydrophobicContact CE2-CG 3.85Å; F246-R327 HydrophobicContact CG-CB 4.31Å; F246-R327 HydrophobicContact CG-CG 3.78Å; F246-R327 HydrophobicContact CZ-CB 3.9Å; F246-R327 HydrophobicContact CZ-CG 3.72Å; D298-R327 IonicContact OD1-CZ 3.75Å; D298-R327 IonicContact OD1-NE 2.7Å; D298-R327 PolarHBondContact OD1-NE 2.87Å; D298-R327 IonicContact OD1-NH2 3.37Å; D298-R327 PolarHBondContact OD1-NH2 2.99Å; D298-R327 IonicContact OD2-CZ 3.27Å; D298-R327 IonicContact OD2-NE 3.45Å; D298-R327 IonicContact OD2-NH2 2.74Å; D298-R327 PolarHBondContact OD2-NH2 3.26Å; N314-R327 WeakPolarHBondContact OD1-CD 3.19Å; N314-R327 PolarHBondContact OD1-NH1 2.85Å; D316-R327 PolarHBondContact O-NH1 3.09Å; S323-R327 WeakPolarHBondContact O-CG 3.48Å; S323-R327 PolarHBondContact O-N 2.85Å; Y324-R327 WeakPolarHBondContact O-CB 3.34Å; Y324-R327 PolarHBondContact O-N 3.23Å; Y324-R327 VanDerWaalsContact O-N 3.1Å; T325-R327 VanDerWaalsContact C-N 3.34Å; T325-R327 PolarHBondContact O-N 3.41Å; R327-G329 VanDerWaalsContact C-N 3.29Å; R327-G329 PolarHBondContact O-N 2.96Å; R327-R330 WeakPolarHBondContact O-CB 3.48Å; R327-R330 VanDerWaalsContact O-CG 3.23Å; R327-R330 WeakPolarHBondContact O-CG 3.27Å; R327-R330 PolarHBondContact O-N 2.76Å
328I90.2Very high83.3Confident12 Ų1247.9 Ų47.96%0.06228%0.277CS..Hα-helixtrans-68.1-32.3-177.968.4160.6000111.6I215 E217 Y324 R330 T331 A340I215-I328 HydrophobicContact CD1-CB 4.45Å; I215-I328 HydrophobicContact CD1-CD1 4.48Å; I215-I328 HydrophobicContact CD1-CG1 4.47Å; I215-I328 WeakPolarHBondContact CD1-O 3.36Å; E217-I328 HydrophobicContact CG-CD1 4.02Å; Y324-I328 HydrophobicContact CD1-CD1 4.25Å; Y324-I328 HydrophobicContact CD1-CG1 4.42Å; Y324-I328 HydrophobicContact CD2-CG2 4.35Å; Y324-I328 HydrophobicContact CE1-CD1 3.52Å; Y324-I328 HydrophobicContact CE1-CG1 4.07Å; Y324-I328 HydrophobicContact CE1-CG2 4.05Å; Y324-I328 HydrophobicContact CE2-CG2 3.84Å; Y324-I328 PolarHBondContact O-N 3.01Å; I328-R330 PolarHBondContact O-N 3.06Å; I328-T331 VanDerWaalsContact O-CG2 3.25Å; I328-T331 WeakPolarHBondContact O-CG2 3.46Å; I328-T331 PolarHBondContact O-N 3.27Å; I328-A340 HydrophobicContact CB-CB 3.9Å; I328-A340 HydrophobicContact CG2-CB 3.53Å
329G85.1Confident83.5Confident15 Ų1549.8 Ų49.816%0.15529%0.286CS..THydrogen-bonded Turntrans-64.97.4173.600000115.2T325 R327 R333T325-G329 PolarHBondContact O-N 2.99Å; R327-G329 VanDerWaalsContact C-N 3.29Å; R327-G329 PolarHBondContact O-N 2.96Å; G329-R333 PolarHBondContact O-NE 2.77Å; G329-R333 PolarHBondContact O-NH2 3.36Å
330R85.1Confident84Confident27 Ų2744.7 Ų44.710%0.10226%0.263CS..THydrogen-bonded Turntrans-80.4-25165.7-57.4-58.9129.7-177.50.7112.9I244 F246 L304 V309 V312 H326 R327 I328I244-R330 HydrophobicContact CD1-CB 3.98Å; I244-R330 HydrophobicContact CD1-CG 4.24Å; F246-R330 HydrophobicContact CE2-CG 4.37Å; F246-R330 HydrophobicContact CZ-CG 4.03Å; L304-R330 PolarHBondContact O-NH1 2.85Å; V309-R330 WeakPolarHBondContact CB-O 3.47Å; V312-R330 HydrophobicContact CG2-CB 3.89Å; H326-R330 PolarHBondContact O-NE 3.36Å; H326-R330 PolarHBondContact O-NH2 2.93Å; R327-R330 WeakPolarHBondContact O-CB 3.48Å; R327-R330 VanDerWaalsContact O-CG 3.23Å; R327-R330 WeakPolarHBondContact O-CG 3.27Å; R327-R330 PolarHBondContact O-N 2.76Å; I328-R330 PolarHBondContact O-N 3.06Å
331T88.5Confident84.6Confident2 Ų241.8 Ų41.81%0.01225%0.247CC..SBendtrans-101.2178.3172-174.80000110.8I215 V309 S310 V312 I328 R333 G338I215-T331 HydrophobicContact CD1-CG2 4.08Å; I215-T331 HydrophobicContact CG1-CG2 4.06Å; I215-T331 HydrophobicContact CG2-CG2 4.18Å; V309-T331 WeakPolarHBondContact O-CA 3.4Å; V309-T331 WeakPolarHBondContact O-CB 3.39Å; V309-T331 PolarHBondContact O-OG1 3.01Å; S310-T331 PolarHBondContact O-OG1 2.95Å; V312-T331 HydrophobicContact CB-CG2 4.18Å; V312-T331 HydrophobicContact CG2-CG2 3.74Å; I328-T331 VanDerWaalsContact O-CG2 3.25Å; I328-T331 WeakPolarHBondContact O-CG2 3.46Å; I328-T331 PolarHBondContact O-N 3.27Å; T331-R333 VanDerWaalsContact C-N 3.34Å; T331-R333 PolarHBondContact O-N 3.29Å; T331-G338 WeakPolarHBondContact OG1-CA 3.21Å
332G81.9Confident85.4Confident8 Ų840.2 Ų40.28%0.08224%0.237CC..SBendtrans68.528.5174.600000114.4K336G332-K336 CarbonylContact C-O 3.48Å; G332-K336 VanDerWaalsContact CA-O 3.23Å; G332-K336 WeakPolarHBondContact CA-O 3.34Å
333R72.8Confident86.2Confident39 Ų3936 Ų3615%0.14722%0.218CC..  trans-91.5151.1-174.5-65.2-172.7175.4-156.50.4112.2D305 G329 T331 G335 K336D305-R333 IonicContact OD1-CZ 2.8Å; D305-R333 IonicContact OD1-NH1 2.69Å; D305-R333 PolarHBondContact OD1-NH1 2.89Å; G329-R333 PolarHBondContact O-NE 2.77Å; G329-R333 PolarHBondContact O-NH2 3.36Å; T331-R333 VanDerWaalsContact C-N 3.34Å; T331-R333 PolarHBondContact O-N 3.29Å; R333-G335 VanDerWaalsContact C-N 3.26Å; R333-G335 PolarHBondContact O-N 3.11Å; R333-K336 WeakPolarHBondContact O-CB 3.41Å; R333-K336 PolarHBondContact O-N 3.2Å; R333-K336 VanDerWaalsContact O-N 3.11Å
334A66.4Low86.8Confident105 Ų10535 Ų3587%0.86821%0.211SC*.THydrogen-bonded Turntrans53.937.4173.700000114.4K336A334-K336 VanDerWaalsContact C-N 3.28Å; A334-K336 PolarHBondContact O-N 3.14Å
335G65.6Low87.1Confident81 Ų8135.8 Ų35.884%0.83522%0.215SC*.THydrogen-bonded Turntrans79.61.417900000115.1R333R333-G335 VanDerWaalsContact C-N 3.26Å; R333-G335 PolarHBondContact O-N 3.11Å
336K75.7Confident87.5Confident122 Ų12236.2 Ų36.253%0.5322%0.219SC..  trans-76.3147.7169.3-64.8-168.2171.7-162.80110.5G332 R333 A334G332-K336 CarbonylContact C-O 3.48Å; G332-K336 VanDerWaalsContact CA-O 3.23Å; G332-K336 WeakPolarHBondContact CA-O 3.34Å; R333-K336 WeakPolarHBondContact O-CB 3.41Å; R333-K336 PolarHBondContact O-N 3.2Å; R333-K336 VanDerWaalsContact O-N 3.11Å; A334-K336 VanDerWaalsContact C-N 3.28Å; A334-K336 PolarHBondContact O-N 3.14Å
337E85.9Confident88Confident152 Ų15238.3 Ų38.371%0.7123%0.231SC*.  trans-71.2156.4167.9-65.1177.6174.500110.6Q214Q214-E337 HydrophobicContact CB-CB 4.46Å; Q214-E337 HydrophobicContact CB-CG 3.94Å; Q214-E337 CarbonylContact O-C 3.55Å; Q214-E337 WeakPolarHBondContact O-CA 3.37Å
338G92Very high88.1Confident2 Ų238.1 Ų38.12%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-144.7153.1179.700000111.6Q214 I215 E216 S310 T331Q214-G338 PolarHBondContact O-N 3.33Å; I215-G338 CarbonylContact C-O 3.54Å; I215-G338 WeakPolarHBondContact CA-O 3.22Å; E216-G338 PolarHBondContact N-O 3.09Å; S310-G338 WeakPolarHBondContact O-CA 3.4Å; T331-G338 WeakPolarHBondContact OG1-CA 3.21Å
339I95.6Very high88.3Confident43 Ų4339.2 Ų39.222%0.22124%0.235CC..EExtended strand (participates in β ladder)trans-120.2130.7175.1-66171.3000108.8E216 F218 S310 H311 V312 V341E216-I339 HydrophobicContact CB-CG1 4.38Å; F218-I339 HydrophobicContact CD2-CG2 3.99Å; F218-I339 HydrophobicContact CE2-CG2 4.09Å; S310-I339 PolarHBondContact O-N 2.8Å; H311-I339 CarbonylContact C-O 3.43Å; H311-I339 WeakPolarHBondContact CA-O 3.38Å; H311-I339 WeakPolarHBondContact NE2-CD1 3.45Å; V312-I339 PolarHBondContact N-O 2.72Å; I339-V341 HydrophobicContact CG2-CG2 3.94Å
340A96.5Very high88.7Confident0 Ų040 Ų400%024%0.236CC..EExtended strand (participates in β ladder)trans-120116.4175.900000110.7I215 E216 F218 V312 I328I215-A340 HydrophobicContact CG2-CB 3.58Å; E216-A340 PolarHBondContact O-N 2.93Å; F218-A340 PolarHBondContact N-O 2.7Å; V312-A340 CarbonylContact O-C 3.53Å; V312-A340 VanDerWaalsContact O-CA 3.28Å; V312-A340 WeakPolarHBondContact O-CA 3.45Å; I328-A340 HydrophobicContact CB-CB 3.9Å; I328-A340 HydrophobicContact CG2-CB 3.53Å
341V98.3Very high89.2Confident0 Ų039.4 Ų39.40%023%0.234CC..EExtended strand (participates in β ladder)trans-113.5125179.5-172.90000110.5F218 T220 V312 Y313 N314 I339 F343 L366F218-V341 HydrophobicContact CB-CG2 4.39Å; T220-V341 HydrophobicContact CG2-CG1 4.26Å; V312-V341 PolarHBondContact O-N 3.19Å; Y313-V341 CarbonylContact C-O 3.54Å; Y313-V341 WeakPolarHBondContact CA-O 3.44Å; Y313-V341 HydrophobicContact CD1-CB 3.79Å; Y313-V341 HydrophobicContact CD1-CG2 4.21Å; Y313-V341 HydrophobicContact CE1-CB 3.95Å; Y313-V341 HydrophobicContact CE1-CG2 3.86Å; N314-V341 PolarHBondContact N-O 2.73Å; I339-V341 HydrophobicContact CG2-CG2 3.94Å; V341-F343 HydrophobicContact CB-CE2 4.49Å; V341-F343 HydrophobicContact CG1-CD2 4.34Å; V341-F343 HydrophobicContact CG1-CE2 3.87Å; V341-L366 HydrophobicContact CG1-CD2 4.48Å; V341-L366 HydrophobicContact CG2-CD2 4.36Å
342T98.4Very high89.5Confident0 Ų039.3 Ų39.30%023%0.233CC..EExtended strand (participates in β ladder)trans-111.2118.5-179.1-57.20000112.7F218 Y219 T220 N314 I317 I352F218-T342 PolarHBondContact O-N 2.76Å; Y219-T342 CarbonylContact C-O 3.43Å; Y219-T342 VanDerWaalsContact CA-O 3.27Å; Y219-T342 WeakPolarHBondContact CA-O 3.4Å; T220-T342 PolarHBondContact N-O 3.32Å; N314-T342 HydrophobicContact CB-CG2 3.84Å; N314-T342 PolarHBondContact ND2-OG1 3.15Å; I317-T342 HydrophobicContact CB-CG2 4.2Å; I317-T342 HydrophobicContact CD1-CG2 4.34Å; I317-T342 HydrophobicContact CG1-CG2 3.98Å; T342-I352 HydrophobicContact CG2-CD1 3.93Å
343F98.5Very high90Very high0 Ų045.4 Ų45.40%025%0.254CS..EExtended strand (participates in β ladder)trans-83.6121.2178.9-72.6-119000108.6T220 V222 K227 T230 F231 F234 Y313 N314 F315 V341T220-F343 HydrophobicContact CG2-CB 4.47Å; T220-F343 HydrophobicContact CG2-CD1 3.95Å; T220-F343 HydrophobicContact CG2-CD2 4.02Å; T220-F343 HydrophobicContact CG2-CE1 4.05Å; T220-F343 HydrophobicContact CG2-CE2 4.11Å; T220-F343 HydrophobicContact CG2-CG 3.89Å; T220-F343 HydrophobicContact CG2-CZ 4.11Å; V222-F343 HydrophobicContact CG1-CB 4.25Å; V222-F343 HydrophobicContact CG1-CD1 3.74Å; V222-F343 HydrophobicContact CG1-CG 4.41Å; K227-F343 HydrophobicContact CG-CD1 4.34Å; T230-F343 HydrophobicContact CG2-CE1 3.87Å; F231-F343 HydrophobicContact CB-CE1 3.72Å; F231-F343 HydrophobicContact CB-CZ 3.72Å; F231-F343 HydrophobicContact CD2-CE2 4.29Å; F231-F343 HydrophobicContact CD2-CZ 4.02Å; F231-F343 HydrophobicContact CG-CZ 4.34Å; F234-F343 HydrophobicContact CD2-CE1 4.36Å; F234-F343 HydrophobicContact CD2-CE2 4.43Å; F234-F343 AromaticContact CD2-CZ 3.66Å; F234-F343 HydrophobicContact CD2-CZ 3.66Å; F234-F343 HydrophobicContact CE2-CZ 4.2Å; Y313-F343 HydrophobicContact CD1-CE2 4.1Å; N314-F343 WeakPolarHBondContact O-CB 3.36Å; N314-F343 PolarHBondContact O-N 3.09Å; F315-F343 WeakPolarHBondContact O-CB 3.46Å; V341-F343 HydrophobicContact CB-CE2 4.49Å; V341-F343 HydrophobicContact CG1-CD2 4.34Å; V341-F343 HydrophobicContact CG1-CE2 3.87Å
344V97.2Very high90.8Very high0 Ų046.7 Ų46.70%026%0.261CS..EExtended strand (participates in β ladder)trans-130.1128.2-175.263.30000110.4Y219 T220 I221 V222 I317 E348 M349 I352Y219-V344 HydrophobicContact CD2-CG1 3.93Å; T220-V344 WeakPolarHBondContact O-CG1 3.17Å; T220-V344 PolarHBondContact O-N 3.49Å; I221-V344 WeakPolarHBondContact CA-O 3.33Å; I221-V344 HydrophobicContact CG1-CG1 4.08Å; V222-V344 PolarHBondContact N-O 3.01Å; I317-V344 HydrophobicContact CD1-CB 4.22Å; I317-V344 HydrophobicContact CD1-CG2 3.78Å; V344-E348 HydrophobicContact CG2-CB 3.65Å; V344-M349 HydrophobicContact CG1-SD 3.71Å; V344-M349 HydrophobicContact CG2-SD 4Å; V344-I352 HydrophobicContact CB-CD1 4.44Å; V344-I352 HydrophobicContact CB-CG1 4.16Å; V344-I352 HydrophobicContact CG1-CG1 4.2Å; V344-I352 HydrophobicContact CG2-CG1 3.88Å
345N95.5Very high92Very high16 Ų1641.8 Ų41.89%0.08622%0.221CC..  trans-72.8147.7168.1-166.4-78.9000109.7V222 I347 E348 P438V222-N345 WeakPolarHBondContact O-CA 3.48Å; N345-I347 PolarHBondContact O-N 2.87Å; N345-I347 PolarHBondContact OD1-N 3.4Å; N345-E348 HydrophobicContact CB-CB 4.41Å; N345-E348 HydrophobicContact CB-CG 4.02Å; N345-E348 WeakPolarHBondContact CB-OE2 3.41Å; N345-E348 PolarHBondContact N-OE2 3.09Å; N345-E348 WeakPolarHBondContact O-CA 3.37Å; N345-E348 WeakPolarHBondContact O-CB 3.22Å; N345-E348 PolarHBondContact O-N 3.31Å; N345-P438 HydrophobicContact CB-CB 3.93Å; N345-P438 HydrophobicContact CB-CG 4.03Å
346P93.3Very high93.2Very high72 Ų7239.5 Ų39.547%0.46819%0.188SC..G310 helixtrans-48.2-33.8176.9-31.534000115.5I221 E348 M349I221-P346 HydrophobicContact CG2-CG 3.71Å; P346-E348 VanDerWaalsContact C-N 3.3Å; P346-E348 PolarHBondContact O-N 3.43Å; P346-M349 WeakPolarHBondContact O-CG 3.42Å
347I93.6Very high93.9Very high105 Ų10540 Ų4054%0.53820%0.197SC..G310 helixtrans-73.1-24.1178.7-58.6173000112.1N345N345-I347 PolarHBondContact O-N 2.87Å; N345-I347 PolarHBondContact OD1-N 3.4Å
348E95Very high93.6Very high0 Ų035.9 Ų35.90%019%0.189CC..G310 helixtrans-88-0.8-178-62.7174.1140.700112.9R248 I317 V344 N345 P346 D350 Y351 P438 L439R248-E348 IonicContact NH2-OE1 3.29Å; R248-E348 PolarHBondContact NH2-OE1 3.25Å; I317-E348 HydrophobicContact CG2-CB 4.09Å; I317-E348 HydrophobicContact CG2-CG 4.26Å; V344-E348 HydrophobicContact CG2-CB 3.65Å; N345-E348 HydrophobicContact CB-CB 4.41Å; N345-E348 HydrophobicContact CB-CG 4.02Å; N345-E348 WeakPolarHBondContact CB-OE2 3.41Å; N345-E348 PolarHBondContact N-OE2 3.09Å; N345-E348 WeakPolarHBondContact O-CA 3.37Å; N345-E348 WeakPolarHBondContact O-CB 3.22Å; N345-E348 PolarHBondContact O-N 3.31Å; P346-E348 VanDerWaalsContact C-N 3.3Å; P346-E348 PolarHBondContact O-N 3.43Å; E348-D350 PolarHBondContact O-N 3Å; E348-Y351 HydrophobicContact CB-CD2 4.22Å; E348-Y351 WeakPolarHBondContact O-CB 3.34Å; E348-Y351 WeakPolarHBondContact O-CD2 3.43Å; E348-Y351 PolarHBondContact O-N 3.1Å; E348-P438 HydrophobicContact CG-CB 3.94Å; E348-P438 WeakPolarHBondContact OE1-CA 3.46Å; E348-L439 HydrophobicContact CG-CB 4.16Å; E348-L439 PolarHBondContact OE1-N 2.71Å
349M94.4Very high93.1Very high34 Ų3438.1 Ų38.117%0.16720%0.2CC..Hα-helixtrans-57.1-26.1-178.9-77.5-57.3-5500114.7Y219 I221 V344 P346 Y351 I352 R353Y219-M349 HydrophobicContact CD2-CE 4.37Å; Y219-M349 HydrophobicContact CD2-SD 4.4Å; Y219-M349 HydrophobicContact CE2-CE 3.86Å; Y219-M349 HydrophobicContact CE2-SD 4.23Å; I221-M349 HydrophobicContact CD1-SD 4.01Å; I221-M349 HydrophobicContact CG1-SD 3.97Å; V344-M349 HydrophobicContact CG1-SD 3.71Å; V344-M349 HydrophobicContact CG2-SD 4Å; P346-M349 WeakPolarHBondContact O-CG 3.42Å; M349-Y351 PolarHBondContact O-N 2.92Å; M349-I352 HydrophobicContact CE-CB 4.28Å; M349-I352 HydrophobicContact CE-CG2 4.38Å; M349-I352 PolarHBondContact O-N 3.12Å; M349-I352 HydrophobicContact SD-CG1 4.47Å; M349-R353 PolarHBondContact O-N 3.13Å
350D93.3Very high92.5Very high31 Ų3139.4 Ų39.417%0.16622%0.224CC..Hα-helixtrans-66.1-19.9175.5-78.8-8.3000112.6E348 R353 Q354 R441E348-D350 PolarHBondContact O-N 3Å; D350-R353 IonicContact OD1-NH1 2.68Å; D350-R353 PolarHBondContact OD1-NH1 3.11Å; D350-Q354 WeakPolarHBondContact O-CG 3.27Å; D350-Q354 PolarHBondContact O-N 2.94Å; D350-Q354 PolarHBondContact O-NE2 2.66Å; D350-R441 IonicContact OD1-NH2 3.39Å; D350-R441 WeakPolarHBondContact OD2-CG 3.42Å; D350-R441 IonicContact OD2-CZ 2.87Å; D350-R441 IonicContact OD2-NE 3.26Å; D350-R441 PolarHBondContact OD2-NE 2.97Å; D350-R441 IonicContact OD2-NH2 3.63Å; D350-R441 PolarHBondContact OD2-NH2 3Å
351Y94.7Very high91.9Very high15 Ų1544.9 Ų44.96%0.05925%0.245CC..Hα-helixtrans-77.7-40.4173.3-68.8-91000111.7E348 M349 R353 Q354 I355 L439 S440 K442E348-Y351 HydrophobicContact CB-CD2 4.22Å; E348-Y351 WeakPolarHBondContact O-CB 3.34Å; E348-Y351 WeakPolarHBondContact O-CD2 3.43Å; E348-Y351 PolarHBondContact O-N 3.1Å; M349-Y351 PolarHBondContact O-N 2.92Å; Y351-R353 VanDerWaalsContact C-N 3.34Å; Y351-R353 PolarHBondContact O-N 2.97Å; Y351-Q354 PolarHBondContact O-N 3.36Å; Y351-I355 VanDerWaalsContact O-CG1 3.32Å; Y351-I355 WeakPolarHBondContact O-CG1 3.41Å; Y351-I355 PolarHBondContact O-N 2.95Å; Y351-L439 HydrophobicContact CD1-CD1 4.37Å; Y351-L439 HydrophobicContact CD2-CB 4.49Å; Y351-L439 HydrophobicContact CD2-CD1 4.38Å; Y351-L439 HydrophobicContact CE1-CD1 4.01Å; Y351-L439 HydrophobicContact CE2-CB 3.63Å; Y351-L439 HydrophobicContact CE2-CD1 4.02Å; Y351-L439 HydrophobicContact CE2-CG 4.49Å; Y351-S440 PolarHBondContact OH-O 3.37Å; Y351-K442 HydrophobicContact CE1-CB 4.32Å; Y351-K442 HydrophobicContact CE1-CD 4.17Å
352I94.8Very high91.5Very high0 Ų053.9 Ų53.90%028%0.284CS..Hα-helixtrans-56.5-50.5173.4-66.3-65.4000109.9Y219 I317 T342 V344 M349 Q354 I355 E356 M363Y219-I352 HydrophobicContact CD1-CG2 4.3Å; Y219-I352 HydrophobicContact CG-CG2 4.42Å; I317-I352 HydrophobicContact CD1-CD1 3.58Å; I317-I352 HydrophobicContact CD1-CG1 3.7Å; T342-I352 HydrophobicContact CG2-CD1 3.93Å; V344-I352 HydrophobicContact CB-CD1 4.44Å; V344-I352 HydrophobicContact CB-CG1 4.16Å; V344-I352 HydrophobicContact CG1-CG1 4.2Å; V344-I352 HydrophobicContact CG2-CG1 3.88Å; M349-I352 HydrophobicContact CE-CB 4.28Å; M349-I352 HydrophobicContact CE-CG2 4.38Å; M349-I352 PolarHBondContact O-N 3.12Å; M349-I352 HydrophobicContact SD-CG1 4.47Å; I352-Q354 VanDerWaalsContact C-N 3.29Å; I352-Q354 PolarHBondContact O-N 3.44Å; I352-I355 WeakPolarHBondContact O-CB 3.3Å; I352-I355 PolarHBondContact O-N 3.03Å; I352-E356 HydrophobicContact CG2-CG 4.21Å; I352-E356 WeakPolarHBondContact O-CG 3.35Å; I352-E356 PolarHBondContact O-N 3.44Å; I352-M363 HydrophobicContact CD1-SD 3.99Å; I352-M363 HydrophobicContact CG2-SD 4.35Å
353R93.6Very high91.2Very high137 Ų13754.4 Ų54.452%0.51729%0.286SS..Hα-helixtrans-57.5-40.7179-68175.2178.4158.9-3.8113.1M349 D350 Y351 I355 E356 D357M349-R353 PolarHBondContact O-N 3.13Å; D350-R353 IonicContact OD1-NH1 2.68Å; D350-R353 PolarHBondContact OD1-NH1 3.11Å; Y351-R353 VanDerWaalsContact C-N 3.34Å; Y351-R353 PolarHBondContact O-N 2.97Å; R353-I355 VanDerWaalsContact C-N 3.33Å; R353-E356 PolarHBondContact O-N 3.42Å; R353-D357 VanDerWaalsContact O-CB 3.27Å; R353-D357 WeakPolarHBondContact O-CB 3.4Å; R353-D357 PolarHBondContact O-N 3.02Å
354Q89.7Confident91.1Very high65 Ų6557.7 Ų57.730%0.30431%0.309SS..Hα-helixtrans-64.5-39.1176.6-81.4167.663.200112.4D350 Y351 I352 A358D350-Q354 WeakPolarHBondContact O-CG 3.27Å; D350-Q354 PolarHBondContact O-N 2.94Å; D350-Q354 PolarHBondContact O-NE2 2.66Å; Y351-Q354 PolarHBondContact O-N 3.36Å; I352-Q354 VanDerWaalsContact C-N 3.29Å; I352-Q354 PolarHBondContact O-N 3.44Å; Q354-A358 WeakPolarHBondContact O-CB 3.45Å; Q354-A358 PolarHBondContact O-N 3.39Å
355I90.6Very high91.1Very high3 Ų361.1 Ų61.12%0.01534%0.337CS..Hα-helixtrans-66.1-47.7177.2-64.6161.4000109.3P318 T321 Y324 Y351 I352 R353 A358 N359 M363P318-I355 HydrophobicContact CG-CD1 4.25Å; T321-I355 HydrophobicContact CG2-CG2 4.37Å; Y324-I355 HydrophobicContact CD1-CG2 3.32Å; Y324-I355 HydrophobicContact CD2-CD1 3.87Å; Y324-I355 HydrophobicContact CD2-CG2 4.18Å; Y324-I355 HydrophobicContact CE1-CG2 3.69Å; Y324-I355 HydrophobicContact CE2-CG2 4.47Å; Y324-I355 HydrophobicContact CG-CD1 3.96Å; Y324-I355 HydrophobicContact CG-CG1 4.34Å; Y324-I355 HydrophobicContact CG-CG2 3.59Å; Y351-I355 VanDerWaalsContact O-CG1 3.32Å; Y351-I355 WeakPolarHBondContact O-CG1 3.41Å; Y351-I355 PolarHBondContact O-N 2.95Å; I352-I355 WeakPolarHBondContact O-CB 3.3Å; I352-I355 PolarHBondContact O-N 3.03Å; R353-I355 VanDerWaalsContact C-N 3.33Å; I355-A358 PolarHBondContact O-N 3.31Å; I355-N359 VanDerWaalsContact O-CB 3.32Å; I355-N359 WeakPolarHBondContact O-CB 3.3Å; I355-N359 PolarHBondContact O-N 3.21Å; I355-M363 HydrophobicContact CB-CE 3.85Å; I355-M363 HydrophobicContact CD1-CE 4.45Å; I355-M363 HydrophobicContact CG2-CE 3.26Å
356E91.8Very high91.2Very high33 Ų3362.4 Ų62.415%0.15434%0.344CS..Hα-helixtrans-59.5-47.9177.5-67-179.4129.900112.3I352 R353 A358 N359 G360 R361 K362 M363I352-E356 HydrophobicContact CG2-CG 4.21Å; I352-E356 WeakPolarHBondContact O-CG 3.35Å; I352-E356 PolarHBondContact O-N 3.44Å; R353-E356 PolarHBondContact O-N 3.42Å; E356-A358 VanDerWaalsContact C-N 3.33Å; E356-A358 PolarHBondContact O-N 3.02Å; E356-N359 PolarHBondContact O-N 3.4Å; E356-G360 WeakPolarHBondContact O-CA 3.43Å; E356-G360 PolarHBondContact O-N 2.92Å; E356-R361 WeakPolarHBondContact CA-O 3.44Å; E356-R361 VanDerWaalsContact CB-O 3.3Å; E356-R361 WeakPolarHBondContact CB-O 3.38Å; E356-R361 PolarHBondContact O-N 3.2Å; E356-K362 WeakPolarHBondContact OE1-CA 3.4Å; E356-M363 HydrophobicContact CG-CG 4.25Å; E356-M363 PolarHBondContact OE1-N 3.04Å
357D88.6Confident91.3Very high132 Ų13264.8 Ų64.871%0.70634%0.344SS*.Hα-helixtrans-61.4-41.2179.1-73.8-20000111.6R353R353-D357 VanDerWaalsContact O-CB 3.27Å; R353-D357 WeakPolarHBondContact O-CB 3.4Å; R353-D357 PolarHBondContact O-N 3.02Å
358A80.1Confident91.4Very high66 Ų6662.2 Ų62.255%0.54533%0.334SS..Hα-helixtrans-75.5-33.7-178.800000112.9T321 Q354 I355 E356T321-A358 HydrophobicContact CG2-CB 3.58Å; Q354-A358 WeakPolarHBondContact O-CB 3.45Å; Q354-A358 PolarHBondContact O-N 3.39Å; I355-A358 PolarHBondContact O-N 3.31Å; E356-A358 VanDerWaalsContact C-N 3.33Å; E356-A358 PolarHBondContact O-N 3.02Å
359N82.3Confident91.4Very high49 Ų4962.9 Ų62.926%0.26234%0.338SS..Hα-helixtrans-85.1-13.2177.3-72-3.5000112.9T321 I355 E356 R361T321-N359 WeakPolarHBondContact CG2-OD1 3.39Å; I355-N359 VanDerWaalsContact O-CB 3.32Å; I355-N359 WeakPolarHBondContact O-CB 3.3Å; I355-N359 PolarHBondContact O-N 3.21Å; E356-N359 PolarHBondContact O-N 3.4Å; N359-R361 PolarHBondContact O-N 2.9Å
360G82.6Confident91.4Very high69 Ų6966.6 Ų66.671%0.71136%0.355SS*.THydrogen-bonded Turntrans67.418.3-176.900000113.7E356E356-G360 WeakPolarHBondContact O-CA 3.43Å; E356-G360 PolarHBondContact O-N 2.92Å
361R84.5Confident91.3Very high116 Ų11673.6 Ų73.644%0.43838%0.379SS..  trans-137.4147.3-175.5-69.2-173-100.3179.1-20.7110.2D212 E356 N359D212-R361 IonicContact OD1-CZ 3.77Å; D212-R361 VanDerWaalsContact OD1-CZ 3.31Å; D212-R361 IonicContact OD1-NH1 3.54Å; D212-R361 PolarHBondContact OD1-NH1 2.92Å; D212-R361 IonicContact OD1-NH2 3.38Å; D212-R361 PolarHBondContact OD1-NH2 2.59Å; D212-R361 IonicContact OD2-CZ 3.98Å; D212-R361 IonicContact OD2-NH1 3.31Å; D212-R361 PolarHBondContact OD2-NH1 2.82Å; D212-R361 IonicContact OD2-NH2 2.95Å; E356-R361 WeakPolarHBondContact CA-O 3.44Å; E356-R361 VanDerWaalsContact CB-O 3.3Å; E356-R361 WeakPolarHBondContact CB-O 3.38Å; E356-R361 PolarHBondContact O-N 3.2Å; N359-R361 PolarHBondContact O-N 2.9Å
362K89.2Confident91.3Very high188 Ų18881.4 Ų81.482%0.81741%0.413SS*.PPolyproline II helixtrans-97.9140.1179.8-68.5-171.8177.2-178.50110.8E356E356-K362 WeakPolarHBondContact OE1-CA 3.4Å
363M93Very high91.3Very high12 Ų1284.9 Ų84.96%0.05943%0.429CS..PPolyproline II helixtrans-83.5145.9170.5-61-178.7-161.300109.7E217 Y219 Y324 I352 I355 E356E217-M363 HydrophobicContact CB-CG 4.13Å; Y219-M363 HydrophobicContact CD1-CB 3.75Å; Y219-M363 HydrophobicContact CE1-CB 4.47Å; Y324-M363 HydrophobicContact CD1-CE 4.35Å; Y324-M363 HydrophobicContact CD2-CE 4.23Å; Y324-M363 HydrophobicContact CE1-CE 3.67Å; Y324-M363 HydrophobicContact CE2-CE 3.52Å; Y324-M363 HydrophobicContact CE2-SD 4.22Å; Y324-M363 VanDerWaalsContact OH-CE 3.26Å; Y324-M363 WeakPolarHBondContact OH-CE 3.31Å; I352-M363 HydrophobicContact CD1-SD 3.99Å; I352-M363 HydrophobicContact CG2-SD 4.35Å; I355-M363 HydrophobicContact CB-CE 3.85Å; I355-M363 HydrophobicContact CD1-CE 4.45Å; I355-M363 HydrophobicContact CG2-CE 3.26Å; E356-M363 HydrophobicContact CG-CG 4.25Å; E356-M363 PolarHBondContact OE1-N 3.04Å
364S95.8Very high91.2Very high69 Ų6978.7 Ų78.748%0.48341%0.407SS..EExtended strand (participates in β ladder)trans-79.2134.1174.4-720000110.6E217 F218 Y219 L366E217-S364 PolarHBondContact O-N 3.47Å; F218-S364 CarbonylContact C-O 3.6Å; F218-S364 WeakPolarHBondContact CA-O 3.29Å; Y219-S364 PolarHBondContact N-O 2.94Å; S364-L366 PolarHBondContact O-N 2.61Å
365A96.8Very high91.3Very high71 Ų7177.8 Ų77.859%0.58740%0.404SS*.EExtended strand (participates in β ladder)trans-72.4123172.200000109.5Y219Y219-A365 HydrophobicContact CE1-CB 3.86Å; Y219-A365 HydrophobicContact CE2-CB 4.13Å; Y219-A365 WeakPolarHBondContact OH-CB 3.21Å
366L96.9Very high91.4Very high43 Ų4382 Ų8223%0.22542%0.423CS..  trans-113.8117.7176.9-169.262.1000109.6F218 Y219 T220 F234 V341 S364F218-L366 HydrophobicContact CB-CB 3.85Å; F218-L366 HydrophobicContact CB-CD2 3.97Å; F218-L366 HydrophobicContact CD1-CB 3.85Å; F218-L366 HydrophobicContact CD1-CD1 4.25Å; F218-L366 HydrophobicContact CD1-CD2 4.17Å; F218-L366 HydrophobicContact CD1-CG 4.33Å; F218-L366 HydrophobicContact CD2-CD2 4.3Å; F218-L366 HydrophobicContact CE1-CD1 4.44Å; F218-L366 HydrophobicContact CG-CB 4.08Å; F218-L366 HydrophobicContact CG-CD2 3.89Å; F218-L366 HydrophobicContact CG-CG 4.48Å; Y219-L366 PolarHBondContact O-N 2.92Å; T220-L366 WeakPolarHBondContact CA-O 3.42Å; T220-L366 WeakPolarHBondContact CB-O 3.21Å; T220-L366 PolarHBondContact OG1-O 3.46Å; F234-L366 HydrophobicContact CD1-CD2 4.2Å; F234-L366 HydrophobicContact CE1-CD2 3.34Å; F234-L366 HydrophobicContact CE1-CG 3.69Å; F234-L366 HydrophobicContact CZ-CD2 3.82Å; F234-L366 HydrophobicContact CZ-CG 3.87Å; V341-L366 HydrophobicContact CG1-CD2 4.48Å; V341-L366 HydrophobicContact CG2-CD2 4.36Å; S364-L366 PolarHBondContact O-N 2.61Å
367R96.1Very high91.5Very high123 Ų12381 Ų8146%0.46442%0.42SS..PPolyproline II helixtrans-70.8149.3175.964.2164.6-179.676.51110.3F234 H370 E373F234-R367 WeakPolarHBondContact CZ-O 3.39Å; R367-H370 VanDerWaalsContact CZ-CD2 3.45Å; R367-H370 PolarHBondContact NH1-CD2 3.43Å; R367-E373 IonicContact CZ-OE1 3.16Å; R367-E373 IonicContact CZ-OE2 3.47Å; R367-E373 IonicContact NH1-OE1 2.76Å; R367-E373 IonicContact NH1-OE2 3.51Å; R367-E373 PolarHBondContact NH1-OE2 2.74Å; R367-E373 VanDerWaalsContact NH2-CD 3.33Å; R367-E373 IonicContact NH2-OE1 2.71Å; R367-E373 PolarHBondContact NH2-OE1 2.83Å; R367-E373 IonicContact NH2-OE2 3.58Å; R367-E373 PolarHBondContact NH2-OE2 3.12Å
368P95.9Very high91.6Very high50 Ų5075.7 Ų75.733%0.32539%0.39SS..PPolyproline II helixtrans-52.5141166.8-28.637.2000111.6T230T230-P368 HydrophobicContact CG2-CB 3.94Å; T230-P368 HydrophobicContact CG2-CG 4.06Å
369P95Very high92.2Very high14 Ų1477 Ų779%0.09139%0.385CS..PPolyproline II helixtrans-62.3142.9174.8-22.734.2000111.7N233 F234 V237 V374N233-P369 HydrophobicContact CB-CB 4.36Å; N233-P369 HydrophobicContact CB-CG 4.22Å; F234-P369 HydrophobicContact CD1-CG 3.78Å; F234-P369 HydrophobicContact CE1-CG 3.86Å; F234-P369 HydrophobicContact CG-CG 4.18Å; F234-P369 HydrophobicContact CZ-CG 4.35Å; V237-P369 HydrophobicContact CB-CG 4.44Å; V237-P369 HydrophobicContact CG2-CB 3.9Å; V237-P369 HydrophobicContact CG2-CG 4.17Å; P369-V374 HydrophobicContact CB-CG2 3.93Å
370H93.7Very high92.6Very high112 Ų11278.6 Ų78.652%0.51939%0.394SS..PPolyproline II helixtrans-76.1151.2171.5-70.2-56.9000110.1R367 K372 E373 V374R367-H370 VanDerWaalsContact CZ-CD2 3.45Å; R367-H370 PolarHBondContact NH1-CD2 3.43Å; H370-K372 PolarHBondContact O-N 3.2Å; H370-E373 HydrophobicContact CB-CG 4.39Å; H370-E373 WeakPolarHBondContact CB-OE2 3.33Å; H370-E373 IonicContact CD2-OE2 3.84Å; H370-E373 IonicContact CG-OE2 3.17Å; H370-E373 PolarHBondContact N-OE2 2.96Å; H370-E373 WeakPolarHBondContact O-CB 3.38Å; H370-E373 PolarHBondContact O-N 2.65Å; H370-V374 PolarHBondContact O-N 2.71Å; H370-V374 VanDerWaalsContact O-N 3.12Å
371R91.7Very high93Very high178 Ų17877.7 Ų77.767%0.67237%0.372SS*.Hα-helixtrans-50.9-36.4177.7-172.2175.7-178.7-176.30.1113.2V374 L375R371-V374 PolarHBondContact O-N 3.42Å; R371-L375 HydrophobicContact CG-CD1 4.14Å; R371-L375 HydrophobicContact CG-CG 4.38Å; R371-L375 WeakPolarHBondContact O-CB 3.43Å; R371-L375 VanDerWaalsContact O-CG 3.31Å; R371-L375 WeakPolarHBondContact O-CG 3.23Å; R371-L375 PolarHBondContact O-N 3.16Å
372K93.7Very high93.4Very high180 Ų18072.8 Ų72.878%0.78336%0.355SS*.Hα-helixtrans-63.9-39.1176.4-66.2-171.1177.8-171.70113.1H370 Q376H370-K372 PolarHBondContact O-N 3.2Å; K372-Q376 WeakPolarHBondContact O-CB 3.47Å; K372-Q376 PolarHBondContact O-N 3.04Å
373E94.8Very high93.5Very high73 Ų7370 Ų7034%0.34134%0.343SS..Hα-helixtrans-69.7-38.9178.5-62.4170.3129.800110.5V237 R367 H370 A377V237-E373 HydrophobicContact CG2-CB 4.35Å; R367-E373 IonicContact CZ-OE1 3.16Å; R367-E373 IonicContact CZ-OE2 3.47Å; R367-E373 IonicContact NH1-OE1 2.76Å; R367-E373 IonicContact NH1-OE2 3.51Å; R367-E373 PolarHBondContact NH1-OE2 2.74Å; R367-E373 VanDerWaalsContact NH2-CD 3.33Å; R367-E373 IonicContact NH2-OE1 2.71Å; R367-E373 PolarHBondContact NH2-OE1 2.83Å; R367-E373 IonicContact NH2-OE2 3.58Å; R367-E373 PolarHBondContact NH2-OE2 3.12Å; H370-E373 HydrophobicContact CB-CG 4.39Å; H370-E373 WeakPolarHBondContact CB-OE2 3.33Å; H370-E373 IonicContact CD2-OE2 3.84Å; H370-E373 IonicContact CG-OE2 3.17Å; H370-E373 PolarHBondContact N-OE2 2.96Å; H370-E373 WeakPolarHBondContact O-CB 3.38Å; H370-E373 PolarHBondContact O-N 2.65Å; E373-A377 WeakPolarHBondContact O-CB 3.44Å; E373-A377 PolarHBondContact O-N 2.8Å
374V93.1Very high93.4Very high6 Ų674.9 Ų74.94%0.03637%0.365CS..Hα-helixtrans-64.7-47.4175.7179.90000111.2N233 D236 V237 P369 H370 R371 A377 R378N233-V374 HydrophobicContact CB-CG2 3.62Å; D236-V374 HydrophobicContact CB-CG1 4.11Å; V237-V374 HydrophobicContact CG2-CG2 4.13Å; P369-V374 HydrophobicContact CB-CG2 3.93Å; H370-V374 PolarHBondContact O-N 2.71Å; H370-V374 VanDerWaalsContact O-N 3.12Å; R371-V374 PolarHBondContact O-N 3.42Å; V374-A377 PolarHBondContact O-N 2.78Å; V374-R378 WeakPolarHBondContact O-CG 3.47Å; V374-R378 PolarHBondContact O-N 3.41Å
375L91.7Very high93.2Very high46 Ų4675.7 Ų75.724%0.24136%0.36CS..Hα-helixtrans-60.5-46.6177.4-72.6172.3000111.3R371 A377 R378 E379 V423R371-L375 HydrophobicContact CG-CD1 4.14Å; R371-L375 HydrophobicContact CG-CG 4.38Å; R371-L375 WeakPolarHBondContact O-CB 3.43Å; R371-L375 VanDerWaalsContact O-CG 3.31Å; R371-L375 WeakPolarHBondContact O-CG 3.23Å; R371-L375 PolarHBondContact O-N 3.16Å; L375-A377 VanDerWaalsContact C-N 3.34Å; L375-A377 PolarHBondContact O-N 3.27Å; L375-R378 PolarHBondContact O-N 3.16Å; L375-E379 VanDerWaalsContact O-CG 3.3Å; L375-E379 WeakPolarHBondContact O-CG 3.29Å; L375-E379 PolarHBondContact O-N 3.36Å; L375-V423 HydrophobicContact CD2-CG1 4.17Å
376Q93.3Very high92.9Very high93 Ų9374.7 Ų74.744%0.43535%0.347SS..Hα-helixtrans-57.9-45.7176.5-174.963.258.900112K372 R378 E379 D380K372-Q376 WeakPolarHBondContact O-CB 3.47Å; K372-Q376 PolarHBondContact O-N 3.04Å; Q376-R378 VanDerWaalsContact C-N 3.31Å; Q376-R378 PolarHBondContact O-N 3.33Å; Q376-E379 WeakPolarHBondContact O-CB 3.08Å; Q376-E379 PolarHBondContact O-N 2.97Å; Q376-D380 PolarHBondContact NE2-OD1 3.38Å; Q376-D380 VanDerWaalsContact O-CG 3.23Å; Q376-D380 PolarHBondContact O-N 3.5Å
377A92.8Very high92.6Very high10 Ų1078.1 Ų78.18%0.08336%0.361CS..Hα-helixtrans-65.8-34.1-179.600000112.7D236 V237 Q239 E373 V374 L375 D381D236-A377 VanDerWaalsContact O-CB 3.24Å; D236-A377 WeakPolarHBondContact O-CB 3.34Å; V237-A377 HydrophobicContact CG2-CB 4.18Å; Q239-A377 PolarHBondContact NE2-O 2.8Å; E373-A377 WeakPolarHBondContact O-CB 3.44Å; E373-A377 PolarHBondContact O-N 2.8Å; V374-A377 PolarHBondContact O-N 2.78Å; L375-A377 VanDerWaalsContact C-N 3.34Å; L375-A377 PolarHBondContact O-N 3.27Å; A377-D381 PolarHBondContact O-N 2.93Å
378R91Very high92.4Very high22 Ų2276.1 Ų76.18%0.08336%0.36CS..Hα-helixtrans-68.4-41.5172.5-70.8179-176.6177.75.3112.1D236 V374 L375 Q376 D380 D381 I382 D427D236-R378 HydrophobicContact CB-CG 4.41Å; D236-R378 IonicContact OD2-CZ 2.7Å; D236-R378 VanDerWaalsContact OD2-CZ 3.3Å; D236-R378 IonicContact OD2-NE 2.67Å; D236-R378 PolarHBondContact OD2-NE 3.4Å; D236-R378 IonicContact OD2-NH2 3.26Å; D236-R378 PolarHBondContact OD2-NH2 3.36Å; V374-R378 WeakPolarHBondContact O-CG 3.47Å; V374-R378 PolarHBondContact O-N 3.41Å; L375-R378 PolarHBondContact O-N 3.16Å; Q376-R378 VanDerWaalsContact C-N 3.31Å; Q376-R378 PolarHBondContact O-N 3.33Å; R378-D380 VanDerWaalsContact C-N 3.3Å; R378-D380 PolarHBondContact O-N 2.77Å; R378-D381 PolarHBondContact O-N 3.38Å; R378-I382 WeakPolarHBondContact O-CB 3.35Å; R378-I382 VanDerWaalsContact O-CG1 3.31Å; R378-I382 WeakPolarHBondContact O-CG1 3.46Å; R378-I382 PolarHBondContact O-N 2.76Å; R378-D427 IonicContact CZ-OD1 3.66Å; R378-D427 VanDerWaalsContact NH1-CG 3.28Å; R378-D427 IonicContact NH1-OD1 2.7Å; R378-D427 PolarHBondContact NH1-OD1 2.74Å; R378-D427 IonicContact NH1-OD2 3.64Å; R378-D427 PolarHBondContact NH1-OD2 2.7Å; R378-D427 IonicContact NH2-OD1 2.72Å; R378-D427 PolarHBondContact NH2-OD1 2.67Å
379E91.7Very high92.2Very high93 Ų9379.6 Ų79.644%0.43537%0.367SS..Hα-helixtrans-59.7-43.1175-72168.5-162.900110.9L375 Q376 I382 K383 V423L375-E379 VanDerWaalsContact O-CG 3.3Å; L375-E379 WeakPolarHBondContact O-CG 3.29Å; L375-E379 PolarHBondContact O-N 3.36Å; Q376-E379 WeakPolarHBondContact O-CB 3.08Å; Q376-E379 PolarHBondContact O-N 2.97Å; E379-I382 PolarHBondContact O-N 3.21Å; E379-K383 WeakPolarHBondContact O-CB 3.45Å; E379-K383 PolarHBondContact O-N 3.17Å; E379-V423 HydrophobicContact CG-CG2 4.44Å
380D92.4Very high91.9Very high83 Ų8386.2 Ų86.244%0.44440%0.399SS..Hα-helixtrans-65.1-45.5177.8-65.6-23.4000112.1Q376 R378 K383 E384Q376-D380 PolarHBondContact NE2-OD1 3.38Å; Q376-D380 VanDerWaalsContact O-CG 3.23Å; Q376-D380 PolarHBondContact O-N 3.5Å; R378-D380 VanDerWaalsContact C-N 3.3Å; R378-D380 PolarHBondContact O-N 2.77Å; D380-K383 WeakPolarHBondContact O-CB 3.21Å; D380-K383 PolarHBondContact O-N 3.02Å; D380-E384 PolarHBondContact O-N 2.87Å; D380-E384 VanDerWaalsContact O-N 3.11Å
381D90.8Very high91.6Very high49 Ų4985.5 Ų85.526%0.26241%0.406SS..Hα-helixtrans-62.4-42.1175.6166.571.8000112.3A377 R378 K383 E384 K385A377-D381 PolarHBondContact O-N 2.93Å; R378-D381 PolarHBondContact O-N 3.38Å; D381-K383 VanDerWaalsContact C-N 3.34Å; D381-E384 PolarHBondContact O-N 2.93Å; D381-K385 VanDerWaalsContact CG-NZ 3.35Å; D381-K385 WeakPolarHBondContact O-CG 3.4Å; D381-K385 PolarHBondContact O-N 3.05Å; D381-K385 WeakPolarHBondContact OD1-CE 3.31Å; D381-K385 IonicContact OD1-NZ 3.92Å; D381-K385 PolarHBondContact OD1-NZ 3.05Å; D381-K385 VanDerWaalsContact OD2-CE 3.29Å; D381-K385 WeakPolarHBondContact OD2-CE 3.49Å; D381-K385 IonicContact OD2-NZ 3.21Å; D381-K385 PolarHBondContact OD2-NZ 3.38Å
382I91.2Very high91.4Very high13 Ų1383.6 Ų83.67%0.06740%0.403CS..Hα-helixtrans-66.3-39.6177.6-73.3166.1000110.7R378 E379 E384 K385 V386 L419 L422 V423R378-I382 WeakPolarHBondContact O-CB 3.35Å; R378-I382 VanDerWaalsContact O-CG1 3.31Å; R378-I382 WeakPolarHBondContact O-CG1 3.46Å; R378-I382 PolarHBondContact O-N 2.76Å; E379-I382 PolarHBondContact O-N 3.21Å; I382-E384 PolarHBondContact O-N 3.37Å; I382-K385 WeakPolarHBondContact O-CB 3.4Å; I382-K385 PolarHBondContact O-N 2.93Å; I382-V386 HydrophobicContact CG2-CG2 4.22Å; I382-V386 VanDerWaalsContact O-CG2 3.29Å; I382-V386 WeakPolarHBondContact O-CG2 3.44Å; I382-V386 PolarHBondContact O-N 3.43Å; I382-L419 HydrophobicContact CG2-CD2 3.55Å; I382-L422 HydrophobicContact CD1-CB 4.02Å; I382-L422 HydrophobicContact CG2-CD1 4.5Å; I382-V423 HydrophobicContact CD1-CB 4.03Å; I382-V423 HydrophobicContact CD1-CG2 3.36Å
383K92Very high91.1Very high131 Ų13183.6 Ų83.657%0.5741%0.405SS*.Hα-helixtrans-59.1-47.6176-175.2-177.5175-172.50111.5E379 D380 D381 K385 V386 E387E379-K383 WeakPolarHBondContact O-CB 3.45Å; E379-K383 PolarHBondContact O-N 3.17Å; D380-K383 WeakPolarHBondContact O-CB 3.21Å; D380-K383 PolarHBondContact O-N 3.02Å; D381-K383 VanDerWaalsContact C-N 3.34Å; K383-K385 VanDerWaalsContact C-N 3.32Å; K383-K385 PolarHBondContact O-N 2.91Å; K383-V386 PolarHBondContact O-N 3.11Å; K383-E387 WeakPolarHBondContact O-CG 3.23Å; K383-E387 PolarHBondContact O-N 3.39Å
384E91.5Very high90.5Very high114 Ų11483.3 Ų83.353%0.53341%0.412SS..Hα-helixtrans-60.9-41.5176.4-170.6-172.1160.900111.7D380 D381 I382 E387 N388D380-E384 PolarHBondContact O-N 2.87Å; D380-E384 VanDerWaalsContact O-N 3.11Å; D381-E384 PolarHBondContact O-N 2.93Å; I382-E384 PolarHBondContact O-N 3.37Å; E384-E387 PolarHBondContact O-N 2.94Å; E384-N388 WeakPolarHBondContact O-CB 3.42Å; E384-N388 PolarHBondContact O-N 2.65Å; E384-N388 PolarHBondContact O-ND2 3.44Å; E384-N388 VanDerWaalsContact O-ND2 3.1Å
385K90.9Very high90.2Very high85 Ų8589.3 Ų89.337%0.3744%0.439SS..Hα-helixtrans-62-43.9175.5-75.4169.5179.6165.20112.4D381 I382 K383 N388 W389D381-K385 VanDerWaalsContact CG-NZ 3.35Å; D381-K385 WeakPolarHBondContact O-CG 3.4Å; D381-K385 PolarHBondContact O-N 3.05Å; D381-K385 WeakPolarHBondContact OD1-CE 3.31Å; D381-K385 IonicContact OD1-NZ 3.92Å; D381-K385 PolarHBondContact OD1-NZ 3.05Å; D381-K385 VanDerWaalsContact OD2-CE 3.29Å; D381-K385 WeakPolarHBondContact OD2-CE 3.49Å; D381-K385 IonicContact OD2-NZ 3.21Å; D381-K385 PolarHBondContact OD2-NZ 3.38Å; I382-K385 WeakPolarHBondContact O-CB 3.4Å; I382-K385 PolarHBondContact O-N 2.93Å; K383-K385 VanDerWaalsContact C-N 3.32Å; K383-K385 PolarHBondContact O-N 2.91Å; K385-N388 CarbonylContact O-C 3.5Å; K385-N388 WeakPolarHBondContact O-CB 3.49Å; K385-N388 PolarHBondContact O-N 3.24Å; K385-W389 HydrophobicContact CB-CH2 4.02Å; K385-W389 HydrophobicContact CB-CZ2 3.87Å; K385-W389 HydrophobicContact CB-CZ3 4.39Å; K385-W389 HydrophobicContact CD-CZ2 4.44Å; K385-W389 HydrophobicContact CG-CZ2 4.48Å; K385-W389 VanDerWaalsContact O-CD2 3.27Å; K385-W389 PolarHBondContact O-N 2.91Å
386V91.1Very high90Very high50 Ų5092.1 Ų92.130%0.30346%0.463SS..Hα-helixtrans-62.5-45.2177.9170.40000110.4I382 K383 N388 W389 M390 L419I382-V386 HydrophobicContact CG2-CG2 4.22Å; I382-V386 VanDerWaalsContact O-CG2 3.29Å; I382-V386 WeakPolarHBondContact O-CG2 3.44Å; I382-V386 PolarHBondContact O-N 3.43Å; K383-V386 PolarHBondContact O-N 3.11Å; V386-N388 VanDerWaalsContact C-N 3.29Å; V386-N388 PolarHBondContact O-N 3.44Å; V386-W389 HydrophobicContact CB-CE3 4.44Å; V386-W389 HydrophobicContact CG2-CE3 3.9Å; V386-W389 HydrophobicContact CG2-CZ3 3.89Å; V386-W389 PolarHBondContact O-N 2.93Å; V386-M390 HydrophobicContact CG1-CG 4.27Å; V386-M390 VanDerWaalsContact O-CG 3.27Å; V386-M390 WeakPolarHBondContact O-CG 3.46Å; V386-M390 PolarHBondContact O-N 3.31Å; V386-L419 HydrophobicContact CG2-CD2 4.24Å
387E91.3Very high90Very high115 Ų11595.7 Ų95.754%0.53747%0.472SS..Hα-helixtrans-57.1-43.8175.2-71.6176.8-174.700111.6K383 E384 W389 M390 S391K383-E387 WeakPolarHBondContact O-CG 3.23Å; K383-E387 PolarHBondContact O-N 3.39Å; E384-E387 PolarHBondContact O-N 2.94Å; E387-W389 VanDerWaalsContact C-N 3.35Å; E387-W389 PolarHBondContact O-N 3.26Å; E387-M390 PolarHBondContact O-N 2.97Å; E387-S391 PolarHBondContact O-N 3.49Å
388N91.9Very high89.9Confident82 Ų8299.8 Ų99.844%0.43949%0.492SS..Hα-helixtrans-68-27.9175.3-76.5-41.9000114.3E384 K385 V386 S391E384-N388 WeakPolarHBondContact O-CB 3.42Å; E384-N388 PolarHBondContact O-N 2.65Å; E384-N388 PolarHBondContact O-ND2 3.44Å; E384-N388 VanDerWaalsContact O-ND2 3.1Å; K385-N388 CarbonylContact O-C 3.5Å; K385-N388 WeakPolarHBondContact O-CB 3.49Å; K385-N388 PolarHBondContact O-N 3.24Å; V386-N388 VanDerWaalsContact C-N 3.29Å; V386-N388 PolarHBondContact O-N 3.44Å; N388-S391 PolarHBondContact O-OG 2.95Å; N388-S391 VanDerWaalsContact O-OG 3.07Å
389W91.1Very high89.8Confident122 Ų122103.4 Ų103.446%0.46251%0.509SS..Hα-helixtrans-77.3-37.2174.2-64.2-25.8000111.6K385 V386 E387 S391 K392 L422K385-W389 HydrophobicContact CB-CH2 4.02Å; K385-W389 HydrophobicContact CB-CZ2 3.87Å; K385-W389 HydrophobicContact CB-CZ3 4.39Å; K385-W389 HydrophobicContact CD-CZ2 4.44Å; K385-W389 HydrophobicContact CG-CZ2 4.48Å; K385-W389 VanDerWaalsContact O-CD2 3.27Å; K385-W389 PolarHBondContact O-N 2.91Å; V386-W389 HydrophobicContact CB-CE3 4.44Å; V386-W389 HydrophobicContact CG2-CE3 3.9Å; V386-W389 HydrophobicContact CG2-CZ3 3.89Å; V386-W389 PolarHBondContact O-N 2.93Å; E387-W389 VanDerWaalsContact C-N 3.35Å; E387-W389 PolarHBondContact O-N 3.26Å; W389-S391 PolarHBondContact O-N 3.31Å; W389-K392 WeakPolarHBondContact O-CB 3.3Å; W389-K392 PolarHBondContact O-N 2.94Å; W389-L422 HydrophobicContact CH2-CD1 4.38Å; W389-L422 HydrophobicContact CZ3-CD1 4.06Å
390M87.8Confident89.9Confident154 Ų154106.6 Ų106.676%0.75952%0.517SS*.Hα-helixtrans-64-24.5178-71.5-59-6500113V386 E387 K392V386-M390 HydrophobicContact CG1-CG 4.27Å; V386-M390 VanDerWaalsContact O-CG 3.27Å; V386-M390 WeakPolarHBondContact O-CG 3.46Å; V386-M390 PolarHBondContact O-N 3.31Å; E387-M390 PolarHBondContact O-N 2.97Å; M390-K392 PolarHBondContact O-N 3.41Å
391S87.8Confident89.9Confident97 Ų97105.8 Ų105.868%0.67851%0.511SS*.THydrogen-bonded Turntrans-75.8-7.7174.180.60000113.9E387 N388 W389E387-S391 PolarHBondContact O-N 3.49Å; N388-S391 PolarHBondContact O-OG 2.95Å; N388-S391 VanDerWaalsContact O-OG 3.07Å; W389-S391 PolarHBondContact O-N 3.31Å
392K88.4Confident90Very high137 Ų137105.8 Ų105.860%0.59652%0.516SS*.SBendtrans-104.3143.2-178-61.1176.6-173.7175.20110.1W389 M390 S394W389-K392 WeakPolarHBondContact O-CB 3.3Å; W389-K392 PolarHBondContact O-N 2.94Å; M390-K392 PolarHBondContact O-N 3.41Å; K392-S394 PolarHBondContact O-N 3.3Å
393E85.9Confident90.1Very high180 Ų180108.9 Ų108.984%0.84154%0.535SS*.PPolyproline II helixtrans-71.8124.6178.4-173.1163.1-160.500111.3
394S82.2Confident90.2Very high68 Ų68107.3 Ų107.348%0.47653%0.53SS..PPolyproline II helixtrans-80.6141.2177.5-380000111.9K392 K399K392-S394 PolarHBondContact O-N 3.3Å; S394-K399 WeakPolarHBondContact O-CE 3.22Å
395E87.7Confident90.4Very high132 Ų132104.7 Ų104.762%0.61752%0.519SS*.PPolyproline II helixtrans-60.5145.8176.5-64-176.6-175.200112.6R397 L398 K399E395-R397 PolarHBondContact O-N 3.09Å; E395-L398 HydrophobicContact CB-CG 4.47Å; E395-L398 PolarHBondContact O-N 3.42Å; E395-K399 PolarHBondContact O-N 3.43Å; E395-K399 VanDerWaalsContact O-N 3.12Å
396S88Confident90.6Very high104 Ų104105 Ų10573%0.72752%0.524SS*.Hα-helixtrans-56.6-34.7178.456.90000113.3K399 R400S396-K399 PolarHBondContact O-N 3.32Å; S396-R400 PolarHBondContact O-N 2.73Å; S396-R400 VanDerWaalsContact O-N 3.16Å
397R92.1Very high90.7Very high169 Ų169109 Ų10964%0.63854%0.544SS*.Hα-helixtrans-60-44.5175178.9-176.6170-170.8-3.1112.1E395 R400 I401E395-R397 PolarHBondContact O-N 3.09Å; R397-R400 PolarHBondContact O-N 2.96Å; R397-I401 PolarHBondContact O-N 2.97Å
398L90.6Very high90.9Very high96 Ų96110.1 Ų110.150%0.50355%0.549SS..Hα-helixtrans-71.9-37.7-179-63.9179.3000111.1E395 R400 I401 S402E395-L398 HydrophobicContact CB-CG 4.47Å; E395-L398 PolarHBondContact O-N 3.42Å; L398-R400 VanDerWaalsContact C-N 3.28Å; L398-R400 PolarHBondContact O-N 3.08Å; L398-I401 PolarHBondContact O-N 3.3Å; L398-S402 PolarHBondContact O-N 3.37Å; L398-S402 PolarHBondContact O-OG 3.08Å
399K90.2Very high91Very high98 Ų98112.6 Ų112.643%0.42655%0.553SS.*Hα-helixtrans-57.6-40173.8-70.5-178.6179.8172.90112.4S394 E395 S396 S402 T403S394-K399 WeakPolarHBondContact O-CE 3.22Å; E395-K399 PolarHBondContact O-N 3.43Å; E395-K399 VanDerWaalsContact O-N 3.12Å; S396-K399 PolarHBondContact O-N 3.32Å; K399-S402 VanDerWaalsContact CA-OG 3.3Å; K399-S402 WeakPolarHBondContact CA-OG 3.39Å; K399-S402 PolarHBondContact O-OG 3.38Å; K399-T403 PolarHBondContact O-N 2.99Å; K399-T403 PolarHBondContact O-OG1 3.17Å
400R93Very high91.2Very high160 Ų160110.6 Ų110.660%0.60455%0.552SS**Hα-helixtrans-61.3-50.4176.3-171-175.770.6-1751.1111.5S396 R397 L398 S402 T403 E404S396-R400 PolarHBondContact O-N 2.73Å; S396-R400 VanDerWaalsContact O-N 3.16Å; R397-R400 PolarHBondContact O-N 2.96Å; L398-R400 VanDerWaalsContact C-N 3.28Å; L398-R400 PolarHBondContact O-N 3.08Å; R400-S402 PolarHBondContact O-N 3.03Å; R400-T403 PolarHBondContact O-N 3.47Å; R400-E404 IonicContact NE-OE1 3.77Å; R400-E404 WeakPolarHBondContact O-CG 3.48Å; R400-E404 PolarHBondContact O-N 3.27Å
401I93.6Very high91.4Very high65 Ų65107.7 Ų107.733%0.33354%0.539SS..Hα-helixtrans-64.5-41-179.4-62.5170.4000110.7R397 L398 T403 E404 L405R397-I401 PolarHBondContact O-N 2.97Å; L398-I401 PolarHBondContact O-N 3.3Å; I401-T403 VanDerWaalsContact C-N 3.32Å; I401-T403 PolarHBondContact O-N 3.35Å; I401-E404 PolarHBondContact O-N 2.71Å; I401-L405 HydrophobicContact CG2-CD1 4.03Å; I401-L405 HydrophobicContact CG2-CG 4.49Å; I401-L405 WeakPolarHBondContact O-CG 3.33Å; I401-L405 PolarHBondContact O-N 3.26Å
402S91.8Very high91.7Very high50 Ų50107.6 Ų107.635%0.3554%0.535SS..Hα-helixtrans-63.3-38.2177.160.10000112.2L398 K399 R400 L405 L406L398-S402 PolarHBondContact O-N 3.37Å; L398-S402 PolarHBondContact O-OG 3.08Å; K399-S402 VanDerWaalsContact CA-OG 3.3Å; K399-S402 WeakPolarHBondContact CA-OG 3.39Å; K399-S402 PolarHBondContact O-OG 3.38Å; R400-S402 PolarHBondContact O-N 3.03Å; S402-L405 PolarHBondContact O-N 3.43Å; S402-L406 WeakPolarHBondContact O-CB 3.25Å; S402-L406 VanDerWaalsContact O-CG 3.3Å; S402-L406 WeakPolarHBondContact O-CG 3.25Å; S402-L406 PolarHBondContact O-N 3.3Å
403T93.1Very high92Very high78 Ų78106.4 Ų106.448%0.47953%0.534SS..Hα-helixtrans-67.3-40.1175.7-58.30000111.8K399 R400 I401 L405 L406 N407K399-T403 PolarHBondContact O-N 2.99Å; K399-T403 PolarHBondContact O-OG1 3.17Å; R400-T403 PolarHBondContact O-N 3.47Å; I401-T403 VanDerWaalsContact C-N 3.32Å; I401-T403 PolarHBondContact O-N 3.35Å; T403-L405 VanDerWaalsContact C-N 3.34Å; T403-L406 PolarHBondContact O-N 2.83Å; T403-N407 VanDerWaalsContact O-CG 3.23Å; T403-N407 PolarHBondContact O-N 2.82Å; T403-N407 VanDerWaalsContact O-N 3.15Å; T403-N407 PolarHBondContact O-ND2 2.84Å
404E94Very high92.5Very high98 Ų9899.1 Ų99.146%0.45850%0.501SS..Hα-helixtrans-58.6-46.8173.7-71.7166.1-167.900110.7R400 I401 N407 E408R400-E404 IonicContact NE-OE1 3.77Å; R400-E404 WeakPolarHBondContact O-CG 3.48Å; R400-E404 PolarHBondContact O-N 3.27Å; I401-E404 PolarHBondContact O-N 2.71Å; E404-N407 PolarHBondContact O-N 3.45Å; E404-E408 PolarHBondContact O-N 3.44Å
405L95.8Very high93Very high59 Ų5999.6 Ų99.631%0.30950%0.501SS..Hα-helixtrans-65.5-41.5178.5-69.5168.6000113.3I401 S402 T403 N407 E408 Y409 L414I401-L405 HydrophobicContact CG2-CD1 4.03Å; I401-L405 HydrophobicContact CG2-CG 4.49Å; I401-L405 WeakPolarHBondContact O-CG 3.33Å; I401-L405 PolarHBondContact O-N 3.26Å; S402-L405 PolarHBondContact O-N 3.43Å; T403-L405 VanDerWaalsContact C-N 3.34Å; L405-N407 PolarHBondContact O-N 3.34Å; L405-E408 PolarHBondContact O-N 3.12Å; L405-E408 VanDerWaalsContact O-N 3.15Å; L405-Y409 HydrophobicContact CD2-CD2 4.34Å; L405-Y409 HydrophobicContact CD2-CE2 4.32Å; L405-Y409 PolarHBondContact O-N 3.36Å; L405-L414 HydrophobicContact CB-CD1 4.06Å; L405-L414 HydrophobicContact CB-CD2 3.76Å; L405-L414 HydrophobicContact CD1-CD1 4.22Å; L405-L414 HydrophobicContact CD2-CD1 4.47Å; L405-L414 HydrophobicContact CG-CD1 4.49Å
406L95Very high93.3Very high90 Ų9095.6 Ų95.647%0.47149%0.491SS..Hα-helixtrans-69-19.4178.3-74.9168.7000113.5S402 T403 D411 L414S402-L406 WeakPolarHBondContact O-CB 3.25Å; S402-L406 VanDerWaalsContact O-CG 3.3Å; S402-L406 WeakPolarHBondContact O-CG 3.25Å; S402-L406 PolarHBondContact O-N 3.3Å; T403-L406 PolarHBondContact O-N 2.83Å; L406-D411 HydrophobicContact CD2-CB 3.94Å; L406-L414 HydrophobicContact CD2-CD2 3.94Å; L406-L414 HydrophobicContact CG-CD2 4.11Å
407N94.5Very high93.6Very high134 Ų13493.5 Ų93.572%0.71748%0.479SS*.Hα-helixtrans-79.3-27.1172.2-70.8-29000112.2T403 E404 L405T403-N407 VanDerWaalsContact O-CG 3.23Å; T403-N407 PolarHBondContact O-N 2.82Å; T403-N407 VanDerWaalsContact O-N 3.15Å; T403-N407 PolarHBondContact O-ND2 2.84Å; E404-N407 PolarHBondContact O-N 3.45Å; L405-N407 PolarHBondContact O-N 3.34Å
408E94.1Very high93.6Very high140 Ų14090.3 Ų90.365%0.65448%0.475SS*.Hα-helixtrans-94.7-33.6-177.4-69.1-172.8179.400113.2E404 L405E404-E408 PolarHBondContact O-N 3.44Å; L405-E408 PolarHBondContact O-N 3.12Å; L405-E408 VanDerWaalsContact O-N 3.15Å
409Y95.2Very high93.6Very high133 Ų13388.7 Ų88.752%0.52247%0.466SS..SBendtrans-126.5152.7-173-56.6-81.1000111.8L405L405-Y409 HydrophobicContact CD2-CD2 4.34Å; L405-Y409 HydrophobicContact CD2-CE2 4.32Å; L405-Y409 PolarHBondContact O-N 3.36Å
410N93.7Very high93.7Very high81 Ų8189.1 Ų89.143%0.43347%0.47SS..  trans-64145.2171.2173.8-97.4000110.6V412 D413 L414N410-V412 PolarHBondContact O-N 3.36Å; N410-V412 WeakPolarHBondContact OD1-CA 3.44Å; N410-V412 VanDerWaalsContact OD1-CB 3.25Å; N410-V412 WeakPolarHBondContact OD1-CB 3.26Å; N410-V412 PolarHBondContact OD1-N 3.29Å; N410-D413 HydrophobicContact CB-CB 4.45Å; N410-D413 PolarHBondContact O-N 3.43Å; N410-D413 PolarHBondContact OD1-N 2.84Å; N410-L414 VanDerWaalsContact O-CB 3.31Å; N410-L414 WeakPolarHBondContact O-CB 3.26Å; N410-L414 PolarHBondContact O-N 3.43Å
411D93.2Very high93.5Very high92 Ų9287.4 Ų87.449%0.49247%0.468SS..Hα-helixtrans-58.6-42.5-17955.8-15.4000113.1L406 V415L406-D411 HydrophobicContact CD2-CB 3.94Å; D411-V415 WeakPolarHBondContact O-CB 3.37Å; D411-V415 VanDerWaalsContact O-CG2 3.26Å; D411-V415 WeakPolarHBondContact O-CG2 3.3Å; D411-V415 PolarHBondContact O-N 3.03Å
412V94.4Very high93.2Very high96 Ų9688.1 Ų88.158%0.58247%0.473SS*.Hα-helixtrans-66.2-48.5178.2-1780000111.1N410 L414 V415 A416N410-V412 PolarHBondContact O-N 3.36Å; N410-V412 WeakPolarHBondContact OD1-CA 3.44Å; N410-V412 VanDerWaalsContact OD1-CB 3.25Å; N410-V412 WeakPolarHBondContact OD1-CB 3.26Å; N410-V412 PolarHBondContact OD1-N 3.29Å; V412-L414 VanDerWaalsContact C-N 3.33Å; V412-L414 PolarHBondContact O-N 3.46Å; V412-V415 PolarHBondContact O-N 2.9Å; V412-A416 VanDerWaalsContact O-CB 3.25Å; V412-A416 WeakPolarHBondContact O-CB 3.41Å; V412-A416 PolarHBondContact O-N 3.4Å
413D94.6Very high92.9Very high111 Ų11186.7 Ų86.759%0.59446%0.462SS*.Hα-helixtrans-63.6-40-179.3-69-29.4000111.7N410 A416 A417N410-D413 HydrophobicContact CB-CB 4.45Å; N410-D413 PolarHBondContact O-N 3.43Å; N410-D413 PolarHBondContact OD1-N 2.84Å; D413-A416 PolarHBondContact O-N 2.94Å; D413-A417 WeakPolarHBondContact O-CB 3.47Å; D413-A417 PolarHBondContact O-N 3.5Å
414L95Very high92.4Very high27 Ų2787 Ų8714%0.14146%0.457CS..Hα-helixtrans-63.4-48.4176.8-179.865.1000111.4L405 L406 N410 V412 A417 L418L405-L414 HydrophobicContact CB-CD1 4.06Å; L405-L414 HydrophobicContact CB-CD2 3.76Å; L405-L414 HydrophobicContact CD1-CD1 4.22Å; L405-L414 HydrophobicContact CD2-CD1 4.47Å; L405-L414 HydrophobicContact CG-CD1 4.49Å; L406-L414 HydrophobicContact CD2-CD2 3.94Å; L406-L414 HydrophobicContact CG-CD2 4.11Å; N410-L414 VanDerWaalsContact O-CB 3.31Å; N410-L414 WeakPolarHBondContact O-CB 3.26Å; N410-L414 PolarHBondContact O-N 3.43Å; V412-L414 VanDerWaalsContact C-N 3.33Å; V412-L414 PolarHBondContact O-N 3.46Å; L414-A417 PolarHBondContact O-N 3.23Å; L414-L418 HydrophobicContact CG-CD1 4.49Å; L414-L418 WeakPolarHBondContact O-CG 3.3Å; L414-L418 PolarHBondContact O-N 3.35Å; L414-L418 VanDerWaalsContact O-N 3.14Å
415V93.7Very high91.5Very high78 Ų7884.3 Ų84.347%0.47345%0.452SS..Hα-helixtrans-64.8-41.8178171.50000110.5D411 V412 A417 L418 L419D411-V415 WeakPolarHBondContact O-CB 3.37Å; D411-V415 VanDerWaalsContact O-CG2 3.26Å; D411-V415 WeakPolarHBondContact O-CG2 3.3Å; D411-V415 PolarHBondContact O-N 3.03Å; V412-V415 PolarHBondContact O-N 2.9Å; V415-A417 PolarHBondContact O-N 2.85Å; V415-L418 PolarHBondContact O-N 3.22Å; V415-L419 HydrophobicContact CG1-CD1 3.7Å; V415-L419 HydrophobicContact CG1-CG 4.05Å; V415-L419 WeakPolarHBondContact O-CB 3.45Å; V415-L419 VanDerWaalsContact O-CG 3.26Å; V415-L419 WeakPolarHBondContact O-CG 3.49Å; V415-L419 PolarHBondContact O-N 2.95Å
416A93.8Very high90.4Very high49 Ų4984 Ų8441%0.40545%0.451SS..Hα-helixtrans-60.7-43.6177.400000112V412 D413 L418 L419 Q420V412-A416 VanDerWaalsContact O-CB 3.25Å; V412-A416 WeakPolarHBondContact O-CB 3.41Å; V412-A416 PolarHBondContact O-N 3.4Å; D413-A416 PolarHBondContact O-N 2.94Å; A416-L418 PolarHBondContact O-N 2.87Å; A416-L419 PolarHBondContact O-N 3.15Å; A416-Q420 VanDerWaalsContact O-CB 3.32Å; A416-Q420 WeakPolarHBondContact O-CB 3.28Å; A416-Q420 PolarHBondContact O-N 3.27Å
417A93.6Very high89.3Confident59 Ų5983 Ų8349%0.48845%0.446SS..Hα-helixtrans-62.5-42176.700000112.3D413 L414 V415 Q420 E421D413-A417 WeakPolarHBondContact O-CB 3.47Å; D413-A417 PolarHBondContact O-N 3.5Å; L414-A417 PolarHBondContact O-N 3.23Å; V415-A417 PolarHBondContact O-N 2.85Å; A417-Q420 PolarHBondContact O-N 3.43Å; A417-E421 PolarHBondContact O-N 3.04Å
418L92.5Very high88.2Confident102 Ų10284 Ų8453%0.53445%0.447SS..Hα-helixtrans-67.7-41.4176.3-67.8172.9000112.1L414 V415 A416 Q420 E421 L422L414-L418 HydrophobicContact CG-CD1 4.49Å; L414-L418 WeakPolarHBondContact O-CG 3.3Å; L414-L418 PolarHBondContact O-N 3.35Å; L414-L418 VanDerWaalsContact O-N 3.14Å; V415-L418 PolarHBondContact O-N 3.22Å; A416-L418 PolarHBondContact O-N 2.87Å; L418-Q420 VanDerWaalsContact C-N 3.34Å; L418-E421 PolarHBondContact O-N 3.46Å; L418-L422 WeakPolarHBondContact O-CG 3.36Å; L418-L422 PolarHBondContact O-N 2.95Å; L418-L422 VanDerWaalsContact O-N 3.12Å
419L91.9Very high87.4Confident62 Ų6280 Ų8033%0.32543%0.431SS..Hα-helixtrans-66.1-38.4176.3-71.6176.6000111.4I382 V386 V415 A416 L422 V423I382-L419 HydrophobicContact CG2-CD2 3.55Å; V386-L419 HydrophobicContact CG2-CD2 4.24Å; V415-L419 HydrophobicContact CG1-CD1 3.7Å; V415-L419 HydrophobicContact CG1-CG 4.05Å; V415-L419 WeakPolarHBondContact O-CB 3.45Å; V415-L419 VanDerWaalsContact O-CG 3.26Å; V415-L419 WeakPolarHBondContact O-CG 3.49Å; V415-L419 PolarHBondContact O-N 2.95Å; A416-L419 PolarHBondContact O-N 3.15Å; L419-L422 PolarHBondContact O-N 3.17Å; L419-L422 VanDerWaalsContact O-N 3.17Å; L419-V423 WeakPolarHBondContact O-CB 3.04Å; L419-V423 WeakPolarHBondContact O-CG2 3.19Å; L419-V423 PolarHBondContact O-N 3.04Å
420Q90.4Very high86.7Confident108 Ų10882.4 Ų82.451%0.50545%0.448SS..Hα-helixtrans-59.2-48.3175.8-176.5177.6-1800110.9A416 A417 L418 L422 V423 E424A416-Q420 VanDerWaalsContact O-CB 3.32Å; A416-Q420 WeakPolarHBondContact O-CB 3.28Å; A416-Q420 PolarHBondContact O-N 3.27Å; A417-Q420 PolarHBondContact O-N 3.43Å; L418-Q420 VanDerWaalsContact C-N 3.34Å; Q420-L422 VanDerWaalsContact C-N 3.28Å; Q420-L422 PolarHBondContact O-N 2.75Å; Q420-V423 PolarHBondContact O-N 2.78Å; Q420-E424 HydrophobicContact CG-CG 4.22Å; Q420-E424 WeakPolarHBondContact CG-OE2 3.4Å; Q420-E424 PolarHBondContact NE2-OE2 3.33Å; Q420-E424 WeakPolarHBondContact O-CB 3.4Å; Q420-E424 WeakPolarHBondContact O-CG 3.33Å; Q420-E424 PolarHBondContact O-N 3.35Å
421E89.8Confident86.3Confident123 Ų12379.9 Ų79.958%0.57544%0.435SS*.Hα-helixtrans-56.3-43.7174.5-177.365.6-16000111.4A417 L418 A425A417-E421 PolarHBondContact O-N 3.04Å; L418-E421 PolarHBondContact O-N 3.46Å; E421-A425 VanDerWaalsContact O-CB 3.24Å; E421-A425 WeakPolarHBondContact O-CB 3.16Å; E421-A425 PolarHBondContact O-N 3Å
422L86.7Confident86.1Confident81 Ų8181 Ų8142%0.42444%0.437SS..Hα-helixtrans-68.6-37.4179.8-69.1172.7000113.6I382 W389 L418 L419 Q420I382-L422 HydrophobicContact CD1-CB 4.02Å; I382-L422 HydrophobicContact CG2-CD1 4.5Å; W389-L422 HydrophobicContact CH2-CD1 4.38Å; W389-L422 HydrophobicContact CZ3-CD1 4.06Å; L418-L422 WeakPolarHBondContact O-CG 3.36Å; L418-L422 PolarHBondContact O-N 2.95Å; L418-L422 VanDerWaalsContact O-N 3.12Å; L419-L422 PolarHBondContact O-N 3.17Å; L419-L422 VanDerWaalsContact O-N 3.17Å; Q420-L422 VanDerWaalsContact C-N 3.28Å; Q420-L422 PolarHBondContact O-N 2.75Å
423V85.6Confident85.9Confident19 Ų1977.4 Ų77.412%0.11541%0.414CS..Hα-helixtrans-73.4-39.1179.2173.90000111L375 E379 I382 L419 Q420L375-V423 HydrophobicContact CD2-CG1 4.17Å; E379-V423 HydrophobicContact CG-CG2 4.44Å; I382-V423 HydrophobicContact CD1-CB 4.03Å; I382-V423 HydrophobicContact CD1-CG2 3.36Å; L419-V423 WeakPolarHBondContact O-CB 3.04Å; L419-V423 WeakPolarHBondContact O-CG2 3.19Å; L419-V423 PolarHBondContact O-N 3.04Å; Q420-V423 PolarHBondContact O-N 2.78Å
424E82.6Confident85.8Confident84 Ų8475.5 Ų75.539%0.39341%0.407SS..Hα-helixtrans-93-16.4-171-62.9-173.5155.800113.8Q420 N426 D427Q420-E424 HydrophobicContact CG-CG 4.22Å; Q420-E424 WeakPolarHBondContact CG-OE2 3.4Å; Q420-E424 PolarHBondContact NE2-OE2 3.33Å; Q420-E424 WeakPolarHBondContact O-CB 3.4Å; Q420-E424 WeakPolarHBondContact O-CG 3.33Å; Q420-E424 PolarHBondContact O-N 3.35Å; E424-N426 PolarHBondContact O-N 3.46Å; E424-D427 PolarHBondContact O-N 3.33Å
425A75.6Confident85.6Confident42 Ų4279.5 Ų79.535%0.34742%0.423SS..THydrogen-bonded Turntrans-49.8-33.5-177.700000114.7E421E421-A425 VanDerWaalsContact O-CB 3.24Å; E421-A425 WeakPolarHBondContact O-CB 3.16Å; E421-A425 PolarHBondContact O-N 3Å
426N72.3Confident85.3Confident52 Ų5277.7 Ų77.728%0.27841%0.41SS..THydrogen-bonded Turntrans-81.1-19.1-179.5-70.9-12.9000113.8K263 E424K263-N426 WeakPolarHBondContact CD-O 3.32Å; K263-N426 PolarHBondContact NZ-O 2.88Å; K263-N426 VanDerWaalsContact O-CG 3.23Å; K263-N426 PolarHBondContact O-ND2 2.76Å; K263-N426 PolarHBondContact O-OD1 3Å; K263-N426 VanDerWaalsContact O-OD1 3.08Å; E424-N426 PolarHBondContact O-N 3.46Å
427D73.3Confident85.1Confident71 Ų7183 Ų8338%0.3842%0.424SS..THydrogen-bonded Turntrans-80.2-25.1-177.5-78.3-5.4000112.3R378 E424 V429R378-D427 IonicContact CZ-OD1 3.66Å; R378-D427 VanDerWaalsContact NH1-CG 3.28Å; R378-D427 IonicContact NH1-OD1 2.7Å; R378-D427 PolarHBondContact NH1-OD1 2.74Å; R378-D427 IonicContact NH1-OD2 3.64Å; R378-D427 PolarHBondContact NH1-OD2 2.7Å; R378-D427 IonicContact NH2-OD1 2.72Å; R378-D427 PolarHBondContact NH2-OD1 2.67Å; E424-D427 PolarHBondContact O-N 3.33Å; D427-V429 VanDerWaalsContact C-N 3.28Å; D427-V429 PolarHBondContact O-N 3.22Å
428E69.8Low84.8Confident154 Ų15481.6 Ų81.672%0.7241%0.41SS*.SBendtrans-69.3-23.4-176.6-58.9-163.6152.200114.1E430E428-E430 PolarHBondContact O-N 3.38Å
429V77.8Confident84.6Confident55 Ų5577.5 Ų77.533%0.33339%0.388SS..  trans-86.799-177.6-170.20000109.8K263 D427 V431K263-V429 HydrophobicContact CD-CB 4.44Å; K263-V429 WeakPolarHBondContact CE-O 3.32Å; K263-V429 PolarHBondContact NZ-O 3.23Å; D427-V429 VanDerWaalsContact C-N 3.28Å; D427-V429 PolarHBondContact O-N 3.22Å; V429-V431 HydrophobicContact CG1-CG2 3.69Å; V429-V431 PolarHBondContact O-N 2.74Å
430E79.7Confident84.3Confident185 Ų18579 Ų7986%0.86440%0.404SS*.  trans-74.1117172.2-167.2176.3-175.500110E428E428-E430 PolarHBondContact O-N 3.38Å
431V86.4Confident83.5Confident28 Ų2880.7 Ų80.717%0.1741%0.406CS..  trans-124.5114.7179.6-172.20000110.2F228 A259 S262 V429F228-V431 HydrophobicContact CD1-CB 4.34Å; F228-V431 HydrophobicContact CE1-CB 3.91Å; F228-V431 HydrophobicContact CE1-CG1 4.27Å; A259-V431 HydrophobicContact CB-CB 4.46Å; A259-V431 HydrophobicContact CB-CG1 3.47Å; A259-V431 VanDerWaalsContact CB-CG1 3.47Å; S262-V431 WeakPolarHBondContact OG-CG2 3.24Å; V429-V431 HydrophobicContact CG1-CG2 3.69Å; V429-V431 PolarHBondContact O-N 2.74Å
432Q88.2Confident82.2Confident116 Ų11679.5 Ų79.554%0.54240%0.399SS..  trans-107.1115.5173.2-170.666.368.800109.9L225L225-Q432 PolarHBondContact O-NE2 2.98Å
433L90.5Very high80.6Confident19 Ų1978.2 Ų78.210%0.09941%0.405CS..PPolyproline II helixtrans-67.1150.4169.4-58.4-176000110.3F228 E255 L256 A259 F315 F435F228-L433 HydrophobicContact CB-CD1 3.85Å; F228-L433 HydrophobicContact CB-CG 4.03Å; F228-L433 HydrophobicContact CD2-CD1 4.06Å; F228-L433 HydrophobicContact CD2-CG 4.38Å; F228-L433 HydrophobicContact CG-CD1 4.17Å; F228-L433 HydrophobicContact CG-CG 4.19Å; E255-L433 HydrophobicContact CB-CD2 4.08Å; L256-L433 HydrophobicContact CD1-CD1 4.25Å; A259-L433 HydrophobicContact CB-CD2 3.7Å; F315-L433 HydrophobicContact CE1-CD1 3.99Å; F315-L433 HydrophobicContact CZ-CD1 3.72Å; L433-F435 PolarHBondContact O-N 2.95Å
434T91.9Very high78.6Confident71 Ų7188 Ų8844%0.43644%0.44SS..PPolyproline II helixtrans-64.8134.7174.3-52.80000109.9R251 E255 E436R251-T434 PolarHBondContact NH1-OG1 2.98Å; E255-T434 VanDerWaalsContact CD-OG1 3.27Å; E255-T434 PolarHBondContact OE1-OG1 2.97Å; E255-T434 WeakPolarHBondContact OE2-CB 3.41Å; E255-T434 PolarHBondContact OE2-N 3.34Å; E255-T434 PolarHBondContact OE2-OG1 3.27Å; T434-E436 PolarHBondContact O-N 2.74Å
435F91.1Very high76.7Confident111 Ų11191.4 Ų91.449%0.48746%0.461SS..PPolyproline II helixtrans-57.1125.5178.3-174-94.1000112.2E224 L225 L433 K437E224-F435 HydrophobicContact CB-CD2 4.12Å; E224-F435 HydrophobicContact CB-CE2 3.74Å; E224-F435 HydrophobicContact CG-CD2 3.86Å; E224-F435 HydrophobicContact CG-CE2 3.9Å; L225-F435 HydrophobicContact CD2-CB 4.45Å; L225-F435 HydrophobicContact CD2-CD2 3.79Å; L225-F435 HydrophobicContact CG-CD2 4.1Å; L433-F435 PolarHBondContact O-N 2.95Å; F435-K437 HydrophobicContact CE1-CG 3.96Å
436E88.5Confident75Confident41 Ų4192.3 Ų92.319%0.19248%0.475CS..  trans-111133.5169.5-170.779.9-156.900109E224 R251 T434 P438E224-E436 VanDerWaalsContact CG-O 3.28Å; E224-E436 WeakPolarHBondContact CG-O 3.31Å; R251-E436 IonicContact CZ-OE2 2.74Å; R251-E436 IonicContact NH2-OE2 3.66Å; R251-E436 PolarHBondContact NH2-OE2 3.35Å; T434-E436 PolarHBondContact O-N 2.74Å; E436-P438 WeakPolarHBondContact O-CD 3.39Å
437K88.5Confident73.3Confident160 Ų16099.1 Ų99.170%0.69650%0.502SS*.PPolyproline II helixtrans-64.4132.2178-71.1178-178.3176.50109.7R248 F435R248-K437 PolarHBondContact NH1-O 2.86Å; F435-K437 HydrophobicContact CE1-CG 3.96Å
438P89Confident71.9Confident29 Ų29101.4 Ų101.419%0.18852%0.521CS..PPolyproline II helixtrans-55151.8167.6-23.933.7000110.4N345 E348 E436 S440N345-P438 HydrophobicContact CB-CB 3.93Å; N345-P438 HydrophobicContact CB-CG 4.03Å; E348-P438 HydrophobicContact CG-CB 3.94Å; E348-P438 WeakPolarHBondContact OE1-CA 3.46Å; E436-P438 WeakPolarHBondContact O-CD 3.39Å; P438-S440 PolarHBondContact O-N 3.32Å
439L87.8Confident70.7Confident16 Ų1699.6 Ų99.68%0.08453%0.525CS..PPolyproline II helixtrans-55.1132.6174.4-62.3171.5000109.3R248 I317 Q319 E348 Y351 R441R248-L439 VanDerWaalsContact CZ-CD2 3.48Å; I317-L439 HydrophobicContact CG2-CD1 3.94Å; Q319-L439 HydrophobicContact CG-CD1 3.74Å; Q319-L439 HydrophobicContact CG-CD2 3.97Å; Q319-L439 VanDerWaalsContact NE2-CD2 3.29Å; E348-L439 HydrophobicContact CG-CB 4.16Å; E348-L439 PolarHBondContact OE1-N 2.71Å; Y351-L439 HydrophobicContact CD1-CD1 4.37Å; Y351-L439 HydrophobicContact CD2-CB 4.49Å; Y351-L439 HydrophobicContact CD2-CD1 4.38Å; Y351-L439 HydrophobicContact CE1-CD1 4.01Å; Y351-L439 HydrophobicContact CE2-CB 3.63Å; Y351-L439 HydrophobicContact CE2-CD1 4.02Å; Y351-L439 HydrophobicContact CE2-CG 4.49Å; L439-R441 PolarHBondContact O-N 2.79Å
440S84.7Confident68.9Low95 Ų95100.1 Ų100.166%0.66454%0.541SS*.PPolyproline II helixtrans-56.3139.417056.10000108.6Y351 P438 K442Y351-S440 PolarHBondContact OH-O 3.37Å; P438-S440 PolarHBondContact O-N 3.32Å; S440-K442 PolarHBondContact O-N 2.97Å
441R73.2Confident67.1Low142 Ų14296.5 Ų96.554%0.53654%0.537SS..PPolyproline II helixtrans-46.1117.1171-171.1179.5-176.1156.412.2109.5D350 L439 G443D350-R441 IonicContact OD1-NH2 3.39Å; D350-R441 WeakPolarHBondContact OD2-CG 3.42Å; D350-R441 IonicContact OD2-CZ 2.87Å; D350-R441 IonicContact OD2-NE 3.26Å; D350-R441 PolarHBondContact OD2-NE 2.97Å; D350-R441 IonicContact OD2-NH2 3.63Å; D350-R441 PolarHBondContact OD2-NH2 3Å; L439-R441 PolarHBondContact O-N 2.79Å; R441-G443 PolarHBondContact O-N 3.18Å
442K62.5Low64.8Low98 Ų98106.2 Ų106.243%0.42657%0.57SS.*PPolyproline II helixtrans-54.9117.6178.4-156.2171.7-171.6169.60106.8Q319 Y351 S440 R444Q319-K442 PolarHBondContact O-NZ 2.91Å; Y351-K442 HydrophobicContact CE1-CB 4.32Å; Y351-K442 HydrophobicContact CE1-CD 4.17Å; S440-K442 PolarHBondContact O-N 2.97Å; K442-R444 PolarHBondContact O-N 3.46Å; K442-R444 VanDerWaalsContact O-N 3.09Å
443G52.9Low62.5Low54 Ų54107.2 Ų107.256%0.55758%0.579SS**PPolyproline II helixtrans-53123-166.600000110.2R441 N445R441-G443 PolarHBondContact O-N 3.18Å; G443-N445 PolarHBondContact O-N 2.94Å
444R43.5Very low60.1Low225 Ų225117 Ų11785%0.84962%0.615SS**  -5386.2129.8-85.1179.9168.5177.1-2.7104.4K442 G446K442-R444 PolarHBondContact O-N 3.46Å; K442-R444 VanDerWaalsContact O-N 3.09Å; R444-G446 VanDerWaalsContact C-N 3.27Å; R444-G446 PolarHBondContact O-N 3.42Å
445N43.2Very low57.6Low155 Ų155120.9 Ų120.983%0.82963%0.633SS**  trans-49.1109.5162.9-93.8-1.4000103.5G443 K447G443-N445 PolarHBondContact O-N 2.94Å; N445-K447 PolarHBondContact O-N 3.49Å
446G41.4Very low55.4Low62 Ų62119.8 Ų119.864%0.63964%0.639SS**  trans-51.5118.3-176.400000105.7R444R444-G446 VanDerWaalsContact C-N 3.27Å; R444-G446 PolarHBondContact O-N 3.42Å
447K36Very low53.2Low195 Ų195127.3 Ų127.385%0.84867%0.671SS**  trans-40.9120.7149.6-76.6-180172.5179.90104.3N445 S449N445-K447 PolarHBondContact O-N 3.49Å; K447-S449 PolarHBondContact O-N 3.14Å
448P44.2Very low50.7Low119 Ų119132 Ų13277%0.77368%0.684SS**  trans-46.6123.3-176.9-24.830.6000105.8G450P448-G450 VanDerWaalsContact C-N 3.33Å; P448-G450 PolarHBondContact O-N 3.38Å
449S43.6Very low48.4Very low116 Ų116134.3 Ų134.381%0.81171%0.713SS**  trans-45.2108.6-179.343.70000106K447 S451K447-S449 PolarHBondContact O-N 3.14Å; S449-S451 PolarHBondContact O-N 2.9Å
450G39.3Very low46.1Very low66 Ų66141.5 Ų141.568%0.6875%0.752SS**  trans-51.5112.4-174.600000105.1P448 R452P448-G450 VanDerWaalsContact C-N 3.33Å; P448-G450 PolarHBondContact O-N 3.38Å; G450-R452 PolarHBondContact O-N 2.96Å
451S42.3Very low44.3Very low109 Ų109141.6 Ų141.676%0.76275%0.75SS**  trans-41.6112.2172.4176.70000104.7S449 N453S449-S451 PolarHBondContact O-N 2.9Å; S451-N453 PolarHBondContact O-N 3.46Å
452R39.1Very low42.6Very low232 Ų232143.7 Ų143.788%0.87576%0.763SS**  trans-59.291.8178.6-87.5177.2172.7153.1-4104.6G450 R454G450-R452 PolarHBondContact O-N 2.96Å; R452-R454 PolarHBondContact O-N 3.15Å
453N39.4Very low41.4Very low136 Ų136147.9 Ų147.973%0.72778%0.782SS**  trans-68.790176-150.113000103.4S451 N455S451-N453 PolarHBondContact O-N 3.46Å; N453-N455 PolarHBondContact O-N 3.34Å
454R41Very low40.4Very low226 Ų226152.4 Ų152.485%0.85379%0.793SS**  trans-65.579.1170-82.7-178172.6165.9-2.5106.1R452 S456R452-R454 PolarHBondContact O-N 3.15Å; R454-S456 PolarHBondContact O-N 2.99Å
455N39.5Very low40Very low151 Ų151146 Ų14681%0.80778%0.782SS**  trans-6588156.3-97.8-3.2000106.6N453N453-N455 PolarHBondContact O-N 3.34Å
456S44.3Very low39.4Very low88 Ų88147.8 Ų147.862%0.61578%0.783SS**  trans-137.5101.116061.50000109.6R454R454-S456 PolarHBondContact O-N 2.99Å
457K40.9Very low39.1Very low199 Ų199150 Ų15087%0.86579%0.788SS**  trans73.5105.8149.1-63.6175.6176.2177.40115.8
458R37.6Very low38.9Very low260 Ų260149.1 Ų149.198%0.98178%0.784SS**  47.895.687.8-90.8-174.6170.5169.6-2.4111.5
459G39.8Very low38.2Very low77 Ų77153.8 Ų153.879%0.79479%0.787SS**  trans-158.3106.2165.500000108.1
460N40.2Very low37.6Very low167 Ų167153 Ų15389%0.89378%0.781SS**  trans-67.5169.5-171.3-13819.5000112.9
461P47.3Very low37Very low96 Ų96160 Ų16062%0.62379%0.793SS**  trans-98.6163.4-159.439.8-36.4000113.6
462K36Very low36.5Very low186 Ų186158.5 Ų158.581%0.80979%0.794SS**  trans159.7156.1132.6-91.1173.6179.7179.50111.3
463F37Very low35.9Very low187 Ų187158.7 Ų158.782%0.8280%0.796SS**  trans79.998.1175.3-75.8-88.5000114.4
464D33.5Very low35.5Very low148 Ų148156.9 Ų156.979%0.79180%0.795SS**  cis71.9132.348-146.35.8000114.6
465S33.6Very low34.8Very low90 Ų90150.4 Ų150.463%0.62978%0.784SS**  trans81.2114.3170.986.30000120.2
466K31.6Very low34.4Very low194 Ų194151.4 Ų151.484%0.84378%0.781SS**  53.5111.3123.5-69.2173.5176.5168.70117.2
467S34.3Very low33.7Very low107 Ų107154.7 Ų154.775%0.74878%0.784SS**  153139.189.761.20000113.1
468K32.5Very low33Very low177 Ų177154 Ų15477%0.7778%0.781SS**  trans51117.5136.3-72.1179.4177.9173.40120
469R29.4Very low32.8Very low218 Ų218146.4 Ų146.482%0.82377%0.768SS**  77.2125.4120.8-78.1-176.6169.4169.3-3.5119.1
470S30.8Very low32.2Very low99 Ų99149.2 Ų149.269%0.69277%0.77SS**  84.5118.9126.869.30000119.4
471K27.6Very low31.9Very low214 Ų214151 Ų15193%0.9377%0.77SS**  42.7121125.7-73.8179.1173.31730116.5
472G30.5Very low30.9Very low76 Ų76155.4 Ų155.478%0.78478%0.779SS**  trans176.498.8158.100000112.9
473Y27.2Very low30.8Very low236 Ų236156.2 Ų156.293%0.92578%0.783SS**  trans-33.1147.6155.5-91.6-113.3000113.8
474S29.9Very low30.4Very low99 Ų99153.5 Ų153.569%0.69278%0.777SS**  150.4126.4113.3-173.90000112.4
475S28.1Very low30.1Very low90 Ų90157.3 Ų157.363%0.62978%0.781SS**  trans17.5132.8142.974.30000119.7
476K30.3Very low29.9Very low172 Ų172162.1 Ų162.175%0.74879%0.79SS**  174.6143.1107.4-103.8172.2176.3159.10113.4
477K29.1Very low29.6Very low156 Ų156162.1 Ų162.168%0.67879%0.793SS**  trans74.5112.3136.6-80-179.7175.7-178.10117.1
478K27.2Very low29.5Very low184 Ų184165.3 Ų165.380%0.879%0.794SS**  88.5114.682.3-89.1-170.3176.7-170.60110.9
479S32.9Very low29.4Very low102 Ų102161.6 Ų161.671%0.71379%0.79SS**  164.9106.9110.365.40000107.9
480T27.8Very low29.5Very low135 Ų135157.5 Ų157.583%0.82879%0.794SS**  39.2100.997.455.90000114.7
481K33.3Very low29.4Very low205 Ų205156.2 Ų156.289%0.89180%0.797SS**  trans-139.6100.5143.2-103.4178.6-179.8175.30108.8
482K26.2Very low29.6Very low188 Ų188149.5 Ų149.582%0.81779%0.788SS**  trans-62.2138.1151.2-77.2179.4171.3-178.40107.5
483F32.9Very low29.8Very low203 Ų203151.7 Ų151.789%0.8979%0.792SS**  trans-150.9135.7138.1-107-75.2000109.8
484D30.4Very low30.3Very low130 Ų130151.5 Ų151.570%0.69579%0.789SS**  trans-69.2154.3-167.2-76.3-67.1000115.9
485R25.5Very low30.6Very low229 Ų229152.4 Ų152.486%0.86479%0.793SS**  trans18.5122.2139.4-71.5175.2166.6160.8-4.6117.5
486K29.8Very low31.2Very low190 Ų190157.1 Ų157.183%0.82681%0.807SS**  -152.6104.9126.4-110.7169.3-174.1174.80110.1K488K486-K488 PolarHBondContact O-N 3.27Å
487E26.3Very low31.5Very low194 Ų194158.6 Ų158.691%0.90781%0.814SS**  trans-56.1123.8153.1-72173.6153.100108.2
488K32.4Very low31.9Very low175 Ų175154 Ų15476%0.76181%0.811SS**  trans-137.9100158.9-87.9-166.4174.1-174.20108.5K486K486-K488 PolarHBondContact O-N 3.27Å
489S30.6Very low32.5Very low99 Ų99155.8 Ų155.869%0.69281%0.812SS**  trans34.2108.7136.160.90000117.2G491S489-G491 PolarHBondContact O-N 3.42Å; S489-G491 VanDerWaalsContact O-N 3.14Å
490S30.6Very low32.9Very low131 Ų131155.7 Ų155.792%0.91681%0.807SS**  trans-18.5105.3140.851.70000113.7
491G29.5Very low33.5Very low73 Ų73158.6 Ų158.675%0.75381%0.809SS**  trans-134.795.6175.100000110.1S489S489-G491 PolarHBondContact O-N 3.42Å; S489-G491 VanDerWaalsContact O-N 3.14Å
492G31.5Very low34.3Very low72 Ų72152.6 Ų152.674%0.74280%0.797SS**  trans47.496.5152.300000118R494G492-R494 PolarHBondContact O-N 3.44Å
493S35Very low35.6Very low123 Ų123148 Ų14886%0.8678%0.782SS**  trans-58.9102.5153.6-1730000108.2
494R37Very low36.4Very low231 Ų231146.1 Ų146.187%0.87278%0.776SS**  trans-65.5123167-83.1-178.3167.8175.7-3.5107.2G492 M496G492-R494 PolarHBondContact O-N 3.44Å; R494-M496 PolarHBondContact O-N 3.31Å
495P36.8Very low37.1Very low118 Ų118149 Ų14977%0.76679%0.785SS**  trans-65.4126.117826.1-30.3000108.4K497P495-K497 VanDerWaalsContact C-N 3.32Å; P495-K497 PolarHBondContact O-N 3.35Å
496M39.3Very low38.1Very low190 Ų190150.6 Ų150.694%0.93680%0.798SS**  trans-55.298.9165.9-85.8-86-12200107.4R494 G498R494-M496 PolarHBondContact O-N 3.31Å; M496-G498 PolarHBondContact O-N 3.4Å
497K36.8Very low38.5Very low203 Ų203148.7 Ų148.788%0.88380%0.797SS**  trans-64.1101.5173.4-155.6176.1-175.2-177.90106.4P495 R499P495-K497 VanDerWaalsContact C-N 3.32Å; P495-K497 PolarHBondContact O-N 3.35Å; K497-R499 PolarHBondContact O-N 3.28Å
498G37.7Very low39.2Very low59 Ų59146.3 Ų146.361%0.60879%0.791SS**PPolyproline II helixtrans-57.5129.8174.700000109.1M496 T500M496-G498 PolarHBondContact O-N 3.4Å; G498-T500 PolarHBondContact O-N 2.93Å
499R39.5Very low39.5Very low222 Ų222144.7 Ų144.784%0.83879%0.793SS**PPolyproline II helixtrans-60.5126.4173.1-67.5-178.9179.8174.5-3.4108.5K497 D503K497-R499 PolarHBondContact O-N 3.28Å; R499-D503 WeakPolarHBondContact CB-OD2 3.46Å
500T42.9Very low40.1Very low99 Ų99147.4 Ų147.461%0.60780%0.799SS**PPolyproline II helixtrans-87.9161.8176.651.40000109.8G498 A502 D503G498-T500 PolarHBondContact O-N 2.93Å; T500-A502 PolarHBondContact O-N 2.86Å; T500-D503 PolarHBondContact O-N 3.24Å
501F39.6Very low40.6Very low196 Ų196148.4 Ų148.486%0.8679%0.791SS**G310 helixtrans-51-17.3-179-112-93.5000115.1D503 H504F501-D503 PolarHBondContact O-N 2.98Å; F501-H504 PolarHBondContact O-N 3.14Å
502A50Low41.4Very low79 Ų79153.4 Ų153.465%0.65379%0.794SS**G310 helixtrans-65.4-20.7174.600000113.7T500 H504T500-A502 PolarHBondContact O-N 2.86Å; A502-H504 VanDerWaalsContact C-N 3.26Å; A502-H504 PolarHBondContact O-N 3.42Å
503D53.2Low42.1Very low91 Ų91159.2 Ų159.249%0.48780%0.797SS.*G310 helixtrans-82.74.3-178.9-70.3-21.8000113.9R499 T500 F501R499-D503 WeakPolarHBondContact CB-OD2 3.46Å; T500-D503 PolarHBondContact O-N 3.24Å; F501-D503 PolarHBondContact O-N 2.98Å
504H50.9Low42.6Very low165 Ų165162 Ų16276%0.76479%0.793SS**G310 helixtrans-108.88.8179.3-88.6-66.4000115.2F501 A502F501-H504 PolarHBondContact O-N 3.14Å; A502-H504 VanDerWaalsContact C-N 3.26Å; A502-H504 PolarHBondContact O-N 3.42Å
505Q43.3Very low43.1Very low190 Ų190156.3 Ų156.389%0.88879%0.786SS**  trans-115.225.1169.6-78.6-167.5-12.700114.2
506K47.4Very low43.7Very low263 Ų263159.7 Ų159.7100%1.14379%0.788SS**  trans-127.60158.7-72.7-174.8179.2-179.90108.6

Retrieved 506 of 506 residues in 1112.8 ms (Link to these results)

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