A0A096LYA7_POEFO Loading...

Ribosyldihydronicotinamide dehydrogenase [quinone]

The enzyme apparently serves as a quinone reductase in connection with conjugation reactions of hydroquinones involved in detoxification pathways as well as in biosynthetic processes such as the vitamin K-dependent gamma-carboxylation of glutamate residues in prothrombin synthesis.

AlphaFold DB , UniProt , Accession A0A096LYA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 260 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
1M64Low94Very high241 Ų24145.6 Ų45.6100%1.18723%0.233SC*.  0150.90-73.6-169.9-95.800107.8K3M1-K3 PolarHBondContact O-N 2.63Å
2A86.1Confident94.2Very high58 Ų5851 Ų5148%0.47926%0.256SS..PPolyproline II helixtrans-60.9134.1174.400000109.7G33A2-G33 WeakPolarHBondContact CB-O 3.4Å
3K95Very high94.3Very high96 Ų9650.2 Ų50.242%0.41726%0.258SS..PPolyproline II helixtrans-65.9139.4175.9-75.3-72.7-175.7176.20109.8M1 C34 T35 D95 L215M1-K3 PolarHBondContact O-N 2.63Å; K3-C34 CarbonylContact O-C 3.59Å; K3-C34 WeakPolarHBondContact O-CA 3.41Å; K3-C34 WeakPolarHBondContact O-CB 3.44Å; K3-T35 PolarHBondContact O-N 3.21Å; K3-D95 WeakPolarHBondContact CA-OD2 3.24Å; K3-D95 HydrophobicContact CD-CB 3.67Å; K3-D95 WeakPolarHBondContact CD-OD1 3.2Å; K3-D95 WeakPolarHBondContact CD-OD2 3.27Å; K3-D95 IonicContact NZ-OD1 3.03Å; K3-D95 PolarHBondContact NZ-OD1 3.4Å; K3-L215 HydrophobicContact CB-CD1 4.22Å; K3-L215 HydrophobicContact CG-CD1 4.16Å
4K97.8Very high94.3Very high74 Ų7454.5 Ų54.532%0.32230%0.295SS..EExtended strand (participates in β ladder)trans-100.6132.6176.9-71.6-173.1173.2-175.70110.2T35 E93 D95 L96K4-T35 CarbonylContact C-O 3.55Å; K4-T35 WeakPolarHBondContact CA-O 3.47Å; K4-E93 WeakPolarHBondContact CB-O 3.45Å; K4-E93 HydrophobicContact CD-CB 3.83Å; K4-E93 VanDerWaalsContact CD-O 3.3Å; K4-E93 WeakPolarHBondContact CD-O 3.3Å; K4-E93 IonicContact NZ-OE2 2.63Å; K4-E93 PolarHBondContact NZ-OE2 3.16Å; K4-D95 PolarHBondContact N-OD2 2.85Å; K4-D95 PolarHBondContact O-N 3.05Å; K4-L96 PolarHBondContact O-N 3.47Å
5V98.6Very high94.4Very high3 Ų358.1 Ų58.12%0.01833%0.326CS..EExtended strand (participates in β ladder)trans-121.6127.3178.1-1760000109.2I7 L29 C34 T35 V36 E37 L96 I98V5-I7 HydrophobicContact CG1-CG1 4.18Å; V5-L29 HydrophobicContact CB-CD1 4.48Å; V5-L29 HydrophobicContact CG1-CD1 3.91Å; V5-L29 HydrophobicContact CG2-CD1 4.24Å; V5-C34 HydrophobicContact CG2-CB 4Å; V5-T35 PolarHBondContact N-O 2.95Å; V5-V36 HydrophobicContact CB-CG1 4.45Å; V5-V36 HydrophobicContact CB-CG2 4.34Å; V5-V36 WeakPolarHBondContact O-CA 3.44Å; V5-E37 PolarHBondContact O-N 3.04Å; V5-L96 CarbonylContact C-O 3.57Å; V5-L96 WeakPolarHBondContact CA-O 3.38Å; V5-L96 HydrophobicContact CG1-CB 4.38Å; V5-L96 HydrophobicContact CG1-CD2 4.18Å; V5-L96 HydrophobicContact CG1-CG 4.22Å; V5-L96 HydrophobicContact CG2-CB 4.28Å; V5-L96 HydrophobicContact CG2-CD2 4.33Å; V5-I98 HydrophobicContact CG1-CD1 4.36Å
6L98.8Very high94.6Very high2 Ų255.5 Ų55.51%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-101.1127.3168.2175.460.9000109.5V8 K90 L91 A94 L96 V97 I98L6-V8 HydrophobicContact CD2-CG2 4.02Å; L6-V8 HydrophobicContact CG-CG2 4.01Å; L6-K90 HydrophobicContact CD1-CB 4.07Å; L6-K90 HydrophobicContact CD1-CD 4.02Å; L6-K90 HydrophobicContact CD2-CB 3.92Å; L6-L91 HydrophobicContact CD2-CD2 3.75Å; L6-L91 HydrophobicContact CD2-CG 4.04Å; L6-A94 HydrophobicContact CB-CB 3.81Å; L6-L96 PolarHBondContact N-O 3.26Å; L6-V97 HydrophobicContact CB-CG1 4.43Å; L6-V97 HydrophobicContact CB-CG2 4.45Å; L6-V97 HydrophobicContact CD2-CG1 4.31Å; L6-V97 HydrophobicContact CG-CG1 4.38Å; L6-V97 CarbonylContact O-C 3.56Å; L6-V97 VanDerWaalsContact O-CA 3.28Å; L6-V97 WeakPolarHBondContact O-CA 3.38Å; L6-I98 PolarHBondContact O-N 2.96Å
7I98.9Very high94.8Very high0 Ų054 Ų540%030%0.302CS..EExtended strand (participates in β ladder)trans-109.7110.9170.2-53177.8000108.7V5 K22 A25 V26 V36 E37 V38 S39 I98 Q100V5-I7 HydrophobicContact CG1-CG1 4.18Å; I7-K22 HydrophobicContact CG2-CG 3.85Å; I7-A25 HydrophobicContact CD1-CB 3.81Å; I7-V26 HydrophobicContact CD1-CG2 3.74Å; I7-V36 HydrophobicContact CD1-CG1 3.72Å; I7-V36 HydrophobicContact CG1-CG1 4.07Å; I7-E37 PolarHBondContact N-O 3.13Å; I7-V38 HydrophobicContact CB-CG2 4.36Å; I7-V38 CarbonylContact O-C 3.54Å; I7-V38 WeakPolarHBondContact O-CA 3.41Å; I7-S39 PolarHBondContact O-N 3.12Å; I7-I98 CarbonylContact C-O 3.56Å; I7-I98 WeakPolarHBondContact CA-O 3.36Å; I7-I98 HydrophobicContact CG1-CB 4.32Å; I7-I98 HydrophobicContact CG2-CB 4.46Å; I7-Q100 HydrophobicContact CG2-CB 4.5Å
8V98.9Very high95.1Very high0 Ų051.2 Ų51.20%029%0.287CS..EExtended strand (participates in β ladder)trans-90112172.5-173.40000107.8L6 L41 V97 I98 F99 Q100 L112 W115L6-V8 HydrophobicContact CD2-CG2 4.02Å; L6-V8 HydrophobicContact CG-CG2 4.01Å; V8-L41 HydrophobicContact CG1-CD1 3.99Å; V8-L41 HydrophobicContact CG1-CD2 4.04Å; V8-L41 HydrophobicContact CG1-CG 4.09Å; V8-V97 HydrophobicContact CG2-CG1 4.25Å; V8-I98 PolarHBondContact N-O 3.15Å; V8-F99 HydrophobicContact CB-CD1 3.72Å; V8-F99 HydrophobicContact CB-CE1 3.95Å; V8-F99 HydrophobicContact CG1-CD1 4.22Å; V8-F99 HydrophobicContact CG1-CE1 4.41Å; V8-F99 HydrophobicContact CG2-CD1 4.11Å; V8-F99 HydrophobicContact CG2-CE1 3.83Å; V8-F99 CarbonylContact O-C 3.58Å; V8-F99 WeakPolarHBondContact O-CA 3.39Å; V8-Q100 PolarHBondContact O-N 3.02Å; V8-L112 HydrophobicContact CG1-CD1 3.75Å; V8-W115 HydrophobicContact CG1-CD2 4.2Å; V8-W115 HydrophobicContact CG1-CG 4.46Å; V8-W115 HydrophobicContact CG2-CH2 4.08Å; V8-W115 HydrophobicContact CG2-CZ2 3.85Å
9Y98.9Very high95.2Very high3 Ų348.5 Ų48.51%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-114.4126.2-171.2169-100.2000111.4H11 S13 S16 N18 A19 K22 S39 D40 L41 Q100Y9-H11 HydrophobicContact CE1-CB 4.34Å; Y9-H11 WeakPolarHBondContact CE1-O 3.37Å; Y9-H11 HydrophobicContact CE2-CB 3.88Å; Y9-H11 VanDerWaalsContact CZ-O 3.3Å; Y9-H11 WeakPolarHBondContact OH-CB 3.18Å; Y9-H11 PolarHBondContact OH-O 3.3Å; Y9-S13 PolarHBondContact OH-O 2.8Å; Y9-S16 PolarHBondContact OH-OG 3.48Å; Y9-N18 HydrophobicContact CE2-CB 3.97Å; Y9-A19 HydrophobicContact CE2-CB 4.5Å; Y9-A19 WeakPolarHBondContact OH-CB 3.36Å; Y9-K22 HydrophobicContact CD1-CD 4.42Å; Y9-K22 HydrophobicContact CD2-CB 3.88Å; Y9-K22 HydrophobicContact CD2-CD 4.05Å; Y9-K22 HydrophobicContact CD2-CG 4.1Å; Y9-K22 HydrophobicContact CE2-CB 4.32Å; Y9-K22 HydrophobicContact CG-CD 3.96Å; Y9-K22 HydrophobicContact CG-CG 4.3Å; Y9-S39 PolarHBondContact N-O 2.95Å; Y9-D40 HydrophobicContact CD1-CB 4.08Å; Y9-D40 VanDerWaalsContact CD1-CG 3.45Å; Y9-D40 WeakPolarHBondContact CD1-OD2 3.44Å; Y9-D40 WeakPolarHBondContact CE1-OD2 3.09Å; Y9-L41 PolarHBondContact O-N 2.85Å; Y9-Q100 WeakPolarHBondContact CA-O 3.13Å; Y9-Q100 HydrophobicContact CD2-CB 4.04Å; Y9-Q100 HydrophobicContact CD2-CG 3.81Å; Y9-Q100 HydrophobicContact CE2-CG 4.29Å
10A98.8Very high95.4Very high0 Ų047.8 Ų47.80%027%0.272CS..  trans-126.269.3-173.600000112L41 Q100 F101 P102 P109 I111 L112A10-L41 HydrophobicContact CB-CD1 4.13Å; A10-Q100 PolarHBondContact N-O 2.86Å; A10-F101 HydrophobicContact CB-CB 4.11Å; A10-P102 WeakPolarHBondContact O-CD 3.33Å; A10-P109 HydrophobicContact CB-CB 4.46Å; A10-P109 HydrophobicContact CB-CG 4.17Å; A10-I111 HydrophobicContact CB-CG2 4.16Å; A10-L112 HydrophobicContact CB-CB 3.86Å; A10-L112 HydrophobicContact CB-CD2 4.28Å
11H98.6Very high95.6Very high25 Ų2545.5 Ų45.512%0.11626%0.259CS..  trans-152.1130.5170.8-172.1-66.9000112.8Y9 S13 S16 N18Y9-H11 HydrophobicContact CE1-CB 4.34Å; Y9-H11 WeakPolarHBondContact CE1-O 3.37Å; Y9-H11 HydrophobicContact CE2-CB 3.88Å; Y9-H11 VanDerWaalsContact CZ-O 3.3Å; Y9-H11 WeakPolarHBondContact OH-CB 3.18Å; Y9-H11 PolarHBondContact OH-O 3.3Å; H11-S13 PolarHBondContact ND1-N 2.76Å; H11-S13 VanDerWaalsContact ND1-N 3.13Å; H11-S13 PolarHBondContact ND1-O 2.56Å; H11-S13 PolarHBondContact O-N 3.46Å; H11-S16 WeakPolarHBondContact CE1-CB 3.28Å; H11-S16 WeakPolarHBondContact ND1-CB 3.48Å; H11-S16 PolarHBondContact ND1-OG 2.73Å; H11-N18 HydrophobicContact CB-CB 4.01Å
12Q95.9Very high97.2Very high110 Ų11035.3 Ų35.351%0.51421%0.208SC..SBendtrans-66.8-25.9-171.161.5-79.8-2.700116.1Y42Q12-Y42 HydrophobicContact CB-CD1 3.82Å; Q12-Y42 HydrophobicContact CB-CE1 4.05Å; Q12-Y42 HydrophobicContact CB-CG 4.09Å
13S95.8Very high97.8Very high40 Ų4036.5 Ų36.528%0.2821%0.206SC..  trans-101.4125.9-176.9174.80000112.9Y9 H11 S15 S16Y9-S13 PolarHBondContact OH-O 2.8Å; H11-S13 PolarHBondContact ND1-N 2.76Å; H11-S13 VanDerWaalsContact ND1-N 3.13Å; H11-S13 PolarHBondContact ND1-O 2.56Å; H11-S13 PolarHBondContact O-N 3.46Å; S13-S15 PolarHBondContact O-N 3.49Å; S13-S15 PolarHBondContact OG-N 3.16Å; S13-S15 PolarHBondContact OG-OG 2.83Å; S13-S16 VanDerWaalsContact O-CB 3.27Å; S13-S16 WeakPolarHBondContact O-CB 3.28Å; S13-S16 PolarHBondContact O-N 3.37Å; S13-S16 PolarHBondContact O-OG 3.3Å
14S94Very high98Very high111 Ų11132.7 Ų32.778%0.77619%0.19SC*.THydrogen-bonded Turntrans-70.6-16.2173.158.20000114A19S14-A19 WeakPolarHBondContact O-CB 3.33Å
15S95.8Very high98.1Very high108 Ų10829.2 Ų29.276%0.75518%0.175SC*.THydrogen-bonded Turntrans-96.96175.362.30000113.4S13S13-S15 PolarHBondContact O-N 3.49Å; S13-S15 PolarHBondContact OG-N 3.16Å; S13-S15 PolarHBondContact OG-OG 2.83Å
16S97.9Very high98.1Very high17 Ų1731.1 Ų31.112%0.11919%0.187CC..SBendtrans-72.9161.8179.971.40000113.1Y9 H11 S13 N18 A19 A20Y9-S16 PolarHBondContact OH-OG 3.48Å; H11-S16 WeakPolarHBondContact CE1-CB 3.28Å; H11-S16 WeakPolarHBondContact ND1-CB 3.48Å; H11-S16 PolarHBondContact ND1-OG 2.73Å; S13-S16 VanDerWaalsContact O-CB 3.27Å; S13-S16 WeakPolarHBondContact O-CB 3.28Å; S13-S16 PolarHBondContact O-N 3.37Å; S13-S16 PolarHBondContact O-OG 3.3Å; S16-N18 VanDerWaalsContact C-N 3.28Å; S16-N18 PolarHBondContact O-N 2.76Å; S16-A19 WeakPolarHBondContact O-CB 3.22Å; S16-A19 PolarHBondContact O-N 3.42Å; S16-A19 WeakPolarHBondContact OG-CB 3.42Å; S16-A19 PolarHBondContact OG-N 3.3Å; S16-A20 PolarHBondContact O-N 3Å; S16-A20 VanDerWaalsContact O-N 3.08Å
17F98.6Very high98.1Very high30 Ų3036.1 Ų36.113%0.13221%0.21CC..Hα-helixtrans-61.4-37.9170.6-170.7-83.8000111.9A19 A20 A21 T147 F189 P192 R200 M203 L204F17-A19 VanDerWaalsContact C-N 3.32Å; F17-A19 PolarHBondContact O-N 3.05Å; F17-A20 WeakPolarHBondContact O-CB 3.43Å; F17-A20 PolarHBondContact O-N 3.17Å; F17-A21 PolarHBondContact O-N 3.13Å; F17-T147 HydrophobicContact CD1-CG2 3.59Å; F17-T147 HydrophobicContact CE1-CG2 4.21Å; F17-F189 HydrophobicContact CD1-CG 4.42Å; F17-F189 HydrophobicContact CE1-CB 3.83Å; F17-F189 AromaticContact CE1-CD1 3.57Å; F17-F189 HydrophobicContact CE1-CD1 3.57Å; F17-F189 AromaticContact CE1-CD2 3.96Å; F17-F189 HydrophobicContact CE1-CD2 3.96Å; F17-F189 HydrophobicContact CE1-CE1 4.05Å; F17-F189 HydrophobicContact CE1-CE2 4.39Å; F17-F189 AromaticContact CE1-CG 3.51Å; F17-F189 HydrophobicContact CE1-CG 3.51Å; F17-F189 HydrophobicContact CE1-CZ 4.43Å; F17-F189 AromaticContact CZ-CD1 3.89Å; F17-F189 HydrophobicContact CZ-CD1 3.89Å; F17-F189 HydrophobicContact CZ-CE1 4.3Å; F17-F189 HydrophobicContact CZ-CG 4.25Å; F17-P192 HydrophobicContact CB-CB 4.4Å; F17-P192 HydrophobicContact CB-CG 4.46Å; F17-P192 HydrophobicContact CD1-CB 4.11Å; F17-P192 HydrophobicContact CD1-CG 4.12Å; F17-P192 HydrophobicContact CD2-CB 3.85Å; F17-P192 HydrophobicContact CE1-CB 4.37Å; F17-P192 HydrophobicContact CE2-CB 4.11Å; F17-P192 HydrophobicContact CG-CB 3.84Å; F17-P192 HydrophobicContact CG-CG 4.15Å; F17-P192 HydrophobicContact CZ-CB 4.35Å; F17-R200 HydrophobicContact CD2-CB 4.35Å; F17-R200 HydrophobicContact CD2-CG 4.18Å; F17-R200 HydrophobicContact CE2-CB 3.89Å; F17-R200 HydrophobicContact CE2-CG 4.01Å; F17-M203 HydrophobicContact CZ-CB 3.92Å; F17-M203 HydrophobicContact CZ-SD 4.24Å; F17-L204 HydrophobicContact CE1-CD2 3.92Å; F17-L204 HydrophobicContact CE2-CD1 4.07Å; F17-L204 HydrophobicContact CE2-CD2 3.89Å; F17-L204 HydrophobicContact CE2-CG 3.73Å; F17-L204 HydrophobicContact CZ-CD1 4.49Å; F17-L204 HydrophobicContact CZ-CD2 3.51Å; F17-L204 HydrophobicContact CZ-CG 3.7Å
18N98.8Very high98.1Very high4 Ų436.4 Ų36.42%0.02121%0.212CC..Hα-helixtrans-60.2-41.8174-77.8-78.7000111.5Y9 H11 S16 A20 A21 K22 Q100 F101 T147Y9-N18 HydrophobicContact CE2-CB 3.97Å; H11-N18 HydrophobicContact CB-CB 4.01Å; S16-N18 VanDerWaalsContact C-N 3.28Å; S16-N18 PolarHBondContact O-N 2.76Å; N18-A20 VanDerWaalsContact C-N 3.31Å; N18-A20 PolarHBondContact O-N 3.33Å; N18-A21 PolarHBondContact O-N 3.26Å; N18-K22 WeakPolarHBondContact O-CB 3.28Å; N18-K22 PolarHBondContact O-N 3.47Å; N18-Q100 HydrophobicContact CB-CG 4.27Å; N18-Q100 PolarHBondContact OD1-NE2 3.26Å; N18-F101 PolarHBondContact OD1-O 2.79Å; N18-F101 VanDerWaalsContact OD1-O 3.08Å; N18-T147 WeakPolarHBondContact ND2-CG2 3.28Å; N18-T147 PolarHBondContact ND2-OG1 3.09Å
19A98.7Very high98Very high0 Ų036.4 Ų36.40%021%0.212CC..Hα-helixtrans-61.9-41.5175.500000111.4Y9 S14 S16 F17 K22 N23Y9-A19 HydrophobicContact CE2-CB 4.5Å; Y9-A19 WeakPolarHBondContact OH-CB 3.36Å; S14-A19 WeakPolarHBondContact O-CB 3.33Å; S16-A19 WeakPolarHBondContact O-CB 3.22Å; S16-A19 PolarHBondContact O-N 3.42Å; S16-A19 WeakPolarHBondContact OG-CB 3.42Å; S16-A19 PolarHBondContact OG-N 3.3Å; F17-A19 VanDerWaalsContact C-N 3.32Å; F17-A19 PolarHBondContact O-N 3.05Å; A19-K22 WeakPolarHBondContact O-CE 3.29Å; A19-N23 WeakPolarHBondContact O-CB 3.43Å; A19-N23 PolarHBondContact O-N 3.08Å; A19-N23 PolarHBondContact O-ND2 2.89Å; A19-N23 PolarHBondContact O-OD1 2.63Å
20A98.7Very high98Very high33 Ų3339.7 Ų39.727%0.27323%0.232SC..Hα-helixtrans-63.6-44.6175.700000112.3S16 F17 N18 N23 I24 L204S16-A20 PolarHBondContact O-N 3Å; S16-A20 VanDerWaalsContact O-N 3.08Å; F17-A20 WeakPolarHBondContact O-CB 3.43Å; F17-A20 PolarHBondContact O-N 3.17Å; N18-A20 VanDerWaalsContact C-N 3.31Å; N18-A20 PolarHBondContact O-N 3.33Å; A20-N23 PolarHBondContact O-N 2.83Å; A20-I24 WeakPolarHBondContact O-CG1 3.05Å; A20-I24 PolarHBondContact O-N 3.24Å; A20-L204 HydrophobicContact CB-CD1 4.15Å; A20-L204 HydrophobicContact CB-CD2 4.36Å
21A98.8Very high98Very high0 Ų043.9 Ų43.90%027%0.267CS..Hα-helixtrans-62.4-45177.300000112.2F17 N18 I24 A25 Q100 F189 L204 W207F17-A21 PolarHBondContact O-N 3.13Å; N18-A21 PolarHBondContact O-N 3.26Å; A21-I24 PolarHBondContact O-N 2.7Å; A21-A25 PolarHBondContact O-N 3.13Å; A21-Q100 VanDerWaalsContact CB-OE1 3.27Å; A21-F189 HydrophobicContact CB-CE2 3.83Å; A21-F189 HydrophobicContact CB-CZ 3.98Å; A21-L204 HydrophobicContact CB-CD2 4.21Å; A21-W207 PolarHBondContact O-NE1 2.7Å
22K98.8Very high97.9Very high28 Ų2845.9 Ų45.912%0.12228%0.276CS..Hα-helixtrans-61.4-45172.6171.7-124.836170.50112I7 Y9 N18 A19 I24 A25 V26 V38 Q100I7-K22 HydrophobicContact CG2-CG 3.85Å; Y9-K22 HydrophobicContact CD1-CD 4.42Å; Y9-K22 HydrophobicContact CD2-CB 3.88Å; Y9-K22 HydrophobicContact CD2-CD 4.05Å; Y9-K22 HydrophobicContact CD2-CG 4.1Å; Y9-K22 HydrophobicContact CE2-CB 4.32Å; Y9-K22 HydrophobicContact CG-CD 3.96Å; Y9-K22 HydrophobicContact CG-CG 4.3Å; N18-K22 WeakPolarHBondContact O-CB 3.28Å; N18-K22 PolarHBondContact O-N 3.47Å; A19-K22 WeakPolarHBondContact O-CE 3.29Å; K22-I24 VanDerWaalsContact C-N 3.3Å; K22-I24 PolarHBondContact O-N 3.03Å; K22-A25 WeakPolarHBondContact O-CB 3.24Å; K22-A25 PolarHBondContact O-N 3.4Å; K22-A25 VanDerWaalsContact O-N 3.15Å; K22-V26 WeakPolarHBondContact O-CG2 3.4Å; K22-V26 PolarHBondContact O-N 3.25Å; K22-V38 HydrophobicContact CD-CG1 3.98Å; K22-Q100 HydrophobicContact CB-CB 4.36Å; K22-Q100 HydrophobicContact CB-CG 4.05Å
23N98.8Very high98Very high82 Ų8242.9 Ų42.944%0.43928%0.275SS..Hα-helixtrans-61.3-39.3179.2-72.9-14.7000111.9A19 A20 V26 E27A19-N23 WeakPolarHBondContact O-CB 3.43Å; A19-N23 PolarHBondContact O-N 3.08Å; A19-N23 PolarHBondContact O-ND2 2.89Å; A19-N23 PolarHBondContact O-OD1 2.63Å; A20-N23 PolarHBondContact O-N 2.83Å; N23-V26 PolarHBondContact O-N 3.01Å; N23-E27 WeakPolarHBondContact O-CB 3.45Å; N23-E27 PolarHBondContact O-N 3.3Å
24I98.8Very high98.1Very high16 Ų1641.5 Ų41.58%0.08227%0.265CS..Hα-helixtrans-64.6-41.9174.7-71.3174.9000111.1A20 A21 K22 V26 E27 V28 L204 R208 L211A20-I24 WeakPolarHBondContact O-CG1 3.05Å; A20-I24 PolarHBondContact O-N 3.24Å; A21-I24 PolarHBondContact O-N 2.7Å; K22-I24 VanDerWaalsContact C-N 3.3Å; K22-I24 PolarHBondContact O-N 3.03Å; I24-V26 PolarHBondContact O-N 3.3Å; I24-E27 PolarHBondContact O-N 3.48Å; I24-V28 HydrophobicContact CG2-CG2 4.06Å; I24-V28 WeakPolarHBondContact O-CB 3.47Å; I24-V28 VanDerWaalsContact O-CG2 3.28Å; I24-V28 WeakPolarHBondContact O-CG2 3.45Å; I24-V28 PolarHBondContact O-N 2.94Å; I24-L204 HydrophobicContact CD1-CB 3.65Å; I24-L204 HydrophobicContact CD1-CD1 4.26Å; I24-L204 HydrophobicContact CD1-CD2 3.89Å; I24-L204 HydrophobicContact CD1-CG 4.12Å; I24-R208 HydrophobicContact CG2-CB 3.89Å; I24-L211 HydrophobicContact CG2-CD1 3.88Å
25A98.8Very high98.3Very high1 Ų140.1 Ų40.11%0.00825%0.252CS..Hα-helixtrans-59.7-45.7175.600000111.8I7 A21 K22 L29 W207 L211I7-A25 HydrophobicContact CD1-CB 3.81Å; A21-A25 PolarHBondContact O-N 3.13Å; K22-A25 WeakPolarHBondContact O-CB 3.24Å; K22-A25 PolarHBondContact O-N 3.4Å; K22-A25 VanDerWaalsContact O-N 3.15Å; A25-L29 VanDerWaalsContact O-CB 3.29Å; A25-L29 WeakPolarHBondContact O-CB 3.41Å; A25-L29 WeakPolarHBondContact O-CD1 3.49Å; A25-L29 VanDerWaalsContact O-CG 3.27Å; A25-L29 WeakPolarHBondContact O-CG 3.44Å; A25-L29 PolarHBondContact O-N 2.87Å; A25-W207 HydrophobicContact CB-CZ2 3.94Å; A25-L211 HydrophobicContact CB-CD1 4.11Å; A25-L211 HydrophobicContact CB-CD2 4.15Å
26V98.8Very high98.4Very high43 Ų4336.4 Ų36.426%0.26123%0.225SC..Hα-helixtrans-58.4-51.3174.2175.30000111.1I7 K22 N23 I24 T30 V36 V38I7-V26 HydrophobicContact CD1-CG2 3.74Å; K22-V26 WeakPolarHBondContact O-CG2 3.4Å; K22-V26 PolarHBondContact O-N 3.25Å; N23-V26 PolarHBondContact O-N 3.01Å; I24-V26 PolarHBondContact O-N 3.3Å; V26-T30 WeakPolarHBondContact O-CB 3.17Å; V26-T30 PolarHBondContact O-N 3.42Å; V26-T30 PolarHBondContact O-OG1 3.15Å; V26-V36 HydrophobicContact CB-CG1 4.48Å; V26-V36 HydrophobicContact CG2-CG1 4.04Å; V26-V38 HydrophobicContact CG2-CG2 3.74Å
27E98.7Very high98.4Very high107 Ų10739.7 Ų39.750%0.524%0.238SC..Hα-helixtrans-57.2-52.7-178.5-177.3-164.7136.400111.7N23 I24 A31 R208N23-E27 WeakPolarHBondContact O-CB 3.45Å; N23-E27 PolarHBondContact O-N 3.3Å; I24-E27 PolarHBondContact O-N 3.48Å; E27-A31 WeakPolarHBondContact O-CB 3.35Å; E27-A31 PolarHBondContact O-N 3.2Å; E27-R208 IonicContact OE1-CZ 3.66Å; E27-R208 IonicContact OE1-NE 3.35Å; E27-R208 IonicContact OE1-NH2 3.75Å; E27-R208 PolarHBondContact OE1-NH2 2.85Å; E27-R208 IonicContact OE2-NH2 2.63Å; E27-R208 PolarHBondContact OE2-NH2 3.18Å
28V98.7Very high98.5Very high6 Ų640.7 Ų40.74%0.03625%0.247CC..Hα-helixtrans-68.9-47.7-173.4172.70000111.5I24 T30 A31 Q32 R208 L211I24-V28 HydrophobicContact CG2-CG2 4.06Å; I24-V28 WeakPolarHBondContact O-CB 3.47Å; I24-V28 VanDerWaalsContact O-CG2 3.28Å; I24-V28 WeakPolarHBondContact O-CG2 3.45Å; I24-V28 PolarHBondContact O-N 2.94Å; V28-T30 VanDerWaalsContact C-N 3.35Å; V28-T30 PolarHBondContact O-N 3.41Å; V28-A31 WeakPolarHBondContact O-CB 3.15Å; V28-A31 PolarHBondContact O-N 2.59Å; V28-Q32 VanDerWaalsContact CG1-NE2 3.29Å; V28-Q32 WeakPolarHBondContact O-CG 3.38Å; V28-Q32 PolarHBondContact O-N 3.13Å; V28-Q32 VanDerWaalsContact O-N 3.1Å; V28-R208 HydrophobicContact CG2-CB 4.39Å; V28-R208 HydrophobicContact CG2-CG 3.81Å; V28-L211 HydrophobicContact CB-CB 4.11Å; V28-L211 HydrophobicContact CB-CD1 4.16Å; V28-L211 HydrophobicContact CG1-CB 3.54Å; V28-L211 HydrophobicContact CG1-CD1 4.5Å; V28-L211 HydrophobicContact CG2-CD1 4.29Å
29L98.4Very high98.5Very high0 Ų040.5 Ų40.50%025%0.246CC..Hα-helixtrans-69.8-35.5-177.2-64.1167.9000111.2V5 A25 A31 Q32 G33 C34 V36 I98 L211V5-L29 HydrophobicContact CB-CD1 4.48Å; V5-L29 HydrophobicContact CG1-CD1 3.91Å; V5-L29 HydrophobicContact CG2-CD1 4.24Å; A25-L29 VanDerWaalsContact O-CB 3.29Å; A25-L29 WeakPolarHBondContact O-CB 3.41Å; A25-L29 WeakPolarHBondContact O-CD1 3.49Å; A25-L29 VanDerWaalsContact O-CG 3.27Å; A25-L29 WeakPolarHBondContact O-CG 3.44Å; A25-L29 PolarHBondContact O-N 2.87Å; L29-A31 VanDerWaalsContact C-N 3.34Å; L29-Q32 PolarHBondContact O-N 2.93Å; L29-G33 PolarHBondContact O-N 3.32Å; L29-C34 HydrophobicContact CB-CB 4.29Å; L29-C34 WeakPolarHBondContact O-CB 3.42Å; L29-C34 PolarHBondContact O-N 3.12Å; L29-V36 HydrophobicContact CB-CG2 3.77Å; L29-I98 HydrophobicContact CD1-CD1 3.89Å; L29-L211 HydrophobicContact CD1-CD2 3.87Å; L29-L211 HydrophobicContact CD2-CD2 4.11Å; L29-L211 HydrophobicContact CG-CD2 3.92Å
30T98.4Very high98.5Very high73 Ų7342.3 Ų42.345%0.44826%0.256SS..Hα-helixtrans-63.6-41.5172-55.30000111.1V26 V28 Q32 G33V26-T30 WeakPolarHBondContact O-CB 3.17Å; V26-T30 PolarHBondContact O-N 3.42Å; V26-T30 PolarHBondContact O-OG1 3.15Å; V28-T30 VanDerWaalsContact C-N 3.35Å; V28-T30 PolarHBondContact O-N 3.41Å; T30-Q32 PolarHBondContact O-N 2.98Å; T30-G33 PolarHBondContact O-N 3.35Å
31A97.9Very high98.5Very high88 Ų8840.8 Ų40.873%0.72724%0.243SC*.Hα-helixtrans-64.5-24.6177.400000113.3E27 V28 L29 G33E27-A31 WeakPolarHBondContact O-CB 3.35Å; E27-A31 PolarHBondContact O-N 3.2Å; V28-A31 WeakPolarHBondContact O-CB 3.15Å; V28-A31 PolarHBondContact O-N 2.59Å; L29-A31 VanDerWaalsContact C-N 3.34Å; A31-G33 PolarHBondContact O-N 2.86Å
32Q97Very high98.5Very high67 Ų6744.8 Ų44.831%0.31326%0.258SS..THydrogen-bonded Turntrans-80.9-0.8172.1-68.3168.820.700113.6V28 L29 T30 L211 Q212V28-Q32 VanDerWaalsContact CG1-NE2 3.29Å; V28-Q32 WeakPolarHBondContact O-CG 3.38Å; V28-Q32 PolarHBondContact O-N 3.13Å; V28-Q32 VanDerWaalsContact O-N 3.1Å; L29-Q32 PolarHBondContact O-N 2.93Å; T30-Q32 PolarHBondContact O-N 2.98Å; Q32-L211 PolarHBondContact NE2-O 3.07Å; Q32-Q212 VanDerWaalsContact NE2-CA 3.3Å
33G97.4Very high98.4Very high47 Ų4747.3 Ų47.349%0.48529%0.285SS..THydrogen-bonded Turntrans88.213.1-179.900000114.5A2 L29 T30 A31A2-G33 WeakPolarHBondContact CB-O 3.4Å; L29-G33 PolarHBondContact O-N 3.32Å; T30-G33 PolarHBondContact O-N 3.35Å; A31-G33 PolarHBondContact O-N 2.86Å
34C98.1Very high98.4Very high10 Ų1047.4 Ų47.47%0.06828%0.283CS..  trans-75.9147.8171.1-57.60000111.3K3 V5 L29 V36K3-C34 CarbonylContact O-C 3.59Å; K3-C34 WeakPolarHBondContact O-CA 3.41Å; K3-C34 WeakPolarHBondContact O-CB 3.44Å; V5-C34 HydrophobicContact CG2-CB 4Å; L29-C34 HydrophobicContact CB-CB 4.29Å; L29-C34 WeakPolarHBondContact O-CB 3.42Å; L29-C34 PolarHBondContact O-N 3.12Å; C34-V36 HydrophobicContact CB-CG2 4.3Å
35T98.3Very high98.3Very high82 Ų8249.7 Ų49.750%0.50331%0.31SS..EExtended strand (participates in β ladder)trans-85.5113164-59.90000108K3 K4 V5K3-T35 PolarHBondContact O-N 3.21Å; K4-T35 CarbonylContact C-O 3.55Å; K4-T35 WeakPolarHBondContact CA-O 3.47Å; V5-T35 PolarHBondContact N-O 2.95Å
36V98.6Very high98.3Very high31 Ų3150.3 Ų50.319%0.18831%0.313CS..EExtended strand (participates in β ladder)trans-105124.4-178.2-171.50000110.5V5 I7 V26 L29 C34V5-V36 HydrophobicContact CB-CG1 4.45Å; V5-V36 HydrophobicContact CB-CG2 4.34Å; V5-V36 WeakPolarHBondContact O-CA 3.44Å; I7-V36 HydrophobicContact CD1-CG1 3.72Å; I7-V36 HydrophobicContact CG1-CG1 4.07Å; V26-V36 HydrophobicContact CB-CG1 4.48Å; V26-V36 HydrophobicContact CG2-CG1 4.04Å; L29-V36 HydrophobicContact CB-CG2 3.77Å; C34-V36 HydrophobicContact CB-CG2 4.3Å
37E98.5Very high98.3Very high85 Ų8550.9 Ų50.940%0.39731%0.312SS..EExtended strand (participates in β ladder)trans-113.7145.7172.2-171.7162.9-172.700110.5V5 I7 K90V5-E37 PolarHBondContact O-N 3.04Å; I7-E37 PolarHBondContact N-O 3.13Å; E37-K90 HydrophobicContact CG-CD 4.23Å; E37-K90 WeakPolarHBondContact OE1-CD 3.43Å; E37-K90 WeakPolarHBondContact OE1-CE 3.26Å; E37-K90 IonicContact OE1-NZ 3.89Å
38V98.8Very high98.2Very high51 Ų5147.4 Ų47.431%0.30930%0.301SS..EExtended strand (participates in β ladder)trans-124.3123.5-177.4-175.90000110.1I7 K22 V26 D40I7-V38 HydrophobicContact CB-CG2 4.36Å; I7-V38 CarbonylContact O-C 3.54Å; I7-V38 WeakPolarHBondContact O-CA 3.41Å; K22-V38 HydrophobicContact CD-CG1 3.98Å; V26-V38 HydrophobicContact CG2-CG2 3.74Å; V38-D40 HydrophobicContact CG1-CB 4.42Å
39S98.8Very high98.2Very high0 Ų051.2 Ų51.20%033%0.325CS..EExtended strand (participates in β ladder)trans-9688.8164.9-70.50000109.1I7 Y9 L41 E87 K90I7-S39 PolarHBondContact O-N 3.12Å; Y9-S39 PolarHBondContact N-O 2.95Å; S39-L41 PolarHBondContact O-N 3.39Å; S39-E87 WeakPolarHBondContact CB-OE2 3.42Å; S39-E87 VanDerWaalsContact OG-CD 3.25Å; S39-E87 PolarHBondContact OG-OE1 3.44Å; S39-E87 VanDerWaalsContact OG-OE1 3.13Å; S39-E87 PolarHBondContact OG-OE2 3.5Å; S39-K90 PolarHBondContact OG-NZ 3.48Å
40D98.8Very high98.1Very high39 Ų3953.1 Ų53.121%0.20934%0.341CS..EExtended strand (participates in β ladder)trans-8095172.8-174.1-31.8000109Y9 V38 Y42 A43 M44Y9-D40 HydrophobicContact CD1-CB 4.08Å; Y9-D40 VanDerWaalsContact CD1-CG 3.45Å; Y9-D40 WeakPolarHBondContact CD1-OD2 3.44Å; Y9-D40 WeakPolarHBondContact CE1-OD2 3.09Å; V38-D40 HydrophobicContact CG1-CB 4.42Å; D40-Y42 PolarHBondContact O-N 3.33Å; D40-Y42 PolarHBondContact OD1-N 3.47Å; D40-A43 HydrophobicContact CB-CB 3.84Å; D40-A43 VanDerWaalsContact CG-CB 3.42Å; D40-A43 PolarHBondContact O-N 2.97Å; D40-A43 VanDerWaalsContact O-N 3.15Å; D40-A43 WeakPolarHBondContact OD1-CB 3.35Å; D40-A43 PolarHBondContact OD1-N 3.15Å; D40-M44 WeakPolarHBondContact O-CB 3.31Å; D40-M44 WeakPolarHBondContact O-CG 3.1Å; D40-M44 PolarHBondContact O-N 2.76Å
41L98.8Very high98.1Very high0 Ų051.7 Ų51.70%033%0.332CS..THydrogen-bonded Turntrans-60.4-35-169.3-58.6-174.6000112.4V8 Y9 A10 S39 G45 F46 I111 L112 W115V8-L41 HydrophobicContact CG1-CD1 3.99Å; V8-L41 HydrophobicContact CG1-CD2 4.04Å; V8-L41 HydrophobicContact CG1-CG 4.09Å; Y9-L41 PolarHBondContact O-N 2.85Å; A10-L41 HydrophobicContact CB-CD1 4.13Å; S39-L41 PolarHBondContact O-N 3.39Å; L41-G45 PolarHBondContact O-N 2.96Å; L41-F46 HydrophobicContact CB-CB 4.2Å; L41-F46 HydrophobicContact CD2-CB 4.25Å; L41-F46 HydrophobicContact CD2-CD2 4.48Å; L41-F46 HydrophobicContact CD2-CG 4.18Å; L41-F46 WeakPolarHBondContact O-CB 3.23Å; L41-F46 PolarHBondContact O-N 3.36Å; L41-I111 HydrophobicContact CB-CD1 3.79Å; L41-I111 HydrophobicContact CB-CG1 3.99Å; L41-I111 HydrophobicContact CB-CG2 4.32Å; L41-I111 HydrophobicContact CD1-CG1 4.44Å; L41-I111 HydrophobicContact CD1-CG2 4.26Å; L41-I111 WeakPolarHBondContact O-CD1 3.41Å; L41-L112 HydrophobicContact CD1-CB 4.11Å; L41-L112 HydrophobicContact CD1-CD1 4.04Å; L41-W115 HydrophobicContact CD1-CB 3.98Å; L41-W115 HydrophobicContact CD1-CG 4.32Å; L41-W115 HydrophobicContact CD2-CB 4.39Å; L41-W115 VanDerWaalsContact CD2-CD1 3.41Å; L41-W115 HydrophobicContact CD2-CG 4.04Å
42Y98.6Very high98Very high85 Ų8549.4 Ų49.433%0.33331%0.313SS..THydrogen-bonded Turntrans-75.1-43.6177.9-78-87000111.6Q12 D40 M44 G45 I111Q12-Y42 HydrophobicContact CB-CD1 3.82Å; Q12-Y42 HydrophobicContact CB-CE1 4.05Å; Q12-Y42 HydrophobicContact CB-CG 4.09Å; D40-Y42 PolarHBondContact O-N 3.33Å; D40-Y42 PolarHBondContact OD1-N 3.47Å; Y42-M44 VanDerWaalsContact C-N 3.26Å; Y42-M44 PolarHBondContact O-N 2.71Å; Y42-G45 PolarHBondContact O-N 3.38Å; Y42-G45 VanDerWaalsContact O-N 3.12Å; Y42-I111 HydrophobicContact CD1-CD1 4.43Å; Y42-I111 HydrophobicContact CD2-CD1 4.48Å; Y42-I111 HydrophobicContact CD2-CG2 4.21Å; Y42-I111 HydrophobicContact CE2-CG2 3.56Å; Y42-I111 HydrophobicContact CG-CD1 4.4Å
43A98.1Very high98Very high81 Ų8153.4 Ų53.467%0.66933%0.332SS*.THydrogen-bonded Turntrans-65.8-31.7177.300000112.5D40 G45D40-A43 HydrophobicContact CB-CB 3.84Å; D40-A43 VanDerWaalsContact CG-CB 3.42Å; D40-A43 PolarHBondContact O-N 2.97Å; D40-A43 VanDerWaalsContact O-N 3.15Å; D40-A43 WeakPolarHBondContact OD1-CB 3.35Å; D40-A43 PolarHBondContact OD1-N 3.15Å; A43-G45 VanDerWaalsContact C-N 3.25Å; A43-G45 PolarHBondContact O-N 3.32Å
44M97.9Very high98Very high84 Ų8451.2 Ų51.241%0.41431%0.309SS..THydrogen-bonded Turntrans-73.3-15.7174.7-69.8163.560.400113.2D40 Y42 F46 E87D40-M44 WeakPolarHBondContact O-CB 3.31Å; D40-M44 WeakPolarHBondContact O-CG 3.1Å; D40-M44 PolarHBondContact O-N 2.76Å; Y42-M44 VanDerWaalsContact C-N 3.26Å; Y42-M44 PolarHBondContact O-N 2.71Å; M44-F46 HydrophobicContact CE-CD2 4.34Å; M44-F46 PolarHBondContact O-N 3.32Å; M44-E87 WeakPolarHBondContact CE-OE1 3.46Å
45G97.8Very high98Very high63 Ų6351.3 Ų51.365%0.64931%0.309SS*.THydrogen-bonded Turntrans59.438.7-168.200000111.8L41 Y42 A43 K47L41-G45 PolarHBondContact O-N 2.96Å; Y42-G45 PolarHBondContact O-N 3.38Å; Y42-G45 VanDerWaalsContact O-N 3.12Å; A43-G45 VanDerWaalsContact C-N 3.25Å; A43-G45 PolarHBondContact O-N 3.32Å; G45-K47 PolarHBondContact O-N 2.88Å
46F98.4Very high97.9Very high15 Ų1551.3 Ų51.37%0.06630%0.302CS..  trans-59.2126.7-172.4-175.8-92000111.2L41 M44 A48 E87 I111 W115 R118 V119L41-F46 HydrophobicContact CB-CB 4.2Å; L41-F46 HydrophobicContact CD2-CB 4.25Å; L41-F46 HydrophobicContact CD2-CD2 4.48Å; L41-F46 HydrophobicContact CD2-CG 4.18Å; L41-F46 WeakPolarHBondContact O-CB 3.23Å; L41-F46 PolarHBondContact O-N 3.36Å; M44-F46 HydrophobicContact CE-CD2 4.34Å; M44-F46 PolarHBondContact O-N 3.32Å; F46-A48 PolarHBondContact O-N 3.45Å; F46-E87 HydrophobicContact CE2-CG 4.33Å; F46-I111 HydrophobicContact CB-CD1 4.27Å; F46-I111 HydrophobicContact CB-CG1 4.39Å; F46-I111 HydrophobicContact CD1-CG1 4.35Å; F46-W115 HydrophobicContact CD1-CB 4.22Å; F46-W115 HydrophobicContact CE1-CB 3.69Å; F46-W115 HydrophobicContact CE1-CG 4.22Å; F46-W115 AromaticContact CE2-CD1 3.73Å; F46-W115 HydrophobicContact CZ-CB 4.05Å; F46-W115 AromaticContact CZ-CD1 3.66Å; F46-W115 HydrophobicContact CZ-CG 4.12Å; F46-R118 HydrophobicContact CZ-CB 4.4Å; F46-V119 HydrophobicContact CE2-CG2 4.46Å; F46-V119 HydrophobicContact CZ-CG2 4.14Å
47K98.3Very high97.6Very high54 Ų5452.9 Ų52.924%0.23532%0.324CS..  trans-71.7117.3176.7173.7-175.2172.4-171.60109.5G45 T49 T51 E53 D54 R118G45-K47 PolarHBondContact O-N 2.88Å; K47-T49 VanDerWaalsContact CE-O 3.23Å; K47-T49 WeakPolarHBondContact CE-O 3.32Å; K47-T49 WeakPolarHBondContact CE-OG1 3.44Å; K47-T51 PolarHBondContact NZ-OG1 2.84Å; K47-E53 VanDerWaalsContact NZ-CB 3.28Å; K47-E53 IonicContact NZ-OE2 2.61Å; K47-E53 PolarHBondContact NZ-OE2 3.44Å; K47-D54 IonicContact NZ-OD1 2.86Å; K47-D54 PolarHBondContact NZ-OD1 2.79Å; K47-R118 WeakPolarHBondContact O-CD 3.31Å; K47-R118 PolarHBondContact O-NH1 2.89Å
48A97.8Very high97.4Very high34 Ų3456 Ų5628%0.28134%0.343SS..  trans-86.1-20.6-175.700000114F46 I111 G114F46-A48 PolarHBondContact O-N 3.45Å; A48-I111 HydrophobicContact CB-CG1 4.46Å; A48-G114 WeakPolarHBondContact O-CA 3.25Å
49T98Very high97.2Very high87 Ų8755.8 Ų55.853%0.53434%0.34SS..  trans-87.5119.5-173.1520000111.4K47 T51K47-T49 VanDerWaalsContact CE-O 3.23Å; K47-T49 WeakPolarHBondContact CE-O 3.32Å; K47-T49 WeakPolarHBondContact CE-OG1 3.44Å; T49-T51 PolarHBondContact O-N 3.24Å
50A96.9Very high97Very high40 Ų4063.5 Ų63.533%0.33137%0.374SS..  trans-70.7119.5169.600000110.5D54 Y67 D117 R118A50-D54 WeakPolarHBondContact CA-OD2 3.34Å; A50-Y67 HydrophobicContact CB-CD1 4.33Å; A50-Y67 HydrophobicContact CB-CD2 4.14Å; A50-Y67 HydrophobicContact CB-CE1 3.89Å; A50-Y67 HydrophobicContact CB-CE2 3.69Å; A50-Y67 HydrophobicContact CB-CG 4.46Å; A50-D117 HydrophobicContact CB-CB 4.41Å; A50-R118 HydrophobicContact CB-CG 4.06Å
51T96.9Very high96.8Very high43 Ų4364.7 Ų64.726%0.26438%0.38SS..  trans-151.2169.5-173.557.40000111.7K47 T49 E53 D54K47-T51 PolarHBondContact NZ-OG1 2.84Å; T49-T51 PolarHBondContact O-N 3.24Å; T51-E53 PolarHBondContact O-N 3.49Å; T51-E53 VanDerWaalsContact O-N 3.08Å; T51-D54 PolarHBondContact N-OD2 2.95Å; T51-D54 VanDerWaalsContact O-CB 3.31Å; T51-D54 WeakPolarHBondContact O-CB 3.46Å; T51-D54 PolarHBondContact O-N 3.06Å
52A96.6Very high96.5Very high39 Ų3968.1 Ų68.132%0.32241%0.408SS..G310 helixtrans-55.3-25.1174.500000114.5D54 I55 L59 F65A52-D54 PolarHBondContact O-N 3.48Å; A52-D54 VanDerWaalsContact O-N 3.17Å; A52-I55 PolarHBondContact O-N 3.24Å; A52-I55 VanDerWaalsContact O-N 3.13Å; A52-L59 HydrophobicContact CB-CD1 4.01Å; A52-F65 HydrophobicContact CB-CD2 4.3Å; A52-F65 HydrophobicContact CB-CE1 4.49Å; A52-F65 HydrophobicContact CB-CE2 3.86Å; A52-F65 HydrophobicContact CB-CZ 3.96Å
53E96.5Very high96.2Very high151 Ų15172.7 Ų72.771%0.70643%0.433SS*.G310 helixtrans-65.3-13176-65175.2-17700113.8K47 T51 I55K47-E53 VanDerWaalsContact NZ-CB 3.28Å; K47-E53 IonicContact NZ-OE2 2.61Å; K47-E53 PolarHBondContact NZ-OE2 3.44Å; T51-E53 PolarHBondContact O-N 3.49Å; T51-E53 VanDerWaalsContact O-N 3.08Å; E53-I55 PolarHBondContact O-N 2.9Å
54D97.4Very high96.1Very high1 Ų174.3 Ų74.31%0.00543%0.43CS..G310 helixtrans-75-5.6175.2-61-31.3000112.1K47 A50 T51 A52 Y67 L80 S81 I84 R118K47-D54 IonicContact NZ-OD1 2.86Å; K47-D54 PolarHBondContact NZ-OD1 2.79Å; A50-D54 WeakPolarHBondContact CA-OD2 3.34Å; T51-D54 PolarHBondContact N-OD2 2.95Å; T51-D54 VanDerWaalsContact O-CB 3.31Å; T51-D54 WeakPolarHBondContact O-CB 3.46Å; T51-D54 PolarHBondContact O-N 3.06Å; A52-D54 PolarHBondContact O-N 3.48Å; A52-D54 VanDerWaalsContact O-N 3.17Å; D54-Y67 HydrophobicContact CB-CE2 4.26Å; D54-Y67 PolarHBondContact OD2-OH 3.24Å; D54-L80 CarbonylContact O-C 3.52Å; D54-L80 WeakPolarHBondContact O-CA 3.27Å; D54-S81 PolarHBondContact O-N 3.3Å; D54-I84 HydrophobicContact CB-CD1 3.72Å; D54-R118 IonicContact OD1-CZ 3.24Å; D54-R118 IonicContact OD1-NE 2.7Å; D54-R118 PolarHBondContact OD1-NE 3.31Å; D54-R118 IonicContact OD1-NH2 2.8Å; D54-R118 PolarHBondContact OD1-NH2 3.04Å; D54-R118 IonicContact OD2-NE 3.37Å; D54-R118 PolarHBondContact OD2-NE 3.12Å
55I97.6Very high95.9Very high13 Ų1373.9 Ų73.97%0.06743%0.426CS..BIsolated β-bridgetrans-117125.5-175.9-57.8174.9000109.2A52 E53 L59 F65 E70 A74A52-I55 PolarHBondContact O-N 3.24Å; A52-I55 VanDerWaalsContact O-N 3.13Å; E53-I55 PolarHBondContact O-N 2.9Å; I55-L59 HydrophobicContact CB-CD2 4.06Å; I55-L59 HydrophobicContact CD1-CD2 3.85Å; I55-L59 HydrophobicContact CG2-CD2 3.99Å; I55-F65 HydrophobicContact CD1-CE2 4.24Å; I55-E70 HydrophobicContact CD1-CB 3.43Å; I55-E70 VanDerWaalsContact CD1-CB 3.43Å; I55-A74 HydrophobicContact CB-CB 4.35Å; I55-A74 HydrophobicContact CD1-CB 4.31Å; I55-A74 HydrophobicContact CG1-CB 3.91Å; I55-A74 HydrophobicContact CG2-CB 3.81Å
56K96.6Very high95.8Very high82 Ų8273.3 Ų73.336%0.35741%0.412SS..  trans-84.5138.9174-61.1170.4-177.7147.60110.2R79 L80 D82K56-R79 HydrophobicContact CB-CB 4.46Å; K56-R79 VanDerWaalsContact CB-O 3.28Å; K56-R79 WeakPolarHBondContact CB-O 3.43Å; K56-R79 WeakPolarHBondContact CG-O 3.17Å; K56-R79 PolarHBondContact N-O 2.8Å; K56-R79 WeakPolarHBondContact O-CD 3.44Å; K56-R79 PolarHBondContact O-NH1 3.14Å; K56-L80 VanDerWaalsContact CE-O 3.24Å; K56-L80 WeakPolarHBondContact CE-O 3.19Å; K56-L80 PolarHBondContact NZ-O 3.26Å; K56-D82 IonicContact NZ-OD1 2.76Å; K56-D82 PolarHBondContact NZ-OD1 2.97Å; K56-D82 IonicContact NZ-OD2 3.72Å
57G93.4Very high95.7Very high63 Ų6374.9 Ų74.965%0.64942%0.418SS*.SBendtrans79.1-158.7179.300000112.6
58D93.6Very high95.4Very high150 Ų15074.6 Ų74.680%0.80242%0.419SS*.  trans-76.3144.7-173.9-59.3-37.2000112R79D58-R79 PolarHBondContact O-NH1 3.47Å
59L95.3Very high95.2Very high48 Ų4877.4 Ų77.425%0.25143%0.426SS..  trans-81.1149.4169.5-58.4175.1000109.4A52 I55 A62 F65A52-L59 HydrophobicContact CB-CD1 4.01Å; I55-L59 HydrophobicContact CB-CD2 4.06Å; I55-L59 HydrophobicContact CD1-CD2 3.85Å; I55-L59 HydrophobicContact CG2-CD2 3.99Å; L59-A62 HydrophobicContact CB-CB 4.26Å; L59-A62 HydrophobicContact CD1-CB 4.07Å; L59-F65 HydrophobicContact CD1-CD2 3.91Å; L59-F65 HydrophobicContact CD1-CE2 4.29Å; L59-F65 HydrophobicContact CD2-CD2 4.4Å; L59-F65 HydrophobicContact CD2-CE2 4.09Å
60K94.6Very high95.1Very high162 Ų16273.5 Ų73.570%0.70440%0.402SS*.SBendtrans-66.9-43.2175.2177.7-173.1171.8-170.80111.5E70 L73K60-E70 WeakPolarHBondContact CA-OE1 3.39Å; K60-E70 WeakPolarHBondContact CB-OE1 3.39Å; K60-E70 VanDerWaalsContact N-CD 3.34Å; K60-E70 PolarHBondContact N-OE1 3.43Å; K60-E70 PolarHBondContact N-OE2 2.8Å; K60-L73 HydrophobicContact CB-CD2 3.98Å; K60-L73 HydrophobicContact CD-CD2 4.17Å
61D93.2Very high94.9Very high64 Ų6471.8 Ų71.834%0.34239%0.387SS..  trans-140.988.4177-171-13.4000110.1E63 N64 F65 E70D61-E63 VanDerWaalsContact C-N 3.26Å; D61-E63 PolarHBondContact O-N 3.07Å; D61-E63 PolarHBondContact OD1-N 3.44Å; D61-E63 VanDerWaalsContact OD1-N 3.13Å; D61-N64 CarbonylContact O-C 3.53Å; D61-N64 PolarHBondContact OD1-N 2.9Å; D61-N64 PolarHBondContact OD1-ND2 3.13Å; D61-N64 WeakPolarHBondContact OD2-CB 3.3Å; D61-N64 PolarHBondContact OD2-ND2 3.05Å; D61-N64 VanDerWaalsContact OD2-ND2 3.07Å; D61-F65 WeakPolarHBondContact O-CA 3.32Å; D61-F65 PolarHBondContact O-N 2.94Å; D61-E70 PolarHBondContact N-OE1 2.88Å
62A92.4Very high94.7Very high72 Ų7272.4 Ų72.460%0.59539%0.386SS*.SBendtrans-68.9-24.6178.100000113.2L59L59-A62 HydrophobicContact CB-CB 4.26Å; L59-A62 HydrophobicContact CD1-CB 4.07Å
63E93.8Very high94.6Very high181 Ų18172.4 Ų72.485%0.84638%0.381SS*.THydrogen-bonded Turntrans-76.9-34.8-179.7-64.6-172.3168.100111.2D61D61-E63 VanDerWaalsContact C-N 3.26Å; D61-E63 PolarHBondContact O-N 3.07Å; D61-E63 PolarHBondContact OD1-N 3.44Å; D61-E63 VanDerWaalsContact OD1-N 3.13Å
64N94.3Very high94.6Very high115 Ų11565.2 Ų65.262%0.61535%0.347SS*.THydrogen-bonded Turntrans-119.855.1177.1-50.9-74.6000111.8D61 S66D61-N64 CarbonylContact O-C 3.53Å; D61-N64 PolarHBondContact OD1-N 2.9Å; D61-N64 PolarHBondContact OD1-ND2 3.13Å; D61-N64 WeakPolarHBondContact OD2-CB 3.3Å; D61-N64 PolarHBondContact OD2-ND2 3.05Å; D61-N64 VanDerWaalsContact OD2-ND2 3.07Å; N64-S66 PolarHBondContact O-N 3.28Å; N64-S66 VanDerWaalsContact O-N 3.14Å
65F95.3Very high94.4Very high74 Ų7469.3 Ų69.333%0.32536%0.363SS..  trans-54.6119.8-175.9179.3-104.6000113A52 I55 L59 D61 Y67 E70A52-F65 HydrophobicContact CB-CD2 4.3Å; A52-F65 HydrophobicContact CB-CE1 4.49Å; A52-F65 HydrophobicContact CB-CE2 3.86Å; A52-F65 HydrophobicContact CB-CZ 3.96Å; I55-F65 HydrophobicContact CD1-CE2 4.24Å; L59-F65 HydrophobicContact CD1-CD2 3.91Å; L59-F65 HydrophobicContact CD1-CE2 4.29Å; L59-F65 HydrophobicContact CD2-CD2 4.4Å; L59-F65 HydrophobicContact CD2-CE2 4.09Å; D61-F65 WeakPolarHBondContact O-CA 3.32Å; D61-F65 PolarHBondContact O-N 2.94Å; F65-Y67 HydrophobicContact CE1-CD2 4.08Å; F65-Y67 HydrophobicContact CE1-CG 4.49Å; F65-Y67 AromaticContact CZ-CD2 3.82Å; F65-Y67 HydrophobicContact CZ-CD2 3.82Å; F65-Y67 HydrophobicContact CZ-CG 4.41Å; F65-E70 HydrophobicContact CD2-CB 4.37Å; F65-E70 HydrophobicContact CD2-CG 3.9Å; F65-E70 HydrophobicContact CE2-CB 3.84Å; F65-E70 HydrophobicContact CE2-CG 3.89Å
66S95.8Very high94.1Very high51 Ų5174.1 Ų74.136%0.35739%0.385SS..  trans-115.3109.7169.6174.60000109.2N64 L68 E69 E70N64-S66 PolarHBondContact O-N 3.28Å; N64-S66 VanDerWaalsContact O-N 3.14Å; S66-L68 PolarHBondContact O-N 3.49Å; S66-E69 PolarHBondContact O-N 2.66Å; S66-E70 WeakPolarHBondContact O-CB 3.34Å; S66-E70 VanDerWaalsContact O-CG 3.31Å; S66-E70 WeakPolarHBondContact O-CG 3.43Å; S66-E70 PolarHBondContact O-N 3.02Å
67Y95.1Very high94.1Very high48 Ų4875.4 Ų75.419%0.18839%0.392CS..Hα-helixtrans-56.7-40.4-178.4-173.2-92.7000111.9A50 D54 F65 S71A50-Y67 HydrophobicContact CB-CD1 4.33Å; A50-Y67 HydrophobicContact CB-CD2 4.14Å; A50-Y67 HydrophobicContact CB-CE1 3.89Å; A50-Y67 HydrophobicContact CB-CE2 3.69Å; A50-Y67 HydrophobicContact CB-CG 4.46Å; D54-Y67 HydrophobicContact CB-CE2 4.26Å; D54-Y67 PolarHBondContact OD2-OH 3.24Å; F65-Y67 HydrophobicContact CE1-CD2 4.08Å; F65-Y67 HydrophobicContact CE1-CG 4.49Å; F65-Y67 AromaticContact CZ-CD2 3.82Å; F65-Y67 HydrophobicContact CZ-CD2 3.82Å; F65-Y67 HydrophobicContact CZ-CG 4.41Å; Y67-S71 WeakPolarHBondContact O-CB 3.42Å; Y67-S71 PolarHBondContact O-N 2.83Å; Y67-S71 PolarHBondContact O-OG 2.9Å
68L92.3Very high94.1Very high48 Ų4875.4 Ų75.425%0.25139%0.392SS..Hα-helixtrans-59.6-49.7179.7178.472.3000112.2S66 S71 K72 N122 F126S66-L68 PolarHBondContact O-N 3.49Å; L68-S71 PolarHBondContact O-OG 3.29Å; L68-K72 WeakPolarHBondContact O-CB 3.35Å; L68-K72 PolarHBondContact O-N 2.98Å; L68-N122 HydrophobicContact CD1-CB 3.8Å; L68-F126 HydrophobicContact CD1-CE2 4.34Å; L68-F126 HydrophobicContact CD1-CZ 4.07Å
69E93Very high94.3Very high93 Ų9370.3 Ų70.344%0.43536%0.362SS..Hα-helixtrans-72.5-44.4-176.7-65.8-60131.100111.5S66 K72 L73S66-E69 PolarHBondContact O-N 2.66Å; E69-K72 PolarHBondContact O-N 3.32Å; E69-L73 PolarHBondContact O-N 2.98Å
70E95.7Very high94.4Very high6 Ų668.1 Ų68.13%0.02835%0.35CS..Hα-helixtrans-69.9-39.8-176.9-68.5-77.9-168.200111.4I55 K60 D61 F65 S66 L73 A74I55-E70 HydrophobicContact CD1-CB 3.43Å; I55-E70 VanDerWaalsContact CD1-CB 3.43Å; K60-E70 WeakPolarHBondContact CA-OE1 3.39Å; K60-E70 WeakPolarHBondContact CB-OE1 3.39Å; K60-E70 VanDerWaalsContact N-CD 3.34Å; K60-E70 PolarHBondContact N-OE1 3.43Å; K60-E70 PolarHBondContact N-OE2 2.8Å; D61-E70 PolarHBondContact N-OE1 2.88Å; F65-E70 HydrophobicContact CD2-CB 4.37Å; F65-E70 HydrophobicContact CD2-CG 3.9Å; F65-E70 HydrophobicContact CE2-CB 3.84Å; F65-E70 HydrophobicContact CE2-CG 3.89Å; S66-E70 WeakPolarHBondContact O-CB 3.34Å; S66-E70 VanDerWaalsContact O-CG 3.31Å; S66-E70 WeakPolarHBondContact O-CG 3.43Å; S66-E70 PolarHBondContact O-N 3.02Å; E70-L73 PolarHBondContact O-N 2.86Å; E70-A74 VanDerWaalsContact O-CB 3.22Å; E70-A74 WeakPolarHBondContact O-CB 3.4Å; E70-A74 PolarHBondContact O-N 2.73Å
71S94.4Very high94.5Very high4 Ų461 Ų613%0.02832%0.321CS..Hα-helixtrans-68.9-36.7176.6640000112.5Y67 L68 A74 W75Y67-S71 WeakPolarHBondContact O-CB 3.42Å; Y67-S71 PolarHBondContact O-N 2.83Å; Y67-S71 PolarHBondContact O-OG 2.9Å; L68-S71 PolarHBondContact O-OG 3.29Å; S71-A74 PolarHBondContact O-N 2.85Å; S71-W75 WeakPolarHBondContact O-CB 3.35Å; S71-W75 PolarHBondContact O-N 3.34Å
72K92.9Very high94.8Very high55 Ų5562.5 Ų62.524%0.23933%0.329CS..Hα-helixtrans-59.4-51.6171.4-179.4-177.8178.6176.50111L68 E69 A74 W75 E76 N122L68-K72 WeakPolarHBondContact O-CB 3.35Å; L68-K72 PolarHBondContact O-N 2.98Å; E69-K72 PolarHBondContact O-N 3.32Å; K72-A74 VanDerWaalsContact C-N 3.3Å; K72-A74 PolarHBondContact O-N 3.4Å; K72-W75 WeakPolarHBondContact O-CB 3.47Å; K72-W75 PolarHBondContact O-N 2.87Å; K72-W75 VanDerWaalsContact O-N 3.15Å; K72-E76 VanDerWaalsContact CE-OE1 3.26Å; K72-E76 WeakPolarHBondContact CE-OE1 3.46Å; K72-E76 WeakPolarHBondContact O-CG 3.2Å; K72-E76 PolarHBondContact O-N 3.01Å; K72-N122 HydrophobicContact CB-CB 4.25Å
73L94.2Very high95Very high39 Ų3961.7 Ų61.720%0.20431%0.314CS..Hα-helixtrans-62-40.1178.8-174.966.1000111.8K60 E69 E70 W75 E76 Q77K60-L73 HydrophobicContact CB-CD2 3.98Å; K60-L73 HydrophobicContact CD-CD2 4.17Å; E69-L73 PolarHBondContact O-N 2.98Å; E70-L73 PolarHBondContact O-N 2.86Å; L73-W75 VanDerWaalsContact C-N 3.33Å; L73-E76 PolarHBondContact O-N 3.05Å; L73-Q77 HydrophobicContact CD1-CG 4.41Å; L73-Q77 VanDerWaalsContact CD1-NE2 3.28Å; L73-Q77 WeakPolarHBondContact O-CB 3.39Å; L73-Q77 VanDerWaalsContact O-CG 3.28Å; L73-Q77 WeakPolarHBondContact O-CG 3.41Å; L73-Q77 PolarHBondContact O-N 2.98Å; L73-Q77 VanDerWaalsContact O-N 3.09Å
74A95.2Very high95.2Very high0 Ų053 Ų530%027%0.274CS..Hα-helixtrans-64.3-38.7176.200000111.5I55 E70 S71 K72 Q77 G78 R79 L80I55-A74 HydrophobicContact CB-CB 4.35Å; I55-A74 HydrophobicContact CD1-CB 4.31Å; I55-A74 HydrophobicContact CG1-CB 3.91Å; I55-A74 HydrophobicContact CG2-CB 3.81Å; E70-A74 VanDerWaalsContact O-CB 3.22Å; E70-A74 WeakPolarHBondContact O-CB 3.4Å; E70-A74 PolarHBondContact O-N 2.73Å; S71-A74 PolarHBondContact O-N 2.85Å; K72-A74 VanDerWaalsContact C-N 3.3Å; K72-A74 PolarHBondContact O-N 3.4Å; A74-Q77 PolarHBondContact O-N 3.43Å; A74-G78 PolarHBondContact O-N 3.21Å; A74-R79 HydrophobicContact CB-CB 4.18Å; A74-R79 PolarHBondContact O-N 3.42Å; A74-L80 HydrophobicContact CB-CD2 3.78Å; A74-L80 HydrophobicContact CB-CG 4.26Å
75W93.6Very high95.3Very high88 Ų8850 Ų5033%0.33326%0.26SS..Hα-helixtrans-63.2-51.1174.317878.7000111.5S71 K72 L73 Q77 G78 L80 T121 G123 F124S71-W75 WeakPolarHBondContact O-CB 3.35Å; S71-W75 PolarHBondContact O-N 3.34Å; K72-W75 WeakPolarHBondContact O-CB 3.47Å; K72-W75 PolarHBondContact O-N 2.87Å; K72-W75 VanDerWaalsContact O-N 3.15Å; L73-W75 VanDerWaalsContact C-N 3.33Å; W75-Q77 PolarHBondContact O-N 2.87Å; W75-Q77 VanDerWaalsContact O-N 3.13Å; W75-G78 PolarHBondContact O-N 3.17Å; W75-L80 HydrophobicContact CB-CD1 3.83Å; W75-L80 HydrophobicContact CB-CG 4.3Å; W75-L80 HydrophobicContact CG-CD1 4.27Å; W75-T121 HydrophobicContact CB-CG2 4.26Å; W75-G123 WeakPolarHBondContact CH2-O 3.31Å; W75-G123 WeakPolarHBondContact CZ2-O 3.22Å; W75-G123 VanDerWaalsContact CZ3-O 3.26Å; W75-G123 WeakPolarHBondContact CZ3-O 3.19Å; W75-F124 HydrophobicContact CD2-CB 4.34Å; W75-F124 HydrophobicContact CG-CB 4.41Å; W75-F124 HydrophobicContact CZ2-CB 4.24Å; W75-F124 HydrophobicContact CZ2-CD2 4.3Å; W75-F124 AromaticContact NE1-CD2 3.68Å; W75-F124 AromaticContact NE1-CG 3.82Å
76E92.4Very high95.4Very high113 Ų11352.9 Ų52.953%0.52827%0.272SS..Hα-helixtrans-56.7-32.4178.9-70.6173.3175.700112.6K72 L73K72-E76 VanDerWaalsContact CE-OE1 3.26Å; K72-E76 WeakPolarHBondContact CE-OE1 3.46Å; K72-E76 WeakPolarHBondContact O-CG 3.2Å; K72-E76 PolarHBondContact O-N 3.01Å; L73-E76 PolarHBondContact O-N 3.05Å
77Q94.9Very high95.5Very high109 Ų10950.6 Ų50.651%0.50926%0.256SS..THydrogen-bonded Turntrans-982.2-177.9-63.6177.9-4.200113.9L73 A74 W75 R79L73-Q77 HydrophobicContact CD1-CG 4.41Å; L73-Q77 VanDerWaalsContact CD1-NE2 3.28Å; L73-Q77 WeakPolarHBondContact O-CB 3.39Å; L73-Q77 VanDerWaalsContact O-CG 3.28Å; L73-Q77 WeakPolarHBondContact O-CG 3.41Å; L73-Q77 PolarHBondContact O-N 2.98Å; L73-Q77 VanDerWaalsContact O-N 3.09Å; A74-Q77 PolarHBondContact O-N 3.43Å; W75-Q77 PolarHBondContact O-N 2.87Å; W75-Q77 VanDerWaalsContact O-N 3.13Å; Q77-R79 VanDerWaalsContact C-N 3.31Å; Q77-R79 HydrophobicContact CB-CG 4.08Å; Q77-R79 PolarHBondContact O-N 3.14Å
78G95Very high95.6Very high63 Ų6348.8 Ų48.865%0.64925%0.249SC*.THydrogen-bonded Turntrans66.229.3-178.700000114.3A74 W75A74-G78 PolarHBondContact O-N 3.21Å; W75-G78 PolarHBondContact O-N 3.17Å
79R97.1Very high95.7Very high44 Ų4449.2 Ų49.217%0.16626%0.256CS..  trans-1034.9-176.5-65.6-170.2-62.4104-1.2114.5K56 D58 A74 Q77K56-R79 HydrophobicContact CB-CB 4.46Å; K56-R79 VanDerWaalsContact CB-O 3.28Å; K56-R79 WeakPolarHBondContact CB-O 3.43Å; K56-R79 WeakPolarHBondContact CG-O 3.17Å; K56-R79 PolarHBondContact N-O 2.8Å; K56-R79 WeakPolarHBondContact O-CD 3.44Å; K56-R79 PolarHBondContact O-NH1 3.14Å; D58-R79 PolarHBondContact O-NH1 3.47Å; A74-R79 HydrophobicContact CB-CB 4.18Å; A74-R79 PolarHBondContact O-N 3.42Å; Q77-R79 VanDerWaalsContact C-N 3.31Å; Q77-R79 HydrophobicContact CB-CG 4.08Å; Q77-R79 PolarHBondContact O-N 3.14Å
80L97.4Very high95.9Very high2 Ų246.3 Ų46.31%0.0124%0.242CC..BIsolated β-bridgetrans-63.3154.4172.8-67.9176.8000112D54 K56 A74 W75 I84 T85 T121D54-L80 CarbonylContact O-C 3.52Å; D54-L80 WeakPolarHBondContact O-CA 3.27Å; K56-L80 VanDerWaalsContact CE-O 3.24Å; K56-L80 WeakPolarHBondContact CE-O 3.19Å; K56-L80 PolarHBondContact NZ-O 3.26Å; A74-L80 HydrophobicContact CB-CD2 3.78Å; A74-L80 HydrophobicContact CB-CG 4.26Å; W75-L80 HydrophobicContact CB-CD1 3.83Å; W75-L80 HydrophobicContact CB-CG 4.3Å; W75-L80 HydrophobicContact CG-CD1 4.27Å; L80-I84 HydrophobicContact CB-CG2 4.42Å; L80-I84 HydrophobicContact CD1-CG2 3.98Å; L80-T85 HydrophobicContact CB-CG2 3.78Å; L80-T121 HydrophobicContact CD1-CG2 4.41Å
81S97.6Very high95.9Very high13 Ų1346.1 Ų46.19%0.09124%0.241CC..  trans-59.2148.7175.767.90000111.8D54 D83 I84 T85 R118D54-S81 PolarHBondContact O-N 3.3Å; S81-D83 VanDerWaalsContact C-N 3.27Å; S81-D83 WeakPolarHBondContact CB-OD1 3.49Å; S81-D83 PolarHBondContact O-N 2.87Å; S81-D83 PolarHBondContact OG-OD1 3.01Å; S81-I84 PolarHBondContact O-N 3.47Å; S81-I84 VanDerWaalsContact O-N 3.16Å; S81-I84 VanDerWaalsContact OG-CD1 3.28Å; S81-I84 WeakPolarHBondContact OG-CD1 3.1Å; S81-I84 WeakPolarHBondContact OG-CG1 3.41Å; S81-T85 PolarHBondContact O-N 3.19Å; S81-T85 VanDerWaalsContact O-N 3.12Å; S81-T85 PolarHBondContact O-OG1 3.42Å; S81-R118 PolarHBondContact OG-NH2 2.99Å
82D97.5Very high95.8Very high94 Ų9449.3 Ų49.350%0.50326%0.26SS..Hα-helixtrans-65.5-29.2-172.7-71.2-32.6000113.5K56 T85 K86K56-D82 IonicContact NZ-OD1 2.76Å; K56-D82 PolarHBondContact NZ-OD1 2.97Å; K56-D82 IonicContact NZ-OD2 3.72Å; D82-T85 PolarHBondContact O-OG1 3.21Å; D82-K86 WeakPolarHBondContact O-CB 3.49Å; D82-K86 VanDerWaalsContact O-CD 3.3Å; D82-K86 WeakPolarHBondContact O-CD 2.96Å; D82-K86 WeakPolarHBondContact O-CG 3.37Å; D82-K86 PolarHBondContact O-N 3.07Å; D82-K86 VanDerWaalsContact O-N 3.16Å
83D97.8Very high95.9Very high55 Ų5550.8 Ų50.829%0.29427%0.268SS..Hα-helixtrans-68.4-38.8175.762.3-38.1000111.3S81 E87 R118S81-D83 VanDerWaalsContact C-N 3.27Å; S81-D83 WeakPolarHBondContact CB-OD1 3.49Å; S81-D83 PolarHBondContact O-N 2.87Å; S81-D83 PolarHBondContact OG-OD1 3.01Å; D83-E87 WeakPolarHBondContact O-CG 3.26Å; D83-E87 PolarHBondContact O-N 3.27Å; D83-R118 IonicContact OD1-NH2 2.56Å; D83-R118 PolarHBondContact OD1-NH2 3.29Å; D83-R118 IonicContact OD2-CZ 2.82Å; D83-R118 VanDerWaalsContact OD2-CZ 3.24Å; D83-R118 IonicContact OD2-NH1 3.84Å; D83-R118 PolarHBondContact OD2-NH1 3.13Å; D83-R118 IonicContact OD2-NH2 2.75Å; D83-R118 PolarHBondContact OD2-NH2 2.99Å
84I97.6Very high96Very high0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-66.2-52.3175.6-67.3173.2000110.4D54 L80 S81 K86 E87 Q88 R118D54-I84 HydrophobicContact CB-CD1 3.72Å; L80-I84 HydrophobicContact CB-CG2 4.42Å; L80-I84 HydrophobicContact CD1-CG2 3.98Å; S81-I84 PolarHBondContact O-N 3.47Å; S81-I84 VanDerWaalsContact O-N 3.16Å; S81-I84 VanDerWaalsContact OG-CD1 3.28Å; S81-I84 WeakPolarHBondContact OG-CD1 3.1Å; S81-I84 WeakPolarHBondContact OG-CG1 3.41Å; I84-K86 VanDerWaalsContact C-N 3.26Å; I84-K86 PolarHBondContact O-N 2.9Å; I84-E87 PolarHBondContact O-N 3.46Å; I84-E87 VanDerWaalsContact O-N 3.07Å; I84-Q88 HydrophobicContact CG2-CG 4.21Å; I84-Q88 WeakPolarHBondContact O-CG 3.09Å; I84-Q88 PolarHBondContact O-N 3.4Å; I84-R118 HydrophobicContact CD1-CB 4.01Å; I84-R118 HydrophobicContact CG1-CB 4.14Å; I84-R118 WeakPolarHBondContact CG2-O 3.41Å
85T96.4Very high96.1Very high51 Ų5151.5 Ų51.531%0.31327%0.273SS..Hα-helixtrans-63.8-31.2-175.957.90000112.8L80 S81 D82 S89L80-T85 HydrophobicContact CB-CG2 3.78Å; S81-T85 PolarHBondContact O-N 3.19Å; S81-T85 VanDerWaalsContact O-N 3.12Å; S81-T85 PolarHBondContact O-OG1 3.42Å; D82-T85 PolarHBondContact O-OG1 3.21Å; T85-S89 PolarHBondContact O-N 2.9Å
86K97.8Very high96.3Very high134 Ų13447.3 Ų47.358%0.58326%0.257SS*.Hα-helixtrans-63.7-46.1171.7-77.2169.4-171.3171.80112.2D82 I84 Q88 S89 K90D82-K86 WeakPolarHBondContact O-CB 3.49Å; D82-K86 VanDerWaalsContact O-CD 3.3Å; D82-K86 WeakPolarHBondContact O-CD 2.96Å; D82-K86 WeakPolarHBondContact O-CG 3.37Å; D82-K86 PolarHBondContact O-N 3.07Å; D82-K86 VanDerWaalsContact O-N 3.16Å; I84-K86 VanDerWaalsContact C-N 3.26Å; I84-K86 PolarHBondContact O-N 2.9Å; K86-Q88 VanDerWaalsContact C-N 3.34Å; K86-S89 WeakPolarHBondContact O-CB 3.28Å; K86-S89 PolarHBondContact O-N 3.39Å; K86-K90 WeakPolarHBondContact O-CG 3.22Å; K86-K90 PolarHBondContact O-N 3.49Å; K86-K90 VanDerWaalsContact O-N 3.13Å
87E98.3Very high96.6Very high3 Ų342 Ų421%0.01423%0.232CC..Hα-helixtrans-66.9-38178-63.7-61.1107.400111.6S39 M44 F46 D83 I84 S89 K90 L91 W115 V119S39-E87 WeakPolarHBondContact CB-OE2 3.42Å; S39-E87 VanDerWaalsContact OG-CD 3.25Å; S39-E87 PolarHBondContact OG-OE1 3.44Å; S39-E87 VanDerWaalsContact OG-OE1 3.13Å; S39-E87 PolarHBondContact OG-OE2 3.5Å; M44-E87 WeakPolarHBondContact CE-OE1 3.46Å; F46-E87 HydrophobicContact CE2-CG 4.33Å; D83-E87 WeakPolarHBondContact O-CG 3.26Å; D83-E87 PolarHBondContact O-N 3.27Å; I84-E87 PolarHBondContact O-N 3.46Å; I84-E87 VanDerWaalsContact O-N 3.07Å; E87-S89 VanDerWaalsContact C-N 3.35Å; E87-S89 PolarHBondContact O-N 3.05Å; E87-K90 PolarHBondContact O-N 3.19Å; E87-K90 VanDerWaalsContact OE1-CE 3.24Å; E87-K90 WeakPolarHBondContact OE1-CE 3.45Å; E87-K90 IonicContact OE1-NZ 2.76Å; E87-K90 PolarHBondContact OE1-NZ 3.24Å; E87-L91 PolarHBondContact O-N 3.1Å; E87-W115 HydrophobicContact CB-CZ2 4.41Å; E87-W115 PolarHBondContact OE2-NE1 2.91Å; E87-V119 HydrophobicContact CB-CB 4.45Å; E87-V119 HydrophobicContact CB-CG1 3.81Å; E87-V119 HydrophobicContact CB-CG2 3.69Å; E87-V119 HydrophobicContact CG-CG2 4.2Å
88Q95.8Very high96.7Very high11 Ų1136.8 Ų36.85%0.05121%0.208CC..Hα-helixtrans-59.7-43.8172.3-69.2-176.9-21.500111.5I84 K86 K90 L91 T92 V119 T121 F124I84-Q88 HydrophobicContact CG2-CG 4.21Å; I84-Q88 WeakPolarHBondContact O-CG 3.09Å; I84-Q88 PolarHBondContact O-N 3.4Å; K86-Q88 VanDerWaalsContact C-N 3.34Å; Q88-K90 VanDerWaalsContact C-N 3.34Å; Q88-K90 PolarHBondContact O-N 3.02Å; Q88-L91 WeakPolarHBondContact O-CB 2.98Å; Q88-L91 PolarHBondContact O-N 3Å; Q88-T92 PolarHBondContact O-N 2.76Å; Q88-T92 PolarHBondContact O-OG1 2.87Å; Q88-T92 VanDerWaalsContact O-OG1 3.05Å; Q88-V119 HydrophobicContact CG-CG1 3.91Å; Q88-V119 PolarHBondContact NE2-O 3.09Å; Q88-T121 PolarHBondContact NE2-OG1 3.44Å; Q88-F124 HydrophobicContact CB-CD1 4.13Å; Q88-F124 HydrophobicContact CB-CE1 3.53Å; Q88-F124 HydrophobicContact CB-CE2 4.25Å; Q88-F124 HydrophobicContact CB-CZ 3.61Å; Q88-F124 HydrophobicContact CG-CD1 3.59Å; Q88-F124 HydrophobicContact CG-CE1 3.41Å; Q88-F124 VanDerWaalsContact CG-CE1 3.41Å; Q88-F124 HydrophobicContact CG-CG 4.36Å; Q88-F124 HydrophobicContact CG-CZ 4.02Å
89S95.5Very high96.9Very high57 Ų5733.9 Ų33.940%0.39918%0.177SC..Hα-helixtrans-58.6-44.8175.4-164.50000111.8T85 K86 E87 L91 T92 E93T85-S89 PolarHBondContact O-N 2.9Å; K86-S89 WeakPolarHBondContact O-CB 3.28Å; K86-S89 PolarHBondContact O-N 3.39Å; E87-S89 VanDerWaalsContact C-N 3.35Å; E87-S89 PolarHBondContact O-N 3.05Å; S89-L91 VanDerWaalsContact C-N 3.31Å; S89-L91 PolarHBondContact O-N 3.31Å; S89-T92 PolarHBondContact O-N 2.63Å; S89-E93 WeakPolarHBondContact O-CB 3.48Å; S89-E93 VanDerWaalsContact O-CG 3.29Å; S89-E93 WeakPolarHBondContact O-CG 3.34Å; S89-E93 PolarHBondContact O-N 3.49Å; S89-E93 PolarHBondContact OG-OE1 2.93Å
90K97.4Very high97Very high32 Ų3231.9 Ų31.914%0.13917%0.169CC..Hα-helixtrans-61.2-41177.1-63.3175.6-168.3179.40111.7L6 E37 S39 K86 E87 Q88 E93 A94L6-K90 HydrophobicContact CD1-CB 4.07Å; L6-K90 HydrophobicContact CD1-CD 4.02Å; L6-K90 HydrophobicContact CD2-CB 3.92Å; E37-K90 HydrophobicContact CG-CD 4.23Å; E37-K90 WeakPolarHBondContact OE1-CD 3.43Å; E37-K90 WeakPolarHBondContact OE1-CE 3.26Å; E37-K90 IonicContact OE1-NZ 3.89Å; S39-K90 PolarHBondContact OG-NZ 3.48Å; K86-K90 WeakPolarHBondContact O-CG 3.22Å; K86-K90 PolarHBondContact O-N 3.49Å; K86-K90 VanDerWaalsContact O-N 3.13Å; E87-K90 PolarHBondContact O-N 3.19Å; E87-K90 VanDerWaalsContact OE1-CE 3.24Å; E87-K90 WeakPolarHBondContact OE1-CE 3.45Å; E87-K90 IonicContact OE1-NZ 2.76Å; E87-K90 PolarHBondContact OE1-NZ 3.24Å; Q88-K90 VanDerWaalsContact C-N 3.34Å; Q88-K90 PolarHBondContact O-N 3.02Å; K90-E93 PolarHBondContact O-N 2.9Å; K90-A94 WeakPolarHBondContact O-CB 3.44Å; K90-A94 PolarHBondContact O-N 2.82Å
91L95Very high97.1Very high1 Ų131.9 Ų31.91%0.00517%0.17CC..Hα-helixtrans-65.1-45.4176.1-75.3169.6000112.3L6 E87 Q88 S89 E93 A94 V97 W115 V119 L120 F124 K140 F181L6-L91 HydrophobicContact CD2-CD2 3.75Å; L6-L91 HydrophobicContact CD2-CG 4.04Å; E87-L91 PolarHBondContact O-N 3.1Å; Q88-L91 WeakPolarHBondContact O-CB 2.98Å; Q88-L91 PolarHBondContact O-N 3Å; S89-L91 VanDerWaalsContact C-N 3.31Å; S89-L91 PolarHBondContact O-N 3.31Å; L91-E93 PolarHBondContact O-N 3.31Å; L91-A94 PolarHBondContact O-N 2.99Å; L91-V97 HydrophobicContact CD2-CG1 4.26Å; L91-V97 HydrophobicContact CD2-CG2 3.87Å; L91-W115 HydrophobicContact CD1-CH2 3.62Å; L91-W115 HydrophobicContact CD1-CZ2 4Å; L91-W115 HydrophobicContact CD2-CH2 3.84Å; L91-W115 HydrophobicContact CD2-CZ2 4.4Å; L91-W115 HydrophobicContact CG-CH2 4.01Å; L91-W115 HydrophobicContact CG-CZ2 4.23Å; L91-V119 HydrophobicContact CD1-CG1 3.5Å; L91-L120 HydrophobicContact CD1-CD2 4.25Å; L91-F124 HydrophobicContact CD1-CE1 4.41Å; L91-K140 VanDerWaalsContact O-CE 3.25Å; L91-K140 WeakPolarHBondContact O-CE 3.33Å; L91-K140 PolarHBondContact O-NZ 2.88Å; L91-F181 HydrophobicContact CD2-CZ 4.32Å
92T92.3Very high97.1Very high71 Ų7131.7 Ų31.744%0.43617%0.168SC..Hα-helixtrans-59.4-37.2176.7-580000111.3Q88 S89 F124 K140Q88-T92 PolarHBondContact O-N 2.76Å; Q88-T92 PolarHBondContact O-OG1 2.87Å; Q88-T92 VanDerWaalsContact O-OG1 3.05Å; S89-T92 PolarHBondContact O-N 2.63Å; T92-F124 WeakPolarHBondContact OG1-CE2 3.48Å; T92-F124 WeakPolarHBondContact OG1-CZ 3.42Å; T92-K140 PolarHBondContact O-NZ 3.03Å
93E94.3Very high97.2Very high87 Ų8728.3 Ų28.341%0.40715%0.149SC..Hα-helixtrans-79.8-27.9-179.4-71.8179.2-146.500114K4 S89 K90 L91K4-E93 WeakPolarHBondContact CB-O 3.45Å; K4-E93 HydrophobicContact CD-CB 3.83Å; K4-E93 VanDerWaalsContact CD-O 3.3Å; K4-E93 WeakPolarHBondContact CD-O 3.3Å; K4-E93 IonicContact NZ-OE2 2.63Å; K4-E93 PolarHBondContact NZ-OE2 3.16Å; S89-E93 WeakPolarHBondContact O-CB 3.48Å; S89-E93 VanDerWaalsContact O-CG 3.29Å; S89-E93 WeakPolarHBondContact O-CG 3.34Å; S89-E93 PolarHBondContact O-N 3.49Å; S89-E93 PolarHBondContact OG-OE1 2.93Å; K90-E93 PolarHBondContact O-N 2.9Å; L91-E93 PolarHBondContact O-N 3.31Å
94A96.9Very high97.2Very high2 Ų230.3 Ų30.32%0.01715%0.153CC..  trans-71.4138.3-175.900000112.7L6 K90 L91 V97 K140L6-A94 HydrophobicContact CB-CB 3.81Å; K90-A94 WeakPolarHBondContact O-CB 3.44Å; K90-A94 PolarHBondContact O-N 2.82Å; L91-A94 PolarHBondContact O-N 2.99Å; A94-V97 HydrophobicContact CB-CG2 4.1Å; A94-K140 VanDerWaalsContact O-CD 3.31Å; A94-K140 WeakPolarHBondContact O-CD 3.4Å; A94-K140 WeakPolarHBondContact O-CG 3.41Å; A94-K140 PolarHBondContact O-NZ 3.38Å
95D96.6Very high97.2Very high52 Ų5242.3 Ų42.328%0.27820%0.199SC..SBendtrans-86.7-31.2165.1-63.7-93.5000111.4K3 K4 K141K3-D95 WeakPolarHBondContact CA-OD2 3.24Å; K3-D95 HydrophobicContact CD-CB 3.67Å; K3-D95 WeakPolarHBondContact CD-OD1 3.2Å; K3-D95 WeakPolarHBondContact CD-OD2 3.27Å; K3-D95 IonicContact NZ-OD1 3.03Å; K3-D95 PolarHBondContact NZ-OD1 3.4Å; K4-D95 PolarHBondContact N-OD2 2.85Å; K4-D95 PolarHBondContact O-N 3.05Å; D95-K141 PolarHBondContact O-N 3.38Å
96L98Very high97.3Very high0 Ų044.7 Ų44.70%021%0.205CC..EExtended strand (participates in β ladder)trans-133.1134.3179.8171.665.8000110.4K4 V5 L6 I98 K141 L184 L214 L215K4-L96 PolarHBondContact O-N 3.47Å; V5-L96 CarbonylContact C-O 3.57Å; V5-L96 WeakPolarHBondContact CA-O 3.38Å; V5-L96 HydrophobicContact CG1-CB 4.38Å; V5-L96 HydrophobicContact CG1-CD2 4.18Å; V5-L96 HydrophobicContact CG1-CG 4.22Å; V5-L96 HydrophobicContact CG2-CB 4.28Å; V5-L96 HydrophobicContact CG2-CD2 4.33Å; L6-L96 PolarHBondContact N-O 3.26Å; L96-I98 HydrophobicContact CD1-CG1 4.46Å; L96-I98 HydrophobicContact CD2-CD1 4.16Å; L96-I98 HydrophobicContact CD2-CG1 4.22Å; L96-I98 HydrophobicContact CG-CG1 4.16Å; L96-K141 CarbonylContact C-O 3.53Å; L96-K141 VanDerWaalsContact CA-O 3.31Å; L96-K141 WeakPolarHBondContact CA-O 3.29Å; L96-K141 HydrophobicContact CD1-CB 3.83Å; L96-L184 HydrophobicContact CD1-CD1 4Å; L96-L214 HydrophobicContact CD2-CD2 3.82Å; L96-L214 HydrophobicContact CD2-CG 4.24Å; L96-L215 HydrophobicContact CB-CD2 4.15Å; L96-L215 HydrophobicContact CD2-CD2 4.01Å
97V98.6Very high97.3Very high0 Ų039.1 Ų39.10%019%0.186CC..EExtended strand (participates in β ladder)trans-117.5123.1173.9-169.50000110.4L6 V8 L91 A94 F99 K141 A142 M143 F181L6-V97 HydrophobicContact CB-CG1 4.43Å; L6-V97 HydrophobicContact CB-CG2 4.45Å; L6-V97 HydrophobicContact CD2-CG1 4.31Å; L6-V97 HydrophobicContact CG-CG1 4.38Å; L6-V97 CarbonylContact O-C 3.56Å; L6-V97 VanDerWaalsContact O-CA 3.28Å; L6-V97 WeakPolarHBondContact O-CA 3.38Å; V8-V97 HydrophobicContact CG2-CG1 4.25Å; L91-V97 HydrophobicContact CD2-CG1 4.26Å; L91-V97 HydrophobicContact CD2-CG2 3.87Å; A94-V97 HydrophobicContact CB-CG2 4.1Å; V97-F99 HydrophobicContact CB-CE2 4.24Å; V97-F99 HydrophobicContact CB-CZ 4.45Å; V97-F99 HydrophobicContact CG1-CD2 4.33Å; V97-F99 HydrophobicContact CG1-CE1 4.08Å; V97-F99 HydrophobicContact CG1-CE2 3.65Å; V97-F99 HydrophobicContact CG1-CZ 3.51Å; V97-K141 PolarHBondContact N-O 3.49Å; V97-A142 HydrophobicContact CB-CB 4.5Å; V97-A142 CarbonylContact O-C 3.37Å; V97-A142 VanDerWaalsContact O-CA 3.28Å; V97-A142 WeakPolarHBondContact O-CA 3.47Å; V97-M143 PolarHBondContact O-N 3.04Å; V97-F181 HydrophobicContact CB-CE1 4.49Å; V97-F181 HydrophobicContact CG2-CE1 3.86Å; V97-F181 HydrophobicContact CG2-CZ 4.07Å
98I98.9Very high97.3Very high1 Ų139.9 Ų39.91%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-110.8121.6175.6-57.7174.9000109.1V5 L6 I7 V8 L29 L96 M143 W207 L214V5-I98 HydrophobicContact CG1-CD1 4.36Å; L6-I98 PolarHBondContact O-N 2.96Å; I7-I98 CarbonylContact C-O 3.56Å; I7-I98 WeakPolarHBondContact CA-O 3.36Å; I7-I98 HydrophobicContact CG1-CB 4.32Å; I7-I98 HydrophobicContact CG2-CB 4.46Å; V8-I98 PolarHBondContact N-O 3.15Å; L29-I98 HydrophobicContact CD1-CD1 3.89Å; L96-I98 HydrophobicContact CD1-CG1 4.46Å; L96-I98 HydrophobicContact CD2-CD1 4.16Å; L96-I98 HydrophobicContact CD2-CG1 4.22Å; L96-I98 HydrophobicContact CG-CG1 4.16Å; I98-M143 HydrophobicContact CD1-CE 4.43Å; I98-M143 HydrophobicContact CG1-CE 4.26Å; I98-M143 HydrophobicContact CG2-CE 3.9Å; I98-W207 HydrophobicContact CD1-CH2 4.48Å; I98-L214 HydrophobicContact CD1-CD2 3.97Å
99F98.9Very high97.4Very high2 Ų239.4 Ų39.41%0.00919%0.188CC..EExtended strand (participates in β ladder)trans-95.1106.6173.2-61.6-81.8000109.4V8 V97 F101 L112 W115 F116 A142 M143 L144 S145 L176V8-F99 HydrophobicContact CB-CD1 3.72Å; V8-F99 HydrophobicContact CB-CE1 3.95Å; V8-F99 HydrophobicContact CG1-CD1 4.22Å; V8-F99 HydrophobicContact CG1-CE1 4.41Å; V8-F99 HydrophobicContact CG2-CD1 4.11Å; V8-F99 HydrophobicContact CG2-CE1 3.83Å; V8-F99 CarbonylContact O-C 3.58Å; V8-F99 WeakPolarHBondContact O-CA 3.39Å; V97-F99 HydrophobicContact CB-CE2 4.24Å; V97-F99 HydrophobicContact CB-CZ 4.45Å; V97-F99 HydrophobicContact CG1-CD2 4.33Å; V97-F99 HydrophobicContact CG1-CE1 4.08Å; V97-F99 HydrophobicContact CG1-CE2 3.65Å; V97-F99 HydrophobicContact CG1-CZ 3.51Å; F99-F101 HydrophobicContact CB-CD1 4.1Å; F99-F101 HydrophobicContact CB-CE1 4.03Å; F99-F101 WeakPolarHBondContact O-CD1 3.45Å; F99-L112 HydrophobicContact CD1-CD1 3.95Å; F99-L112 HydrophobicContact CE1-CD1 4.46Å; F99-W115 HydrophobicContact CE1-CE3 4.26Å; F99-W115 HydrophobicContact CE1-CH2 4.08Å; F99-W115 AromaticContact CE1-CZ3 3.66Å; F99-W115 HydrophobicContact CE1-CZ3 3.66Å; F99-W115 HydrophobicContact CZ-CH2 4.43Å; F99-W115 HydrophobicContact CZ-CZ3 4.14Å; F99-F116 AromaticContact CD1-CE1 3.97Å; F99-F116 HydrophobicContact CD1-CE1 3.97Å; F99-F116 AromaticContact CD1-CZ 3.8Å; F99-F116 HydrophobicContact CD1-CZ 3.8Å; F99-F116 HydrophobicContact CE1-CD1 4.48Å; F99-F116 AromaticContact CE1-CE1 3.39Å; F99-F116 HydrophobicContact CE1-CE1 3.39Å; F99-F116 AromaticContact CE1-CZ 3.73Å; F99-F116 HydrophobicContact CE1-CZ 3.73Å; F99-F116 HydrophobicContact CE2-CE1 4.43Å; F99-F116 HydrophobicContact CG-CZ 4.32Å; F99-F116 AromaticContact CZ-CE1 3.65Å; F99-F116 HydrophobicContact CZ-CE1 3.65Å; F99-F116 HydrophobicContact CZ-CZ 4.18Å; F99-A142 HydrophobicContact CE2-CB 4.31Å; F99-M143 PolarHBondContact N-O 3.06Å; F99-L144 HydrophobicContact CB-CD2 4.08Å; F99-L144 HydrophobicContact CD2-CD2 4.15Å; F99-L144 HydrophobicContact CG-CD2 4.37Å; F99-S145 CarbonylContact O-C 3.43Å; F99-S145 PolarHBondContact O-N 2.96Å; F99-L176 HydrophobicContact CD2-CD2 4.23Å; F99-L176 HydrophobicContact CE2-CD1 4.48Å; F99-L176 HydrophobicContact CE2-CD2 3.51Å; F99-L176 HydrophobicContact CZ-CD2 4.04Å
100Q98.9Very high97.6Very high1 Ų139.4 Ų39.41%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-99.8115.7177.6-179.273.466.500111.7I7 V8 Y9 A10 N18 A21 K22 S145I7-Q100 HydrophobicContact CG2-CB 4.5Å; V8-Q100 PolarHBondContact O-N 3.02Å; Y9-Q100 WeakPolarHBondContact CA-O 3.13Å; Y9-Q100 HydrophobicContact CD2-CB 4.04Å; Y9-Q100 HydrophobicContact CD2-CG 3.81Å; Y9-Q100 HydrophobicContact CE2-CG 4.29Å; A10-Q100 PolarHBondContact N-O 2.86Å; N18-Q100 HydrophobicContact CB-CG 4.27Å; N18-Q100 PolarHBondContact OD1-NE2 3.26Å; A21-Q100 VanDerWaalsContact CB-OE1 3.27Å; K22-Q100 HydrophobicContact CB-CB 4.36Å; K22-Q100 HydrophobicContact CB-CG 4.05Å; Q100-S145 VanDerWaalsContact CA-O 3.23Å; Q100-S145 WeakPolarHBondContact CA-O 3.45Å; Q100-S145 PolarHBondContact NE2-O 3.14Å; Q100-S145 VanDerWaalsContact NE2-O 3.12Å; Q100-S145 PolarHBondContact OE1-OG 3.12Å
101F98.9Very high97.6Very high3 Ų339 Ų391%0.01320%0.196CC..EExtended strand (participates in β ladder)trans-155.6157.6-177.459.8-84.8000114.2A10 N18 F99 V108 P109 L112 L144 S145 F146 T147A10-F101 HydrophobicContact CB-CB 4.11Å; N18-F101 PolarHBondContact OD1-O 2.79Å; N18-F101 VanDerWaalsContact OD1-O 3.08Å; F99-F101 HydrophobicContact CB-CD1 4.1Å; F99-F101 HydrophobicContact CB-CE1 4.03Å; F99-F101 WeakPolarHBondContact O-CD1 3.45Å; F101-V108 HydrophobicContact CD2-CB 4.43Å; F101-V108 HydrophobicContact CD2-CG1 4.17Å; F101-V108 HydrophobicContact CE1-CG1 4.21Å; F101-V108 HydrophobicContact CE2-CB 4.42Å; F101-V108 HydrophobicContact CE2-CG1 3.75Å; F101-V108 HydrophobicContact CZ-CG1 3.78Å; F101-P109 HydrophobicContact CB-CG 3.97Å; F101-L112 HydrophobicContact CB-CD2 3.96Å; F101-L112 HydrophobicContact CD1-CD2 3.56Å; F101-L112 HydrophobicContact CE1-CD2 4.23Å; F101-L112 HydrophobicContact CG-CD2 3.81Å; F101-L144 HydrophobicContact CE1-CB 4.3Å; F101-L144 HydrophobicContact CE1-CD2 4Å; F101-L144 HydrophobicContact CZ-CB 4.43Å; F101-L144 HydrophobicContact CZ-CD2 4.31Å; F101-S145 PolarHBondContact N-O 2.86Å; F101-S145 VanDerWaalsContact N-O 3.12Å; F101-F146 HydrophobicContact CD1-CB 4.35Å; F101-F146 HydrophobicContact CD2-CB 3.87Å; F101-F146 HydrophobicContact CE1-CB 4.11Å; F101-F146 HydrophobicContact CE2-CB 3.62Å; F101-F146 HydrophobicContact CE2-CD1 4.44Å; F101-F146 HydrophobicContact CE2-CG 4.05Å; F101-F146 HydrophobicContact CG-CB 4.22Å; F101-F146 HydrophobicContact CZ-CB 3.75Å; F101-F146 AromaticContact CZ-CD1 3.98Å; F101-F146 HydrophobicContact CZ-CD1 3.98Å; F101-F146 HydrophobicContact CZ-CG 4.04Å; F101-F146 WeakPolarHBondContact O-CA 3.37Å; F101-F146 WeakPolarHBondContact O-CB 3.42Å; F101-T147 PolarHBondContact O-N 3.08Å; F101-T147 VanDerWaalsContact O-N 3.14Å
102P98.6Very high97.8Very high8 Ų838.9 Ų38.95%0.05220%0.196CC..EExtended strand (participates in β ladder)trans-76.9135.1161.134.5-35.1000110.3A10 Y104 P109 T147A10-P102 WeakPolarHBondContact O-CD 3.33Å; P102-Y104 HydrophobicContact CB-CD1 4.16Å; P102-Y104 HydrophobicContact CB-CE1 3.67Å; P102-Y104 HydrophobicContact CG-CD1 4.2Å; P102-Y104 HydrophobicContact CG-CE1 3.63Å; P102-Y104 HydrophobicContact CG-CE2 4.11Å; P102-Y104 PolarHBondContact O-N 2.96Å; P102-P109 HydrophobicContact CG-CG 4.07Å; P102-P109 WeakPolarHBondContact O-CD 3.31Å; P102-T147 WeakPolarHBondContact CA-OG1 3.41Å
103M98.6Very high98.1Very high24 Ų2439.7 Ų39.712%0.11819%0.193CC..  trans-65.1118.4169.9175.8-177.1-81.200109.4G107 F146 T147 T148 F155 I164 T167M103-G107 WeakPolarHBondContact CA-O 3.31Å; M103-F146 HydrophobicContact CB-CD2 4.1Å; M103-F146 HydrophobicContact CE-CD2 4.12Å; M103-F146 HydrophobicContact CE-CE2 3.54Å; M103-F146 HydrophobicContact CE-CZ 4.14Å; M103-T147 PolarHBondContact N-O 2.74Å; M103-T148 HydrophobicContact SD-CG2 4.32Å; M103-F155 HydrophobicContact SD-CE1 4.47Å; M103-F155 HydrophobicContact SD-CZ 4.03Å; M103-I164 HydrophobicContact CE-CD1 4.01Å; M103-T167 HydrophobicContact CE-CG2 3.96Å
104Y98.1Very high98.3Very high96 Ų9635.7 Ų35.738%0.37618%0.175SC..BIsolated β-bridgetrans-116.5126.8173.5-72.8-10.5000109P102 F106 G107 P109P102-Y104 HydrophobicContact CB-CD1 4.16Å; P102-Y104 HydrophobicContact CB-CE1 3.67Å; P102-Y104 HydrophobicContact CG-CD1 4.2Å; P102-Y104 HydrophobicContact CG-CE1 3.63Å; P102-Y104 HydrophobicContact CG-CE2 4.11Å; P102-Y104 PolarHBondContact O-N 2.96Å; Y104-F106 VanDerWaalsContact C-N 3.31Å; Y104-F106 PolarHBondContact O-N 3.32Å; Y104-G107 PolarHBondContact N-O 3.39Å; Y104-G107 VanDerWaalsContact N-O 3.08Å; Y104-G107 CarbonylContact O-C 3.58Å; Y104-G107 PolarHBondContact O-N 2.87Å; Y104-P109 HydrophobicContact CD2-CB 4.13Å; Y104-P109 HydrophobicContact CD2-CG 4.18Å; Y104-P109 HydrophobicContact CE2-CB 4.5Å; Y104-P109 HydrophobicContact CE2-CG 4.5Å
105W97.6Very high98.4Very high252 Ų25235.6 Ų35.696%0.95518%0.175SC*.THydrogen-bonded Turntrans48.549.5179.4-62.6108.1000113.5G107W105-G107 PolarHBondContact O-N 3.34Å; W105-G107 VanDerWaalsContact O-N 3.08Å
106F97.6Very high98.4Very high101 Ų10133.4 Ų33.444%0.44316%0.163SC..THydrogen-bonded Turntrans59.718.9179.9-59.6-95.7000114.4Y104 F155 N161 T167Y104-F106 VanDerWaalsContact C-N 3.31Å; Y104-F106 PolarHBondContact O-N 3.32Å; F106-F155 HydrophobicContact CD1-CE1 4.06Å; F106-F155 AromaticContact CE1-CE1 3.82Å; F106-F155 HydrophobicContact CE1-CE1 3.82Å; F106-F155 HydrophobicContact CE1-CZ 4.21Å; F106-N161 HydrophobicContact CE1-CB 3.94Å; F106-N161 HydrophobicContact CZ-CB 4.43Å; F106-T167 HydrophobicContact CB-CG2 3.93Å; F106-T167 HydrophobicContact CD1-CG2 4.22Å; F106-T167 VanDerWaalsContact O-CG2 3.25Å; F106-T167 WeakPolarHBondContact O-CG2 3.38Å
107G97.8Very high98.4Very high17 Ų1736.8 Ų36.818%0.17518%0.181CC..BIsolated β-bridgetrans-146.6-154.6177.200000112.3M103 Y104 W105M103-G107 WeakPolarHBondContact CA-O 3.31Å; Y104-G107 PolarHBondContact N-O 3.39Å; Y104-G107 VanDerWaalsContact N-O 3.08Å; Y104-G107 CarbonylContact O-C 3.58Å; Y104-G107 PolarHBondContact O-N 2.87Å; W105-G107 PolarHBondContact O-N 3.34Å; W105-G107 VanDerWaalsContact O-N 3.08Å
108V98.6Very high98.3Very high20 Ų2036.9 Ų36.912%0.12118%0.181CC..  trans-91156.8179.8-60.60000111.7F101 L112 K113 F116 L171F101-V108 HydrophobicContact CD2-CB 4.43Å; F101-V108 HydrophobicContact CD2-CG1 4.17Å; F101-V108 HydrophobicContact CE1-CG1 4.21Å; F101-V108 HydrophobicContact CE2-CB 4.42Å; F101-V108 HydrophobicContact CE2-CG1 3.75Å; F101-V108 HydrophobicContact CZ-CG1 3.78Å; V108-L112 HydrophobicContact CB-CB 4.21Å; V108-L112 HydrophobicContact CB-CD2 3.93Å; V108-L112 HydrophobicContact CB-CG 4.08Å; V108-L112 HydrophobicContact CG1-CD2 3.95Å; V108-L112 HydrophobicContact CG1-CG 4.39Å; V108-L112 HydrophobicContact CG2-CB 4.4Å; V108-L112 HydrophobicContact CG2-CG 4.36Å; V108-K113 HydrophobicContact CG2-CB 3.78Å; V108-F116 HydrophobicContact CG1-CE2 4.29Å; V108-F116 HydrophobicContact CG2-CE2 4.32Å; V108-L171 HydrophobicContact CG1-CD1 3.87Å; V108-L171 HydrophobicContact CG1-CD2 4Å
109P98.7Very high98.2Very high0 Ų036.9 Ų36.90%018%0.181CC..  trans-55.4146.3169.9-25.435.1000111.7A10 F101 P102 Y104 I111 L112 K113A10-P109 HydrophobicContact CB-CB 4.46Å; A10-P109 HydrophobicContact CB-CG 4.17Å; F101-P109 HydrophobicContact CB-CG 3.97Å; P102-P109 HydrophobicContact CG-CG 4.07Å; P102-P109 WeakPolarHBondContact O-CD 3.31Å; Y104-P109 HydrophobicContact CD2-CB 4.13Å; Y104-P109 HydrophobicContact CD2-CG 4.18Å; Y104-P109 HydrophobicContact CE2-CB 4.5Å; Y104-P109 HydrophobicContact CE2-CG 4.5Å; P109-I111 HydrophobicContact CB-CG2 4.29Å; P109-I111 PolarHBondContact O-N 3.08Å; P109-I111 VanDerWaalsContact O-N 3.09Å; P109-L112 WeakPolarHBondContact O-CA 3.49Å; P109-L112 WeakPolarHBondContact O-CB 3.34Å; P109-L112 PolarHBondContact O-N 3.45Å; P109-K113 PolarHBondContact O-N 2.9Å
110G98.6Very high97.9Very high57 Ų5737.6 Ų37.659%0.58819%0.185SC*.Hα-helixtrans-55.3-32.9-178.200000114K113 G114G110-K113 PolarHBondContact O-N 3.46Å; G110-G114 PolarHBondContact O-N 3.17Å
111I98.8Very high97.3Very high23 Ų2337.7 Ų37.712%0.11819%0.186CC..Hα-helixtrans-67.2-35.4175.3-162.7171.3000112.9A10 L41 Y42 F46 A48 P109 W115A10-I111 HydrophobicContact CB-CG2 4.16Å; L41-I111 HydrophobicContact CB-CD1 3.79Å; L41-I111 HydrophobicContact CB-CG1 3.99Å; L41-I111 HydrophobicContact CB-CG2 4.32Å; L41-I111 HydrophobicContact CD1-CG1 4.44Å; L41-I111 HydrophobicContact CD1-CG2 4.26Å; L41-I111 WeakPolarHBondContact O-CD1 3.41Å; Y42-I111 HydrophobicContact CD1-CD1 4.43Å; Y42-I111 HydrophobicContact CD2-CD1 4.48Å; Y42-I111 HydrophobicContact CD2-CG2 4.21Å; Y42-I111 HydrophobicContact CE2-CG2 3.56Å; Y42-I111 HydrophobicContact CG-CD1 4.4Å; F46-I111 HydrophobicContact CB-CD1 4.27Å; F46-I111 HydrophobicContact CB-CG1 4.39Å; F46-I111 HydrophobicContact CD1-CG1 4.35Å; A48-I111 HydrophobicContact CB-CG1 4.46Å; P109-I111 HydrophobicContact CB-CG2 4.29Å; P109-I111 PolarHBondContact O-N 3.08Å; P109-I111 VanDerWaalsContact O-N 3.09Å; I111-W115 PolarHBondContact O-N 2.96Å
112L98.8Very high96.4Very high0 Ų037.8 Ų37.80%019%0.186CC..Hα-helixtrans-76-37.7176178.454.7000111V8 A10 L41 F99 F101 V108 P109 G114 W115 F116V8-L112 HydrophobicContact CG1-CD1 3.75Å; A10-L112 HydrophobicContact CB-CB 3.86Å; A10-L112 HydrophobicContact CB-CD2 4.28Å; L41-L112 HydrophobicContact CD1-CB 4.11Å; L41-L112 HydrophobicContact CD1-CD1 4.04Å; F99-L112 HydrophobicContact CD1-CD1 3.95Å; F99-L112 HydrophobicContact CE1-CD1 4.46Å; F101-L112 HydrophobicContact CB-CD2 3.96Å; F101-L112 HydrophobicContact CD1-CD2 3.56Å; F101-L112 HydrophobicContact CE1-CD2 4.23Å; F101-L112 HydrophobicContact CG-CD2 3.81Å; V108-L112 HydrophobicContact CB-CB 4.21Å; V108-L112 HydrophobicContact CB-CD2 3.93Å; V108-L112 HydrophobicContact CB-CG 4.08Å; V108-L112 HydrophobicContact CG1-CD2 3.95Å; V108-L112 HydrophobicContact CG1-CG 4.39Å; V108-L112 HydrophobicContact CG2-CB 4.4Å; V108-L112 HydrophobicContact CG2-CG 4.36Å; P109-L112 WeakPolarHBondContact O-CA 3.49Å; P109-L112 WeakPolarHBondContact O-CB 3.34Å; P109-L112 PolarHBondContact O-N 3.45Å; L112-G114 VanDerWaalsContact C-N 3.3Å; L112-G114 PolarHBondContact O-N 2.91Å; L112-W115 HydrophobicContact CD1-CB 4.47Å; L112-W115 HydrophobicContact CD1-CE3 4.45Å; L112-W115 WeakPolarHBondContact O-CB 3.49Å; L112-W115 PolarHBondContact O-N 3.01Å; L112-F116 HydrophobicContact CD1-CE2 4.06Å; L112-F116 HydrophobicContact CD1-CZ 4.02Å; L112-F116 HydrophobicContact CD2-CE2 4.46Å; L112-F116 HydrophobicContact CG-CD2 4.45Å; L112-F116 HydrophobicContact CG-CE2 3.83Å; L112-F116 HydrophobicContact CG-CZ 4.21Å; L112-F116 VanDerWaalsContact O-CD2 3.3Å; L112-F116 WeakPolarHBondContact O-CD2 3.41Å; L112-F116 PolarHBondContact O-N 3.44Å
113K98.6Very high95.1Very high87 Ų8738.5 Ų38.538%0.37820%0.195SC..Hα-helixtrans-59.5-44.7171-177.854.7171.567.90111.4V108 P109 G110 W115 F116 D117V108-K113 HydrophobicContact CG2-CB 3.78Å; P109-K113 PolarHBondContact O-N 2.9Å; G110-K113 PolarHBondContact O-N 3.46Å; K113-W115 VanDerWaalsContact C-N 3.29Å; K113-W115 PolarHBondContact O-N 3.17Å; K113-F116 WeakPolarHBondContact O-CB 3.33Å; K113-F116 PolarHBondContact O-N 2.96Å; K113-F116 VanDerWaalsContact O-N 3.16Å; K113-D117 IonicContact NZ-OD1 3.83Å; K113-D117 PolarHBondContact NZ-OD1 2.93Å; K113-D117 IonicContact NZ-OD2 3.54Å; K113-D117 PolarHBondContact NZ-OD2 2.86Å; K113-D117 VanDerWaalsContact O-CG 3.3Å; K113-D117 PolarHBondContact O-N 2.86Å
114G98.4Very high94Very high3 Ų338 Ų383%0.03119%0.192CC..Hα-helixtrans-63.7-32.8175.400000113.9A48 G110 L112 D117 R118A48-G114 WeakPolarHBondContact O-CA 3.25Å; G110-G114 PolarHBondContact O-N 3.17Å; L112-G114 VanDerWaalsContact C-N 3.3Å; L112-G114 PolarHBondContact O-N 2.91Å; G114-D117 PolarHBondContact O-N 2.84Å; G114-R118 WeakPolarHBondContact O-CB 3.44Å; G114-R118 WeakPolarHBondContact O-CG 3.16Å; G114-R118 PolarHBondContact O-N 3.37Å
115W98.6Very high92.5Very high0 Ų033.5 Ų33.50%017%0.174CC..Hα-helixtrans-63.2-44.9171.1-176.297.7000111.1V8 L41 F46 E87 L91 F99 I111 L112 K113 D117 R118 V119V8-W115 HydrophobicContact CG1-CD2 4.2Å; V8-W115 HydrophobicContact CG1-CG 4.46Å; V8-W115 HydrophobicContact CG2-CH2 4.08Å; V8-W115 HydrophobicContact CG2-CZ2 3.85Å; L41-W115 HydrophobicContact CD1-CB 3.98Å; L41-W115 HydrophobicContact CD1-CG 4.32Å; L41-W115 HydrophobicContact CD2-CB 4.39Å; L41-W115 VanDerWaalsContact CD2-CD1 3.41Å; L41-W115 HydrophobicContact CD2-CG 4.04Å; F46-W115 HydrophobicContact CD1-CB 4.22Å; F46-W115 HydrophobicContact CE1-CB 3.69Å; F46-W115 HydrophobicContact CE1-CG 4.22Å; F46-W115 AromaticContact CE2-CD1 3.73Å; F46-W115 HydrophobicContact CZ-CB 4.05Å; F46-W115 AromaticContact CZ-CD1 3.66Å; F46-W115 HydrophobicContact CZ-CG 4.12Å; E87-W115 HydrophobicContact CB-CZ2 4.41Å; E87-W115 PolarHBondContact OE2-NE1 2.91Å; L91-W115 HydrophobicContact CD1-CH2 3.62Å; L91-W115 HydrophobicContact CD1-CZ2 4Å; L91-W115 HydrophobicContact CD2-CH2 3.84Å; L91-W115 HydrophobicContact CD2-CZ2 4.4Å; L91-W115 HydrophobicContact CG-CH2 4.01Å; L91-W115 HydrophobicContact CG-CZ2 4.23Å; F99-W115 HydrophobicContact CE1-CE3 4.26Å; F99-W115 HydrophobicContact CE1-CH2 4.08Å; F99-W115 AromaticContact CE1-CZ3 3.66Å; F99-W115 HydrophobicContact CE1-CZ3 3.66Å; F99-W115 HydrophobicContact CZ-CH2 4.43Å; F99-W115 HydrophobicContact CZ-CZ3 4.14Å; I111-W115 PolarHBondContact O-N 2.96Å; L112-W115 HydrophobicContact CD1-CB 4.47Å; L112-W115 HydrophobicContact CD1-CE3 4.45Å; L112-W115 WeakPolarHBondContact O-CB 3.49Å; L112-W115 PolarHBondContact O-N 3.01Å; K113-W115 VanDerWaalsContact C-N 3.29Å; K113-W115 PolarHBondContact O-N 3.17Å; W115-D117 PolarHBondContact O-N 3.38Å; W115-R118 PolarHBondContact O-N 3.21Å; W115-V119 HydrophobicContact CD2-CB 4.27Å; W115-V119 HydrophobicContact CD2-CG2 4.01Å; W115-V119 HydrophobicContact CG-CG2 4.08Å; W115-V119 HydrophobicContact CH2-CG1 4.24Å; W115-V119 HydrophobicContact CZ2-CB 4.3Å; W115-V119 HydrophobicContact CZ2-CG1 3.96Å; W115-V119 HydrophobicContact CZ2-CG2 4.35Å; W115-V119 VanDerWaalsContact O-CB 3.22Å; W115-V119 WeakPolarHBondContact O-CB 3.39Å; W115-V119 VanDerWaalsContact O-CG2 3.28Å; W115-V119 WeakPolarHBondContact O-CG2 3.23Å; W115-V119 PolarHBondContact O-N 3.16Å
116F97.6Very high91.1Very high7 Ų723.3 Ų23.33%0.03114%0.137CC..Hα-helixtrans-58.8-47.6172.8-64.9-52000111.7F99 V108 L112 K113 R118 L120 I175F99-F116 AromaticContact CD1-CE1 3.97Å; F99-F116 HydrophobicContact CD1-CE1 3.97Å; F99-F116 AromaticContact CD1-CZ 3.8Å; F99-F116 HydrophobicContact CD1-CZ 3.8Å; F99-F116 HydrophobicContact CE1-CD1 4.48Å; F99-F116 AromaticContact CE1-CE1 3.39Å; F99-F116 HydrophobicContact CE1-CE1 3.39Å; F99-F116 AromaticContact CE1-CZ 3.73Å; F99-F116 HydrophobicContact CE1-CZ 3.73Å; F99-F116 HydrophobicContact CE2-CE1 4.43Å; F99-F116 HydrophobicContact CG-CZ 4.32Å; F99-F116 AromaticContact CZ-CE1 3.65Å; F99-F116 HydrophobicContact CZ-CE1 3.65Å; F99-F116 HydrophobicContact CZ-CZ 4.18Å; V108-F116 HydrophobicContact CG1-CE2 4.29Å; V108-F116 HydrophobicContact CG2-CE2 4.32Å; L112-F116 HydrophobicContact CD1-CE2 4.06Å; L112-F116 HydrophobicContact CD1-CZ 4.02Å; L112-F116 HydrophobicContact CD2-CE2 4.46Å; L112-F116 HydrophobicContact CG-CD2 4.45Å; L112-F116 HydrophobicContact CG-CE2 3.83Å; L112-F116 HydrophobicContact CG-CZ 4.21Å; L112-F116 VanDerWaalsContact O-CD2 3.3Å; L112-F116 WeakPolarHBondContact O-CD2 3.41Å; L112-F116 PolarHBondContact O-N 3.44Å; K113-F116 WeakPolarHBondContact O-CB 3.33Å; K113-F116 PolarHBondContact O-N 2.96Å; K113-F116 VanDerWaalsContact O-N 3.16Å; F116-R118 VanDerWaalsContact C-N 3.29Å; F116-R118 PolarHBondContact O-N 3.18Å; F116-L120 HydrophobicContact CB-CD1 4.1Å; F116-L120 HydrophobicContact CD1-CD1 3.71Å; F116-L120 HydrophobicContact CD1-CG 4.34Å; F116-L120 HydrophobicContact CG-CD1 4.31Å; F116-L120 VanDerWaalsContact O-CB 3.29Å; F116-L120 WeakPolarHBondContact O-CB 3.28Å; F116-L120 WeakPolarHBondContact O-CG 3.45Å; F116-L120 PolarHBondContact O-N 3.46Å; F116-I175 HydrophobicContact CD1-CG2 3.87Å; F116-I175 HydrophobicContact CD2-CD1 4Å; F116-I175 HydrophobicContact CD2-CG2 4.47Å; F116-I175 HydrophobicContact CE1-CG2 4.12Å; F116-I175 HydrophobicContact CE2-CD1 4.3Å; F116-I175 HydrophobicContact CG-CD1 4.45Å; F116-I175 HydrophobicContact CG-CG2 4.08Å
117D96.4Very high89.6Confident71 Ų7119.3 Ų19.338%0.3812%0.122SC..Hα-helixtrans-63.6-31.2-175.9-68.5-22.4000114.1A50 K113 G114 W115A50-D117 HydrophobicContact CB-CB 4.41Å; K113-D117 IonicContact NZ-OD1 3.83Å; K113-D117 PolarHBondContact NZ-OD1 2.93Å; K113-D117 IonicContact NZ-OD2 3.54Å; K113-D117 PolarHBondContact NZ-OD2 2.86Å; K113-D117 VanDerWaalsContact O-CG 3.3Å; K113-D117 PolarHBondContact O-N 2.86Å; G114-D117 PolarHBondContact O-N 2.84Å; W115-D117 PolarHBondContact O-N 3.38Å
118R97.4Very high88.1Confident2 Ų223.8 Ų23.81%0.00814%0.138CC..Hα-helixtrans-93.9-39.3-178.4-67.6177.674.4-127-6.7112.8F46 K47 A50 D54 S81 D83 I84 G114 W115 F116 T121F46-R118 HydrophobicContact CZ-CB 4.4Å; K47-R118 WeakPolarHBondContact O-CD 3.31Å; K47-R118 PolarHBondContact O-NH1 2.89Å; A50-R118 HydrophobicContact CB-CG 4.06Å; D54-R118 IonicContact OD1-CZ 3.24Å; D54-R118 IonicContact OD1-NE 2.7Å; D54-R118 PolarHBondContact OD1-NE 3.31Å; D54-R118 IonicContact OD1-NH2 2.8Å; D54-R118 PolarHBondContact OD1-NH2 3.04Å; D54-R118 IonicContact OD2-NE 3.37Å; D54-R118 PolarHBondContact OD2-NE 3.12Å; S81-R118 PolarHBondContact OG-NH2 2.99Å; D83-R118 IonicContact OD1-NH2 2.56Å; D83-R118 PolarHBondContact OD1-NH2 3.29Å; D83-R118 IonicContact OD2-CZ 2.82Å; D83-R118 VanDerWaalsContact OD2-CZ 3.24Å; D83-R118 IonicContact OD2-NH1 3.84Å; D83-R118 PolarHBondContact OD2-NH1 3.13Å; D83-R118 IonicContact OD2-NH2 2.75Å; D83-R118 PolarHBondContact OD2-NH2 2.99Å; I84-R118 HydrophobicContact CD1-CB 4.01Å; I84-R118 HydrophobicContact CG1-CB 4.14Å; I84-R118 WeakPolarHBondContact CG2-O 3.41Å; G114-R118 WeakPolarHBondContact O-CB 3.44Å; G114-R118 WeakPolarHBondContact O-CG 3.16Å; G114-R118 PolarHBondContact O-N 3.37Å; W115-R118 PolarHBondContact O-N 3.21Å; F116-R118 VanDerWaalsContact C-N 3.29Å; F116-R118 PolarHBondContact O-N 3.18Å; R118-T121 PolarHBondContact O-OG1 3.31Å
119V96.6Very high86.5Confident0 Ų029 Ų290%017%0.165CC..Hα-helixtrans-85-41.8-172.3-178.60000111.9F46 E87 Q88 L91 W115 T121F46-V119 HydrophobicContact CE2-CG2 4.46Å; F46-V119 HydrophobicContact CZ-CG2 4.14Å; E87-V119 HydrophobicContact CB-CB 4.45Å; E87-V119 HydrophobicContact CB-CG1 3.81Å; E87-V119 HydrophobicContact CB-CG2 3.69Å; E87-V119 HydrophobicContact CG-CG2 4.2Å; Q88-V119 HydrophobicContact CG-CG1 3.91Å; Q88-V119 PolarHBondContact NE2-O 3.09Å; L91-V119 HydrophobicContact CD1-CG1 3.5Å; W115-V119 HydrophobicContact CD2-CB 4.27Å; W115-V119 HydrophobicContact CD2-CG2 4.01Å; W115-V119 HydrophobicContact CG-CG2 4.08Å; W115-V119 HydrophobicContact CH2-CG1 4.24Å; W115-V119 HydrophobicContact CZ2-CB 4.3Å; W115-V119 HydrophobicContact CZ2-CG1 3.96Å; W115-V119 HydrophobicContact CZ2-CG2 4.35Å; W115-V119 VanDerWaalsContact O-CB 3.22Å; W115-V119 WeakPolarHBondContact O-CB 3.39Å; W115-V119 VanDerWaalsContact O-CG2 3.28Å; W115-V119 WeakPolarHBondContact O-CG2 3.23Å; W115-V119 PolarHBondContact O-N 3.16Å; V119-T121 VanDerWaalsContact C-N 3.27Å; V119-T121 PolarHBondContact O-N 3.29Å; V119-T121 PolarHBondContact O-OG1 3.23Å
120L93.1Very high85.1Confident18 Ų1834.5 Ų34.59%0.09419%0.191CC..SBendtrans-79.277.3178.6-51.1-179.2000109.4L91 F116 D125 F126 I175L91-L120 HydrophobicContact CD1-CD2 4.25Å; F116-L120 HydrophobicContact CB-CD1 4.1Å; F116-L120 HydrophobicContact CD1-CD1 3.71Å; F116-L120 HydrophobicContact CD1-CG 4.34Å; F116-L120 HydrophobicContact CG-CD1 4.31Å; F116-L120 VanDerWaalsContact O-CB 3.29Å; F116-L120 WeakPolarHBondContact O-CB 3.28Å; F116-L120 WeakPolarHBondContact O-CG 3.45Å; F116-L120 PolarHBondContact O-N 3.46Å; L120-D125 HydrophobicContact CB-CB 4.18Å; L120-D125 HydrophobicContact CD2-CB 4.03Å; L120-D125 WeakPolarHBondContact CD2-OD2 3.29Å; L120-F126 WeakPolarHBondContact O-CE1 3.42Å; L120-I175 HydrophobicContact CD1-CG2 3.59Å
121T85.7Confident83.7Confident3 Ų333.1 Ų33.12%0.01817%0.171CC..  trans-86.6145.4-175.7-50.80000111.7W75 L80 Q88 R118 V119 G123 F124 D125W75-T121 HydrophobicContact CB-CG2 4.26Å; L80-T121 HydrophobicContact CD1-CG2 4.41Å; Q88-T121 PolarHBondContact NE2-OG1 3.44Å; R118-T121 PolarHBondContact O-OG1 3.31Å; V119-T121 VanDerWaalsContact C-N 3.27Å; V119-T121 PolarHBondContact O-N 3.29Å; V119-T121 PolarHBondContact O-OG1 3.23Å; T121-G123 PolarHBondContact O-N 3.49Å; T121-F124 WeakPolarHBondContact O-CB 3.5Å; T121-F124 PolarHBondContact O-N 2.96Å; T121-D125 PolarHBondContact O-N 2.97Å; T121-D125 VanDerWaalsContact O-N 3.12Å
122N80.8Confident82.3Confident5 Ų535.5 Ų35.53%0.02718%0.179CC..BIsolated β-bridgetrans-59.6129.4171.6-173.712.3000110.3L68 K72 F126L68-N122 HydrophobicContact CD1-CB 3.8Å; K72-N122 HydrophobicContact CB-CB 4.25Å; N122-F126 WeakPolarHBondContact CA-O 3.25Å; N122-F126 HydrophobicContact CB-CE1 4.25Å; N122-F126 HydrophobicContact CB-CE2 3.98Å; N122-F126 HydrophobicContact CB-CZ 3.75Å; N122-F126 PolarHBondContact OD1-O 2.75Å
123G70.8Confident80.3Confident22 Ų2238.5 Ų38.523%0.22720%0.2CC..THydrogen-bonded Turntrans95.9-28.9-171.100000113.9W75 T121 F126W75-G123 WeakPolarHBondContact CH2-O 3.31Å; W75-G123 WeakPolarHBondContact CZ2-O 3.22Å; W75-G123 VanDerWaalsContact CZ3-O 3.26Å; W75-G123 WeakPolarHBondContact CZ3-O 3.19Å; T121-G123 PolarHBondContact O-N 3.49Å; G123-F126 PolarHBondContact N-O 3.13Å
124F75.8Confident78.7Confident15 Ų1535.3 Ų35.37%0.06619%0.187CC..THydrogen-bonded Turntrans-90.6-63.8176-178.5-123000112.4W75 Q88 L91 T92 T121 L134 T136W75-F124 HydrophobicContact CD2-CB 4.34Å; W75-F124 HydrophobicContact CG-CB 4.41Å; W75-F124 HydrophobicContact CZ2-CB 4.24Å; W75-F124 HydrophobicContact CZ2-CD2 4.3Å; W75-F124 AromaticContact NE1-CD2 3.68Å; W75-F124 AromaticContact NE1-CG 3.82Å; Q88-F124 HydrophobicContact CB-CD1 4.13Å; Q88-F124 HydrophobicContact CB-CE1 3.53Å; Q88-F124 HydrophobicContact CB-CE2 4.25Å; Q88-F124 HydrophobicContact CB-CZ 3.61Å; Q88-F124 HydrophobicContact CG-CD1 3.59Å; Q88-F124 HydrophobicContact CG-CE1 3.41Å; Q88-F124 VanDerWaalsContact CG-CE1 3.41Å; Q88-F124 HydrophobicContact CG-CG 4.36Å; Q88-F124 HydrophobicContact CG-CZ 4.02Å; L91-F124 HydrophobicContact CD1-CE1 4.41Å; T92-F124 WeakPolarHBondContact OG1-CE2 3.48Å; T92-F124 WeakPolarHBondContact OG1-CZ 3.42Å; T121-F124 WeakPolarHBondContact O-CB 3.5Å; T121-F124 PolarHBondContact O-N 2.96Å; F124-L134 WeakPolarHBondContact O-CD1 3.48Å; F124-T136 HydrophobicContact CE2-CG2 4.14Å; F124-T136 PolarHBondContact O-OG1 3.49Å
125D66.8Low77Confident0 Ų041.6 Ų41.60%022%0.215CC..THydrogen-bonded Turntrans-116-10.2-168.8-74.9-29.9000113.6L120 T121 L137 C179L120-D125 HydrophobicContact CB-CB 4.18Å; L120-D125 HydrophobicContact CD2-CB 4.03Å; L120-D125 WeakPolarHBondContact CD2-OD2 3.29Å; T121-D125 PolarHBondContact O-N 2.97Å; T121-D125 VanDerWaalsContact O-N 3.12Å; D125-L137 HydrophobicContact CB-CD1 4.03Å; D125-L137 VanDerWaalsContact OD1-CD1 3.25Å; D125-L137 WeakPolarHBondContact OD1-CD1 3.46Å; D125-C179 HydrophobicContact CB-CB 4.49Å; D125-C179 VanDerWaalsContact O-CA 3.22Å; D125-C179 WeakPolarHBondContact O-CA 3.3Å; D125-C179 VanDerWaalsContact O-CB 3.31Å; D125-C179 WeakPolarHBondContact O-CB 3.48Å; D125-C179 PolarHBondContact O-SG 2.9Å
126F67Low75.6Confident38 Ų3844.3 Ų44.317%0.16723%0.232CC..BIsolated β-bridgetrans-149.7161.5162.373.4-85.4000112L68 L120 N122 G123 Q128 L134 Y178L68-F126 HydrophobicContact CD1-CE2 4.34Å; L68-F126 HydrophobicContact CD1-CZ 4.07Å; L120-F126 WeakPolarHBondContact O-CE1 3.42Å; N122-F126 WeakPolarHBondContact CA-O 3.25Å; N122-F126 HydrophobicContact CB-CE1 4.25Å; N122-F126 HydrophobicContact CB-CE2 3.98Å; N122-F126 HydrophobicContact CB-CZ 3.75Å; N122-F126 PolarHBondContact OD1-O 2.75Å; G123-F126 PolarHBondContact N-O 3.13Å; F126-Q128 HydrophobicContact CE2-CG 4.48Å; F126-L134 VanDerWaalsContact C-CD1 3.44Å; F126-Y178 HydrophobicContact CB-CD1 3.93Å; F126-Y178 HydrophobicContact CB-CE1 3.49Å; F126-Y178 VanDerWaalsContact CB-CE1 3.49Å; F126-Y178 AromaticContact CD2-CE1 3.68Å; F126-Y178 HydrophobicContact CD2-CE1 3.68Å; F126-Y178 HydrophobicContact CG-CD1 4.38Å; F126-Y178 AromaticContact CG-CE1 3.67Å; F126-Y178 HydrophobicContact CG-CE1 3.67Å
127S66.9Low74.8Confident18 Ų1844 Ų4413%0.12623%0.23CC..  trans-127.9138.6170174.40000109.4D129 E130S127-D129 PolarHBondContact O-N 2.56Å; S127-D129 PolarHBondContact OG-N 2.82Å; S127-D129 VanDerWaalsContact OG-N 3.13Å; S127-E130 CarbonylContact O-C 3.42Å; S127-E130 PolarHBondContact O-N 3.18Å; S127-E130 PolarHBondContact OG-N 3.03Å
128Q65.1Low74Confident110 Ų11044.4 Ų44.451%0.51423%0.229SC..SBendtrans-67.5-27.1171.5-71-163.3-26.800112.4F126F126-Q128 HydrophobicContact CE2-CG 4.48Å
129D66.1Low73.5Confident131 Ų13150.1 Ų50.170%0.70126%0.26SS*.SBendtrans-79.5-24.4180-57-47.3000111.7S127S127-D129 PolarHBondContact O-N 2.56Å; S127-D129 PolarHBondContact OG-N 2.82Å; S127-D129 VanDerWaalsContact OG-N 3.13Å
130E68.6Low73.4Confident115 Ų11551.5 Ų51.554%0.53727%0.266SS..SBendtrans-136.967.1-176.5-64.4-169.5159.100111.3S127 C133S127-E130 CarbonylContact O-C 3.42Å; S127-E130 PolarHBondContact O-N 3.18Å; S127-E130 PolarHBondContact OG-N 3.03Å; E130-C133 HydrophobicContact CB-CB 3.91Å; E130-C133 PolarHBondContact O-N 3.49Å
131P69.1Low73.6Confident27 Ų2752.2 Ų52.218%0.17527%0.268CS..THydrogen-bonded Turntrans-62141.5178.728.4-35.3000110.2C133 Y178 F233P131-C133 PolarHBondContact O-N 2.8Å; P131-Y178 HydrophobicContact CB-CD2 4.47Å; P131-Y178 HydrophobicContact CB-CE2 3.57Å; P131-F233 HydrophobicContact CG-CD1 4.33Å; P131-F233 HydrophobicContact CG-CE1 3.78Å
132Y69.9Low74.2Confident73 Ų7352 Ų5229%0.28627%0.267SS..THydrogen-bonded Turntrans62.91.6-177.4-51.8-92.3000115.8N173 H177 Y178 L225Y132-N173 PolarHBondContact OH-ND2 3.05Å; Y132-H177 AromaticContact CD1-CD2 3.67Å; Y132-H177 AromaticContact CE1-CD2 4Å; Y132-Y178 WeakPolarHBondContact CA-O 3.46Å; Y132-Y178 VanDerWaalsContact CD1-CA 3.49Å; Y132-Y178 HydrophobicContact CD1-CD2 4.17Å; Y132-Y178 HydrophobicContact CD2-CD2 4.04Å; Y132-Y178 HydrophobicContact CD2-CE2 4.36Å; Y132-Y178 AromaticContact CE1-CD2 3.91Å; Y132-Y178 HydrophobicContact CE1-CD2 3.91Å; Y132-Y178 AromaticContact CE2-CD2 3.78Å; Y132-Y178 HydrophobicContact CE2-CD2 3.78Å; Y132-Y178 HydrophobicContact CE2-CE2 4.14Å; Y132-Y178 HydrophobicContact CG-CD2 4.21Å; Y132-Y178 AromaticContact CZ-CD2 3.71Å; Y132-Y178 PolarHBondContact N-O 3.31Å; Y132-L225 VanDerWaalsContact CB-CD1 3.48Å; Y132-L225 HydrophobicContact CD2-CD2 3.9Å; Y132-L225 HydrophobicContact CG-CD2 3.8Å
133C58Low75Confident63 Ų6351.8 Ų51.843%0.42627%0.266SS..  trans-114.819.3-168.8-90.50000114.1E130 P131 E135 L225E130-C133 HydrophobicContact CB-CB 3.91Å; E130-C133 PolarHBondContact O-N 3.49Å; P131-C133 PolarHBondContact O-N 2.8Å; C133-E135 PolarHBondContact O-N 3.14Å; C133-L225 WeakPolarHBondContact SG-CD1 3.2Å
134L63.5Low76.4Confident21 Ų2150.9 Ų50.911%0.1126%0.255CS..  trans-78.9121.9177.5-76.2-149.7000113.2F124 F126 T136F124-L134 WeakPolarHBondContact O-CD1 3.48Å; F126-L134 VanDerWaalsContact C-CD1 3.44Å; L134-T136 PolarHBondContact O-N 3.02Å; L134-T136 VanDerWaalsContact O-N 3.17Å
135E62.8Low77.5Confident135 Ų13550.1 Ų50.163%0.63125%0.252SS*.THydrogen-bonded Turntrans-59.9-22.6175-69.5-80125.200113.4C133 L137 K138C133-E135 PolarHBondContact O-N 3.14Å; E135-L137 PolarHBondContact O-N 2.91Å; E135-K138 WeakPolarHBondContact OE1-CD 3.28Å; E135-K138 IonicContact OE1-NZ 3.22Å; E135-K138 PolarHBondContact OE1-NZ 3.13Å; E135-K138 WeakPolarHBondContact OE2-CE 3.38Å; E135-K138 IonicContact OE2-NZ 2.7Å; E135-K138 PolarHBondContact OE2-NZ 3.04Å
136T69.1Low79Confident56 Ų5650.1 Ų50.134%0.34425%0.252SS..THydrogen-bonded Turntrans-62.1-39.4-172.8-46.40000113.2F124 L134 K140F124-T136 HydrophobicContact CE2-CG2 4.14Å; F124-T136 PolarHBondContact O-OG1 3.49Å; L134-T136 PolarHBondContact O-N 3.02Å; L134-T136 VanDerWaalsContact O-N 3.17Å; T136-K140 WeakPolarHBondContact O-CE 3.24Å
137L82Confident80.5Confident0 Ų048.9 Ų48.90%025%0.248CC..THydrogen-bonded Turntrans-117.60.6-173.9-49.4175.6000114.1D125 E135 D139 K140 C179 F181D125-L137 HydrophobicContact CB-CD1 4.03Å; D125-L137 VanDerWaalsContact OD1-CD1 3.25Å; D125-L137 WeakPolarHBondContact OD1-CD1 3.46Å; E135-L137 PolarHBondContact O-N 2.91Å; L137-D139 PolarHBondContact O-N 2.61Å; L137-D139 VanDerWaalsContact O-N 3.13Å; L137-K140 HydrophobicContact CB-CD 4.33Å; L137-K140 HydrophobicContact CD2-CD 3.62Å; L137-K140 WeakPolarHBondContact O-CB 3.45Å; L137-K140 PolarHBondContact O-N 2.86Å; L137-C179 WeakPolarHBondContact CB-O 3.33Å; L137-C179 HydrophobicContact CD1-CB 3.68Å; L137-F181 HydrophobicContact CB-CD1 4.34Å; L137-F181 HydrophobicContact CB-CD2 4.48Å; L137-F181 HydrophobicContact CB-CE1 4.24Å; L137-F181 HydrophobicContact CB-CE2 4.39Å; L137-F181 HydrophobicContact CB-CG 4.46Å; L137-F181 HydrophobicContact CB-CZ 4.27Å; L137-F181 HydrophobicContact CD1-CD2 3.98Å; L137-F181 HydrophobicContact CD1-CE1 4.42Å; L137-F181 HydrophobicContact CD1-CE2 3.37Å; L137-F181 HydrophobicContact CD1-CZ 3.63Å; L137-F181 HydrophobicContact CD2-CE1 4.46Å; L137-F181 HydrophobicContact CD2-CZ 4.11Å; L137-F181 HydrophobicContact CG-CE2 4.34Å; L137-F181 HydrophobicContact CG-CZ 4.21Å
138K80.1Confident82Confident80 Ų8048.4 Ų48.435%0.34824%0.244SC..THydrogen-bonded Turntrans-56.5-32.3-173.873.5174.2-177.9177.10115.5E135 G180 Q182E135-K138 WeakPolarHBondContact OE1-CD 3.28Å; E135-K138 IonicContact OE1-NZ 3.22Å; E135-K138 PolarHBondContact OE1-NZ 3.13Å; E135-K138 WeakPolarHBondContact OE2-CE 3.38Å; E135-K138 IonicContact OE2-NZ 2.7Å; E135-K138 PolarHBondContact OE2-NZ 3.04Å; K138-G180 VanDerWaalsContact CA-O 3.27Å; K138-G180 WeakPolarHBondContact CA-O 3.45Å; K138-Q182 PolarHBondContact O-NE2 2.97Å
139D86.8Confident83.5Confident123 Ų12345.9 Ų45.966%0.65825%0.248SC*.THydrogen-bonded Turntrans-96.44.6-177.1-63.3-40.9000112.2L137L137-D139 PolarHBondContact O-N 2.61Å; L137-D139 VanDerWaalsContact O-N 3.13Å
140K93.8Very high85Confident29 Ų2941.2 Ų41.213%0.12623%0.225CC..  trans-101.3141.7-177.7-56.5179.5-174-62.30110.2L91 T92 A94 T136 L137 F181 Q182L91-K140 VanDerWaalsContact O-CE 3.25Å; L91-K140 WeakPolarHBondContact O-CE 3.33Å; L91-K140 PolarHBondContact O-NZ 2.88Å; T92-K140 PolarHBondContact O-NZ 3.03Å; A94-K140 VanDerWaalsContact O-CD 3.31Å; A94-K140 WeakPolarHBondContact O-CD 3.4Å; A94-K140 WeakPolarHBondContact O-CG 3.41Å; A94-K140 PolarHBondContact O-NZ 3.38Å; T136-K140 WeakPolarHBondContact O-CE 3.24Å; L137-K140 HydrophobicContact CB-CD 4.33Å; L137-K140 HydrophobicContact CD2-CD 3.62Å; L137-K140 WeakPolarHBondContact O-CB 3.45Å; L137-K140 PolarHBondContact O-N 2.86Å; K140-F181 HydrophobicContact CB-CD1 3.78Å; K140-F181 HydrophobicContact CB-CE1 3.7Å; K140-F181 HydrophobicContact CD-CE1 4.28Å; K140-Q182 PolarHBondContact O-N 3.14Å
141K97.2Very high86.4Confident32 Ų3238.1 Ų38.114%0.13922%0.215CC..EExtended strand (participates in β ladder)trans-93143.2174-70.5178.4174.2-169.30110.4D95 L96 V97 Q182 L184 L215 E217D95-K141 PolarHBondContact O-N 3.38Å; L96-K141 CarbonylContact C-O 3.53Å; L96-K141 VanDerWaalsContact CA-O 3.31Å; L96-K141 WeakPolarHBondContact CA-O 3.29Å; L96-K141 HydrophobicContact CD1-CB 3.83Å; V97-K141 PolarHBondContact N-O 3.49Å; K141-Q182 CarbonylContact C-O 3.36Å; K141-Q182 VanDerWaalsContact CA-O 3.24Å; K141-Q182 WeakPolarHBondContact CA-O 3.15Å; K141-Q182 HydrophobicContact CG-CB 4.01Å; K141-L184 HydrophobicContact CB-CD1 4.27Å; K141-L184 HydrophobicContact CB-CG 4.27Å; K141-L184 HydrophobicContact CD-CD1 4.38Å; K141-L184 HydrophobicContact CD-CD2 4.05Å; K141-L184 HydrophobicContact CD-CG 4.43Å; K141-L184 HydrophobicContact CG-CD2 4.49Å; K141-L215 PolarHBondContact NZ-O 2.95Å; K141-E217 PolarHBondContact NZ-O 2.72Å
142A98.1Very high87.7Confident0 Ų042.5 Ų42.50%023%0.233CC..EExtended strand (participates in β ladder)trans-132.7144.1172.300000111.5V97 F99 L176 F181 Q182 V183 L184V97-A142 HydrophobicContact CB-CB 4.5Å; V97-A142 CarbonylContact O-C 3.37Å; V97-A142 VanDerWaalsContact O-CA 3.28Å; V97-A142 WeakPolarHBondContact O-CA 3.47Å; F99-A142 HydrophobicContact CE2-CB 4.31Å; A142-L176 HydrophobicContact CB-CD1 4.01Å; A142-L176 HydrophobicContact CB-CD2 4.3Å; A142-F181 HydrophobicContact CB-CB 3.83Å; A142-F181 HydrophobicContact CB-CD1 3.58Å; A142-F181 HydrophobicContact CB-CD2 4.14Å; A142-F181 HydrophobicContact CB-CE1 4.12Å; A142-F181 HydrophobicContact CB-CG 3.6Å; A142-Q182 PolarHBondContact N-O 2.8Å; A142-V183 CarbonylContact O-C 3.58Å; A142-V183 WeakPolarHBondContact O-CA 3.44Å; A142-L184 PolarHBondContact O-N 2.96Å
143M98.4Very high89Confident0 Ų043.1 Ų43.10%025%0.248CC..EExtended strand (participates in β ladder)trans-138.4136.8179.6-166.5-169.461.900111.5V97 I98 F99 L184 P185 E187 W207 L214V97-M143 PolarHBondContact O-N 3.04Å; I98-M143 HydrophobicContact CD1-CE 4.43Å; I98-M143 HydrophobicContact CG1-CE 4.26Å; I98-M143 HydrophobicContact CG2-CE 3.9Å; F99-M143 PolarHBondContact N-O 3.06Å; M143-L184 HydrophobicContact CB-CB 4.04Å; M143-L184 HydrophobicContact CB-CD1 4.42Å; M143-L184 HydrophobicContact CG-CB 4.03Å; M143-P185 VanDerWaalsContact CG-O 3.3Å; M143-P185 WeakPolarHBondContact CG-O 3.49Å; M143-E187 HydrophobicContact CE-CB 4.37Å; M143-E187 HydrophobicContact SD-CB 4.47Å; M143-W207 HydrophobicContact CE-CH2 3.26Å; M143-W207 HydrophobicContact CE-CZ2 4.14Å; M143-W207 HydrophobicContact CE-CZ3 3.76Å; M143-W207 HydrophobicContact SD-CH2 4.3Å; M143-W207 HydrophobicContact SD-CZ3 4.3Å; M143-L214 HydrophobicContact CE-CD2 4.33Å; M143-L214 HydrophobicContact SD-CD1 3.79Å; M143-L214 HydrophobicContact SD-CD2 4.48Å
144L98.8Very high90.9Very high2 Ų242.9 Ų42.91%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-86.6122167.2-55.3177.8000109.1F99 F101 F146 L168 L171 Q172 L176 P186 E187F99-L144 HydrophobicContact CB-CD2 4.08Å; F99-L144 HydrophobicContact CD2-CD2 4.15Å; F99-L144 HydrophobicContact CG-CD2 4.37Å; F101-L144 HydrophobicContact CE1-CB 4.3Å; F101-L144 HydrophobicContact CE1-CD2 4Å; F101-L144 HydrophobicContact CZ-CB 4.43Å; F101-L144 HydrophobicContact CZ-CD2 4.31Å; L144-F146 HydrophobicContact CB-CD1 4.07Å; L144-F146 HydrophobicContact CB-CE1 4.31Å; L144-L168 HydrophobicContact CD1-CD2 4.3Å; L144-L171 HydrophobicContact CD1-CB 3.89Å; L144-L171 HydrophobicContact CD1-CD1 4.21Å; L144-Q172 HydrophobicContact CD1-CG 3.73Å; L144-L176 HydrophobicContact CD2-CD1 3.93Å; L144-L176 HydrophobicContact CG-CD1 4.15Å; L144-P186 HydrophobicContact CB-CB 4.4Å; L144-P186 CarbonylContact O-C 3.59Å; L144-P186 VanDerWaalsContact O-CA 3.27Å; L144-P186 WeakPolarHBondContact O-CA 3.49Å; L144-E187 PolarHBondContact O-N 3.4Å
145S98.8Very high92.4Very high0 Ų042.5 Ų42.50%024%0.239CC..EExtended strand (participates in β ladder)trans-118.7112.6171.4-174.20000109.2F99 Q100 F101 E187 F189F99-S145 CarbonylContact O-C 3.43Å; F99-S145 PolarHBondContact O-N 2.96Å; Q100-S145 VanDerWaalsContact CA-O 3.23Å; Q100-S145 WeakPolarHBondContact CA-O 3.45Å; Q100-S145 PolarHBondContact NE2-O 3.14Å; Q100-S145 VanDerWaalsContact NE2-O 3.12Å; Q100-S145 PolarHBondContact OE1-OG 3.12Å; F101-S145 PolarHBondContact N-O 2.86Å; F101-S145 VanDerWaalsContact N-O 3.12Å; S145-E187 CarbonylContact C-O 3.51Å; S145-E187 WeakPolarHBondContact CA-O 3.5Å; S145-F189 WeakPolarHBondContact OG-CE2 3.3Å
146F98.8Very high93.7Very high0 Ų038.2 Ų38.20%022%0.224CC..EExtended strand (participates in β ladder)trans-146156-170.364.9-89000114.9F101 M103 L144 T148 I164 L168 P186 E187 V188 F189F101-F146 HydrophobicContact CD1-CB 4.35Å; F101-F146 HydrophobicContact CD2-CB 3.87Å; F101-F146 HydrophobicContact CE1-CB 4.11Å; F101-F146 HydrophobicContact CE2-CB 3.62Å; F101-F146 HydrophobicContact CE2-CD1 4.44Å; F101-F146 HydrophobicContact CE2-CG 4.05Å; F101-F146 HydrophobicContact CG-CB 4.22Å; F101-F146 HydrophobicContact CZ-CB 3.75Å; F101-F146 AromaticContact CZ-CD1 3.98Å; F101-F146 HydrophobicContact CZ-CD1 3.98Å; F101-F146 HydrophobicContact CZ-CG 4.04Å; F101-F146 WeakPolarHBondContact O-CA 3.37Å; F101-F146 WeakPolarHBondContact O-CB 3.42Å; M103-F146 HydrophobicContact CB-CD2 4.1Å; M103-F146 HydrophobicContact CE-CD2 4.12Å; M103-F146 HydrophobicContact CE-CE2 3.54Å; M103-F146 HydrophobicContact CE-CZ 4.14Å; L144-F146 HydrophobicContact CB-CD1 4.07Å; L144-F146 HydrophobicContact CB-CE1 4.31Å; F146-T148 HydrophobicContact CD2-CG2 4.12Å; F146-T148 HydrophobicContact CE2-CG2 3.84Å; F146-I164 HydrophobicContact CZ-CD1 4.47Å; F146-L168 HydrophobicContact CE1-CD1 4.14Å; F146-L168 HydrophobicContact CE1-CD2 3.77Å; F146-L168 HydrophobicContact CZ-CD1 4.03Å; F146-L168 HydrophobicContact CZ-CD2 3.68Å; F146-L168 HydrophobicContact CZ-CG 4.4Å; F146-P186 HydrophobicContact CE1-CB 3.95Å; F146-E187 PolarHBondContact N-O 3.12Å; F146-V188 HydrophobicContact CD2-CG1 4.2Å; F146-V188 HydrophobicContact CE1-CG2 3.8Å; F146-V188 HydrophobicContact CE2-CB 4.34Å; F146-V188 HydrophobicContact CE2-CG1 3.56Å; F146-V188 HydrophobicContact CE2-CG2 4.02Å; F146-V188 HydrophobicContact CZ-CB 4.21Å; F146-V188 HydrophobicContact CZ-CG1 3.88Å; F146-V188 HydrophobicContact CZ-CG2 3.41Å; F146-V188 VanDerWaalsContact CZ-CG2 3.41Å; F146-F189 WeakPolarHBondContact O-CD2 3.27Å; F146-F189 PolarHBondContact O-N 3.35Å
147T98.8Very high94.5Very high11 Ų1141.5 Ų41.57%0.06724%0.244CC..EExtended strand (participates in β ladder)trans-103.2139.7174.564.30000110.7F17 N18 F101 P102 M103 F189 P192F17-T147 HydrophobicContact CD1-CG2 3.59Å; F17-T147 HydrophobicContact CE1-CG2 4.21Å; N18-T147 WeakPolarHBondContact ND2-CG2 3.28Å; N18-T147 PolarHBondContact ND2-OG1 3.09Å; F101-T147 PolarHBondContact O-N 3.08Å; F101-T147 VanDerWaalsContact O-N 3.14Å; P102-T147 WeakPolarHBondContact CA-OG1 3.41Å; M103-T147 PolarHBondContact N-O 2.74Å; T147-F189 WeakPolarHBondContact CA-O 3.47Å; T147-F189 HydrophobicContact CG2-CB 3.88Å; T147-F189 HydrophobicContact CG2-CD2 4.11Å; T147-F189 HydrophobicContact CG2-CG 4.37Å; T147-P192 HydrophobicContact CG2-CG 3.93Å
148T98.5Very high95.1Very high8 Ų849 Ų495%0.04928%0.282CS..  trans-101160.5172.566.70000112M103 F146 S150 F155 V188 F189 W190 A191M103-T148 HydrophobicContact SD-CG2 4.32Å; F146-T148 HydrophobicContact CD2-CG2 4.12Å; F146-T148 HydrophobicContact CE2-CG2 3.84Å; T148-S150 PolarHBondContact OG1-O 2.83Å; T148-F155 HydrophobicContact CG2-CE2 4.29Å; T148-V188 HydrophobicContact CG2-CG1 3.85Å; T148-F189 PolarHBondContact N-O 3.03Å; T148-W190 HydrophobicContact CG2-CE3 3.67Å; T148-W190 HydrophobicContact CG2-CZ3 3.67Å; T148-W190 WeakPolarHBondContact OG1-CA 3.46Å; T148-A191 VanDerWaalsContact O-CA 3.3Å; T148-A191 WeakPolarHBondContact O-CA 3.29Å; T148-A191 PolarHBondContact O-N 3.5Å; T148-A191 PolarHBondContact OG1-N 3.02Å
149G97.3Very high95.8Very high58 Ų5845.9 Ų45.960%0.59827%0.273SS*.SBendtrans-81.4-24.4165.400000113.6
150S97.3Very high96.3Very high32 Ų3247 Ų4722%0.22428%0.278CS..SBendtrans-108.6147.5-174-630000112.5T148 M154T148-S150 PolarHBondContact OG1-O 2.83Å; S150-M154 VanDerWaalsContact CB-SD 3.58Å
151P97.1Very high96.5Very high51 Ų5147.6 Ų47.633%0.33128%0.282SS..  trans-64.7158175.428.5-36.1000111.9S153 M154P151-S153 PolarHBondContact O-N 2.83Å; P151-M154 HydrophobicContact CG-CG 4.11Å; P151-M154 HydrophobicContact CG-SD 4.13Å; P151-M154 PolarHBondContact O-N 3.18Å
152E96.5Very high96.4Very high119 Ų11947.4 Ų47.456%0.55629%0.289SS*.G310 helixtrans-51.9-37.8178.4-173.3165.3-137.800113.2M154 F155 W190E152-M154 PolarHBondContact O-N 3.46Å; E152-F155 PolarHBondContact O-N 3.34Å; E152-W190 HydrophobicContact CB-CB 4.25Å; E152-W190 HydrophobicContact CB-CD2 3.69Å; E152-W190 HydrophobicContact CB-CE3 4.34Å; E152-W190 HydrophobicContact CB-CG 3.63Å; E152-W190 HydrophobicContact CB-CZ2 4.43Å; E152-W190 HydrophobicContact CG-CD2 4.13Å; E152-W190 HydrophobicContact CG-CG 4.31Å; E152-W190 HydrophobicContact CG-CZ2 4Å; E152-W190 PolarHBondContact OE1-NE1 2.7Å
153S96.6Very high96.1Very high86 Ų8649 Ų4960%0.60130%0.298SS*.G310 helixtrans-61.7-17.6-179.163.10000114.3P151 C156P151-S153 PolarHBondContact O-N 2.83Å; S153-C156 PolarHBondContact O-SG 3.06Å
154M97.8Very high96Very high57 Ų5750 Ų5028%0.28130%0.303SS..G310 helixtrans-82.4-19.7173.8-68179.872.200112.4S150 P151 E152 G159 I160 N161S150-M154 VanDerWaalsContact CB-SD 3.58Å; P151-M154 HydrophobicContact CG-CG 4.11Å; P151-M154 HydrophobicContact CG-SD 4.13Å; P151-M154 PolarHBondContact O-N 3.18Å; E152-M154 PolarHBondContact O-N 3.46Å; M154-G159 CarbonylContact O-C 3.6Å; M154-G159 VanDerWaalsContact O-C 3.27Å; M154-G159 VanDerWaalsContact O-CA 3.29Å; M154-G159 WeakPolarHBondContact O-CA 3.41Å; M154-I160 HydrophobicContact CB-CG2 4.41Å; M154-I160 HydrophobicContact CE-CG2 3.29Å; M154-I160 HydrophobicContact CG-CG2 4.33Å; M154-I160 PolarHBondContact O-N 3.06Å; M154-N161 HydrophobicContact CB-CB 4.41Å; M154-N161 WeakPolarHBondContact O-CA 3.32Å; M154-N161 VanDerWaalsContact O-CB 3.28Å; M154-N161 WeakPolarHBondContact O-CB 3.46Å; M154-N161 PolarHBondContact O-N 3.25Å
155F95.6Very high95.7Very high13 Ų1352.1 Ų52.16%0.05731%0.314CS..SBendtrans-107.440.1-173.1-74-79.9000113.4M103 F106 T148 E152 N161 G162 I164 W190M103-F155 HydrophobicContact SD-CE1 4.47Å; M103-F155 HydrophobicContact SD-CZ 4.03Å; F106-F155 HydrophobicContact CD1-CE1 4.06Å; F106-F155 AromaticContact CE1-CE1 3.82Å; F106-F155 HydrophobicContact CE1-CE1 3.82Å; F106-F155 HydrophobicContact CE1-CZ 4.21Å; T148-F155 HydrophobicContact CG2-CE2 4.29Å; E152-F155 PolarHBondContact O-N 3.34Å; F155-N161 HydrophobicContact CD1-CB 3.65Å; F155-N161 HydrophobicContact CE1-CB 3.64Å; F155-N161 WeakPolarHBondContact CE2-ND2 3.37Å; F155-N161 HydrophobicContact CG-CB 4.13Å; F155-N161 HydrophobicContact CZ-CB 4.13Å; F155-N161 VanDerWaalsContact CZ-ND2 3.34Å; F155-N161 WeakPolarHBondContact CZ-ND2 3.06Å; F155-G162 CarbonylContact C-O 3.44Å; F155-G162 WeakPolarHBondContact CA-O 3.27Å; F155-I164 HydrophobicContact CB-CB 4.17Å; F155-I164 HydrophobicContact CD1-CD1 3.78Å; F155-I164 HydrophobicContact CE1-CD1 4.06Å; F155-I164 HydrophobicContact CG-CD1 4.23Å; F155-I164 PolarHBondContact O-N 2.85Å; F155-W190 HydrophobicContact CB-CH2 3.77Å; F155-W190 HydrophobicContact CB-CZ3 3.86Å; F155-W190 HydrophobicContact CD2-CE3 4.03Å; F155-W190 HydrophobicContact CD2-CH2 4.09Å; F155-W190 AromaticContact CD2-CZ3 3.29Å; F155-W190 HydrophobicContact CD2-CZ3 3.29Å; F155-W190 HydrophobicContact CE2-CE3 4.47Å; F155-W190 AromaticContact CE2-CZ3 3.85Å; F155-W190 HydrophobicContact CE2-CZ3 3.85Å; F155-W190 HydrophobicContact CG-CH2 4.08Å; F155-W190 AromaticContact CG-CZ3 3.74Å; F155-W190 HydrophobicContact CG-CZ3 3.74Å
156C90Very high95.5Very high45 Ų4556 Ų5630%0.30434%0.338SS..SBendtrans-120.2176.3176.269.10000110.6S153 I158 G159 G162S153-C156 PolarHBondContact O-SG 3.06Å; C156-I158 PolarHBondContact O-N 3.31Å; C156-G159 PolarHBondContact O-N 3.35Å; C156-G159 PolarHBondContact SG-N 3.46Å; C156-G159 VanDerWaalsContact SG-N 3.43Å; C156-G162 PolarHBondContact N-O 3.2Å; C156-G162 CarbonylContact O-C 3.59Å
157T87.2Confident95.4Very high125 Ų12557.2 Ų57.277%0.76735%0.345SS*.THydrogen-bonded Turntrans-58.6-21.6-177.154.90000114.6
158I92.9Very high95.3Very high157 Ų15756.8 Ų56.881%0.80534%0.342SS*.THydrogen-bonded Turntrans-112.23.6175.463.8169.5000113C156C156-I158 PolarHBondContact O-N 3.31Å
159G96.2Very high95.2Very high16 Ų1658.3 Ų58.317%0.16535%0.347CS..SBendtrans-82.3149.1-17900000111.4M154 C156 N161 G162M154-G159 CarbonylContact O-C 3.6Å; M154-G159 VanDerWaalsContact O-C 3.27Å; M154-G159 VanDerWaalsContact O-CA 3.29Å; M154-G159 WeakPolarHBondContact O-CA 3.41Å; C156-G159 PolarHBondContact O-N 3.35Å; C156-G159 PolarHBondContact SG-N 3.46Å; C156-G159 VanDerWaalsContact SG-N 3.43Å; G159-N161 PolarHBondContact O-N 2.86Å; G159-G162 PolarHBondContact O-N 3.2Å
160I97.3Very high95.2Very high147 Ų14759.3 Ų59.375%0.75434%0.343SS*.THydrogen-bonded Turntrans-64.3-24.2-176.7-166.6170.3000113.7M154 G162M154-I160 HydrophobicContact CB-CG2 4.41Å; M154-I160 HydrophobicContact CE-CG2 3.29Å; M154-I160 HydrophobicContact CG-CG2 4.33Å; M154-I160 PolarHBondContact O-N 3.06Å; I160-G162 VanDerWaalsContact C-N 3.34Å
161N96.7Very high95.2Very high40 Ų4058.7 Ų58.721%0.21434%0.337CS..THydrogen-bonded Turntrans-87.8-5.9176.4-69.1-10.7000112.6F106 M154 F155 G159F106-N161 HydrophobicContact CE1-CB 3.94Å; F106-N161 HydrophobicContact CZ-CB 4.43Å; M154-N161 HydrophobicContact CB-CB 4.41Å; M154-N161 WeakPolarHBondContact O-CA 3.32Å; M154-N161 VanDerWaalsContact O-CB 3.28Å; M154-N161 WeakPolarHBondContact O-CB 3.46Å; M154-N161 PolarHBondContact O-N 3.25Å; F155-N161 HydrophobicContact CD1-CB 3.65Å; F155-N161 HydrophobicContact CE1-CB 3.64Å; F155-N161 WeakPolarHBondContact CE2-ND2 3.37Å; F155-N161 HydrophobicContact CG-CB 4.13Å; F155-N161 HydrophobicContact CZ-CB 4.13Å; F155-N161 VanDerWaalsContact CZ-ND2 3.34Å; F155-N161 WeakPolarHBondContact CZ-ND2 3.06Å; G159-N161 PolarHBondContact O-N 2.86Å
162G95Very high95.1Very high28 Ų2856.4 Ų56.429%0.28932%0.322SS..  trans74.8179.6-176.100000113.8F155 C156 G159 I160 I164F155-G162 CarbonylContact C-O 3.44Å; F155-G162 WeakPolarHBondContact CA-O 3.27Å; C156-G162 PolarHBondContact N-O 3.2Å; C156-G162 CarbonylContact O-C 3.59Å; G159-G162 PolarHBondContact O-N 3.2Å; I160-G162 VanDerWaalsContact C-N 3.34Å; G162-I164 PolarHBondContact O-N 3.37Å
163D93.4Very high95.1Very high35 Ų3551.6 Ų51.619%0.18730%0.3CS..  trans-63.1128.7179-170.5-20.1000111.4N165 V166D163-N165 PolarHBondContact O-N 3.08Å; D163-N165 WeakPolarHBondContact OD1-CB 3.05Å; D163-N165 PolarHBondContact OD1-N 2.95Å; D163-N165 PolarHBondContact OD1-ND2 3.27Å; D163-V166 HydrophobicContact CB-CG2 4.25Å; D163-V166 PolarHBondContact O-N 3.32Å
164I94.8Very high94.9Very high20 Ų2049.1 Ų49.110%0.10329%0.289CS..Hα-helixtrans-57.2-32.3177.6-167.563000112.4M103 F146 F155 G162 V166 T167 L168 W190M103-I164 HydrophobicContact CE-CD1 4.01Å; F146-I164 HydrophobicContact CZ-CD1 4.47Å; F155-I164 HydrophobicContact CB-CB 4.17Å; F155-I164 HydrophobicContact CD1-CD1 3.78Å; F155-I164 HydrophobicContact CE1-CD1 4.06Å; F155-I164 HydrophobicContact CG-CD1 4.23Å; F155-I164 PolarHBondContact O-N 2.85Å; G162-I164 PolarHBondContact O-N 3.37Å; I164-V166 PolarHBondContact O-N 3.37Å; I164-T167 WeakPolarHBondContact O-CA 3.42Å; I164-T167 WeakPolarHBondContact O-CB 3.48Å; I164-T167 PolarHBondContact O-N 3.42Å; I164-L168 HydrophobicContact CD1-CG 4.35Å; I164-L168 HydrophobicContact CG1-CD1 3.88Å; I164-L168 HydrophobicContact CG1-CG 4.04Å; I164-L168 WeakPolarHBondContact O-CG 3.44Å; I164-L168 PolarHBondContact O-N 3.46Å; I164-W190 HydrophobicContact CB-CH2 4.15Å; I164-W190 HydrophobicContact CD1-CH2 3.96Å; I164-W190 HydrophobicContact CD1-CZ3 4.36Å; I164-W190 HydrophobicContact CG1-CH2 3.86Å
165N93.9Very high94.8Very high47 Ų4747.8 Ų47.825%0.25128%0.282SS..Hα-helixtrans-63.5-34.1-177.5-60.3-46000111.3D163 L168 W169 V248 S260D163-N165 PolarHBondContact O-N 3.08Å; D163-N165 WeakPolarHBondContact OD1-CB 3.05Å; D163-N165 PolarHBondContact OD1-N 2.95Å; D163-N165 PolarHBondContact OD1-ND2 3.27Å; N165-L168 PolarHBondContact O-N 3.22Å; N165-W169 PolarHBondContact O-N 3.01Å; N165-V248 HydrophobicContact CB-CG2 3.83Å; N165-S260 VanDerWaalsContact CG-O 3.25Å; N165-S260 PolarHBondContact OD1-O 2.98Å
166V94.7Very high94.7Very high81 Ų8147.2 Ų47.249%0.49128%0.28SS..Hα-helixtrans-64.7-40.9172.7-1790000111.5D163 I164 L168 V248 L256D163-V166 HydrophobicContact CB-CG2 4.25Å; D163-V166 PolarHBondContact O-N 3.32Å; I164-V166 PolarHBondContact O-N 3.37Å; V166-L168 VanDerWaalsContact C-N 3.35Å; V166-V248 HydrophobicContact CB-CG1 4.39Å; V166-V248 HydrophobicContact CG2-CG1 4.02Å; V166-L256 HydrophobicContact CG2-CD1 3.96Å
167T95.6Very high94.9Very high25 Ų2546.9 Ų46.915%0.15327%0.274CS..Hα-helixtrans-67.8-36.2179.2-61.40000111.8M103 F106 I164 P170M103-T167 HydrophobicContact CE-CG2 3.96Å; F106-T167 HydrophobicContact CB-CG2 3.93Å; F106-T167 HydrophobicContact CD1-CG2 4.22Å; F106-T167 VanDerWaalsContact O-CG2 3.25Å; F106-T167 WeakPolarHBondContact O-CG2 3.38Å; I164-T167 WeakPolarHBondContact O-CA 3.42Å; I164-T167 WeakPolarHBondContact O-CB 3.48Å; I164-T167 PolarHBondContact O-N 3.42Å; T167-P170 WeakPolarHBondContact O-CD 3.33Å
168L96.8Very high95Very high2 Ų243.6 Ų43.61%0.0125%0.248CC..Hα-helixtrans-85.9-21.5-175.8-63.6-178.8000114L144 F146 I164 N165 V166 L171 Q172 P186L144-L168 HydrophobicContact CD1-CD2 4.3Å; F146-L168 HydrophobicContact CE1-CD1 4.14Å; F146-L168 HydrophobicContact CE1-CD2 3.77Å; F146-L168 HydrophobicContact CZ-CD1 4.03Å; F146-L168 HydrophobicContact CZ-CD2 3.68Å; F146-L168 HydrophobicContact CZ-CG 4.4Å; I164-L168 HydrophobicContact CD1-CG 4.35Å; I164-L168 HydrophobicContact CG1-CD1 3.88Å; I164-L168 HydrophobicContact CG1-CG 4.04Å; I164-L168 WeakPolarHBondContact O-CG 3.44Å; I164-L168 PolarHBondContact O-N 3.46Å; N165-L168 PolarHBondContact O-N 3.22Å; V166-L168 VanDerWaalsContact C-N 3.35Å; L168-L171 PolarHBondContact O-N 3.32Å; L168-Q172 HydrophobicContact CB-CG 4.33Å; L168-Q172 VanDerWaalsContact CB-OE1 3.29Å; L168-Q172 PolarHBondContact O-N 3.43Å; L168-P186 HydrophobicContact CD1-CB 4.06Å; L168-P186 HydrophobicContact CD1-CG 3.67Å
169W96.3Very high94.9Very high41 Ų4136.2 Ų36.216%0.15521%0.21CC..Hα-helixtrans-49.8-47.1-178.8179.3-99.1000114.3N165 L171 Q172 N173 G174 F222 S247 V248 G249N165-W169 PolarHBondContact O-N 3.01Å; W169-L171 PolarHBondContact O-N 3.12Å; W169-Q172 PolarHBondContact O-N 3.27Å; W169-N173 HydrophobicContact CD2-CB 3.69Å; W169-N173 HydrophobicContact CE3-CB 3.87Å; W169-N173 HydrophobicContact CG-CB 4.36Å; W169-N173 HydrophobicContact CH2-CB 3.83Å; W169-N173 HydrophobicContact CZ2-CB 3.63Å; W169-N173 HydrophobicContact CZ3-CB 3.94Å; W169-N173 WeakPolarHBondContact O-CA 3.34Å; W169-N173 VanDerWaalsContact O-CB 3.3Å; W169-N173 WeakPolarHBondContact O-CB 3.44Å; W169-N173 PolarHBondContact O-N 3.33Å; W169-G174 PolarHBondContact O-N 2.99Å; W169-F222 HydrophobicContact CH2-CD1 4.15Å; W169-F222 AromaticContact CZ3-CD1 3.96Å; W169-F222 HydrophobicContact CZ3-CD1 3.96Å; W169-F222 HydrophobicContact CZ3-CE1 4.04Å; W169-S247 VanDerWaalsContact CH2-OG 3.22Å; W169-S247 WeakPolarHBondContact CH2-OG 3.39Å; W169-V248 HydrophobicContact CB-CB 4.12Å; W169-V248 HydrophobicContact CB-CG1 3.86Å; W169-V248 HydrophobicContact CD2-CB 3.87Å; W169-V248 HydrophobicContact CD2-CG1 4.41Å; W169-V248 HydrophobicContact CE3-CB 3.62Å; W169-V248 HydrophobicContact CE3-CG2 4.16Å; W169-V248 HydrophobicContact CG-CB 4.11Å; W169-V248 HydrophobicContact CG-CG1 4.13Å; W169-V248 HydrophobicContact CZ3-CB 4.29Å; W169-G249 VanDerWaalsContact CE2-CA 3.42Å; W169-G249 VanDerWaalsContact CE2-N 3.35Å
170P97Very high94.5Very high78 Ų7836 Ų3651%0.50621%0.208SC..Hα-helixtrans-62.7-29178.9-23.135.4000113.9T167 G174 I175T167-P170 WeakPolarHBondContact O-CD 3.33Å; P170-G174 CarbonylContact O-C 3.1Å; P170-G174 WeakPolarHBondContact O-CA 3.28Å; P170-G174 PolarHBondContact O-N 3.28Å; P170-I175 PolarHBondContact O-N 2.88Å
171L97.2Very high94.3Very high19 Ų1929.2 Ų29.210%0.09917%0.173CC..Hα-helixtrans-83.7-49.2178.8-60.4176.6000110.9V108 L144 L168 W169 I175 L176V108-L171 HydrophobicContact CG1-CD1 3.87Å; V108-L171 HydrophobicContact CG1-CD2 4Å; L144-L171 HydrophobicContact CD1-CB 3.89Å; L144-L171 HydrophobicContact CD1-CD1 4.21Å; L168-L171 PolarHBondContact O-N 3.32Å; W169-L171 PolarHBondContact O-N 3.12Å; L171-I175 HydrophobicContact CD2-CD1 3.71Å; L171-I175 WeakPolarHBondContact O-CB 3.48Å; L171-I175 PolarHBondContact O-N 3.3Å; L171-L176 PolarHBondContact O-N 3.36Å
172Q96.9Very high94.2Very high3 Ų330.6 Ų30.61%0.01418%0.178CC..Iπ-helixtrans-71.9-51.5-176.3-68.4177.8-55.400111.4L144 L168 W169 H177 V183 F222L144-Q172 HydrophobicContact CD1-CG 3.73Å; L168-Q172 HydrophobicContact CB-CG 4.33Å; L168-Q172 VanDerWaalsContact CB-OE1 3.29Å; L168-Q172 PolarHBondContact O-N 3.43Å; W169-Q172 PolarHBondContact O-N 3.27Å; Q172-H177 WeakPolarHBondContact O-CB 3.46Å; Q172-H177 PolarHBondContact O-N 3.41Å; Q172-V183 HydrophobicContact CB-CG1 4.09Å; Q172-V183 HydrophobicContact CG-CG1 3.99Å; Q172-F222 HydrophobicContact CB-CZ 4.29Å
173N94.7Very high94.3Very high18 Ų1829.3 Ų29.310%0.09617%0.165CC..Iπ-helixtrans-79.1-53.1177.2-175.879000111.5Y132 W169 I175 Y178 F222Y132-N173 PolarHBondContact OH-ND2 3.05Å; W169-N173 HydrophobicContact CD2-CB 3.69Å; W169-N173 HydrophobicContact CE3-CB 3.87Å; W169-N173 HydrophobicContact CG-CB 4.36Å; W169-N173 HydrophobicContact CH2-CB 3.83Å; W169-N173 HydrophobicContact CZ2-CB 3.63Å; W169-N173 HydrophobicContact CZ3-CB 3.94Å; W169-N173 WeakPolarHBondContact O-CA 3.34Å; W169-N173 VanDerWaalsContact O-CB 3.3Å; W169-N173 WeakPolarHBondContact O-CB 3.44Å; W169-N173 PolarHBondContact O-N 3.33Å; N173-I175 PolarHBondContact O-N 3.25Å; N173-Y178 WeakPolarHBondContact O-CB 3.47Å; N173-Y178 PolarHBondContact O-N 2.95Å; N173-F222 HydrophobicContact CB-CD1 4.23Å; N173-F222 HydrophobicContact CB-CE1 3.91Å
174G93.7Very high94.6Very high35 Ų3527.7 Ų27.736%0.36116%0.156SC..Iπ-helixtrans-75.6-16.1-167.900000116W169 P170W169-G174 PolarHBondContact O-N 2.99Å; P170-G174 CarbonylContact O-C 3.1Å; P170-G174 WeakPolarHBondContact O-CA 3.28Å; P170-G174 PolarHBondContact O-N 3.28Å
175I94.4Very high94.7Very high28 Ų2828.4 Ų28.414%0.14416%0.162CC..Iπ-helixtrans-118.2-61.9175.8-56.2177.2000109.7F116 L120 P170 L171 N173 C179F116-I175 HydrophobicContact CD1-CG2 3.87Å; F116-I175 HydrophobicContact CD2-CD1 4Å; F116-I175 HydrophobicContact CD2-CG2 4.47Å; F116-I175 HydrophobicContact CE1-CG2 4.12Å; F116-I175 HydrophobicContact CE2-CD1 4.3Å; F116-I175 HydrophobicContact CG-CD1 4.45Å; F116-I175 HydrophobicContact CG-CG2 4.08Å; L120-I175 HydrophobicContact CD1-CG2 3.59Å; P170-I175 PolarHBondContact O-N 2.88Å; L171-I175 HydrophobicContact CD2-CD1 3.71Å; L171-I175 WeakPolarHBondContact O-CB 3.48Å; L171-I175 PolarHBondContact O-N 3.3Å; N173-I175 PolarHBondContact O-N 3.25Å; I175-C179 WeakPolarHBondContact O-CB 3.38Å; I175-C179 PolarHBondContact O-N 2.78Å; I175-C179 PolarHBondContact O-SG 2.93Å
176L94.8Very high94.9Very high2 Ų227.7 Ų27.71%0.0116%0.16CC..Iπ-helixtrans-71-56.8-170.4-56.9-178000112.1F99 A142 L144 L171 Y178 C179 G180 F181 V183F99-L176 HydrophobicContact CD2-CD2 4.23Å; F99-L176 HydrophobicContact CE2-CD1 4.48Å; F99-L176 HydrophobicContact CE2-CD2 3.51Å; F99-L176 HydrophobicContact CZ-CD2 4.04Å; A142-L176 HydrophobicContact CB-CD1 4.01Å; A142-L176 HydrophobicContact CB-CD2 4.3Å; L144-L176 HydrophobicContact CD2-CD1 3.93Å; L144-L176 HydrophobicContact CG-CD1 4.15Å; L171-L176 PolarHBondContact O-N 3.36Å; L176-Y178 VanDerWaalsContact C-N 3.31Å; L176-Y178 PolarHBondContact O-N 3.15Å; L176-C179 PolarHBondContact O-N 3.07Å; L176-G180 PolarHBondContact O-N 3.17Å; L176-F181 HydrophobicContact CB-CB 4.26Å; L176-F181 HydrophobicContact CB-CD2 4.27Å; L176-F181 HydrophobicContact CD2-CD2 4.27Å; L176-F181 WeakPolarHBondContact O-CB 3.32Å; L176-F181 WeakPolarHBondContact O-CD2 3.34Å; L176-F181 PolarHBondContact O-N 2.91Å; L176-V183 HydrophobicContact CB-CG2 3.69Å; L176-V183 HydrophobicContact CD1-CG1 4.01Å
177H93.1Very high95.1Very high37 Ų3724.6 Ų24.617%0.17114%0.14CC..Iπ-helixtrans-66.6-34.9180-171.353.7000111.9Y132 Q172 C179 G180 V183 F222Y132-H177 AromaticContact CD1-CD2 3.67Å; Y132-H177 AromaticContact CE1-CD2 4Å; Q172-H177 WeakPolarHBondContact O-CB 3.46Å; Q172-H177 PolarHBondContact O-N 3.41Å; H177-C179 PolarHBondContact O-N 3.39Å; H177-G180 WeakPolarHBondContact O-CA 3.45Å; H177-G180 PolarHBondContact O-N 3.46Å; H177-V183 HydrophobicContact CB-CG2 4.09Å; H177-F222 HydrophobicContact CB-CD1 4.37Å; H177-F222 HydrophobicContact CB-CD2 4.19Å; H177-F222 HydrophobicContact CB-CE1 4.26Å; H177-F222 HydrophobicContact CB-CE2 4.06Å; H177-F222 HydrophobicContact CB-CG 4.35Å; H177-F222 HydrophobicContact CB-CZ 4.1Å; H177-F222 AromaticContact CD2-CD1 3.87Å; H177-F222 AromaticContact CD2-CD2 3.89Å; H177-F222 AromaticContact CD2-CG 3.49Å; H177-F222 VanDerWaalsContact CD2-CG 3.49Å; H177-F222 WeakPolarHBondContact CD2-CG 3.43Å; H177-F222 AromaticContact CE1-CD2 3.82Å; H177-F222 AromaticContact CE1-CG 3.97Å; H177-F222 AromaticContact CG-CD2 3.6Å; H177-F222 AromaticContact CG-CE2 3.97Å; H177-F222 AromaticContact CG-CG 3.67Å; H177-F222 AromaticContact ND1-CD2 3.55Å; H177-F222 AromaticContact ND1-CG 3.96Å; H177-F222 VanDerWaalsContact NE2-CB 3.32Å; H177-F222 WeakPolarHBondContact NE2-CB 3.34Å; H177-F222 AromaticContact NE2-CG 3.7Å
178Y90.6Very high95.2Very high57 Ų5724.3 Ų24.322%0.22414%0.138CC..THydrogen-bonded Turntrans-56.9-37.5173.1-173.8-98.4000112.8F126 P131 Y132 N173 L176 G180F126-Y178 HydrophobicContact CB-CD1 3.93Å; F126-Y178 HydrophobicContact CB-CE1 3.49Å; F126-Y178 VanDerWaalsContact CB-CE1 3.49Å; F126-Y178 AromaticContact CD2-CE1 3.68Å; F126-Y178 HydrophobicContact CD2-CE1 3.68Å; F126-Y178 HydrophobicContact CG-CD1 4.38Å; F126-Y178 AromaticContact CG-CE1 3.67Å; F126-Y178 HydrophobicContact CG-CE1 3.67Å; P131-Y178 HydrophobicContact CB-CD2 4.47Å; P131-Y178 HydrophobicContact CB-CE2 3.57Å; Y132-Y178 WeakPolarHBondContact CA-O 3.46Å; Y132-Y178 VanDerWaalsContact CD1-CA 3.49Å; Y132-Y178 HydrophobicContact CD1-CD2 4.17Å; Y132-Y178 HydrophobicContact CD2-CD2 4.04Å; Y132-Y178 HydrophobicContact CD2-CE2 4.36Å; Y132-Y178 AromaticContact CE1-CD2 3.91Å; Y132-Y178 HydrophobicContact CE1-CD2 3.91Å; Y132-Y178 AromaticContact CE2-CD2 3.78Å; Y132-Y178 HydrophobicContact CE2-CD2 3.78Å; Y132-Y178 HydrophobicContact CE2-CE2 4.14Å; Y132-Y178 HydrophobicContact CG-CD2 4.21Å; Y132-Y178 AromaticContact CZ-CD2 3.71Å; Y132-Y178 PolarHBondContact N-O 3.31Å; N173-Y178 WeakPolarHBondContact O-CB 3.47Å; N173-Y178 PolarHBondContact O-N 2.95Å; L176-Y178 VanDerWaalsContact C-N 3.31Å; L176-Y178 PolarHBondContact O-N 3.15Å; Y178-G180 PolarHBondContact O-N 3.09Å
179C89.2Confident95.3Very high2 Ų224.2 Ų24.21%0.01414%0.138CC..THydrogen-bonded Turntrans-80-2.4173.5-69.30000114D125 L137 I175 L176 H177 F181D125-C179 HydrophobicContact CB-CB 4.49Å; D125-C179 VanDerWaalsContact O-CA 3.22Å; D125-C179 WeakPolarHBondContact O-CA 3.3Å; D125-C179 VanDerWaalsContact O-CB 3.31Å; D125-C179 WeakPolarHBondContact O-CB 3.48Å; D125-C179 PolarHBondContact O-SG 2.9Å; L137-C179 WeakPolarHBondContact CB-O 3.33Å; L137-C179 HydrophobicContact CD1-CB 3.68Å; I175-C179 WeakPolarHBondContact O-CB 3.38Å; I175-C179 PolarHBondContact O-N 2.78Å; I175-C179 PolarHBondContact O-SG 2.93Å; L176-C179 PolarHBondContact O-N 3.07Å; H177-C179 PolarHBondContact O-N 3.39Å; C179-F181 HydrophobicContact CB-CD2 4.32Å
180G89Confident95.4Very high12 Ų1224 Ų2412%0.12414%0.137CC..THydrogen-bonded Turntrans99.8-3177.400000115.2K138 L176 H177 Y178K138-G180 VanDerWaalsContact CA-O 3.27Å; K138-G180 WeakPolarHBondContact CA-O 3.45Å; L176-G180 PolarHBondContact O-N 3.17Å; H177-G180 WeakPolarHBondContact O-CA 3.45Å; H177-G180 PolarHBondContact O-N 3.46Å; Y178-G180 PolarHBondContact O-N 3.09Å
181F93.1Very high95.4Very high3 Ų320.5 Ų20.51%0.01311%0.114CC..  trans-59.9144-177.9-76.3-74.8000113L91 V97 L137 K140 A142 L176 C179 V183L91-F181 HydrophobicContact CD2-CZ 4.32Å; V97-F181 HydrophobicContact CB-CE1 4.49Å; V97-F181 HydrophobicContact CG2-CE1 3.86Å; V97-F181 HydrophobicContact CG2-CZ 4.07Å; L137-F181 HydrophobicContact CB-CD1 4.34Å; L137-F181 HydrophobicContact CB-CD2 4.48Å; L137-F181 HydrophobicContact CB-CE1 4.24Å; L137-F181 HydrophobicContact CB-CE2 4.39Å; L137-F181 HydrophobicContact CB-CG 4.46Å; L137-F181 HydrophobicContact CB-CZ 4.27Å; L137-F181 HydrophobicContact CD1-CD2 3.98Å; L137-F181 HydrophobicContact CD1-CE1 4.42Å; L137-F181 HydrophobicContact CD1-CE2 3.37Å; L137-F181 HydrophobicContact CD1-CZ 3.63Å; L137-F181 HydrophobicContact CD2-CE1 4.46Å; L137-F181 HydrophobicContact CD2-CZ 4.11Å; L137-F181 HydrophobicContact CG-CE2 4.34Å; L137-F181 HydrophobicContact CG-CZ 4.21Å; K140-F181 HydrophobicContact CB-CD1 3.78Å; K140-F181 HydrophobicContact CB-CE1 3.7Å; K140-F181 HydrophobicContact CD-CE1 4.28Å; A142-F181 HydrophobicContact CB-CB 3.83Å; A142-F181 HydrophobicContact CB-CD1 3.58Å; A142-F181 HydrophobicContact CB-CD2 4.14Å; A142-F181 HydrophobicContact CB-CE1 4.12Å; A142-F181 HydrophobicContact CB-CG 3.6Å; L176-F181 HydrophobicContact CB-CB 4.26Å; L176-F181 HydrophobicContact CB-CD2 4.27Å; L176-F181 HydrophobicContact CD2-CD2 4.27Å; L176-F181 WeakPolarHBondContact O-CB 3.32Å; L176-F181 WeakPolarHBondContact O-CD2 3.34Å; L176-F181 PolarHBondContact O-N 2.91Å; C179-F181 HydrophobicContact CB-CD2 4.32Å; F181-V183 HydrophobicContact CB-CG2 4.41Å; F181-V183 PolarHBondContact O-N 3.42Å
182Q94.9Very high95.4Very high70 Ų7020 Ų2033%0.32711%0.112SC..EExtended strand (participates in β ladder)trans-75.3101.5158.8-66.5174.627.400108.6K138 K140 K141 A142 L184 P219K138-Q182 PolarHBondContact O-NE2 2.97Å; K140-Q182 PolarHBondContact O-N 3.14Å; K141-Q182 CarbonylContact C-O 3.36Å; K141-Q182 VanDerWaalsContact CA-O 3.24Å; K141-Q182 WeakPolarHBondContact CA-O 3.15Å; K141-Q182 HydrophobicContact CG-CB 4.01Å; A142-Q182 PolarHBondContact N-O 2.8Å; Q182-L184 PolarHBondContact O-N 3.31Å; Q182-P219 HydrophobicContact CB-CB 4.12Å; Q182-P219 HydrophobicContact CB-CG 3.78Å; Q182-P219 HydrophobicContact CG-CG 4.38Å
183V97.2Very high95.4Very high1 Ų124.1 Ų24.11%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-83.4117.2-172.8-168.80000110.2A142 Q172 L176 H177 F181 P219 L220 F222A142-V183 CarbonylContact O-C 3.58Å; A142-V183 WeakPolarHBondContact O-CA 3.44Å; Q172-V183 HydrophobicContact CB-CG1 4.09Å; Q172-V183 HydrophobicContact CG-CG1 3.99Å; L176-V183 HydrophobicContact CB-CG2 3.69Å; L176-V183 HydrophobicContact CD1-CG1 4.01Å; H177-V183 HydrophobicContact CB-CG2 4.09Å; F181-V183 HydrophobicContact CB-CG2 4.41Å; F181-V183 PolarHBondContact O-N 3.42Å; V183-P219 CarbonylContact O-C 3.31Å; V183-P219 WeakPolarHBondContact O-CA 3.48Å; V183-L220 HydrophobicContact CG1-CD1 4.41Å; V183-L220 WeakPolarHBondContact O-CB 3.38Å; V183-L220 PolarHBondContact O-N 3.04Å; V183-F222 HydrophobicContact CB-CE2 3.77Å; V183-F222 HydrophobicContact CB-CZ 3.94Å; V183-F222 HydrophobicContact CG2-CE2 3.75Å; V183-F222 HydrophobicContact CG2-CZ 3.9Å
184L98.3Very high95.5Very high0 Ų029.4 Ų29.40%017%0.174CC..PPolyproline II helixtrans-74.7155.1173.5-64.3-179.2000111.1L96 K141 A142 M143 Q182 L214 E217 P219L96-L184 HydrophobicContact CD1-CD1 4Å; K141-L184 HydrophobicContact CB-CD1 4.27Å; K141-L184 HydrophobicContact CB-CG 4.27Å; K141-L184 HydrophobicContact CD-CD1 4.38Å; K141-L184 HydrophobicContact CD-CD2 4.05Å; K141-L184 HydrophobicContact CD-CG 4.43Å; K141-L184 HydrophobicContact CG-CD2 4.49Å; A142-L184 PolarHBondContact O-N 2.96Å; M143-L184 HydrophobicContact CB-CB 4.04Å; M143-L184 HydrophobicContact CB-CD1 4.42Å; M143-L184 HydrophobicContact CG-CB 4.03Å; Q182-L184 PolarHBondContact O-N 3.31Å; L184-L214 HydrophobicContact CD1-CD1 3.72Å; L184-L214 HydrophobicContact CD1-CG 4.1Å; L184-E217 HydrophobicContact CD2-CB 4.16Å; L184-E217 WeakPolarHBondContact CD2-O 3.45Å; L184-P219 HydrophobicContact CD2-CG 4.39Å
185P97.4Very high95.5Very high36 Ų3629.8 Ų29.823%0.23417%0.17CC..PPolyproline II helixtrans-51.3143.2170.6-24.732.9000111.3M143 R210 E217 L220M143-P185 VanDerWaalsContact CG-O 3.3Å; M143-P185 WeakPolarHBondContact CG-O 3.49Å; P185-R210 PolarHBondContact O-NH2 2.96Å; P185-E217 WeakPolarHBondContact CD-OE1 3.44Å; P185-L220 HydrophobicContact CB-CD2 4.25Å; P185-L220 HydrophobicContact CG-CD2 3.93Å; P185-L220 HydrophobicContact CG-CG 4.38Å
186P98.1Very high95.6Very high32 Ų3231.1 Ų31.121%0.20819%0.185CC..PPolyproline II helixtrans-70.5153.3-17730.9-35.5000111.6L144 F146 L168 V188 R210L144-P186 HydrophobicContact CB-CB 4.4Å; L144-P186 CarbonylContact O-C 3.59Å; L144-P186 VanDerWaalsContact O-CA 3.27Å; L144-P186 WeakPolarHBondContact O-CA 3.49Å; F146-P186 HydrophobicContact CE1-CB 3.95Å; L168-P186 HydrophobicContact CD1-CB 4.06Å; L168-P186 HydrophobicContact CD1-CG 3.67Å; P186-V188 HydrophobicContact CB-CG2 4.17Å; P186-V188 HydrophobicContact CG-CG2 4.22Å; P186-R210 PolarHBondContact O-NH1 3.3Å
187E98.6Very high95.7Very high16 Ų1633.6 Ų33.68%0.07521%0.206CC..EExtended strand (participates in β ladder)trans-97.2112.5162.9-178.565.9-160.800108.7M143 L144 S145 F146 F189 W207 R210M143-E187 HydrophobicContact CE-CB 4.37Å; M143-E187 HydrophobicContact SD-CB 4.47Å; L144-E187 PolarHBondContact O-N 3.4Å; S145-E187 CarbonylContact C-O 3.51Å; S145-E187 WeakPolarHBondContact CA-O 3.5Å; F146-E187 PolarHBondContact N-O 3.12Å; E187-F189 HydrophobicContact CG-CD2 4.43Å; E187-F189 HydrophobicContact CG-CE1 4.09Å; E187-F189 HydrophobicContact CG-CE2 3.76Å; E187-F189 HydrophobicContact CG-CZ 3.56Å; E187-W207 HydrophobicContact CB-CE3 4.19Å; E187-W207 HydrophobicContact CB-CZ3 4.15Å; E187-W207 HydrophobicContact CG-CD2 4.16Å; E187-W207 HydrophobicContact CG-CE3 3.67Å; E187-W207 HydrophobicContact CG-CZ3 4.15Å; E187-R210 WeakPolarHBondContact OE2-CD 3.06Å; E187-R210 IonicContact OE2-CZ 3.32Å; E187-R210 IonicContact OE2-NH1 2.84Å; E187-R210 PolarHBondContact OE2-NH1 3.12Å
188V98.4Very high95.9Very high19 Ų1934.7 Ų34.712%0.11522%0.221CC..EExtended strand (participates in β ladder)trans-109.7118.1-179.2-165.40000111.3F146 T148 P186 W190F146-V188 HydrophobicContact CD2-CG1 4.2Å; F146-V188 HydrophobicContact CE1-CG2 3.8Å; F146-V188 HydrophobicContact CE2-CB 4.34Å; F146-V188 HydrophobicContact CE2-CG1 3.56Å; F146-V188 HydrophobicContact CE2-CG2 4.02Å; F146-V188 HydrophobicContact CZ-CB 4.21Å; F146-V188 HydrophobicContact CZ-CG1 3.88Å; F146-V188 HydrophobicContact CZ-CG2 3.41Å; F146-V188 VanDerWaalsContact CZ-CG2 3.41Å; T148-V188 HydrophobicContact CG2-CG1 3.85Å; P186-V188 HydrophobicContact CB-CG2 4.17Å; P186-V188 HydrophobicContact CG-CG2 4.22Å; V188-W190 HydrophobicContact CB-CD2 4.33Å; V188-W190 HydrophobicContact CB-CH2 4.43Å; V188-W190 HydrophobicContact CB-CZ2 3.94Å; V188-W190 HydrophobicContact CG1-CD2 3.57Å; V188-W190 HydrophobicContact CG1-CE3 3.65Å; V188-W190 HydrophobicContact CG1-CG 4.32Å; V188-W190 HydrophobicContact CG1-CH2 3.69Å; V188-W190 HydrophobicContact CG1-CZ2 3.61Å; V188-W190 HydrophobicContact CG1-CZ3 3.69Å; V188-W190 HydrophobicContact CG2-CZ2 4.33Å
189F98.6Very high96.2Very high0 Ų034.8 Ų34.80%023%0.226CC..EExtended strand (participates in β ladder)trans-95.197.4171.6-57.6-73.3000109.7F17 A21 S145 F146 T147 T148 E187 A191 P192 M203 W207F17-F189 HydrophobicContact CD1-CG 4.42Å; F17-F189 HydrophobicContact CE1-CB 3.83Å; F17-F189 AromaticContact CE1-CD1 3.57Å; F17-F189 HydrophobicContact CE1-CD1 3.57Å; F17-F189 AromaticContact CE1-CD2 3.96Å; F17-F189 HydrophobicContact CE1-CD2 3.96Å; F17-F189 HydrophobicContact CE1-CE1 4.05Å; F17-F189 HydrophobicContact CE1-CE2 4.39Å; F17-F189 AromaticContact CE1-CG 3.51Å; F17-F189 HydrophobicContact CE1-CG 3.51Å; F17-F189 HydrophobicContact CE1-CZ 4.43Å; F17-F189 AromaticContact CZ-CD1 3.89Å; F17-F189 HydrophobicContact CZ-CD1 3.89Å; F17-F189 HydrophobicContact CZ-CE1 4.3Å; F17-F189 HydrophobicContact CZ-CG 4.25Å; A21-F189 HydrophobicContact CB-CE2 3.83Å; A21-F189 HydrophobicContact CB-CZ 3.98Å; S145-F189 WeakPolarHBondContact OG-CE2 3.3Å; F146-F189 WeakPolarHBondContact O-CD2 3.27Å; F146-F189 PolarHBondContact O-N 3.35Å; T147-F189 WeakPolarHBondContact CA-O 3.47Å; T147-F189 HydrophobicContact CG2-CB 3.88Å; T147-F189 HydrophobicContact CG2-CD2 4.11Å; T147-F189 HydrophobicContact CG2-CG 4.37Å; T148-F189 PolarHBondContact N-O 3.03Å; E187-F189 HydrophobicContact CG-CD2 4.43Å; E187-F189 HydrophobicContact CG-CE1 4.09Å; E187-F189 HydrophobicContact CG-CE2 3.76Å; E187-F189 HydrophobicContact CG-CZ 3.56Å; F189-A191 PolarHBondContact O-N 2.75Å; F189-P192 VanDerWaalsContact O-CD 3.29Å; F189-P192 WeakPolarHBondContact O-CD 3.38Å; F189-M203 HydrophobicContact CD1-CB 4.04Å; F189-M203 HydrophobicContact CE1-CB 4.44Å; F189-W207 HydrophobicContact CE1-CB 3.92Å; F189-W207 HydrophobicContact CE1-CG 4.34Å; F189-W207 HydrophobicContact CZ-CB 3.84Å; F189-W207 AromaticContact CZ-CD1 3.97Å; F189-W207 HydrophobicContact CZ-CD2 4.25Å; F189-W207 AromaticContact CZ-CG 3.74Å; F189-W207 HydrophobicContact CZ-CG 3.74Å
190W98.2Very high96.6Very high37 Ų3738.7 Ų38.714%0.1424%0.24CC..  trans-72112.7-176.4-59.5118.1000113.1T148 E152 F155 I164 V188 M203T148-W190 HydrophobicContact CG2-CE3 3.67Å; T148-W190 HydrophobicContact CG2-CZ3 3.67Å; T148-W190 WeakPolarHBondContact OG1-CA 3.46Å; E152-W190 HydrophobicContact CB-CB 4.25Å; E152-W190 HydrophobicContact CB-CD2 3.69Å; E152-W190 HydrophobicContact CB-CE3 4.34Å; E152-W190 HydrophobicContact CB-CG 3.63Å; E152-W190 HydrophobicContact CB-CZ2 4.43Å; E152-W190 HydrophobicContact CG-CD2 4.13Å; E152-W190 HydrophobicContact CG-CG 4.31Å; E152-W190 HydrophobicContact CG-CZ2 4Å; E152-W190 PolarHBondContact OE1-NE1 2.7Å; F155-W190 HydrophobicContact CB-CH2 3.77Å; F155-W190 HydrophobicContact CB-CZ3 3.86Å; F155-W190 HydrophobicContact CD2-CE3 4.03Å; F155-W190 HydrophobicContact CD2-CH2 4.09Å; F155-W190 AromaticContact CD2-CZ3 3.29Å; F155-W190 HydrophobicContact CD2-CZ3 3.29Å; F155-W190 HydrophobicContact CE2-CE3 4.47Å; F155-W190 AromaticContact CE2-CZ3 3.85Å; F155-W190 HydrophobicContact CE2-CZ3 3.85Å; F155-W190 HydrophobicContact CG-CH2 4.08Å; F155-W190 AromaticContact CG-CZ3 3.74Å; F155-W190 HydrophobicContact CG-CZ3 3.74Å; I164-W190 HydrophobicContact CB-CH2 4.15Å; I164-W190 HydrophobicContact CD1-CH2 3.96Å; I164-W190 HydrophobicContact CD1-CZ3 4.36Å; I164-W190 HydrophobicContact CG1-CH2 3.86Å; V188-W190 HydrophobicContact CB-CD2 4.33Å; V188-W190 HydrophobicContact CB-CH2 4.43Å; V188-W190 HydrophobicContact CB-CZ2 3.94Å; V188-W190 HydrophobicContact CG1-CD2 3.57Å; V188-W190 HydrophobicContact CG1-CE3 3.65Å; V188-W190 HydrophobicContact CG1-CG 4.32Å; V188-W190 HydrophobicContact CG1-CH2 3.69Å; V188-W190 HydrophobicContact CG1-CZ2 3.61Å; V188-W190 HydrophobicContact CG1-CZ3 3.69Å; V188-W190 HydrophobicContact CG2-CZ2 4.33Å; W190-M203 VanDerWaalsContact O-CE 3.26Å; W190-M203 WeakPolarHBondContact O-CE 3.25Å
191A97.6Very high97.1Very high3 Ų345.6 Ų45.63%0.02527%0.267CS..  trans44.453174.400000116T148 F189 A193 L194T148-A191 VanDerWaalsContact O-CA 3.3Å; T148-A191 WeakPolarHBondContact O-CA 3.29Å; T148-A191 PolarHBondContact O-N 3.5Å; T148-A191 PolarHBondContact OG1-N 3.02Å; F189-A191 PolarHBondContact O-N 2.75Å; A191-A193 PolarHBondContact O-N 3.2Å; A191-L194 HydrophobicContact CB-CB 4.11Å; A191-L194 HydrophobicContact CB-CD1 4Å; A191-L194 HydrophobicContact CB-CG 4.1Å; A191-L194 PolarHBondContact O-N 3.13Å
192P97.7Very high97.3Very high8 Ų851.4 Ų51.45%0.05229%0.292CS..G310 helixtrans-58.2-26.5-179.323.9-34.8000113.3F17 T147 F189 L194 T195 R200 M203F17-P192 HydrophobicContact CB-CB 4.4Å; F17-P192 HydrophobicContact CB-CG 4.46Å; F17-P192 HydrophobicContact CD1-CB 4.11Å; F17-P192 HydrophobicContact CD1-CG 4.12Å; F17-P192 HydrophobicContact CD2-CB 3.85Å; F17-P192 HydrophobicContact CE1-CB 4.37Å; F17-P192 HydrophobicContact CE2-CB 4.11Å; F17-P192 HydrophobicContact CG-CB 3.84Å; F17-P192 HydrophobicContact CG-CG 4.15Å; F17-P192 HydrophobicContact CZ-CB 4.35Å; T147-P192 HydrophobicContact CG2-CG 3.93Å; F189-P192 VanDerWaalsContact O-CD 3.29Å; F189-P192 WeakPolarHBondContact O-CD 3.38Å; P192-L194 VanDerWaalsContact C-N 3.32Å; P192-T195 PolarHBondContact O-OG1 3.07Å; P192-T195 VanDerWaalsContact O-OG1 3.09Å; P192-R200 HydrophobicContact CB-CG 4.28Å; P192-R200 WeakPolarHBondContact O-CD 3.34Å; P192-R200 WeakPolarHBondContact O-CG 3.49Å; P192-R200 PolarHBondContact O-NH1 3.26Å; P192-M203 HydrophobicContact CB-SD 4.29Å
193A95.8Very high97.5Very high90 Ų9048.9 Ų48.974%0.74428%0.281SS*.G310 helixtrans-70.1-24.317600000113.7A191A191-A193 PolarHBondContact O-N 3.2Å
194L96.1Very high97.5Very high129 Ų12950.2 Ų50.268%0.67529%0.287SS*.G310 helixtrans-97.8-2-177.8-55.3-175.9000113.3A191 P192A191-L194 HydrophobicContact CB-CB 4.11Å; A191-L194 HydrophobicContact CB-CD1 4Å; A191-L194 HydrophobicContact CB-CG 4.1Å; A191-L194 PolarHBondContact O-N 3.13Å; P192-L194 VanDerWaalsContact C-N 3.32Å
195T95.2Very high97.6Very high44 Ų4452.6 Ų52.627%0.2731%0.307SS..SBendtrans-104.3163.9-174.455.20000112.6P192 R200 M203P192-T195 PolarHBondContact O-OG1 3.07Å; P192-T195 VanDerWaalsContact O-OG1 3.09Å; T195-R200 PolarHBondContact O-NH1 2.7Å; T195-M203 HydrophobicContact CG2-CE 4Å
196A96.1Very high97.6Very high55 Ų5557.2 Ų57.246%0.45532%0.32SS..  trans-71.1158.1175.500000111.5A198 D199 R200A196-A198 PolarHBondContact O-N 2.99Å; A196-D199 PolarHBondContact O-N 2.77Å; A196-R200 PolarHBondContact O-N 3.35Å
197A96.4Very high97.6Very high55 Ų5555.7 Ų55.746%0.45531%0.31SS..Hα-helixtrans-58.6-32.9177.900000113K201A197-K201 WeakPolarHBondContact O-CG 3.48Å; A197-K201 PolarHBondContact O-N 2.86Å; A197-K201 VanDerWaalsContact O-N 3.13Å
198A97.1Very high97.6Very high60 Ų6059.1 Ų59.150%0.49632%0.322SS..Hα-helixtrans-64.3-39.7175.300000112A196 K201 K202A196-A198 PolarHBondContact O-N 2.99Å; A198-K201 WeakPolarHBondContact O-CB 3.3Å; A198-K201 PolarHBondContact O-N 2.84Å; A198-K202 WeakPolarHBondContact O-CG 3.33Å; A198-K202 PolarHBondContact O-N 3.42Å
199D96.9Very high97.6Very high59 Ų5962.8 Ų62.832%0.31635%0.345SS..Hα-helixtrans-75.8-36.4-178.9-59.4-44.6000111.8A196 K201 K202 M203A196-D199 PolarHBondContact O-N 2.77Å; D199-K201 VanDerWaalsContact C-N 3.27Å; D199-K201 PolarHBondContact O-N 3.2Å; D199-K202 WeakPolarHBondContact O-CB 3.17Å; D199-K202 PolarHBondContact O-N 3.05Å; D199-K202 VanDerWaalsContact O-N 3.09Å; D199-K202 IonicContact OD1-NZ 3Å; D199-K202 PolarHBondContact OD1-NZ 2.83Å; D199-M203 WeakPolarHBondContact O-CG 3.3Å; D199-M203 PolarHBondContact O-N 2.94Å
200R98.3Very high97.6Very high84 Ų8465 Ų6532%0.31735%0.353SS..Hα-helixtrans-56.1-41.3167.4-75.9-165-67-79.80112.3F17 P192 T195 A196 M203 L204F17-R200 HydrophobicContact CD2-CB 4.35Å; F17-R200 HydrophobicContact CD2-CG 4.18Å; F17-R200 HydrophobicContact CE2-CB 3.89Å; F17-R200 HydrophobicContact CE2-CG 4.01Å; P192-R200 HydrophobicContact CB-CG 4.28Å; P192-R200 WeakPolarHBondContact O-CD 3.34Å; P192-R200 WeakPolarHBondContact O-CG 3.49Å; P192-R200 PolarHBondContact O-NH1 3.26Å; T195-R200 PolarHBondContact O-NH1 2.7Å; A196-R200 PolarHBondContact O-N 3.35Å; R200-M203 WeakPolarHBondContact O-CB 3.32Å; R200-M203 PolarHBondContact O-N 3.04Å; R200-L204 WeakPolarHBondContact O-CG 3.44Å; R200-L204 PolarHBondContact O-N 3.36Å; R200-L204 VanDerWaalsContact O-N 3.12Å
201K98.1Very high97.6Very high156 Ų15663.3 Ų63.368%0.67835%0.347SS*.Hα-helixtrans-64.6-40.2175.1-73.2177.1-179.3-175.20111.9A197 A198 D199 L204 A205A197-K201 WeakPolarHBondContact O-CG 3.48Å; A197-K201 PolarHBondContact O-N 2.86Å; A197-K201 VanDerWaalsContact O-N 3.13Å; A198-K201 WeakPolarHBondContact O-CB 3.3Å; A198-K201 PolarHBondContact O-N 2.84Å; D199-K201 VanDerWaalsContact C-N 3.27Å; D199-K201 PolarHBondContact O-N 3.2Å; K201-L204 PolarHBondContact O-N 3.09Å; K201-A205 WeakPolarHBondContact O-CB 3.49Å; K201-A205 PolarHBondContact O-N 2.91Å
202K98.3Very high97.6Very high126 Ų12667.6 Ų67.655%0.54837%0.366SS..Hα-helixtrans-62.5-43.7174.9-67.1173.1-167.3158.80111.7A198 D199 L204 A205 R206A198-K202 WeakPolarHBondContact O-CG 3.33Å; A198-K202 PolarHBondContact O-N 3.42Å; D199-K202 WeakPolarHBondContact O-CB 3.17Å; D199-K202 PolarHBondContact O-N 3.05Å; D199-K202 VanDerWaalsContact O-N 3.09Å; D199-K202 IonicContact OD1-NZ 3Å; D199-K202 PolarHBondContact OD1-NZ 2.83Å; K202-L204 PolarHBondContact O-N 3.29Å; K202-A205 WeakPolarHBondContact O-CB 3.44Å; K202-A205 PolarHBondContact O-N 2.99Å; K202-R206 WeakPolarHBondContact O-CG 3.47Å; K202-R206 PolarHBondContact O-N 2.83Å
203M98.6Very high97.5Very high17 Ų1772.9 Ų72.98%0.08439%0.394CS..Hα-helixtrans-55.7-50.6175.6-70.2170.2179.400111.4F17 F189 W190 P192 T195 D199 R200 A205 R206 W207F17-M203 HydrophobicContact CZ-CB 3.92Å; F17-M203 HydrophobicContact CZ-SD 4.24Å; F189-M203 HydrophobicContact CD1-CB 4.04Å; F189-M203 HydrophobicContact CE1-CB 4.44Å; W190-M203 VanDerWaalsContact O-CE 3.26Å; W190-M203 WeakPolarHBondContact O-CE 3.25Å; P192-M203 HydrophobicContact CB-SD 4.29Å; T195-M203 HydrophobicContact CG2-CE 4Å; D199-M203 WeakPolarHBondContact O-CG 3.3Å; D199-M203 PolarHBondContact O-N 2.94Å; R200-M203 WeakPolarHBondContact O-CB 3.32Å; R200-M203 PolarHBondContact O-N 3.04Å; M203-A205 VanDerWaalsContact C-N 3.3Å; M203-A205 PolarHBondContact O-N 2.66Å; M203-R206 PolarHBondContact O-N 2.97Å; M203-W207 PolarHBondContact O-N 3.24Å
204L98.7Very high97.5Very high29 Ų2968.6 Ų68.615%0.15236%0.358CS..Hα-helixtrans-65.8-31.3178-67.1175.9000112.9F17 A20 A21 I24 R200 K201 K202 R208F17-L204 HydrophobicContact CE1-CD2 3.92Å; F17-L204 HydrophobicContact CE2-CD1 4.07Å; F17-L204 HydrophobicContact CE2-CD2 3.89Å; F17-L204 HydrophobicContact CE2-CG 3.73Å; F17-L204 HydrophobicContact CZ-CD1 4.49Å; F17-L204 HydrophobicContact CZ-CD2 3.51Å; F17-L204 HydrophobicContact CZ-CG 3.7Å; A20-L204 HydrophobicContact CB-CD1 4.15Å; A20-L204 HydrophobicContact CB-CD2 4.36Å; A21-L204 HydrophobicContact CB-CD2 4.21Å; I24-L204 HydrophobicContact CD1-CB 3.65Å; I24-L204 HydrophobicContact CD1-CD1 4.26Å; I24-L204 HydrophobicContact CD1-CD2 3.89Å; I24-L204 HydrophobicContact CD1-CG 4.12Å; R200-L204 WeakPolarHBondContact O-CG 3.44Å; R200-L204 PolarHBondContact O-N 3.36Å; R200-L204 VanDerWaalsContact O-N 3.12Å; K201-L204 PolarHBondContact O-N 3.09Å; K202-L204 PolarHBondContact O-N 3.29Å; L204-R208 PolarHBondContact O-N 3.21Å
205A98.6Very high97.3Very high50 Ų5064 Ų6441%0.41334%0.335SS..Hα-helixtrans-68.1-44.7174.600000111.8K201 K202 M203 W207 R208 T209K201-A205 WeakPolarHBondContact O-CB 3.49Å; K201-A205 PolarHBondContact O-N 2.91Å; K202-A205 WeakPolarHBondContact O-CB 3.44Å; K202-A205 PolarHBondContact O-N 2.99Å; M203-A205 VanDerWaalsContact C-N 3.3Å; M203-A205 PolarHBondContact O-N 2.66Å; A205-W207 VanDerWaalsContact C-N 3.29Å; A205-W207 PolarHBondContact O-N 2.89Å; A205-R208 PolarHBondContact O-N 3.48Å; A205-T209 PolarHBondContact O-N 3.08Å; A205-T209 PolarHBondContact O-OG1 3.05Å
206R98.4Very high97.3Very high132 Ų13269.3 Ų69.350%0.49836%0.356SS..Hα-helixtrans-59.7-42.3173.6-65.3-170.9-35.2-117.4-2111.4K202 M203 R208 T209 R210K202-R206 WeakPolarHBondContact O-CG 3.47Å; K202-R206 PolarHBondContact O-N 2.83Å; M203-R206 PolarHBondContact O-N 2.97Å; R206-R208 PolarHBondContact O-N 3.39Å; R206-T209 WeakPolarHBondContact O-CB 3.39Å; R206-T209 PolarHBondContact O-N 2.84Å; R206-T209 VanDerWaalsContact O-N 3.12Å; R206-R210 PolarHBondContact O-N 3.31Å
207W98.7Very high97.3Very high0 Ų068.9 Ų68.90%035%0.345CS..Hα-helixtrans-59.9-46.5176.8177.7-135.5000112A21 A25 I98 M143 E187 F189 M203 A205 T209 R210 L211 L214A21-W207 PolarHBondContact O-NE1 2.7Å; A25-W207 HydrophobicContact CB-CZ2 3.94Å; I98-W207 HydrophobicContact CD1-CH2 4.48Å; M143-W207 HydrophobicContact CE-CH2 3.26Å; M143-W207 HydrophobicContact CE-CZ2 4.14Å; M143-W207 HydrophobicContact CE-CZ3 3.76Å; M143-W207 HydrophobicContact SD-CH2 4.3Å; M143-W207 HydrophobicContact SD-CZ3 4.3Å; E187-W207 HydrophobicContact CB-CE3 4.19Å; E187-W207 HydrophobicContact CB-CZ3 4.15Å; E187-W207 HydrophobicContact CG-CD2 4.16Å; E187-W207 HydrophobicContact CG-CE3 3.67Å; E187-W207 HydrophobicContact CG-CZ3 4.15Å; F189-W207 HydrophobicContact CE1-CB 3.92Å; F189-W207 HydrophobicContact CE1-CG 4.34Å; F189-W207 HydrophobicContact CZ-CB 3.84Å; F189-W207 AromaticContact CZ-CD1 3.97Å; F189-W207 HydrophobicContact CZ-CD2 4.25Å; F189-W207 AromaticContact CZ-CG 3.74Å; F189-W207 HydrophobicContact CZ-CG 3.74Å; M203-W207 PolarHBondContact O-N 3.24Å; A205-W207 VanDerWaalsContact C-N 3.29Å; A205-W207 PolarHBondContact O-N 2.89Å; W207-T209 VanDerWaalsContact C-N 3.27Å; W207-T209 PolarHBondContact O-N 2.98Å; W207-R210 HydrophobicContact CE3-CB 4.32Å; W207-R210 HydrophobicContact CZ3-CG 4.44Å; W207-R210 PolarHBondContact O-N 3.12Å; W207-L211 HydrophobicContact CD2-CD1 3.76Å; W207-L211 HydrophobicContact CD2-CG 3.93Å; W207-L211 VanDerWaalsContact CE2-CD1 3.4Å; W207-L211 HydrophobicContact CE3-CD1 4.36Å; W207-L211 HydrophobicContact CE3-CG 4.01Å; W207-L211 HydrophobicContact CG-CD1 4.1Å; W207-L211 HydrophobicContact CH2-CD1 4.21Å; W207-L211 HydrophobicContact CH2-CD2 3.42Å; W207-L211 VanDerWaalsContact CH2-CD2 3.42Å; W207-L211 HydrophobicContact CH2-CG 3.6Å; W207-L211 HydrophobicContact CZ2-CD1 3.69Å; W207-L211 HydrophobicContact CZ2-CD2 3.47Å; W207-L211 VanDerWaalsContact CZ2-CD2 3.47Å; W207-L211 HydrophobicContact CZ2-CG 3.6Å; W207-L211 HydrophobicContact CZ3-CD2 4.13Å; W207-L211 HydrophobicContact CZ3-CG 3.84Å; W207-L211 WeakPolarHBondContact O-CB 3.26Å; W207-L211 WeakPolarHBondContact O-CD1 3.29Å; W207-L211 WeakPolarHBondContact O-CG 3.41Å; W207-L211 PolarHBondContact O-N 3.03Å; W207-L214 HydrophobicContact CH2-CD2 4.03Å
208R98.7Very high97.3Very high88 Ų8873.6 Ų73.633%0.33236%0.358SS..Hα-helixtrans-57.4-38.5173.2172.6176.5-85.4107.2-8.5112.6I24 E27 V28 L204 A205 R206 Q212I24-R208 HydrophobicContact CG2-CB 3.89Å; E27-R208 IonicContact OE1-CZ 3.66Å; E27-R208 IonicContact OE1-NE 3.35Å; E27-R208 IonicContact OE1-NH2 3.75Å; E27-R208 PolarHBondContact OE1-NH2 2.85Å; E27-R208 IonicContact OE2-NH2 2.63Å; E27-R208 PolarHBondContact OE2-NH2 3.18Å; V28-R208 HydrophobicContact CG2-CB 4.39Å; V28-R208 HydrophobicContact CG2-CG 3.81Å; L204-R208 PolarHBondContact O-N 3.21Å; A205-R208 PolarHBondContact O-N 3.48Å; R206-R208 PolarHBondContact O-N 3.39Å; R208-Q212 PolarHBondContact O-NE2 2.84Å
209T98.4Very high97.2Very high96 Ų9672.5 Ų72.559%0.58935%0.345SS*.Hα-helixtrans-67.6-49.5176.9-61.10000111.3A205 R206 W207 L211 Q212A205-T209 PolarHBondContact O-N 3.08Å; A205-T209 PolarHBondContact O-OG1 3.05Å; R206-T209 WeakPolarHBondContact O-CB 3.39Å; R206-T209 PolarHBondContact O-N 2.84Å; R206-T209 VanDerWaalsContact O-N 3.12Å; W207-T209 VanDerWaalsContact C-N 3.27Å; W207-T209 PolarHBondContact O-N 2.98Å; T209-L211 VanDerWaalsContact C-N 3.27Å; T209-L211 PolarHBondContact O-N 3.4Å; T209-Q212 VanDerWaalsContact O-CB 3.28Å; T209-Q212 WeakPolarHBondContact O-CB 3.35Å; T209-Q212 WeakPolarHBondContact O-CG 3.26Å; T209-Q212 PolarHBondContact O-N 3.36Å
210R98.1Very high97.1Very high48 Ų4871.2 Ų71.218%0.18134%0.338CS..Hα-helixtrans-59.1-40.2179.4-176.4178178.3-168.4-0.1112.3P185 P186 E187 R206 W207 Q212 D213 L214 E217P185-R210 PolarHBondContact O-NH2 2.96Å; P186-R210 PolarHBondContact O-NH1 3.3Å; E187-R210 WeakPolarHBondContact OE2-CD 3.06Å; E187-R210 IonicContact OE2-CZ 3.32Å; E187-R210 IonicContact OE2-NH1 2.84Å; E187-R210 PolarHBondContact OE2-NH1 3.12Å; R206-R210 PolarHBondContact O-N 3.31Å; W207-R210 HydrophobicContact CE3-CB 4.32Å; W207-R210 HydrophobicContact CZ3-CG 4.44Å; W207-R210 PolarHBondContact O-N 3.12Å; R210-Q212 PolarHBondContact O-N 2.81Å; R210-D213 PolarHBondContact O-N 2.86Å; R210-L214 PolarHBondContact O-N 3.19Å; R210-E217 IonicContact CZ-OE1 2.71Å; R210-E217 IonicContact CZ-OE2 2.75Å; R210-E217 IonicContact NE-OE1 3.45Å; R210-E217 PolarHBondContact NE-OE1 3.23Å; R210-E217 IonicContact NE-OE2 2.86Å; R210-E217 PolarHBondContact NE-OE2 3.06Å; R210-E217 IonicContact NH2-OE1 2.96Å; R210-E217 PolarHBondContact NH2-OE1 3Å; R210-E217 IonicContact NH2-OE2 3.5Å; R210-E217 PolarHBondContact NH2-OE2 3.05Å
211L98.4Very high96.7Very high0 Ų071.8 Ų71.80%036%0.355CS..THydrogen-bonded Turntrans-57.8-18.9176-79.5162.3000114.3I24 A25 V28 L29 Q32 W207 T209 D213 L214I24-L211 HydrophobicContact CG2-CD1 3.88Å; A25-L211 HydrophobicContact CB-CD1 4.11Å; A25-L211 HydrophobicContact CB-CD2 4.15Å; V28-L211 HydrophobicContact CB-CB 4.11Å; V28-L211 HydrophobicContact CB-CD1 4.16Å; V28-L211 HydrophobicContact CG1-CB 3.54Å; V28-L211 HydrophobicContact CG1-CD1 4.5Å; V28-L211 HydrophobicContact CG2-CD1 4.29Å; L29-L211 HydrophobicContact CD1-CD2 3.87Å; L29-L211 HydrophobicContact CD2-CD2 4.11Å; L29-L211 HydrophobicContact CG-CD2 3.92Å; Q32-L211 PolarHBondContact NE2-O 3.07Å; W207-L211 HydrophobicContact CD2-CD1 3.76Å; W207-L211 HydrophobicContact CD2-CG 3.93Å; W207-L211 VanDerWaalsContact CE2-CD1 3.4Å; W207-L211 HydrophobicContact CE3-CD1 4.36Å; W207-L211 HydrophobicContact CE3-CG 4.01Å; W207-L211 HydrophobicContact CG-CD1 4.1Å; W207-L211 HydrophobicContact CH2-CD1 4.21Å; W207-L211 HydrophobicContact CH2-CD2 3.42Å; W207-L211 VanDerWaalsContact CH2-CD2 3.42Å; W207-L211 HydrophobicContact CH2-CG 3.6Å; W207-L211 HydrophobicContact CZ2-CD1 3.69Å; W207-L211 HydrophobicContact CZ2-CD2 3.47Å; W207-L211 VanDerWaalsContact CZ2-CD2 3.47Å; W207-L211 HydrophobicContact CZ2-CG 3.6Å; W207-L211 HydrophobicContact CZ3-CD2 4.13Å; W207-L211 HydrophobicContact CZ3-CG 3.84Å; W207-L211 WeakPolarHBondContact O-CB 3.26Å; W207-L211 WeakPolarHBondContact O-CD1 3.29Å; W207-L211 WeakPolarHBondContact O-CG 3.41Å; W207-L211 PolarHBondContact O-N 3.03Å; T209-L211 VanDerWaalsContact C-N 3.27Å; T209-L211 PolarHBondContact O-N 3.4Å; L211-D213 VanDerWaalsContact C-N 3.32Å; L211-D213 PolarHBondContact O-N 3.09Å; L211-L214 HydrophobicContact CD2-CD2 3.76Å
212Q97.1Very high96.4Very high94 Ų9465.7 Ų65.744%0.43933%0.329SS..THydrogen-bonded Turntrans-62.9-38.6178.2-61.8-52.8-45.500112.8Q32 R208 T209 R210Q32-Q212 VanDerWaalsContact NE2-CA 3.3Å; R208-Q212 PolarHBondContact O-NE2 2.84Å; T209-Q212 VanDerWaalsContact O-CB 3.28Å; T209-Q212 WeakPolarHBondContact O-CB 3.35Å; T209-Q212 WeakPolarHBondContact O-CG 3.26Å; T209-Q212 PolarHBondContact O-N 3.36Å; R210-Q212 PolarHBondContact O-N 2.81Å
213D94.6Very high96Very high118 Ų11860.3 Ų60.363%0.63131%0.306SS*.THydrogen-bonded Turntrans-117.98.8-172.6-55.4-49.8000112.2R210 L211 L215 E216 E217R210-D213 PolarHBondContact O-N 2.86Å; L211-D213 VanDerWaalsContact C-N 3.32Å; L211-D213 PolarHBondContact O-N 3.09Å; D213-L215 VanDerWaalsContact C-N 3.25Å; D213-L215 PolarHBondContact O-N 3.46Å; D213-L215 VanDerWaalsContact O-N 3.14Å; D213-E216 PolarHBondContact O-N 3.31Å; D213-E217 PolarHBondContact O-N 3.49Å; D213-E217 VanDerWaalsContact O-N 3.15Å
214L96Very high95.6Very high0 Ų062.1 Ų62.10%032%0.319CS..THydrogen-bonded Turntrans-57.5-33.8-171.3-175.466.7000113.7L96 I98 M143 L184 W207 R210 L211 E216 E217L96-L214 HydrophobicContact CD2-CD2 3.82Å; L96-L214 HydrophobicContact CD2-CG 4.24Å; I98-L214 HydrophobicContact CD1-CD2 3.97Å; M143-L214 HydrophobicContact CE-CD2 4.33Å; M143-L214 HydrophobicContact SD-CD1 3.79Å; M143-L214 HydrophobicContact SD-CD2 4.48Å; L184-L214 HydrophobicContact CD1-CD1 3.72Å; L184-L214 HydrophobicContact CD1-CG 4.1Å; W207-L214 HydrophobicContact CH2-CD2 4.03Å; R210-L214 PolarHBondContact O-N 3.19Å; L211-L214 HydrophobicContact CD2-CD2 3.76Å; L214-E216 VanDerWaalsContact C-N 3.25Å; L214-E216 PolarHBondContact O-N 3.3Å; L214-E217 WeakPolarHBondContact CD1-OE2 3.37Å; L214-E217 WeakPolarHBondContact O-CB 3.31Å; L214-E217 PolarHBondContact O-N 2.83Å
215L93.5Very high95.1Very high34 Ų3463.7 Ų63.718%0.17833%0.328CS..THydrogen-bonded Turntrans-66.8-28.6178.3-70.3172.3000112.7K3 L96 K141 D213K3-L215 HydrophobicContact CB-CD1 4.22Å; K3-L215 HydrophobicContact CG-CD1 4.16Å; L96-L215 HydrophobicContact CB-CD2 4.15Å; L96-L215 HydrophobicContact CD2-CD2 4.01Å; K141-L215 PolarHBondContact NZ-O 2.95Å; D213-L215 VanDerWaalsContact C-N 3.25Å; D213-L215 PolarHBondContact O-N 3.46Å; D213-L215 VanDerWaalsContact O-N 3.14Å
216E94.8Very high94.7Very high154 Ų15466.7 Ų66.772%0.7234%0.337SS*.THydrogen-bonded Turntrans-97.4-4.4-179.3-53.3-54.3135.700112.2D213 L214D213-E216 PolarHBondContact O-N 3.31Å; L214-E216 VanDerWaalsContact C-N 3.25Å; L214-E216 PolarHBondContact O-N 3.3Å
217E95.3Very high94.5Very high46 Ų4663.9 Ų63.922%0.21533%0.326CS..PPolyproline II helixtrans-61.9137.1-179.4-165.8174155.700111.1K141 L184 P185 R210 D213 L214K141-E217 PolarHBondContact NZ-O 2.72Å; L184-E217 HydrophobicContact CD2-CB 4.16Å; L184-E217 WeakPolarHBondContact CD2-O 3.45Å; P185-E217 WeakPolarHBondContact CD-OE1 3.44Å; R210-E217 IonicContact CZ-OE1 2.71Å; R210-E217 IonicContact CZ-OE2 2.75Å; R210-E217 IonicContact NE-OE1 3.45Å; R210-E217 PolarHBondContact NE-OE1 3.23Å; R210-E217 IonicContact NE-OE2 2.86Å; R210-E217 PolarHBondContact NE-OE2 3.06Å; R210-E217 IonicContact NH2-OE1 2.96Å; R210-E217 PolarHBondContact NH2-OE1 3Å; R210-E217 IonicContact NH2-OE2 3.5Å; R210-E217 PolarHBondContact NH2-OE2 3.05Å; D213-E217 PolarHBondContact O-N 3.49Å; D213-E217 VanDerWaalsContact O-N 3.15Å; L214-E217 WeakPolarHBondContact CD1-OE2 3.37Å; L214-E217 WeakPolarHBondContact O-CB 3.31Å; L214-E217 PolarHBondContact O-N 2.83Å
218E95.8Very high94.1Very high155 Ų15565.9 Ų65.972%0.72434%0.335SS*.PPolyproline II helixtrans-69.7131.4177.7-71.6-64.415700110.6
219P96.1Very high93.8Very high36 Ų3664.6 Ų64.623%0.23434%0.335CS..PPolyproline II helixtrans-66.2162.1174.6-1932.3000113.3Q182 V183 L184Q182-P219 HydrophobicContact CB-CB 4.12Å; Q182-P219 HydrophobicContact CB-CG 3.78Å; Q182-P219 HydrophobicContact CG-CG 4.38Å; V183-P219 CarbonylContact O-C 3.31Å; V183-P219 WeakPolarHBondContact O-CA 3.48Å; L184-P219 HydrophobicContact CD2-CG 4.39Å
220L94.4Very high93.3Very high32 Ų3269.1 Ų69.117%0.16835%0.346CS..PPolyproline II helixtrans-61.5147.3165.2-62.8174.8000110.4V183 P185 F222V183-L220 HydrophobicContact CG1-CD1 4.41Å; V183-L220 WeakPolarHBondContact O-CB 3.38Å; V183-L220 PolarHBondContact O-N 3.04Å; P185-L220 HydrophobicContact CB-CD2 4.25Å; P185-L220 HydrophobicContact CG-CD2 3.93Å; P185-L220 HydrophobicContact CG-CG 4.38Å; L220-F222 HydrophobicContact CB-CE2 4.08Å; L220-F222 HydrophobicContact CB-CZ 4.31Å
221S90.4Very high92.8Very high97 Ų9775.2 Ų75.268%0.67838%0.377SS*.PPolyproline II helixtrans-88.5126.5175-63.60000110.6
222F90.6Very high92.4Very high28 Ų2878.9 Ų78.912%0.12340%0.399CS..  trans-109.7159.9168.7-62.5-85.5000110.2W169 Q172 N173 H177 V183 L220 P224W169-F222 HydrophobicContact CH2-CD1 4.15Å; W169-F222 AromaticContact CZ3-CD1 3.96Å; W169-F222 HydrophobicContact CZ3-CD1 3.96Å; W169-F222 HydrophobicContact CZ3-CE1 4.04Å; Q172-F222 HydrophobicContact CB-CZ 4.29Å; N173-F222 HydrophobicContact CB-CD1 4.23Å; N173-F222 HydrophobicContact CB-CE1 3.91Å; H177-F222 HydrophobicContact CB-CD1 4.37Å; H177-F222 HydrophobicContact CB-CD2 4.19Å; H177-F222 HydrophobicContact CB-CE1 4.26Å; H177-F222 HydrophobicContact CB-CE2 4.06Å; H177-F222 HydrophobicContact CB-CG 4.35Å; H177-F222 HydrophobicContact CB-CZ 4.1Å; H177-F222 AromaticContact CD2-CD1 3.87Å; H177-F222 AromaticContact CD2-CD2 3.89Å; H177-F222 AromaticContact CD2-CG 3.49Å; H177-F222 VanDerWaalsContact CD2-CG 3.49Å; H177-F222 WeakPolarHBondContact CD2-CG 3.43Å; H177-F222 AromaticContact CE1-CD2 3.82Å; H177-F222 AromaticContact CE1-CG 3.97Å; H177-F222 AromaticContact CG-CD2 3.6Å; H177-F222 AromaticContact CG-CE2 3.97Å; H177-F222 AromaticContact CG-CG 3.67Å; H177-F222 AromaticContact ND1-CD2 3.55Å; H177-F222 AromaticContact ND1-CG 3.96Å; H177-F222 VanDerWaalsContact NE2-CB 3.32Å; H177-F222 WeakPolarHBondContact NE2-CB 3.34Å; H177-F222 AromaticContact NE2-CG 3.7Å; V183-F222 HydrophobicContact CB-CE2 3.77Å; V183-F222 HydrophobicContact CB-CZ 3.94Å; V183-F222 HydrophobicContact CG2-CE2 3.75Å; V183-F222 HydrophobicContact CG2-CZ 3.9Å; L220-F222 HydrophobicContact CB-CE2 4.08Å; L220-F222 HydrophobicContact CB-CZ 4.31Å; F222-P224 WeakPolarHBondContact O-CD 3.22Å
223T90.9Very high92.1Very high12 Ų1280.5 Ų80.57%0.07441%0.405CS..  trans-64.3123.1178.6-510000109.8W227 F228 L235 L246 I250T223-W227 HydrophobicContact CG2-CB 4.41Å; T223-W227 HydrophobicContact CG2-CD2 4.33Å; T223-W227 HydrophobicContact CG2-CE3 3.75Å; T223-W227 HydrophobicContact CG2-CZ3 4.45Å; T223-F228 HydrophobicContact CG2-CE2 3.7Å; T223-F228 HydrophobicContact CG2-CZ 3.68Å; T223-L235 HydrophobicContact CG2-CD1 4.21Å; T223-L246 HydrophobicContact CG2-CD1 3.97Å; T223-I250 HydrophobicContact CG2-CD1 4.28Å
224P89.5Confident92Very high55 Ų5581.3 Ų81.336%0.35741%0.405SS..  trans-59.5141-177-27.236.5000113.4F222 D226 W227 F228F222-P224 WeakPolarHBondContact O-CD 3.22Å; P224-D226 VanDerWaalsContact C-N 3.27Å; P224-D226 WeakPolarHBondContact CB-OD1 3.38Å; P224-D226 PolarHBondContact O-N 3.18Å; P224-W227 HydrophobicContact CB-CG 4.18Å; P224-W227 HydrophobicContact CG-CD2 4.36Å; P224-W227 HydrophobicContact CG-CG 4.49Å; P224-W227 HydrophobicContact CG-CZ2 4.42Å; P224-W227 VanDerWaalsContact O-CB 3.26Å; P224-W227 WeakPolarHBondContact O-CB 3.49Å; P224-W227 PolarHBondContact O-N 3.49Å; P224-F228 WeakPolarHBondContact O-CD2 3.28Å; P224-F228 VanDerWaalsContact O-CE2 3.29Å; P224-F228 WeakPolarHBondContact O-CE2 3.44Å
225L88.6Confident91.8Very high63 Ų6382.8 Ų82.833%0.3341%0.413SS..G310 helixtrans-67-27-176.4-63.2174.5000113.6Y132 C133 W227 F228Y132-L225 VanDerWaalsContact CB-CD1 3.48Å; Y132-L225 HydrophobicContact CD2-CD2 3.9Å; Y132-L225 HydrophobicContact CG-CD2 3.8Å; C133-L225 WeakPolarHBondContact SG-CD1 3.2Å; L225-W227 PolarHBondContact O-N 3.42Å; L225-F228 PolarHBondContact O-N 2.86Å; L225-F228 VanDerWaalsContact O-N 3.12Å
226D90.9Very high91.8Very high113 Ų11384.2 Ų84.260%0.60442%0.418SS*.G310 helixtrans-69.5-9.6174.965.8-27.8000113P224 F228 K236P224-D226 VanDerWaalsContact C-N 3.27Å; P224-D226 WeakPolarHBondContact CB-OD1 3.38Å; P224-D226 PolarHBondContact O-N 3.18Å; D226-F228 VanDerWaalsContact C-N 3.29Å; D226-K236 WeakPolarHBondContact O-CE 3.34Å; D226-K236 PolarHBondContact O-NZ 2.95Å
227W92.9Very high91.6Very high73 Ų7381.8 Ų81.828%0.27742%0.415SS..G310 helixtrans-81.5-7.9172-65.819.7000112.9T223 P224 L225 L235 K236 H239 L246T223-W227 HydrophobicContact CG2-CB 4.41Å; T223-W227 HydrophobicContact CG2-CD2 4.33Å; T223-W227 HydrophobicContact CG2-CE3 3.75Å; T223-W227 HydrophobicContact CG2-CZ3 4.45Å; P224-W227 HydrophobicContact CB-CG 4.18Å; P224-W227 HydrophobicContact CG-CD2 4.36Å; P224-W227 HydrophobicContact CG-CG 4.49Å; P224-W227 HydrophobicContact CG-CZ2 4.42Å; P224-W227 VanDerWaalsContact O-CB 3.26Å; P224-W227 WeakPolarHBondContact O-CB 3.49Å; P224-W227 PolarHBondContact O-N 3.49Å; L225-W227 PolarHBondContact O-N 3.42Å; W227-L235 HydrophobicContact CB-CD1 3.93Å; W227-L235 HydrophobicContact CE3-CD1 4.31Å; W227-K236 WeakPolarHBondContact O-CB 3.31Å; W227-K236 VanDerWaalsContact O-CG 3.28Å; W227-K236 WeakPolarHBondContact O-CG 3.46Å; W227-K236 PolarHBondContact O-N 3.22Å; W227-H239 HydrophobicContact CB-CB 4.5Å; W227-H239 VanDerWaalsContact CB-CD2 3.44Å; W227-H239 WeakPolarHBondContact CB-CD2 3.5Å; W227-H239 AromaticContact CD1-CD2 3.99Å; W227-H239 AromaticContact CD1-CE1 3.66Å; W227-H239 AromaticContact CD1-NE2 3.55Å; W227-H239 HydrophobicContact CD2-CB 4.03Å; W227-H239 AromaticContact CD2-CD2 3.86Å; W227-H239 AromaticContact CD2-CE1 3.85Å; W227-H239 AromaticContact CD2-CG 3.55Å; W227-H239 AromaticContact CD2-ND1 3.54Å; W227-H239 AromaticContact CE2-CE1 3.78Å; W227-H239 AromaticContact CE2-ND1 3.65Å; W227-H239 HydrophobicContact CE3-CB 3.58Å; W227-H239 AromaticContact CE3-CG 3.65Å; W227-H239 AromaticContact CE3-ND1 3.86Å; W227-H239 HydrophobicContact CG-CB 4.45Å; W227-H239 AromaticContact CG-CD2 3.49Å; W227-H239 VanDerWaalsContact CG-CD2 3.49Å; W227-H239 AromaticContact CG-CE1 3.79Å; W227-H239 AromaticContact CG-CG 3.71Å; W227-H239 AromaticContact CG-ND1 3.9Å; W227-H239 AromaticContact CG-NE2 3.56Å; W227-H239 HydrophobicContact CZ3-CB 4.07Å; W227-H239 AromaticContact NE1-CE1 3.67Å; W227-L246 HydrophobicContact CE3-CD1 3.88Å; W227-L246 HydrophobicContact CZ3-CD1 3.79Å; W227-L246 HydrophobicContact CZ3-CD2 3.88Å; W227-L246 HydrophobicContact CZ3-CG 4.43Å
228F92.1Very high91.3Very high42 Ų4286 Ų8618%0.18444%0.435CS..BIsolated β-bridgetrans-105.2145.9178.8-57-95.6000111.2T223 P224 L225 D226 Q234 L235 K236 I250T223-F228 HydrophobicContact CG2-CE2 3.7Å; T223-F228 HydrophobicContact CG2-CZ 3.68Å; P224-F228 WeakPolarHBondContact O-CD2 3.28Å; P224-F228 VanDerWaalsContact O-CE2 3.29Å; P224-F228 WeakPolarHBondContact O-CE2 3.44Å; L225-F228 PolarHBondContact O-N 2.86Å; L225-F228 VanDerWaalsContact O-N 3.12Å; D226-F228 VanDerWaalsContact C-N 3.29Å; F228-Q234 CarbonylContact C-O 3.27Å; F228-Q234 VanDerWaalsContact CA-O 3.31Å; F228-Q234 WeakPolarHBondContact CA-O 3.49Å; F228-L235 HydrophobicContact CD1-CB 4.4Å; F228-L235 HydrophobicContact CE1-CB 4.3Å; F228-L235 HydrophobicContact CE1-CD1 4.2Å; F228-L235 HydrophobicContact CZ-CD1 4.28Å; F228-K236 VanDerWaalsContact O-CE 3.31Å; F228-K236 WeakPolarHBondContact O-CE 3.38Å; F228-I250 HydrophobicContact CE1-CD1 3.64Å; F228-I250 HydrophobicContact CZ-CD1 3.31Å
229D91.9Very high90.9Very high60 Ų6080.9 Ų80.932%0.32141%0.411SS..  trans-71.8133170.3177.1-94.8000110.3E231 T232 F233 Q234D229-E231 VanDerWaalsContact C-N 3.29Å; D229-E231 PolarHBondContact O-N 3.4Å; D229-E231 PolarHBondContact OD1-N 3.34Å; D229-E231 VanDerWaalsContact OD1-N 3.09Å; D229-T232 VanDerWaalsContact CB-OG1 3.32Å; D229-T232 WeakPolarHBondContact CB-OG1 3.4Å; D229-T232 WeakPolarHBondContact OD1-CB 3.08Å; D229-T232 PolarHBondContact OD1-N 3.19Å; D229-T232 PolarHBondContact OD1-OG1 3.43Å; D229-F233 WeakPolarHBondContact O-CA 3.47Å; D229-F233 PolarHBondContact O-N 3.43Å; D229-Q234 PolarHBondContact N-O 2.88Å
230K87Confident90.3Very high192 Ų19283.9 Ų83.984%0.83542%0.424SS*.THydrogen-bonded Turntrans-73.3-19.4-171.4-67.2-172.4176.9-171.10113.9
231E87.4Confident89.3Confident176 Ų17685.3 Ų85.382%0.82244%0.436SS*.THydrogen-bonded Turntrans-94.9-41.6-178.4-62.5-175.1177.600111D229D229-E231 VanDerWaalsContact C-N 3.29Å; D229-E231 PolarHBondContact O-N 3.4Å; D229-E231 PolarHBondContact OD1-N 3.34Å; D229-E231 VanDerWaalsContact OD1-N 3.09Å
232T91.2Very high88.1Confident76 Ų7689.3 Ų89.347%0.46644%0.444SS..THydrogen-bonded Turntrans-95.9-17.2-175.162.20000113.6D229 Q234D229-T232 VanDerWaalsContact CB-OG1 3.32Å; D229-T232 WeakPolarHBondContact CB-OG1 3.4Å; D229-T232 WeakPolarHBondContact OD1-CB 3.08Å; D229-T232 PolarHBondContact OD1-N 3.19Å; D229-T232 PolarHBondContact OD1-OG1 3.43Å; T232-Q234 PolarHBondContact O-N 3.25Å; T232-Q234 PolarHBondContact OG1-N 3.41Å
233F90.4Very high87.4Confident128 Ų12894.9 Ų94.956%0.56147%0.471SS*.  trans57.221.7-172.4-57-86.6000113.8P131 D229P131-F233 HydrophobicContact CG-CD1 4.33Å; P131-F233 HydrophobicContact CG-CE1 3.78Å; D229-F233 WeakPolarHBondContact O-CA 3.47Å; D229-F233 PolarHBondContact O-N 3.43Å
234Q92.4Very high86.7Confident136 Ų13699 Ų9964%0.63649%0.488SS*.PPolyproline II helixtrans-95.5150.1177.2-64.2-173.92.800111F228 D229 T232 K236F228-Q234 CarbonylContact C-O 3.27Å; F228-Q234 VanDerWaalsContact CA-O 3.31Å; F228-Q234 WeakPolarHBondContact CA-O 3.49Å; D229-Q234 PolarHBondContact N-O 2.88Å; T232-Q234 PolarHBondContact O-N 3.25Å; T232-Q234 PolarHBondContact OG1-N 3.41Å; Q234-K236 PolarHBondContact O-N 2.99Å
235L92.4Very high86.3Confident30 Ų3096.6 Ų96.616%0.15747%0.473CS..BIsolated β-bridgetrans-61130.6174.7-173.773.3000109.6T223 W227 F228 H239 I240 L246 I250 L252T223-L235 HydrophobicContact CG2-CD1 4.21Å; W227-L235 HydrophobicContact CB-CD1 3.93Å; W227-L235 HydrophobicContact CE3-CD1 4.31Å; F228-L235 HydrophobicContact CD1-CB 4.4Å; F228-L235 HydrophobicContact CE1-CB 4.3Å; F228-L235 HydrophobicContact CE1-CD1 4.2Å; F228-L235 HydrophobicContact CZ-CD1 4.28Å; L235-H239 HydrophobicContact CD1-CB 4.02Å; L235-H239 HydrophobicContact CD2-CB 4.47Å; L235-H239 HydrophobicContact CG-CB 4.22Å; L235-I240 HydrophobicContact CD2-CG1 4Å; L235-L246 HydrophobicContact CD1-CD1 3.84Å; L235-L246 HydrophobicContact CD2-CD1 3.58Å; L235-L246 HydrophobicContact CG-CD1 4.38Å; L235-I250 HydrophobicContact CD2-CG2 4.26Å; L235-L252 HydrophobicContact CD2-CD1 4.28Å; L235-L252 HydrophobicContact CD2-CD2 4.1Å
236K92.8Very high86.1Confident65 Ų6595.7 Ų95.728%0.28347%0.468SS..PPolyproline II helixtrans-66.9142.7178.8-62.1169.4-179.9172.10110.7D226 W227 F228 Q234 E238 H239D226-K236 WeakPolarHBondContact O-CE 3.34Å; D226-K236 PolarHBondContact O-NZ 2.95Å; W227-K236 WeakPolarHBondContact O-CB 3.31Å; W227-K236 VanDerWaalsContact O-CG 3.28Å; W227-K236 WeakPolarHBondContact O-CG 3.46Å; W227-K236 PolarHBondContact O-N 3.22Å; F228-K236 VanDerWaalsContact O-CE 3.31Å; F228-K236 WeakPolarHBondContact O-CE 3.38Å; Q234-K236 PolarHBondContact O-N 2.99Å; K236-E238 HydrophobicContact CB-CG 4.34Å; K236-E238 WeakPolarHBondContact CB-OE2 3.32Å; K236-E238 WeakPolarHBondContact CD-OE1 3.28Å; K236-E238 PolarHBondContact O-N 2.97Å; K236-E238 VanDerWaalsContact O-N 3.11Å; K236-H239 PolarHBondContact O-N 3.21Å; K236-H239 VanDerWaalsContact O-N 3.07Å
237P90.6Very high86Confident103 Ų10390.3 Ų90.367%0.66944%0.44SS*.G310 helixtrans-55.7-32.5-173.6-27.535.6000115H239 I240P237-H239 PolarHBondContact O-N 3.43Å; P237-I240 PolarHBondContact O-N 2.88Å
238E89.4Confident85.9Confident135 Ų13587.4 Ų87.463%0.63143%0.43SS*.G310 helixtrans-66-16-179.860.1-94-145.500114.7K236K236-E238 HydrophobicContact CB-CG 4.34Å; K236-E238 WeakPolarHBondContact CB-OE2 3.32Å; K236-E238 WeakPolarHBondContact CD-OE1 3.28Å; K236-E238 PolarHBondContact O-N 2.97Å; K236-E238 VanDerWaalsContact O-N 3.11Å
239H87.7Confident85.8Confident47 Ų4787.3 Ų87.322%0.21844%0.441CS..G310 helixtrans-100.92.1179.8-61.3-58.2000113.6W227 L235 K236 P237 S241W227-H239 HydrophobicContact CB-CB 4.5Å; W227-H239 VanDerWaalsContact CB-CD2 3.44Å; W227-H239 WeakPolarHBondContact CB-CD2 3.5Å; W227-H239 AromaticContact CD1-CD2 3.99Å; W227-H239 AromaticContact CD1-CE1 3.66Å; W227-H239 AromaticContact CD1-NE2 3.55Å; W227-H239 HydrophobicContact CD2-CB 4.03Å; W227-H239 AromaticContact CD2-CD2 3.86Å; W227-H239 AromaticContact CD2-CE1 3.85Å; W227-H239 AromaticContact CD2-CG 3.55Å; W227-H239 AromaticContact CD2-ND1 3.54Å; W227-H239 AromaticContact CE2-CE1 3.78Å; W227-H239 AromaticContact CE2-ND1 3.65Å; W227-H239 HydrophobicContact CE3-CB 3.58Å; W227-H239 AromaticContact CE3-CG 3.65Å; W227-H239 AromaticContact CE3-ND1 3.86Å; W227-H239 HydrophobicContact CG-CB 4.45Å; W227-H239 AromaticContact CG-CD2 3.49Å; W227-H239 VanDerWaalsContact CG-CD2 3.49Å; W227-H239 AromaticContact CG-CE1 3.79Å; W227-H239 AromaticContact CG-CG 3.71Å; W227-H239 AromaticContact CG-ND1 3.9Å; W227-H239 AromaticContact CG-NE2 3.56Å; W227-H239 HydrophobicContact CZ3-CB 4.07Å; W227-H239 AromaticContact NE1-CE1 3.67Å; L235-H239 HydrophobicContact CD1-CB 4.02Å; L235-H239 HydrophobicContact CD2-CB 4.47Å; L235-H239 HydrophobicContact CG-CB 4.22Å; K236-H239 PolarHBondContact O-N 3.21Å; K236-H239 VanDerWaalsContact O-N 3.07Å; P237-H239 PolarHBondContact O-N 3.43Å; H239-S241 PolarHBondContact O-N 3.11Å
240I83.8Confident85.7Confident99 Ų9986.2 Ų86.251%0.50843%0.434SS..  trans-77.9108.2176.8-59.5176.1000108.3L235 P237 L252L235-I240 HydrophobicContact CD2-CG1 4Å; P237-I240 PolarHBondContact O-N 2.88Å; I240-L252 HydrophobicContact CG2-CD1 4.27Å
241S72.4Confident85.8Confident62 Ų6281.1 Ų81.143%0.43441%0.413SS..  trans-106.3151.4174.7-178.20000111.1H239 N254H239-S241 PolarHBondContact O-N 3.11Å; S241-N254 PolarHBondContact O-ND2 2.8Å
242E65.8Low85.7Confident180 Ų18075.3 Ų75.384%0.84139%0.388SS*.SBendtrans-97.8-11.5-172.3-64.2-171.4166.600114.6
243E75.3Confident85.4Confident146 Ų14677 Ų7768%0.68240%0.403SS*.SBendtrans-88.4-42.7-171.4-157.5177.7177.900113.5
244F75.8Confident85.2Confident97 Ų9772.9 Ų72.943%0.42539%0.387SS..SBendtrans-141.9159.1178.1-68.1-82.9000110.6P255F244-P255 HydrophobicContact CD1-CB 4.03Å; F244-P255 HydrophobicContact CE1-CB 4.21Å
245G81.6Confident84.7Confident5 Ų570.3 Ų70.35%0.05238%0.382CS..  trans-61.1151.9164.800000111.5S247 H251 P255 P257G245-S247 VanDerWaalsContact C-N 3.33Å; G245-H251 VanDerWaalsContact CA-O 3.3Å; G245-H251 WeakPolarHBondContact CA-O 3.5Å; G245-P255 PolarHBondContact N-O 3.28Å; G245-P257 WeakPolarHBondContact O-CD 3.34Å; G245-P257 WeakPolarHBondContact O-CG 3.3Å
246L85.4Confident84.3Confident44 Ų4471.5 Ų71.523%0.2339%0.388CS..SBendtrans-75.1-28.4176.4-61.3-176.9000112.2T223 W227 L235 I250 L252T223-L246 HydrophobicContact CG2-CD1 3.97Å; W227-L246 HydrophobicContact CE3-CD1 3.88Å; W227-L246 HydrophobicContact CZ3-CD1 3.79Å; W227-L246 HydrophobicContact CZ3-CD2 3.88Å; W227-L246 HydrophobicContact CZ3-CG 4.43Å; L235-L246 HydrophobicContact CD1-CD1 3.84Å; L235-L246 HydrophobicContact CD2-CD1 3.58Å; L235-L246 HydrophobicContact CG-CD1 4.38Å; L246-I250 HydrophobicContact CB-CB 4.41Å; L246-I250 HydrophobicContact CB-CG2 4.37Å; L246-I250 HydrophobicContact CD1-CG2 4.23Å; L246-I250 PolarHBondContact N-O 3.26Å; L246-L252 HydrophobicContact CG-CD1 4.2Å
247S88.1Confident83.6Confident0 Ų069.9 Ų69.90%038%0.384CS..SBendtrans-163.7178.2177.861.40000109.1W169 G245 G249 I250 H251W169-S247 VanDerWaalsContact CH2-OG 3.22Å; W169-S247 WeakPolarHBondContact CH2-OG 3.39Å; G245-S247 VanDerWaalsContact C-N 3.33Å; S247-G249 VanDerWaalsContact C-N 3.33Å; S247-G249 PolarHBondContact O-N 3.45Å; S247-I250 PolarHBondContact N-O 3.22Å; S247-I250 CarbonylContact O-C 3.51Å; S247-I250 VanDerWaalsContact O-C 3.31Å; S247-I250 PolarHBondContact O-N 3.07Å; S247-I250 PolarHBondContact OG-N 3.43Å; S247-H251 PolarHBondContact O-N 3.11Å
248V90.4Very high82.3Confident12 Ų1270.8 Ų70.87%0.07339%0.393CS..SBendtrans-58.3-44.3176-178.60000111.9N165 V166 W169 L256 S260N165-V248 HydrophobicContact CB-CG2 3.83Å; V166-V248 HydrophobicContact CB-CG1 4.39Å; V166-V248 HydrophobicContact CG2-CG1 4.02Å; W169-V248 HydrophobicContact CB-CB 4.12Å; W169-V248 HydrophobicContact CB-CG1 3.86Å; W169-V248 HydrophobicContact CD2-CB 3.87Å; W169-V248 HydrophobicContact CD2-CG1 4.41Å; W169-V248 HydrophobicContact CE3-CB 3.62Å; W169-V248 HydrophobicContact CE3-CG2 4.16Å; W169-V248 HydrophobicContact CG-CB 4.11Å; W169-V248 HydrophobicContact CG-CG1 4.13Å; W169-V248 HydrophobicContact CZ3-CB 4.29Å; V248-L256 HydrophobicContact CG1-CD1 4.45Å; V248-S260 WeakPolarHBondContact CG2-OG 3.44Å
249G90.1Very high80.7Confident40 Ų4072.4 Ų72.441%0.41240%0.401SS..SBendtrans-79.2-23.1-179.400000114.4W169 S247W169-G249 VanDerWaalsContact CE2-CA 3.42Å; W169-G249 VanDerWaalsContact CE2-N 3.35Å; S247-G249 VanDerWaalsContact C-N 3.33Å; S247-G249 PolarHBondContact O-N 3.45Å
250I89.9Confident79Confident37 Ų3770.8 Ų70.819%0.1940%0.395CS..  trans-119.261.9-177.9-50.1176.6000108.1T223 F228 L235 L246 S247 L252T223-I250 HydrophobicContact CG2-CD1 4.28Å; F228-I250 HydrophobicContact CE1-CD1 3.64Å; F228-I250 HydrophobicContact CZ-CD1 3.31Å; L235-I250 HydrophobicContact CD2-CG2 4.26Å; L246-I250 HydrophobicContact CB-CB 4.41Å; L246-I250 HydrophobicContact CB-CG2 4.37Å; L246-I250 HydrophobicContact CD1-CG2 4.23Å; L246-I250 PolarHBondContact N-O 3.26Å; S247-I250 PolarHBondContact N-O 3.22Å; S247-I250 CarbonylContact O-C 3.51Å; S247-I250 VanDerWaalsContact O-C 3.31Å; S247-I250 PolarHBondContact O-N 3.07Å; S247-I250 PolarHBondContact OG-N 3.43Å; I250-L252 HydrophobicContact CG2-CD2 4.11Å; I250-L252 HydrophobicContact CG2-CG 4.3Å
251H88.4Confident78.7Confident85 Ų8569.4 Ų69.439%0.39439%0.389SS..  trans-82.2-14.1-173.665.486.8000113.1G245 S247 S253 N254 L256G245-H251 VanDerWaalsContact CA-O 3.3Å; G245-H251 WeakPolarHBondContact CA-O 3.5Å; S247-H251 PolarHBondContact O-N 3.11Å; H251-S253 WeakPolarHBondContact ND1-CA 3.42Å; H251-S253 PolarHBondContact ND1-N 2.87Å; H251-S253 PolarHBondContact O-N 2.88Å; H251-N254 WeakPolarHBondContact O-CA 3.29Å; H251-N254 WeakPolarHBondContact O-CB 3.45Å; H251-N254 PolarHBondContact O-N 3.04Å; H251-L256 HydrophobicContact CB-CD2 3.72Å
252L86.6Confident79Confident54 Ų5469.8 Ų69.828%0.28339%0.387SS..THydrogen-bonded Turntrans54.327.7177.4-55.8175.8000114.3L235 I240 L246 I250 N254L235-L252 HydrophobicContact CD2-CD1 4.28Å; L235-L252 HydrophobicContact CD2-CD2 4.1Å; I240-L252 HydrophobicContact CG2-CD1 4.27Å; L246-L252 HydrophobicContact CG-CD1 4.2Å; I250-L252 HydrophobicContact CG2-CD2 4.11Å; I250-L252 HydrophobicContact CG2-CG 4.3Å; L252-N254 PolarHBondContact O-N 3.06Å
253S84.5Confident79.8Confident112 Ų11263.7 Ų63.778%0.78336%0.361SS*.THydrogen-bonded Turntrans61.112-169.8-490000115.3H251H251-S253 WeakPolarHBondContact ND1-CA 3.42Å; H251-S253 PolarHBondContact ND1-N 2.87Å; H251-S253 PolarHBondContact O-N 2.88Å
254N85.8Confident80Confident41 Ų4158.8 Ų58.822%0.21934%0.343CS..SBendtrans-93.9166.3174.2-61.8-28.7000110.8S241 H251 L252S241-N254 PolarHBondContact O-ND2 2.8Å; H251-N254 WeakPolarHBondContact O-CA 3.29Å; H251-N254 WeakPolarHBondContact O-CB 3.45Å; H251-N254 PolarHBondContact O-N 3.04Å; L252-N254 PolarHBondContact O-N 3.06Å
255P82.6Confident80.3Confident83 Ų8356.4 Ų56.454%0.53934%0.337SS..PPolyproline II helixtrans-57146.2171.8-23.134.5000111.9F244 G245F244-P255 HydrophobicContact CD1-CB 4.03Å; F244-P255 HydrophobicContact CE1-CB 4.21Å; G245-P255 PolarHBondContact N-O 3.28Å
256L83.5Confident80.2Confident54 Ų5459.9 Ų59.928%0.28336%0.357SS..PPolyproline II helixtrans-63.3141.8174.9-58.3-174000110.1V166 V248 H251V166-L256 HydrophobicContact CG2-CD1 3.96Å; V248-L256 HydrophobicContact CG1-CD1 4.45Å; H251-L256 HydrophobicContact CB-CD2 3.72Å
257P77.9Confident79.9Confident31 Ų3161 Ų6120%0.20137%0.366CS..PPolyproline II helixtrans-68.2149.8175.829.9-32.3000109.7G245 Q259 S260G245-P257 WeakPolarHBondContact O-CD 3.34Å; G245-P257 WeakPolarHBondContact O-CG 3.3Å; P257-Q259 PolarHBondContact O-N 3.06Å; P257-Q259 VanDerWaalsContact O-N 3.11Å; P257-S260 WeakPolarHBondContact CG-OG 3.44Å; P257-S260 PolarHBondContact O-OG 3.21Å
258S62.5Low79.2Confident123 Ų12365.7 Ų65.786%0.8639%0.394SS*.THydrogen-bonded Turntrans-70.6-5.2-174.956.20000114.7
259Q55.7Low78.3Confident169 Ų16970.2 Ų70.279%0.7942%0.42SS*.THydrogen-bonded Turntrans-132.925.5-174.5-62.1-159.32.300114.8P257P257-Q259 PolarHBondContact O-N 3.06Å; P257-Q259 VanDerWaalsContact O-N 3.11Å
260S51.7Low77.2Confident13 Ų1372.9 Ų72.99%0.09142%0.421CS..  trans-96.9017552.50000113.6N165 V248 P257N165-S260 VanDerWaalsContact CG-O 3.25Å; N165-S260 PolarHBondContact OD1-O 2.98Å; V248-S260 WeakPolarHBondContact CG2-OG 3.44Å; P257-S260 WeakPolarHBondContact CG-OG 3.44Å; P257-S260 PolarHBondContact O-OG 3.21Å

Retrieved 260 of 260 residues in 144.7 ms (Link to these results)

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