YA031_YEAST Loading...

Putative uncharacterized membrane protein YAL031W-A

AlphaFold DB , UniProt , Accession A0A023PZ94, Species YEAST (Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Baker's yeast), Gene n/a, Length 102 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M35.1Very low44.7Very low209 Ų20995.3 Ų95.3100%1.0347%0.466SS*.  0118.70-69.9159.672.600105.9D3M1-D3 VanDerWaalsContact C-N 3.3Å; M1-D3 WeakPolarHBondContact CB-OD2 3.32Å; M1-D3 PolarHBondContact O-N 3.15Å
2K34.2Very low45.5Very low222 Ų22289.3 Ų89.397%0.96544%0.436SS*.  trans-86.881.8174.2-81.5-176.3174.1-176.60105.7M4K2-M4 PolarHBondContact O-N 3.27Å
3D37.3Very low46.3Very low118 Ų11883 Ų8363%0.63140%0.404SS*.  trans-75.2113.3-174.7-77-54.2000110.5M1M1-D3 VanDerWaalsContact C-N 3.3Å; M1-D3 WeakPolarHBondContact CB-OD2 3.32Å; M1-D3 PolarHBondContact O-N 3.15Å
4M38.3Very low46.9Very low160 Ų16081.7 Ų81.779%0.78840%0.396SS*.  trans43.196.6148.9-58.5-169.9108.400117.7K2 S6K2-M4 PolarHBondContact O-N 3.27Å; M4-S6 PolarHBondContact O-N 3.49Å
5N41.7Very low47.6Very low157 Ų15776.7 Ų76.784%0.8437%0.373SS*.  trans1773.4137-65.4-9.7000116I7N5-I7 VanDerWaalsContact C-N 3.34Å; N5-I7 PolarHBondContact O-N 3.35Å
6S46.4Very low48.1Very low25 Ų2585.4 Ų85.418%0.17540%0.4CS..  trans-76.688.6165.648.70000108.4M4 R8 P58M4-S6 PolarHBondContact O-N 3.49Å; S6-R8 PolarHBondContact O-N 3.49Å; S6-R8 VanDerWaalsContact O-N 3.1Å; S6-P58 WeakPolarHBondContact O-CB 3.44Å; S6-P58 WeakPolarHBondContact O-CD 3.37Å; S6-P58 WeakPolarHBondContact O-CG 2.88Å; S6-P58 WeakPolarHBondContact OG-CB 3.29Å; S6-P58 VanDerWaalsContact OG-CG 3.28Å; S6-P58 WeakPolarHBondContact OG-CG 3.38Å
7I47.7Very low48.9Very low49 Ų4984.5 Ų84.525%0.25140%0.399SS..  trans-70.1113.9174.4-57.9163.4000107.3N5 Y9 P41 L88N5-I7 VanDerWaalsContact C-N 3.34Å; N5-I7 PolarHBondContact O-N 3.35Å; I7-Y9 HydrophobicContact CG2-CD1 4.25Å; I7-Y9 HydrophobicContact CG2-CD2 4.12Å; I7-Y9 HydrophobicContact CG2-CE1 3.69Å; I7-Y9 HydrophobicContact CG2-CE2 3.58Å; I7-Y9 HydrophobicContact CG2-CG 4.44Å; I7-P41 HydrophobicContact CD1-CB 3.8Å; I7-L88 HydrophobicContact CB-CD1 4.43Å; I7-L88 PolarHBondContact O-N 2.77Å
8R50.6Low49.2Very low69 Ų6986.5 Ų86.526%0.2641%0.411SS..EExtended strand (participates in β ladder)trans-105.4126.2173.9-70.3177.8180155.84108.5S6 P58 Y85 L86 D87S6-R8 PolarHBondContact O-N 3.49Å; S6-R8 VanDerWaalsContact O-N 3.1Å; R8-P58 HydrophobicContact CB-CB 4.49Å; R8-P58 HydrophobicContact CG-CB 3.99Å; R8-P58 PolarHBondContact NH1-O 3.04Å; R8-P58 VanDerWaalsContact NH1-O 3.13Å; R8-Y85 HydrophobicContact CB-CE2 4.44Å; R8-Y85 WeakPolarHBondContact CD-OH 2.79Å; R8-Y85 PolarHBondContact NE-OH 2.83Å; R8-L86 CarbonylContact C-O 3.53Å; R8-L86 VanDerWaalsContact CA-O 3.29Å; R8-L86 WeakPolarHBondContact CA-O 3.47Å; R8-D87 IonicContact CZ-OD2 3.78Å; R8-D87 IonicContact NE-OD2 3.01Å; R8-D87 PolarHBondContact NE-OD2 3.34Å; R8-D87 IonicContact NH2-OD2 3.72Å
9Y50.9Low49.6Very low24 Ų2490.4 Ų90.49%0.09443%0.426CS..EExtended strand (participates in β ladder)trans-107.8135.1174.8-57.7-79000110.5I7 F11 V55 Y85 L86 L88I7-Y9 HydrophobicContact CG2-CD1 4.25Å; I7-Y9 HydrophobicContact CG2-CD2 4.12Å; I7-Y9 HydrophobicContact CG2-CE1 3.69Å; I7-Y9 HydrophobicContact CG2-CE2 3.58Å; I7-Y9 HydrophobicContact CG2-CG 4.44Å; Y9-F11 HydrophobicContact CD1-CZ 4.48Å; Y9-F11 HydrophobicContact CG-CE2 4.41Å; Y9-F11 AromaticContact CG-CZ 3.99Å; Y9-F11 HydrophobicContact CG-CZ 3.99Å; Y9-V55 HydrophobicContact CD1-CB 4.28Å; Y9-V55 HydrophobicContact CD1-CG1 3.69Å; Y9-V55 HydrophobicContact CD1-CG2 3.92Å; Y9-V55 HydrophobicContact CE1-CG1 3.74Å; Y9-V55 HydrophobicContact CE1-CG2 4.17Å; Y9-Y85 WeakPolarHBondContact O-CA 3.11Å; Y9-L86 HydrophobicContact CD2-CB 4.18Å; Y9-L86 HydrophobicContact CD2-CD1 4.31Å; Y9-L86 PolarHBondContact N-O 2.61Å; Y9-L86 PolarHBondContact O-N 3.08Å; Y9-L88 HydrophobicContact CD2-CD1 4.21Å; Y9-L88 HydrophobicContact CD2-CG 4.45Å; Y9-L88 HydrophobicContact CE2-CD1 3.49Å; Y9-L88 VanDerWaalsContact CE2-CD1 3.49Å; Y9-L88 HydrophobicContact CE2-CG 4.2Å
10V53.9Low50.1Low13 Ų1388.2 Ų88.28%0.07942%0.421CS..EExtended strand (participates in β ladder)trans-121116.3175.9-170.60000109.7F12 V54 V83 L84 Y85V10-F12 HydrophobicContact CB-CE2 4.31Å; V10-F12 HydrophobicContact CG1-CD2 4.37Å; V10-F12 HydrophobicContact CG1-CE1 4.21Å; V10-F12 HydrophobicContact CG1-CE2 3.6Å; V10-F12 HydrophobicContact CG1-CZ 3.52Å; V10-V54 CarbonylContact C-O 3.47Å; V10-V54 PolarHBondContact N-O 2.98Å; V10-V54 CarbonylContact O-C 3.58Å; V10-V54 PolarHBondContact O-N 3.03Å; V10-V83 HydrophobicContact CG1-CG1 3.84Å; V10-L84 CarbonylContact C-O 3.58Å; V10-L84 WeakPolarHBondContact CA-O 3.05Å; V10-Y85 HydrophobicContact CG2-CD2 4.12Å
11F55.4Low50.3Low2 Ų284 Ų841%0.00940%0.401CS..EExtended strand (participates in β ladder)trans-105.7130.1179.5-47.3-91.4000110.2Y9 F13 L32 M53 V83 L84 L86Y9-F11 HydrophobicContact CD1-CZ 4.48Å; Y9-F11 HydrophobicContact CG-CE2 4.41Å; Y9-F11 AromaticContact CG-CZ 3.99Å; Y9-F11 HydrophobicContact CG-CZ 3.99Å; F11-F13 HydrophobicContact CB-CD2 4.26Å; F11-F13 HydrophobicContact CB-CE2 3.48Å; F11-F13 VanDerWaalsContact CB-CE2 3.48Å; F11-F13 HydrophobicContact CB-CZ 3.73Å; F11-F13 HydrophobicContact CG-CE2 4.38Å; F11-F13 HydrophobicContact CG-CZ 4.37Å; F11-L32 HydrophobicContact CD1-CD1 3.33Å; F11-L32 HydrophobicContact CD1-CD2 4.17Å; F11-L32 HydrophobicContact CD1-CG 4.29Å; F11-L32 HydrophobicContact CD2-CD1 4.03Å; F11-L32 HydrophobicContact CE1-CD1 3.25Å; F11-L32 HydrophobicContact CE1-CD2 3.18Å; F11-L32 HydrophobicContact CE1-CG 3.75Å; F11-L32 HydrophobicContact CE2-CD1 3.93Å; F11-L32 HydrophobicContact CE2-CD2 4.15Å; F11-L32 HydrophobicContact CG-CD1 3.75Å; F11-L32 HydrophobicContact CZ-CD1 3.56Å; F11-L32 HydrophobicContact CZ-CD2 3.15Å; F11-L32 HydrophobicContact CZ-CG 3.93Å; F11-M53 HydrophobicContact CD1-CG 3.62Å; F11-M53 HydrophobicContact CD1-SD 4.04Å; F11-M53 HydrophobicContact CE1-CG 3.64Å; F11-M53 HydrophobicContact CE1-SD 3.61Å; F11-V83 VanDerWaalsContact O-CA 3.28Å; F11-V83 WeakPolarHBondContact O-CA 3.28Å; F11-L84 HydrophobicContact CB-CB 3.94Å; F11-L84 HydrophobicContact CD2-CB 3.69Å; F11-L84 HydrophobicContact CD2-CD2 3.55Å; F11-L84 HydrophobicContact CD2-CG 3.72Å; F11-L84 WeakPolarHBondContact CD2-O 3.46Å; F11-L84 HydrophobicContact CE2-CD2 4.01Å; F11-L84 HydrophobicContact CE2-CG 4.35Å; F11-L84 HydrophobicContact CG-CB 4.19Å; F11-L84 HydrophobicContact CG-CD2 4.18Å; F11-L84 PolarHBondContact N-O 2.87Å; F11-L84 PolarHBondContact O-N 2.95Å; F11-L86 HydrophobicContact CD2-CD1 4.42Å; F11-L86 HydrophobicContact CE2-CB 4.42Å; F11-L86 HydrophobicContact CE2-CD1 3.33Å; F11-L86 HydrophobicContact CE2-CG 3.71Å; F11-L86 HydrophobicContact CZ-CD1 3.74Å
12F55Low51.2Low24 Ų2479.2 Ų79.211%0.10538%0.375CS..EExtended strand (participates in β ladder)trans-108.8112.5173.5-62.1-80.8000109.7V10 F14 I52 V54 P67 L81 V83V10-F12 HydrophobicContact CB-CE2 4.31Å; V10-F12 HydrophobicContact CG1-CD2 4.37Å; V10-F12 HydrophobicContact CG1-CE1 4.21Å; V10-F12 HydrophobicContact CG1-CE2 3.6Å; V10-F12 HydrophobicContact CG1-CZ 3.52Å; F12-F14 HydrophobicContact CB-CE2 4Å; F12-I52 PolarHBondContact N-O 3.26Å; F12-I52 PolarHBondContact O-N 3.01Å; F12-V54 HydrophobicContact CD2-CB 4.11Å; F12-V54 HydrophobicContact CD2-CG2 3.8Å; F12-V54 HydrophobicContact CE2-CB 3.99Å; F12-V54 HydrophobicContact CE2-CG2 3.99Å; F12-P67 HydrophobicContact CE1-CB 3.9Å; F12-P67 HydrophobicContact CE1-CG 4.41Å; F12-P67 HydrophobicContact CZ-CB 4.34Å; F12-P67 HydrophobicContact CZ-CG 4.46Å; F12-L81 HydrophobicContact CB-CD1 4.39Å; F12-L81 HydrophobicContact CD1-CD1 4.29Å; F12-V83 HydrophobicContact CD1-CG1 4.48Å; F12-V83 HydrophobicContact CD1-CG2 3.94Å; F12-V83 HydrophobicContact CE1-CG1 4.1Å; F12-V83 HydrophobicContact CE1-CG2 3.96Å
13F55.4Low52.3Low7 Ų776.4 Ų76.43%0.03136%0.359CS..EExtended strand (participates in β ladder)trans-102.8125.2174.8-60.3-75.2000110F11 V25 Y28 I48 L81 S82 L84F11-F13 HydrophobicContact CB-CD2 4.26Å; F11-F13 HydrophobicContact CB-CE2 3.48Å; F11-F13 VanDerWaalsContact CB-CE2 3.48Å; F11-F13 HydrophobicContact CB-CZ 3.73Å; F11-F13 HydrophobicContact CG-CE2 4.38Å; F11-F13 HydrophobicContact CG-CZ 4.37Å; F13-V25 HydrophobicContact CB-CG2 4.13Å; F13-V25 HydrophobicContact CD2-CG2 3.83Å; F13-V25 HydrophobicContact CG-CG2 4.05Å; F13-Y28 AromaticContact CD1-CD2 3.46Å; F13-Y28 HydrophobicContact CD1-CD2 3.46Å; F13-Y28 VanDerWaalsContact CD1-CD2 3.46Å; F13-Y28 HydrophobicContact CD1-CE2 4.04Å; F13-Y28 HydrophobicContact CD1-CG 4.13Å; F13-Y28 HydrophobicContact CE1-CD1 4.3Å; F13-Y28 AromaticContact CE1-CD2 3.17Å; F13-Y28 HydrophobicContact CE1-CD2 3.17Å; F13-Y28 HydrophobicContact CE1-CE2 4.05Å; F13-Y28 AromaticContact CE1-CG 3.35Å; F13-Y28 HydrophobicContact CE1-CG 3.35Å; F13-Y28 VanDerWaalsContact CZ-CB 3.44Å; F13-Y28 HydrophobicContact CZ-CD2 4.11Å; F13-Y28 HydrophobicContact CZ-CG 4.01Å; F13-I48 HydrophobicContact CE1-CD1 4.48Å; F13-L81 WeakPolarHBondContact O-CA 3.25Å; F13-S82 PolarHBondContact N-O 3.4Å; F13-S82 PolarHBondContact O-N 3.45Å; F13-L84 HydrophobicContact CE2-CB 4.13Å
14F54.6Low53.3Low65 Ų6573.4 Ų73.429%0.28534%0.341SS..EExtended strand (participates in β ladder)trans-111.4121.9175.6-72.6-89.8000109.5F12 N50 L71 V75 L81F12-F14 HydrophobicContact CB-CE2 4Å; F14-N50 PolarHBondContact N-O 2.91Å; F14-L71 HydrophobicContact CE1-CD2 3.41Å; F14-L71 VanDerWaalsContact CE1-CD2 3.41Å; F14-L71 HydrophobicContact CZ-CD2 3.39Å; F14-V75 HydrophobicContact CE1-CG2 3.98Å; F14-L81 HydrophobicContact CD1-CD1 3.93Å; F14-L81 HydrophobicContact CD2-CD1 4.11Å; F14-L81 HydrophobicContact CE1-CD1 3.58Å; F14-L81 HydrophobicContact CE2-CD1 3.75Å; F14-L81 HydrophobicContact CG-CD1 4.2Å; F14-L81 HydrophobicContact CZ-CD1 3.49Å; F14-L81 VanDerWaalsContact CZ-CD1 3.49Å
15S57.4Low54.1Low7 Ų766.3 Ų66.35%0.04931%0.306CS..EExtended strand (participates in β ladder)trans-131.8138.8173.1-172.10000110.5D17 S20 C21 S79 C80S15-D17 WeakPolarHBondContact CB-O 3.35Å; S15-D17 PolarHBondContact O-N 3.12Å; S15-D17 PolarHBondContact OG-N 3.09Å; S15-D17 PolarHBondContact OG-O 2.62Å; S15-S20 WeakPolarHBondContact OG-CB 3.33Å; S15-C21 PolarHBondContact OG-N 2.91Å; S15-S79 CarbonylContact O-C 3.4Å; S15-S79 VanDerWaalsContact O-CA 3.28Å; S15-S79 WeakPolarHBondContact O-CA 3.44Å; S15-C80 PolarHBondContact N-O 3.22Å; S15-C80 PolarHBondContact O-N 3.21Å
16R55.6Low54.8Low215 Ų21566.5 Ų66.581%0.81130%0.295SS*.SBendtrans-77.7-4.1172.9-68.1-174.9177.1-179.4-0.1113.4S78R16-S78 CarbonylContact C-O 3.54Å
17D61.3Low55.5Low71 Ų7168.9 Ų68.938%0.3831%0.312SS..SBendtrans-136.1127.4177.2164.928.2000108.4S15 K19 S20 C21S15-D17 WeakPolarHBondContact CB-O 3.35Å; S15-D17 PolarHBondContact O-N 3.12Å; S15-D17 PolarHBondContact OG-N 3.09Å; S15-D17 PolarHBondContact OG-O 2.62Å; D17-K19 VanDerWaalsContact C-N 3.32Å; D17-K19 PolarHBondContact O-N 3.06Å; D17-K19 PolarHBondContact OD1-N 2.84Å; D17-S20 CarbonylContact O-C 3.44Å; D17-S20 WeakPolarHBondContact O-CB 3.15Å; D17-S20 PolarHBondContact O-N 3.42Å; D17-S20 WeakPolarHBondContact OD2-CB 3.01Å; D17-S20 PolarHBondContact OD2-N 3.36Å; D17-S20 VanDerWaalsContact OD2-N 3.1Å; D17-S20 PolarHBondContact OD2-OG 3.06Å; D17-C21 PolarHBondContact O-N 3.35Å
18I55.1Low56.1Low120 Ų12068.2 Ų68.262%0.61531%0.306SS*.Hα-helixtrans-61.7-39.7-178.7-64.5168.3000110.7C21 F22 C80I18-C21 WeakPolarHBondContact O-CB 3.36Å; I18-C21 PolarHBondContact O-N 3.03Å; I18-C21 VanDerWaalsContact O-N 3.13Å; I18-F22 PolarHBondContact O-N 3.19Å; I18-C80 HydrophobicContact CG1-CB 4.15Å
19K56.7Low56.5Low160 Ų16066.1 Ų66.170%0.69630%0.3SS*.Hα-helixtrans-65.9-46177.4-68.9-176.8179.3179.50110.4D17 C21 F22 Y23D17-K19 VanDerWaalsContact C-N 3.32Å; D17-K19 PolarHBondContact O-N 3.06Å; D17-K19 PolarHBondContact OD1-N 2.84Å; K19-C21 PolarHBondContact O-N 3.08Å; K19-F22 PolarHBondContact O-N 3.29Å; K19-Y23 VanDerWaalsContact O-CD2 3.25Å; K19-Y23 WeakPolarHBondContact O-CD2 3.43Å; K19-Y23 PolarHBondContact O-N 3.01Å
20S59.5Low56.9Low46 Ų4669.1 Ų69.132%0.32232%0.318SS..Hα-helixtrans-60.4-30172.7-650000113S15 D17 K24S15-S20 WeakPolarHBondContact OG-CB 3.33Å; D17-S20 CarbonylContact O-C 3.44Å; D17-S20 WeakPolarHBondContact O-CB 3.15Å; D17-S20 PolarHBondContact O-N 3.42Å; D17-S20 WeakPolarHBondContact OD2-CB 3.01Å; D17-S20 PolarHBondContact OD2-N 3.36Å; D17-S20 VanDerWaalsContact OD2-N 3.1Å; D17-S20 PolarHBondContact OD2-OG 3.06Å; S20-K24 WeakPolarHBondContact O-CB 2.99Å; S20-K24 WeakPolarHBondContact O-CD 3.11Å; S20-K24 WeakPolarHBondContact O-CG 3.26Å; S20-K24 PolarHBondContact O-N 3.13Å
21C55.2Low57.2Low1 Ų172.3 Ų72.31%0.00733%0.334CS..Hα-helixtrans-62.3-51.7176.2-155.30000110.5S15 D17 I18 K19 Y23 K24 V25 C80 S82S15-C21 PolarHBondContact OG-N 2.91Å; D17-C21 PolarHBondContact O-N 3.35Å; I18-C21 WeakPolarHBondContact O-CB 3.36Å; I18-C21 PolarHBondContact O-N 3.03Å; I18-C21 VanDerWaalsContact O-N 3.13Å; K19-C21 PolarHBondContact O-N 3.08Å; C21-Y23 PolarHBondContact O-N 3.25Å; C21-K24 PolarHBondContact O-N 2.05Å; C21-V25 VanDerWaalsContact O-CG2 3.23Å; C21-V25 WeakPolarHBondContact O-CG2 3.34Å; C21-V25 PolarHBondContact O-N 2.95Å; C21-C80 HydrophobicContact CB-CB 3.53Å; C21-C80 WeakPolarHBondContact CB-SG 3.38Å; C21-C80 WeakPolarHBondContact SG-CB 3.47Å; C21-C80 CovalentContact SG-SG 2.05Å; C21-C80 PolarHBondContact SG-SG 3.03Å; C21-S82 PolarHBondContact SG-OG 3.43Å
22F52.6Low57.3Low109 Ų10972.9 Ų72.948%0.47834%0.337SS..Hα-helixtrans-61.9-46.5-178.8-173.2-95.9000112.7I18 K19 K24 V25 R26I18-F22 PolarHBondContact O-N 3.19Å; K19-F22 PolarHBondContact O-N 3.29Å; F22-K24 VanDerWaalsContact C-N 3.33Å; F22-K24 PolarHBondContact O-N 3.19Å; F22-V25 PolarHBondContact O-N 3.21Å; F22-R26 WeakPolarHBondContact O-CB 3.02Å; F22-R26 PolarHBondContact O-N 3.1Å
23Y58.1Low57.3Low163 Ų16375.8 Ų75.864%0.63935%0.353SS*.Hα-helixtrans-62.5-41.6176.7-77.5-70.9000112K19 C21 R26 S27K19-Y23 VanDerWaalsContact O-CD2 3.25Å; K19-Y23 WeakPolarHBondContact O-CD2 3.43Å; K19-Y23 PolarHBondContact O-N 3.01Å; C21-Y23 PolarHBondContact O-N 3.25Å; Y23-R26 PolarHBondContact O-N 3.24Å; Y23-S27 WeakPolarHBondContact O-CB 3.44Å; Y23-S27 PolarHBondContact O-N 2.99Å; Y23-S27 PolarHBondContact O-OG 3.48Å; Y23-S27 VanDerWaalsContact O-OG 3.13Å
24K58Low57.3Low55 Ų5580.1 Ų80.124%0.23938%0.376CS..Hα-helixtrans-62.5-51.3176.6-79.2173.8-176179.30111.1S20 C21 F22 R26 S27 Y28 N50S20-K24 WeakPolarHBondContact O-CB 2.99Å; S20-K24 WeakPolarHBondContact O-CD 3.11Å; S20-K24 WeakPolarHBondContact O-CG 3.26Å; S20-K24 PolarHBondContact O-N 3.13Å; C21-K24 PolarHBondContact O-N 2.05Å; F22-K24 VanDerWaalsContact C-N 3.33Å; F22-K24 PolarHBondContact O-N 3.19Å; K24-R26 VanDerWaalsContact C-N 3.27Å; K24-R26 PolarHBondContact O-N 2.83Å; K24-S27 PolarHBondContact O-N 2.64Å; K24-Y28 VanDerWaalsContact C-CD2 3.46Å; K24-Y28 HydrophobicContact CB-CD2 3.94Å; K24-Y28 HydrophobicContact CB-CE2 3.74Å; K24-Y28 HydrophobicContact CG-CE2 4.04Å; K24-Y28 WeakPolarHBondContact O-CB 3.37Å; K24-Y28 WeakPolarHBondContact O-CD2 3.35Å; K24-Y28 PolarHBondContact O-N 3.25Å; K24-N50 PolarHBondContact NZ-ND2 3.28Å
25V54.6Low57.3Low10 Ų1079.3 Ų79.36%0.06137%0.374CS..Hα-helixtrans-54.9-45.6178.9173.60000110.8F13 C21 F22 Y28 L29 S82F13-V25 HydrophobicContact CB-CG2 4.13Å; F13-V25 HydrophobicContact CD2-CG2 3.83Å; F13-V25 HydrophobicContact CG-CG2 4.05Å; C21-V25 VanDerWaalsContact O-CG2 3.23Å; C21-V25 WeakPolarHBondContact O-CG2 3.34Å; C21-V25 PolarHBondContact O-N 2.95Å; F22-V25 PolarHBondContact O-N 3.21Å; V25-Y28 PolarHBondContact O-N 2.9Å; V25-L29 VanDerWaalsContact O-CB 3.29Å; V25-L29 WeakPolarHBondContact O-CB 3.45Å; V25-L29 PolarHBondContact O-N 3.02Å; V25-S82 WeakPolarHBondContact CG2-OG 3.47Å
26R56.7Low57.1Low161 Ų16181.8 Ų81.861%0.60839%0.385SS*.Hα-helixtrans-66.4-43.8178.6-171.5174-179.11650.5112.9F22 Y23 K24 Y28 L29 N30F22-R26 WeakPolarHBondContact O-CB 3.02Å; F22-R26 PolarHBondContact O-N 3.1Å; Y23-R26 PolarHBondContact O-N 3.24Å; K24-R26 VanDerWaalsContact C-N 3.27Å; K24-R26 PolarHBondContact O-N 2.83Å; R26-Y28 VanDerWaalsContact C-N 3.33Å; R26-L29 PolarHBondContact O-N 3.2Å; R26-N30 PolarHBondContact O-N 3.36Å; R26-N30 VanDerWaalsContact O-N 3.1Å
27S60.6Low56.6Low75 Ų7575.7 Ų75.752%0.52438%0.38SS..Hα-helixtrans-63.9-39176.2-69.80000112Y23 K24 N30 L31Y23-S27 WeakPolarHBondContact O-CB 3.44Å; Y23-S27 PolarHBondContact O-N 2.99Å; Y23-S27 PolarHBondContact O-OG 3.48Å; Y23-S27 VanDerWaalsContact O-OG 3.13Å; K24-S27 PolarHBondContact O-N 2.64Å; S27-N30 PolarHBondContact O-N 2.92Å; S27-L31 PolarHBondContact O-N 3.42Å
28Y61.8Low55.9Low36 Ų3678 Ų7814%0.14139%0.392CS..Hα-helixtrans-74.5-33.2177.4-69.5-57.5000112.6F13 K24 V25 R26 N30 L31 L32 I48 P49F13-Y28 AromaticContact CD1-CD2 3.46Å; F13-Y28 HydrophobicContact CD1-CD2 3.46Å; F13-Y28 VanDerWaalsContact CD1-CD2 3.46Å; F13-Y28 HydrophobicContact CD1-CE2 4.04Å; F13-Y28 HydrophobicContact CD1-CG 4.13Å; F13-Y28 HydrophobicContact CE1-CD1 4.3Å; F13-Y28 AromaticContact CE1-CD2 3.17Å; F13-Y28 HydrophobicContact CE1-CD2 3.17Å; F13-Y28 HydrophobicContact CE1-CE2 4.05Å; F13-Y28 AromaticContact CE1-CG 3.35Å; F13-Y28 HydrophobicContact CE1-CG 3.35Å; F13-Y28 VanDerWaalsContact CZ-CB 3.44Å; F13-Y28 HydrophobicContact CZ-CD2 4.11Å; F13-Y28 HydrophobicContact CZ-CG 4.01Å; K24-Y28 VanDerWaalsContact C-CD2 3.46Å; K24-Y28 HydrophobicContact CB-CD2 3.94Å; K24-Y28 HydrophobicContact CB-CE2 3.74Å; K24-Y28 HydrophobicContact CG-CE2 4.04Å; K24-Y28 WeakPolarHBondContact O-CB 3.37Å; K24-Y28 WeakPolarHBondContact O-CD2 3.35Å; K24-Y28 PolarHBondContact O-N 3.25Å; V25-Y28 PolarHBondContact O-N 2.9Å; R26-Y28 VanDerWaalsContact C-N 3.33Å; Y28-N30 VanDerWaalsContact C-N 3.32Å; Y28-L31 HydrophobicContact CD1-CD2 4.22Å; Y28-L31 CarbonylContact O-C 3.55Å; Y28-L31 WeakPolarHBondContact O-CB 3.41Å; Y28-L31 PolarHBondContact O-N 3.42Å; Y28-L32 VanDerWaalsContact O-CB 3.25Å; Y28-L32 WeakPolarHBondContact O-CB 3.38Å; Y28-L32 WeakPolarHBondContact O-CD1 3.23Å; Y28-L32 PolarHBondContact O-N 3.25Å; Y28-I48 HydrophobicContact CD1-CD1 4.16Å; Y28-I48 HydrophobicContact CD1-CG2 3.79Å; Y28-I48 HydrophobicContact CE1-CB 4.46Å; Y28-I48 HydrophobicContact CE1-CD1 4.45Å; Y28-I48 HydrophobicContact CE1-CG2 3.06Å; Y28-I48 HydrophobicContact CE2-CG2 3.98Å; Y28-I48 VanDerWaalsContact OH-CG2 3.29Å; Y28-I48 WeakPolarHBondContact OH-CG2 3.29Å; Y28-P49 PolarHBondContact OH-O 2.77Å
29L59.1Low55.3Low25 Ų2575.9 Ų75.913%0.13138%0.381CS..Hα-helixtrans-59.4-45.5170.5-173.576.1000110.4V25 R26 L31 L32 L33 L84 L93 I95V25-L29 VanDerWaalsContact O-CB 3.29Å; V25-L29 WeakPolarHBondContact O-CB 3.45Å; V25-L29 PolarHBondContact O-N 3.02Å; R26-L29 PolarHBondContact O-N 3.2Å; L29-L31 VanDerWaalsContact C-N 3.35Å; L29-L31 PolarHBondContact O-N 3.29Å; L29-L32 PolarHBondContact O-N 3.04Å; L29-L33 HydrophobicContact CG-CD1 4.22Å; L29-L33 WeakPolarHBondContact O-CB 3.21Å; L29-L33 VanDerWaalsContact O-CG 3.27Å; L29-L33 WeakPolarHBondContact O-CG 3.13Å; L29-L33 PolarHBondContact O-N 3.27Å; L29-L84 HydrophobicContact CD1-CD1 3.94Å; L29-L84 HydrophobicContact CD1-CD2 3.58Å; L29-L84 HydrophobicContact CD1-CG 4.41Å; L29-L93 HydrophobicContact CD1-CD1 3.72Å; L29-L93 HydrophobicContact CD1-CD2 4.23Å; L29-L93 HydrophobicContact CD2-CD2 4.29Å; L29-I95 HydrophobicContact CD2-CD1 4.35Å
30N58.2Low54.5Low86 Ų8673.7 Ų73.746%0.4639%0.385SS..Hα-helixtrans-62.4-42174.7-72-19000111.8R26 S27 Y28 L32 I34R26-N30 PolarHBondContact O-N 3.36Å; R26-N30 VanDerWaalsContact O-N 3.1Å; S27-N30 PolarHBondContact O-N 2.92Å; Y28-N30 VanDerWaalsContact C-N 3.32Å; N30-L32 VanDerWaalsContact C-N 3.29Å; N30-L32 PolarHBondContact O-N 3.45Å; N30-I34 WeakPolarHBondContact O-CD1 3.4Å; N30-I34 WeakPolarHBondContact O-CG1 3.28Å; N30-I34 PolarHBondContact O-N 2.88Å; N30-I34 VanDerWaalsContact O-N 3.08Å
31L59.7Low53.8Low81 Ų8175.5 Ų75.542%0.42440%0.395SS..Hα-helixtrans-62.2-38.7174.9-169.778.8000111.5S27 Y28 L29 I34 L35S27-L31 PolarHBondContact O-N 3.42Å; Y28-L31 HydrophobicContact CD1-CD2 4.22Å; Y28-L31 CarbonylContact O-C 3.55Å; Y28-L31 WeakPolarHBondContact O-CB 3.41Å; Y28-L31 PolarHBondContact O-N 3.42Å; L29-L31 VanDerWaalsContact C-N 3.35Å; L29-L31 PolarHBondContact O-N 3.29Å; L31-I34 WeakPolarHBondContact O-CB 3.37Å; L31-I34 PolarHBondContact O-N 3.49Å; L31-L35 HydrophobicContact CD2-CD1 4.23Å; L31-L35 HydrophobicContact CG-CD1 4.04Å; L31-L35 WeakPolarHBondContact O-CB 3.13Å; L31-L35 VanDerWaalsContact O-CG 3.29Å; L31-L35 WeakPolarHBondContact O-CG 3.16Å; L31-L35 PolarHBondContact O-N 2.89Å
32L58.6Low52.9Low13 Ų1377.7 Ų77.77%0.06841%0.409CS..Hα-helixtrans-70.9-41.6-179.8-94.3152.8000112.9F11 Y28 L29 N30 I34 L35 E36 L84 L86F11-L32 HydrophobicContact CD1-CD1 3.33Å; F11-L32 HydrophobicContact CD1-CD2 4.17Å; F11-L32 HydrophobicContact CD1-CG 4.29Å; F11-L32 HydrophobicContact CD2-CD1 4.03Å; F11-L32 HydrophobicContact CE1-CD1 3.25Å; F11-L32 HydrophobicContact CE1-CD2 3.18Å; F11-L32 HydrophobicContact CE1-CG 3.75Å; F11-L32 HydrophobicContact CE2-CD1 3.93Å; F11-L32 HydrophobicContact CE2-CD2 4.15Å; F11-L32 HydrophobicContact CG-CD1 3.75Å; F11-L32 HydrophobicContact CZ-CD1 3.56Å; F11-L32 HydrophobicContact CZ-CD2 3.15Å; F11-L32 HydrophobicContact CZ-CG 3.93Å; Y28-L32 VanDerWaalsContact O-CB 3.25Å; Y28-L32 WeakPolarHBondContact O-CB 3.38Å; Y28-L32 WeakPolarHBondContact O-CD1 3.23Å; Y28-L32 PolarHBondContact O-N 3.25Å; L29-L32 PolarHBondContact O-N 3.04Å; N30-L32 VanDerWaalsContact C-N 3.29Å; N30-L32 PolarHBondContact O-N 3.45Å; L32-I34 PolarHBondContact O-N 3.29Å; L32-L35 CarbonylContact O-C 3.57Å; L32-L35 PolarHBondContact O-N 3.04Å; L32-L35 VanDerWaalsContact O-N 3.13Å; L32-E36 WeakPolarHBondContact O-CB 3.34Å; L32-E36 PolarHBondContact O-N 3.21Å; L32-L84 HydrophobicContact CD1-CD2 4.11Å; L32-L86 HydrophobicContact CD2-CD1 4.48Å
33L55.4Low52.1Low85 Ų8579.1 Ų79.145%0.44542%0.421SS..Hα-helixtrans-61.7-34.8171.6-69.7167.8000111.2L29 A37L29-L33 HydrophobicContact CG-CD1 4.22Å; L29-L33 WeakPolarHBondContact O-CB 3.21Å; L29-L33 VanDerWaalsContact O-CG 3.27Å; L29-L33 WeakPolarHBondContact O-CG 3.13Å; L29-L33 PolarHBondContact O-N 3.27Å; L33-A37 PolarHBondContact O-N 3.34Å
34I54.7Low51Low99 Ų9974.4 Ų74.451%0.50841%0.412SS..Hα-helixtrans-70-41.5172.7-67163.5000111N30 L31 L32 A37 I38N30-I34 WeakPolarHBondContact O-CD1 3.4Å; N30-I34 WeakPolarHBondContact O-CG1 3.28Å; N30-I34 PolarHBondContact O-N 2.88Å; N30-I34 VanDerWaalsContact O-N 3.08Å; L31-I34 WeakPolarHBondContact O-CB 3.37Å; L31-I34 PolarHBondContact O-N 3.49Å; L32-I34 PolarHBondContact O-N 3.29Å; I34-A37 WeakPolarHBondContact O-CB 3.5Å; I34-A37 PolarHBondContact O-N 3.05Å; I34-I38 HydrophobicContact CG2-CD1 3.82Å; I34-I38 WeakPolarHBondContact O-CD1 3.46Å; I34-I38 VanDerWaalsContact O-CG1 3.25Å; I34-I38 WeakPolarHBondContact O-CG1 3.25Å; I34-I38 PolarHBondContact O-N 3.07Å
35L53.4Low50.1Low47 Ų4777.8 Ų77.825%0.24643%0.432CS..Hα-helixtrans-70.8-37.5179-74165.4000112.2L31 L32 A37 I38 L39L31-L35 HydrophobicContact CD2-CD1 4.23Å; L31-L35 HydrophobicContact CG-CD1 4.04Å; L31-L35 WeakPolarHBondContact O-CB 3.13Å; L31-L35 VanDerWaalsContact O-CG 3.29Å; L31-L35 WeakPolarHBondContact O-CG 3.16Å; L31-L35 PolarHBondContact O-N 2.89Å; L32-L35 CarbonylContact O-C 3.57Å; L32-L35 PolarHBondContact O-N 3.04Å; L32-L35 VanDerWaalsContact O-N 3.13Å; L35-A37 PolarHBondContact O-N 2.99Å; L35-I38 CarbonylContact O-C 3.55Å; L35-I38 PolarHBondContact O-N 3.43Å; L35-L39 HydrophobicContact CB-CD1 4.38Å; L35-L39 HydrophobicContact CD2-CD1 3.6Å; L35-L39 WeakPolarHBondContact O-CB 3.37Å; L35-L39 PolarHBondContact O-N 3.37Å
36E53.3Low49.4Very low60 Ų6080.1 Ų80.128%0.2844%0.443SS..Hα-helixtrans-62-33.8171.4-81.9-170.5158.600111.8L32 I38 L86 L88L32-E36 WeakPolarHBondContact O-CB 3.34Å; L32-E36 PolarHBondContact O-N 3.21Å; E36-I38 PolarHBondContact O-N 3.43Å; E36-L86 WeakPolarHBondContact OE1-CD1 3.33Å; E36-L88 VanDerWaalsContact OE1-CD2 3.23Å; E36-L88 WeakPolarHBondContact OE1-CD2 3.45Å
37A47Very low48.5Very low87 Ų8777.7 Ų77.772%0.71945%0.451SS*.THydrogen-bonded Turntrans-70-15.9173.100000113.4L33 I34 L35L33-A37 PolarHBondContact O-N 3.34Å; I34-A37 WeakPolarHBondContact O-CB 3.5Å; I34-A37 PolarHBondContact O-N 3.05Å; L35-A37 PolarHBondContact O-N 2.99Å
38I45.3Very low47.7Very low120 Ų12074.9 Ų74.962%0.61543%0.43SS*.THydrogen-bonded Turntrans-113.6-27.9-173.2-62.7168.7000112.5I34 L35 E36I34-I38 HydrophobicContact CG2-CD1 3.82Å; I34-I38 WeakPolarHBondContact O-CD1 3.46Å; I34-I38 VanDerWaalsContact O-CG1 3.25Å; I34-I38 WeakPolarHBondContact O-CG1 3.25Å; I34-I38 PolarHBondContact O-N 3.07Å; L35-I38 CarbonylContact O-C 3.55Å; L35-I38 PolarHBondContact O-N 3.43Å; E36-I38 PolarHBondContact O-N 3.43Å
39L42.6Very low46.5Very low74 Ų7477.9 Ų77.939%0.38745%0.454SS..  trans-123.6104.8-164.6-66170.7000113.2L35 V42L35-L39 HydrophobicContact CB-CD1 4.38Å; L35-L39 HydrophobicContact CD2-CD1 3.6Å; L35-L39 WeakPolarHBondContact O-CB 3.37Å; L35-L39 PolarHBondContact O-N 3.37Å; L39-V42 HydrophobicContact CB-CG2 4Å; L39-V42 HydrophobicContact CD1-CG2 4.34Å; L39-V42 HydrophobicContact CD2-CG2 4.14Å; L39-V42 HydrophobicContact CG-CG2 4.39Å
40C39.8Very low45.9Very low115 Ų11581.6 Ų81.678%0.77747%0.474SS*.SBendtrans-59157.1154.2-133.30000109.9V42C40-V42 WeakPolarHBondContact O-CG2 3Å; C40-V42 PolarHBondContact O-N 3.19Å
41P44.1Very low45.3Very low84 Ų8478 Ų7855%0.54546%0.457SS..  trans-54.1120.3-146.326.2-32.4000112.9I7I7-P41 HydrophobicContact CD1-CB 3.8Å
42V37.6Very low44.7Very low47 Ų4778.9 Ų78.929%0.28546%0.461SS..  trans-108.3105.6176.3-175.90000108L39 C40 S44L39-V42 HydrophobicContact CB-CG2 4Å; L39-V42 HydrophobicContact CD1-CG2 4.34Å; L39-V42 HydrophobicContact CD2-CG2 4.14Å; L39-V42 HydrophobicContact CG-CG2 4.39Å; C40-V42 WeakPolarHBondContact O-CG2 3Å; C40-V42 PolarHBondContact O-N 3.19Å; V42-S44 VanDerWaalsContact CG1-CB 3.4Å; V42-S44 WeakPolarHBondContact CG1-OG 3.29Å; V42-S44 PolarHBondContact O-N 3.43Å
43D36.1Very low44.1Very low139 Ų13978.9 Ų78.974%0.74346%0.461SS*.  trans-65.425.8170.4-76.4-37.1000113.6
44S34.3Very low43.7Very low63 Ų6375.3 Ų75.344%0.44144%0.443SS..  trans-110.6128.4-169.4-49.90000111.6V42 I46 M53V42-S44 VanDerWaalsContact CG1-CB 3.4Å; V42-S44 WeakPolarHBondContact CG1-OG 3.29Å; V42-S44 PolarHBondContact O-N 3.43Å; S44-I46 PolarHBondContact O-N 2.97Å; S44-I46 VanDerWaalsContact O-N 3.12Å; S44-M53 WeakPolarHBondContact O-CE 3.45Å
45L38.6Very low43.3Very low127 Ų12772.1 Ų72.167%0.66543%0.428SS*.  trans-60.1110163.3-67.5165.1000108.4M53L45-M53 VanDerWaalsContact CD2-O 3.23Å; L45-M53 WeakPolarHBondContact CD2-O 3.37Å
46I40.2Very low43Very low58 Ų5870.3 Ų70.330%0.29742%0.419SS..  trans-88.5112.7168.7-59.9178.1000107.6S44 I48 M53S44-I46 PolarHBondContact O-N 2.97Å; S44-I46 VanDerWaalsContact O-N 3.12Å; I46-I48 HydrophobicContact CG2-CG1 4.17Å; I46-I48 PolarHBondContact O-N 2.99Å; I46-M53 HydrophobicContact CB-CB 4.28Å; I46-M53 HydrophobicContact CB-CE 3.5Å; I46-M53 HydrophobicContact CB-SD 3.65Å; I46-M53 HydrophobicContact CD1-CE 3.43Å; I46-M53 VanDerWaalsContact CD1-CE 3.43Å; I46-M53 HydrophobicContact CD1-SD 3.98Å; I46-M53 HydrophobicContact CG1-CE 3.31Å; I46-M53 HydrophobicContact CG1-SD 4.05Å; I46-M53 WeakPolarHBondContact O-CB 3.12Å; I46-M53 PolarHBondContact O-N 3.01Å
47S37.1Very low42.5Very low111 Ų11173.7 Ų73.778%0.77644%0.435SS*.EExtended strand (participates in β ladder)trans-71.2120.9169.2178.10000109.1
48I44.4Very low42.4Very low16 Ų1670.4 Ų70.48%0.08241%0.406CS..EExtended strand (participates in β ladder)trans-106.7137.5176.2-63.8178.7000108.2F13 Y28 I46 N50 G51F13-I48 HydrophobicContact CE1-CD1 4.48Å; Y28-I48 HydrophobicContact CD1-CD1 4.16Å; Y28-I48 HydrophobicContact CD1-CG2 3.79Å; Y28-I48 HydrophobicContact CE1-CB 4.46Å; Y28-I48 HydrophobicContact CE1-CD1 4.45Å; Y28-I48 HydrophobicContact CE1-CG2 3.06Å; Y28-I48 HydrophobicContact CE2-CG2 3.98Å; Y28-I48 VanDerWaalsContact OH-CG2 3.29Å; Y28-I48 WeakPolarHBondContact OH-CG2 3.29Å; I46-I48 HydrophobicContact CG2-CG1 4.17Å; I46-I48 PolarHBondContact O-N 2.99Å; I48-N50 PolarHBondContact O-N 3.13Å; I48-G51 PolarHBondContact N-O 2.85Å; I48-G51 PolarHBondContact O-N 2.93Å
49P37.5Very low42.3Very low99 Ų9971.5 Ų71.564%0.64341%0.413SS*.THydrogen-bonded Turntrans-59.3113.4174.620.7-29.7000110.6Y28Y28-P49 PolarHBondContact OH-O 2.77Å
50N45.8Very low42.3Very low102 Ų10269.5 Ų69.555%0.54541%0.405SS..THydrogen-bonded Turntrans80.321.6-172.7-47.3-59.8000117.1F14 K24 I48F14-N50 PolarHBondContact N-O 2.91Å; K24-N50 PolarHBondContact NZ-ND2 3.28Å; I48-N50 PolarHBondContact O-N 3.13Å
51G45.8Very low42.4Very low10 Ų1068.9 Ų68.910%0.10340%0.4CS..EExtended strand (participates in β ladder)trans-161.9162174.200000112.4I48I48-G51 PolarHBondContact N-O 2.85Å; I48-G51 PolarHBondContact O-N 2.93Å
52I46.6Very low42.3Very low100 Ų10069.3 Ų69.351%0.51339%0.394SS..EExtended strand (participates in β ladder)trans-114.8116.5172.5-59.2176.4000106.3F12 V54F12-I52 PolarHBondContact N-O 3.26Å; F12-I52 PolarHBondContact O-N 3.01Å; I52-V54 HydrophobicContact CG2-CG2 3.91Å
53M45.9Very low42.5Very low13 Ų1368.6 Ų68.66%0.06439%0.391CS..EExtended strand (participates in β ladder)trans-76.7128.2167.4-168.5170.3103.700108.5F11 S44 L45 I46 V55F11-M53 HydrophobicContact CD1-CG 3.62Å; F11-M53 HydrophobicContact CD1-SD 4.04Å; F11-M53 HydrophobicContact CE1-CG 3.64Å; F11-M53 HydrophobicContact CE1-SD 3.61Å; S44-M53 WeakPolarHBondContact O-CE 3.45Å; L45-M53 VanDerWaalsContact CD2-O 3.23Å; L45-M53 WeakPolarHBondContact CD2-O 3.37Å; I46-M53 HydrophobicContact CB-CB 4.28Å; I46-M53 HydrophobicContact CB-CE 3.5Å; I46-M53 HydrophobicContact CB-SD 3.65Å; I46-M53 HydrophobicContact CD1-CE 3.43Å; I46-M53 VanDerWaalsContact CD1-CE 3.43Å; I46-M53 HydrophobicContact CD1-SD 3.98Å; I46-M53 HydrophobicContact CG1-CE 3.31Å; I46-M53 HydrophobicContact CG1-SD 4.05Å; I46-M53 WeakPolarHBondContact O-CB 3.12Å; I46-M53 PolarHBondContact O-N 3.01Å; M53-V55 HydrophobicContact CE-CG2 3.46Å; M53-V55 VanDerWaalsContact CE-CG2 3.46Å
54V46.7Very low42.7Very low10 Ų1069.4 Ų69.46%0.06139%0.389CS..EExtended strand (participates in β ladder)trans-121.499.4173.5-176.80000108V10 F12 I52 S56V10-V54 CarbonylContact C-O 3.47Å; V10-V54 PolarHBondContact N-O 2.98Å; V10-V54 CarbonylContact O-C 3.58Å; V10-V54 PolarHBondContact O-N 3.03Å; F12-V54 HydrophobicContact CD2-CB 4.11Å; F12-V54 HydrophobicContact CD2-CG2 3.8Å; F12-V54 HydrophobicContact CE2-CB 3.99Å; F12-V54 HydrophobicContact CE2-CG2 3.99Å; I52-V54 HydrophobicContact CG2-CG2 3.91Å; V54-S56 PolarHBondContact O-N 3.26Å
55V46.3Very low43Very low32 Ų3269.3 Ų69.319%0.19439%0.389CS..EExtended strand (participates in β ladder)trans-73.4123.6165.9-173.50000106.7Y9 M53Y9-V55 HydrophobicContact CD1-CB 4.28Å; Y9-V55 HydrophobicContact CD1-CG1 3.69Å; Y9-V55 HydrophobicContact CD1-CG2 3.92Å; Y9-V55 HydrophobicContact CE1-CG1 3.74Å; Y9-V55 HydrophobicContact CE1-CG2 4.17Å; M53-V55 HydrophobicContact CE-CG2 3.46Å; M53-V55 VanDerWaalsContact CE-CG2 3.46Å
56S47.1Very low43.5Very low9 Ų964.7 Ų64.76%0.06337%0.365CS..  trans-136.9126.2179.959.90000109.5V54 S63V54-S56 PolarHBondContact O-N 3.26Å; S56-S63 WeakPolarHBondContact CB-OG 3.06Å; S56-S63 PolarHBondContact OG-OG 3.1Å
57E43.2Very low43.6Very low132 Ų13263.7 Ų63.762%0.61736%0.362SS*.  trans-52.6148.8173.7-74.3-177.2168.500111.9D59 S60 S63E57-D59 PolarHBondContact O-N 2.8Å; E57-S60 WeakPolarHBondContact O-CB 3.23Å; E57-S60 PolarHBondContact O-N 3.42Å; E57-S63 PolarHBondContact O-OG 2.91Å; E57-S63 VanDerWaalsContact O-OG 3.07Å
58P44.4Very low43.7Very low17 Ų1762 Ų6211%0.1135%0.351CS..THydrogen-bonded Turntrans-58.8-24.5-173.426.1-39.1000114.1S6 R8S6-P58 WeakPolarHBondContact O-CB 3.44Å; S6-P58 WeakPolarHBondContact O-CD 3.37Å; S6-P58 WeakPolarHBondContact O-CG 2.88Å; S6-P58 WeakPolarHBondContact OG-CB 3.29Å; S6-P58 VanDerWaalsContact OG-CG 3.28Å; S6-P58 WeakPolarHBondContact OG-CG 3.38Å; R8-P58 HydrophobicContact CB-CB 4.49Å; R8-P58 HydrophobicContact CG-CB 3.99Å; R8-P58 PolarHBondContact NH1-O 3.04Å; R8-P58 VanDerWaalsContact NH1-O 3.13Å
59D43.4Very low43.7Very low144 Ų14470.8 Ų70.877%0.7738%0.383SS*.THydrogen-bonded Turntrans-109.89.3-178.2-62.2-40.7000113E57 P61E57-D59 PolarHBondContact O-N 2.8Å; D59-P61 WeakPolarHBondContact O-CD 3.01Å
60S42.5Very low44Very low31 Ų3172 Ų7222%0.21737%0.374CS..  trans-73.1125.5178-175.80000110.2E57 F62 S63E57-S60 WeakPolarHBondContact O-CB 3.23Å; E57-S60 PolarHBondContact O-N 3.42Å; S60-F62 PolarHBondContact O-N 3.18Å; S60-F62 WeakPolarHBondContact OG-CB 3.49Å; S60-F62 PolarHBondContact OG-N 3.29Å; S60-S63 WeakPolarHBondContact O-CB 3.28Å; S60-S63 PolarHBondContact O-N 3.44Å; S60-S63 PolarHBondContact O-OG 3.42Å
61P42.7Very low43.9Very low103 Ų10367.8 Ų67.867%0.66935%0.352SS*.Hα-helixtrans-58.9-15.1171.122.9-31.4000112.1D59 S63 S65D59-P61 WeakPolarHBondContact O-CD 3.01Å; P61-S63 VanDerWaalsContact C-N 3.31Å; P61-S65 WeakPolarHBondContact O-CB 3.12Å; P61-S65 PolarHBondContact O-N 2.8Å; P61-S65 PolarHBondContact O-OG 3.1Å
62F41.7Very low43.7Very low93 Ų9375 Ų7541%0.40838%0.38SS..Hα-helixtrans-66.6-28.8173.1-135-94.4000113.1S60 N66S60-F62 PolarHBondContact O-N 3.18Å; S60-F62 WeakPolarHBondContact OG-CB 3.49Å; S60-F62 PolarHBondContact OG-N 3.29Å; F62-N66 WeakPolarHBondContact CZ-ND2 3.23Å; F62-N66 WeakPolarHBondContact O-CB 3.48Å
63S41.7Very low43.6Very low32 Ų3281 Ų8122%0.22440%0.397CS..Hα-helixtrans-73.8-35.9179.1-46.90000112.4S56 E57 S60 P61S56-S63 WeakPolarHBondContact CB-OG 3.06Å; S56-S63 PolarHBondContact OG-OG 3.1Å; E57-S63 PolarHBondContact O-OG 2.91Å; E57-S63 VanDerWaalsContact O-OG 3.07Å; S60-S63 WeakPolarHBondContact O-CB 3.28Å; S60-S63 PolarHBondContact O-N 3.44Å; S60-S63 PolarHBondContact O-OG 3.42Å; P61-S63 VanDerWaalsContact C-N 3.31Å
64H40.4Very low43.5Very low155 Ų15590.3 Ų90.372%0.71844%0.437SS*.Hα-helixtrans-93-28.4-175.3-72.1-81.5000114.4
65S41.7Very low43.5Very low62 Ų6291.7 Ų91.743%0.43445%0.445SS..Hα-helixtrans-102.8-6.3-167.265.90000115.3P61P61-S65 WeakPolarHBondContact O-CB 3.12Å; P61-S65 PolarHBondContact O-N 2.8Å; P61-S65 PolarHBondContact O-OG 3.1Å
66N48.5Very low43.7Very low30 Ų3095.2 Ų95.216%0.1646%0.463CS..SBendtrans-123.71.9-159.5-125.6-7000119.7F62 R70F62-N66 WeakPolarHBondContact CZ-ND2 3.23Å; F62-N66 WeakPolarHBondContact O-CB 3.48Å; N66-R70 WeakPolarHBondContact O-CB 3.25Å; N66-R70 WeakPolarHBondContact O-CG 3.46Å; N66-R70 PolarHBondContact O-N 3.13Å
67P43Very low43.8Very low36 Ų3698.1 Ų98.123%0.23448%0.482CS..Hα-helixtrans-64.9-60.6162.6-4.815.5000108.6F12 R69 R70 L71F12-P67 HydrophobicContact CE1-CB 3.9Å; F12-P67 HydrophobicContact CE1-CG 4.41Å; F12-P67 HydrophobicContact CZ-CB 4.34Å; F12-P67 HydrophobicContact CZ-CG 4.46Å; P67-R69 PolarHBondContact O-N 3.46Å; P67-R70 PolarHBondContact O-N 3.12Å; P67-R70 VanDerWaalsContact O-N 3.09Å; P67-L71 HydrophobicContact CB-CD1 3.84Å; P67-L71 VanDerWaalsContact O-CB 3.26Å; P67-L71 WeakPolarHBondContact O-CB 3.27Å; P67-L71 WeakPolarHBondContact O-CD1 3.37Å; P67-L71 WeakPolarHBondContact O-CG 3.2Å; P67-L71 PolarHBondContact O-N 3.35Å
68S38.1Very low44.3Very low77 Ų7795.6 Ų95.654%0.53848%0.479SS..Hα-helixtrans-67.7-12.9-172.9-43.70000114.6F72S68-F72 WeakPolarHBondContact O-CD2 3.5Å; S68-F72 WeakPolarHBondContact O-CG 3.2Å
69R43.9Very low44.6Very low199 Ų19995.4 Ų95.475%0.75148%0.478SS*.Hα-helixtrans-93.5-29.5172.4-77.6-175.4171.6-167.8-0.1113.2P67P67-R69 PolarHBondContact O-N 3.46Å
70R43.9Very low45Very low125 Ų12589.1 Ų89.147%0.47245%0.445SS..Hα-helixtrans-82-25.9174.5-73.2178.4160-170.9-7.4112.7N66 P67N66-R70 WeakPolarHBondContact O-CB 3.25Å; N66-R70 WeakPolarHBondContact O-CG 3.46Å; N66-R70 PolarHBondContact O-N 3.13Å; P67-R70 PolarHBondContact O-N 3.12Å; P67-R70 VanDerWaalsContact O-N 3.09Å
71L44.7Very low45.5Very low14 Ų1487.8 Ų87.87%0.07344%0.436CS..SBendtrans-81.6-26.6-176.6-69.3163.5000114.7F14 P67 R73 V75 L81F14-L71 HydrophobicContact CE1-CD2 3.41Å; F14-L71 VanDerWaalsContact CE1-CD2 3.41Å; F14-L71 HydrophobicContact CZ-CD2 3.39Å; P67-L71 HydrophobicContact CB-CD1 3.84Å; P67-L71 VanDerWaalsContact O-CB 3.26Å; P67-L71 WeakPolarHBondContact O-CB 3.27Å; P67-L71 WeakPolarHBondContact O-CD1 3.37Å; P67-L71 WeakPolarHBondContact O-CG 3.2Å; P67-L71 PolarHBondContact O-N 3.35Å; L71-R73 PolarHBondContact O-N 3.27Å; L71-V75 WeakPolarHBondContact O-CG2 3.49Å; L71-L81 HydrophobicContact CD1-CD2 3.23Å; L71-L81 HydrophobicContact CD2-CB 4.19Å; L71-L81 HydrophobicContact CD2-CD1 3.44Å; L71-L81 VanDerWaalsContact CD2-CD1 3.44Å; L71-L81 HydrophobicContact CD2-CD2 3.28Å; L71-L81 HydrophobicContact CD2-CG 3.77Å; L71-L81 HydrophobicContact CG-CD2 3.83Å
72F41.7Very low46Very low160 Ų16083 Ų8370%0.70240%0.404SS*.THydrogen-bonded Turntrans-92.613.5-165.8-79-102.5000114.8S68S68-F72 WeakPolarHBondContact O-CD2 3.5Å; S68-F72 WeakPolarHBondContact O-CG 3.2Å
73R44.8Very low46.5Very low226 Ų22680 Ų8085%0.85339%0.393SS*.THydrogen-bonded Turntrans-108.4-12.4-178.2-83.7-169.4174.9-172.8-0.7117.1L71L71-R73 PolarHBondContact O-N 3.27Å
74K44Very low47Very low210 Ų21078.4 Ų78.491%0.91338%0.383SS*.THydrogen-bonded Turntrans-172.132.6177.5-121.3171.5-175.3-178.30116N76K74-N76 PolarHBondContact O-N 3.1Å
75V46.5Very low47.6Very low39 Ų3974.2 Ų74.224%0.23636%0.361CS..  trans-87.2114176.9-175.80000107.2F14 L71 S79 I100F14-V75 HydrophobicContact CE1-CG2 3.98Å; L71-V75 WeakPolarHBondContact O-CG2 3.49Å; V75-S79 WeakPolarHBondContact CG1-OG 3.29Å; V75-I100 HydrophobicContact CG1-CD1 4.29Å
76N49Very low48.1Very low105 Ų10571.8 Ų71.856%0.56134%0.343SS*.  trans-57.3147.5172.3-94.9-8.5000108.8K74 S78 S79K74-N76 PolarHBondContact O-N 3.1Å; N76-S78 PolarHBondContact O-N 2.94Å; N76-S79 PolarHBondContact N-OG 2.76Å; N76-S79 VanDerWaalsContact N-OG 3.08Å; N76-S79 PolarHBondContact O-N 3.32Å; N76-S79 PolarHBondContact O-OG 3.45Å
77P51Low48.1Very low70 Ų7071.4 Ų71.446%0.45534%0.341SS..THydrogen-bonded Turntrans-53.7-23177.916.1-28.2000113.7S79 G102P77-S79 PolarHBondContact O-N 3.06Å; P77-G102 CarbonylContact C-O 3.44Å; P77-G102 VanDerWaalsContact CB-C 3.45Å; P77-G102 VanDerWaalsContact CB-O 3.32Å; P77-G102 WeakPolarHBondContact CB-O 3.35Å; P77-G102 PolarHBondContact O-N 3.22Å; P77-G102 VanDerWaalsContact O-N 3.15Å
78S52.5Low48.4Very low80 Ų8073.6 Ų73.656%0.55935%0.35SS*.THydrogen-bonded Turntrans-87.911.1175.8-34.90000115.4R16 N76R16-S78 CarbonylContact C-O 3.54Å; N76-S78 PolarHBondContact O-N 2.94Å
79S51.2Low48.5Very low12 Ų1273.5 Ų73.58%0.08435%0.349CS..  trans-99.8132.6-179-3.40000112.6S15 V75 N76 P77S15-S79 CarbonylContact O-C 3.4Å; S15-S79 VanDerWaalsContact O-CA 3.28Å; S15-S79 WeakPolarHBondContact O-CA 3.44Å; V75-S79 WeakPolarHBondContact CG1-OG 3.29Å; N76-S79 PolarHBondContact N-OG 2.76Å; N76-S79 VanDerWaalsContact N-OG 3.08Å; N76-S79 PolarHBondContact O-N 3.32Å; N76-S79 PolarHBondContact O-OG 3.45Å; P77-S79 PolarHBondContact O-N 3.06Å
80C51.2Low48.3Very low13 Ų1368.6 Ų68.69%0.08834%0.344CS..EExtended strand (participates in β ladder)trans-89.4134.1170167.80000109.9S15 I18 C21S15-C80 PolarHBondContact N-O 3.22Å; S15-C80 PolarHBondContact O-N 3.21Å; I18-C80 HydrophobicContact CG1-CB 4.15Å; C21-C80 HydrophobicContact CB-CB 3.53Å; C21-C80 WeakPolarHBondContact CB-SG 3.38Å; C21-C80 WeakPolarHBondContact SG-CB 3.47Å; C21-C80 CovalentContact SG-SG 2.05Å; C21-C80 PolarHBondContact SG-SG 3.03Å
81L54.1Low48Very low3 Ų369.1 Ų69.12%0.01637%0.367CS..EExtended strand (participates in β ladder)trans-107.8126.1162.6-17978.3000108.9F12 F13 F14 L71 V83 A98F12-L81 HydrophobicContact CB-CD1 4.39Å; F12-L81 HydrophobicContact CD1-CD1 4.29Å; F13-L81 WeakPolarHBondContact O-CA 3.25Å; F14-L81 HydrophobicContact CD1-CD1 3.93Å; F14-L81 HydrophobicContact CD2-CD1 4.11Å; F14-L81 HydrophobicContact CE1-CD1 3.58Å; F14-L81 HydrophobicContact CE2-CD1 3.75Å; F14-L81 HydrophobicContact CG-CD1 4.2Å; F14-L81 HydrophobicContact CZ-CD1 3.49Å; F14-L81 VanDerWaalsContact CZ-CD1 3.49Å; L71-L81 HydrophobicContact CD1-CD2 3.23Å; L71-L81 HydrophobicContact CD2-CB 4.19Å; L71-L81 HydrophobicContact CD2-CD1 3.44Å; L71-L81 VanDerWaalsContact CD2-CD1 3.44Å; L71-L81 HydrophobicContact CD2-CD2 3.28Å; L71-L81 HydrophobicContact CD2-CG 3.77Å; L71-L81 HydrophobicContact CG-CD2 3.83Å; L81-V83 HydrophobicContact CD2-CG2 3.61Å; L81-V83 HydrophobicContact CG-CG2 4.02Å; L81-A98 CarbonylContact O-C 3.44Å; L81-A98 PolarHBondContact O-N 3.48Å
82S51.5Low47.7Very low2 Ų269.8 Ų69.81%0.01438%0.377CS..EExtended strand (participates in β ladder)trans-112134.2165.4-58.80000109.5F13 C21 V25F13-S82 PolarHBondContact N-O 3.4Å; F13-S82 PolarHBondContact O-N 3.45Å; C21-S82 PolarHBondContact SG-OG 3.43Å; V25-S82 WeakPolarHBondContact CG2-OG 3.47Å
83V52.1Low47.7Very low29 Ų2966 Ų6618%0.17636%0.364CS..EExtended strand (participates in β ladder)trans-114110.2178.3-174.10000108.3V10 F11 F12 L81 A96V10-V83 HydrophobicContact CG1-CG1 3.84Å; F11-V83 VanDerWaalsContact O-CA 3.28Å; F11-V83 WeakPolarHBondContact O-CA 3.28Å; F12-V83 HydrophobicContact CD1-CG1 4.48Å; F12-V83 HydrophobicContact CD1-CG2 3.94Å; F12-V83 HydrophobicContact CE1-CG1 4.1Å; F12-V83 HydrophobicContact CE1-CG2 3.96Å; L81-V83 HydrophobicContact CD2-CG2 3.61Å; L81-V83 HydrophobicContact CG-CG2 4.02Å; V83-A96 CarbonylContact C-O 3.21Å; V83-A96 PolarHBondContact N-O 3.37Å; V83-A96 VanDerWaalsContact N-O 3.08Å; V83-A96 CarbonylContact O-C 3.58Å; V83-A96 PolarHBondContact O-N 3.23Å
84L53.3Low47.4Very low0 Ų059.9 Ų59.90%035%0.347CS..EExtended strand (participates in β ladder)trans-94.3128.7173.5179.971.6000108.4V10 F11 F13 L29 L32 L86 L93 I95V10-L84 CarbonylContact C-O 3.58Å; V10-L84 WeakPolarHBondContact CA-O 3.05Å; F11-L84 HydrophobicContact CB-CB 3.94Å; F11-L84 HydrophobicContact CD2-CB 3.69Å; F11-L84 HydrophobicContact CD2-CD2 3.55Å; F11-L84 HydrophobicContact CD2-CG 3.72Å; F11-L84 WeakPolarHBondContact CD2-O 3.46Å; F11-L84 HydrophobicContact CE2-CD2 4.01Å; F11-L84 HydrophobicContact CE2-CG 4.35Å; F11-L84 HydrophobicContact CG-CB 4.19Å; F11-L84 HydrophobicContact CG-CD2 4.18Å; F11-L84 PolarHBondContact N-O 2.87Å; F11-L84 PolarHBondContact O-N 2.95Å; F13-L84 HydrophobicContact CE2-CB 4.13Å; L29-L84 HydrophobicContact CD1-CD1 3.94Å; L29-L84 HydrophobicContact CD1-CD2 3.58Å; L29-L84 HydrophobicContact CD1-CG 4.41Å; L32-L84 HydrophobicContact CD1-CD2 4.11Å; L84-L86 HydrophobicContact CD2-CG 4.42Å; L84-L86 HydrophobicContact CG-CG 4.42Å; L84-L93 HydrophobicContact CD1-CD1 3.77Å; L84-I95 HydrophobicContact CD1-CB 4.26Å; L84-I95 HydrophobicContact CD1-CG1 3.68Å; L84-I95 HydrophobicContact CD1-CG2 4.37Å
85Y52.8Low47.3Very low67 Ų6754.1 Ų54.126%0.26333%0.325SS..EExtended strand (participates in β ladder)trans-117114.5176.4178.6-90.6000108.9R8 Y9 V10 D87 I94R8-Y85 HydrophobicContact CB-CE2 4.44Å; R8-Y85 WeakPolarHBondContact CD-OH 2.79Å; R8-Y85 PolarHBondContact NE-OH 2.83Å; Y9-Y85 WeakPolarHBondContact O-CA 3.11Å; V10-Y85 HydrophobicContact CG2-CD2 4.12Å; Y85-D87 HydrophobicContact CD1-CB 4.47Å; Y85-D87 HydrophobicContact CE1-CB 3.73Å; Y85-D87 PolarHBondContact OH-OD2 2.75Å; Y85-I94 CarbonylContact C-O 3.58Å; Y85-I94 HydrophobicContact CD1-CB 4.09Å; Y85-I94 HydrophobicContact CD1-CD1 4.12Å; Y85-I94 HydrophobicContact CD1-CG1 4.42Å; Y85-I94 HydrophobicContact CE1-CD1 4.29Å; Y85-I94 PolarHBondContact N-O 2.86Å; Y85-I94 CarbonylContact O-C 3.55Å; Y85-I94 PolarHBondContact O-N 3.08Å
86L51.5Low47.2Very low10 Ų1054.7 Ų54.75%0.05233%0.334CS..EExtended strand (participates in β ladder)trans-103.7119.6173.8-61.6173.7000108.3R8 Y9 F11 L32 E36 L84 L93R8-L86 CarbonylContact C-O 3.53Å; R8-L86 VanDerWaalsContact CA-O 3.29Å; R8-L86 WeakPolarHBondContact CA-O 3.47Å; Y9-L86 HydrophobicContact CD2-CB 4.18Å; Y9-L86 HydrophobicContact CD2-CD1 4.31Å; Y9-L86 PolarHBondContact N-O 2.61Å; Y9-L86 PolarHBondContact O-N 3.08Å; F11-L86 HydrophobicContact CD2-CD1 4.42Å; F11-L86 HydrophobicContact CE2-CB 4.42Å; F11-L86 HydrophobicContact CE2-CD1 3.33Å; F11-L86 HydrophobicContact CE2-CG 3.71Å; F11-L86 HydrophobicContact CZ-CD1 3.74Å; L32-L86 HydrophobicContact CD2-CD1 4.48Å; E36-L86 WeakPolarHBondContact OE1-CD1 3.33Å; L84-L86 HydrophobicContact CD2-CG 4.42Å; L84-L86 HydrophobicContact CG-CG 4.42Å; L86-L93 HydrophobicContact CD2-CB 4.5Å; L86-L93 HydrophobicContact CD2-CD1 3.16Å; L86-L93 HydrophobicContact CD2-CG 4.4Å; L86-L93 HydrophobicContact CG-CD1 4.5Å
87D49.7Very low46.6Very low22 Ų2255 Ų5512%0.11833%0.332CS..EExtended strand (participates in β ladder)trans-107.598.1167.7-158.6-33.1000108.9R8 Y85 C89 C90 G92R8-D87 IonicContact CZ-OD2 3.78Å; R8-D87 IonicContact NE-OD2 3.01Å; R8-D87 PolarHBondContact NE-OD2 3.34Å; R8-D87 IonicContact NH2-OD2 3.72Å; Y85-D87 HydrophobicContact CD1-CB 4.47Å; Y85-D87 HydrophobicContact CE1-CB 3.73Å; Y85-D87 PolarHBondContact OH-OD2 2.75Å; D87-C89 PolarHBondContact O-N 2.99Å; D87-C89 WeakPolarHBondContact OD1-CB 3.36Å; D87-C89 PolarHBondContact OD1-N 3.29Å; D87-C90 PolarHBondContact O-N 3.41Å; D87-G92 PolarHBondContact N-O 3.27Å; D87-G92 PolarHBondContact O-N 3.13Å
88L48.8Very low46.1Very low83 Ų8353.8 Ų53.844%0.43533%0.328SS..THydrogen-bonded Turntrans-70.1-10.3178.7-74.8-175.7000113.1I7 Y9 E36 C90I7-L88 HydrophobicContact CB-CD1 4.43Å; I7-L88 PolarHBondContact O-N 2.77Å; Y9-L88 HydrophobicContact CD2-CD1 4.21Å; Y9-L88 HydrophobicContact CD2-CG 4.45Å; Y9-L88 HydrophobicContact CE2-CD1 3.49Å; Y9-L88 VanDerWaalsContact CE2-CD1 3.49Å; Y9-L88 HydrophobicContact CE2-CG 4.2Å; E36-L88 VanDerWaalsContact OE1-CD2 3.23Å; E36-L88 WeakPolarHBondContact OE1-CD2 3.45Å; L88-C90 VanDerWaalsContact C-N 3.26Å; L88-C90 PolarHBondContact O-N 3.38Å
89C41Very low45.4Very low75 Ų7553.2 Ų53.251%0.50733%0.334SS..THydrogen-bonded Turntrans-75.7-14.1179.2-161.90000113.1D87D87-C89 PolarHBondContact O-N 2.99Å; D87-C89 WeakPolarHBondContact OD1-CB 3.36Å; D87-C89 PolarHBondContact OD1-N 3.29Å
90C38.3Very low45.1Very low96 Ų9655.8 Ų55.865%0.64935%0.346SS*.THydrogen-bonded Turntrans-134.516.3-170.6-700000114.7D87 L88 G92D87-C90 PolarHBondContact O-N 3.41Å; L88-C90 VanDerWaalsContact C-N 3.26Å; L88-C90 PolarHBondContact O-N 3.38Å; C90-G92 PolarHBondContact O-N 2.83Å; C90-G92 VanDerWaalsContact O-N 3.1Å
91S39.2Very low44.2Very low135 Ų13558.7 Ų58.794%0.94438%0.379SS*.THydrogen-bonded Turntrans56.424.2-173.5-40.90000112.4
92G38.2Very low43Very low28 Ų2863.6 Ų63.629%0.28943%0.43SS..EExtended strand (participates in β ladder)trans-111.4110.8-164.600000112.4D87 C90D87-G92 PolarHBondContact N-O 3.27Å; D87-G92 PolarHBondContact O-N 3.13Å; C90-G92 PolarHBondContact O-N 2.83Å; C90-G92 VanDerWaalsContact O-N 3.1Å
93L40.4Very low42.6Very low81 Ų8166.7 Ų66.742%0.42445%0.451SS..EExtended strand (participates in β ladder)trans-88.7112.6167.7170.365.4000108.8L29 L84 L86 I95L29-L93 HydrophobicContact CD1-CD1 3.72Å; L29-L93 HydrophobicContact CD1-CD2 4.23Å; L29-L93 HydrophobicContact CD2-CD2 4.29Å; L84-L93 HydrophobicContact CD1-CD1 3.77Å; L86-L93 HydrophobicContact CD2-CB 4.5Å; L86-L93 HydrophobicContact CD2-CD1 3.16Å; L86-L93 HydrophobicContact CD2-CG 4.4Å; L86-L93 HydrophobicContact CG-CD1 4.5Å; L93-I95 HydrophobicContact CD1-CG1 4.04Å; L93-I95 HydrophobicContact CD2-CD1 4.14Å; L93-I95 HydrophobicContact CD2-CG1 4.35Å; L93-I95 HydrophobicContact CG-CD1 4.32Å; L93-I95 HydrophobicContact CG-CG1 3.98Å
94I40Very low42.1Very low98 Ų9868.7 Ų68.750%0.50347%0.465SS..EExtended strand (participates in β ladder)trans-107.5112.1172.1-57.4176.9000108.9Y85Y85-I94 CarbonylContact C-O 3.58Å; Y85-I94 HydrophobicContact CD1-CB 4.09Å; Y85-I94 HydrophobicContact CD1-CD1 4.12Å; Y85-I94 HydrophobicContact CD1-CG1 4.42Å; Y85-I94 HydrophobicContact CE1-CD1 4.29Å; Y85-I94 PolarHBondContact N-O 2.86Å; Y85-I94 CarbonylContact O-C 3.55Å; Y85-I94 PolarHBondContact O-N 3.08Å
95I41.5Very low41.5Very low89 Ų8972.5 Ų72.546%0.45649%0.491SS..EExtended strand (participates in β ladder)trans-96.9114.4174.3-52175.3000107.6L29 L84 L93L29-I95 HydrophobicContact CD2-CD1 4.35Å; L84-I95 HydrophobicContact CD1-CB 4.26Å; L84-I95 HydrophobicContact CD1-CG1 3.68Å; L84-I95 HydrophobicContact CD1-CG2 4.37Å; L93-I95 HydrophobicContact CD1-CG1 4.04Å; L93-I95 HydrophobicContact CD2-CD1 4.14Å; L93-I95 HydrophobicContact CD2-CG1 4.35Å; L93-I95 HydrophobicContact CG-CD1 4.32Å; L93-I95 HydrophobicContact CG-CG1 3.98Å
96A43Very low40.8Very low50 Ų5072.8 Ų72.841%0.41351%0.505SS..EExtended strand (participates in β ladder)trans-117.7112.4175.700000110.5V83V83-A96 CarbonylContact C-O 3.21Å; V83-A96 PolarHBondContact N-O 3.37Å; V83-A96 VanDerWaalsContact N-O 3.08Å; V83-A96 CarbonylContact O-C 3.58Å; V83-A96 PolarHBondContact O-N 3.23Å
97E37.8Very low40.2Very low112 Ų11276.8 Ų76.852%0.52353%0.533SS..EExtended strand (participates in β ladder)trans-92.1129.3174.7-65.5-171.3150.200110.1
98A40.9Very low39.5Very low45 Ų4580.4 Ų80.437%0.37256%0.561SS.*EExtended strand (participates in β ladder)trans-118.982.8174.600000108.9L81 I100L81-A98 CarbonylContact O-C 3.44Å; L81-A98 PolarHBondContact O-N 3.48Å; A98-I100 PolarHBondContact O-N 3.32Å; A98-I100 VanDerWaalsContact O-N 3.12Å
99G38.1Very low38.9Very low67 Ų6780.2 Ų80.269%0.69157%0.57SS**EExtended strand (participates in β ladder)trans-63.4113170.100000110.2G101G99-G101 PolarHBondContact O-N 3.32Å
100I43.6Very low38.7Very low66 Ų6680.6 Ų80.634%0.33857%0.574SS.*  trans-85.390.2164-58.4174.3000105.4V75 A98V75-I100 HydrophobicContact CG1-CD1 4.29Å; A98-I100 PolarHBondContact O-N 3.32Å; A98-I100 VanDerWaalsContact O-N 3.12Å
101G32.1Very low38.8Very low75 Ų7579.3 Ų79.377%0.77357%0.568SS**  trans-88.2116.5173.700000110.2G99G99-G101 PolarHBondContact O-N 3.32Å
102G30.4Very low38.7Very low106 Ų10674.3 Ų74.3100%1.09353%0.534SS*.  trans-135.50163.600000110.7P77P77-G102 CarbonylContact C-O 3.44Å; P77-G102 VanDerWaalsContact CB-C 3.45Å; P77-G102 VanDerWaalsContact CB-O 3.32Å; P77-G102 WeakPolarHBondContact CB-O 3.35Å; P77-G102 PolarHBondContact O-N 3.22Å; P77-G102 VanDerWaalsContact O-N 3.15Å

Retrieved 102 of 102 residues in 19.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).