G4VTA5_SCHMA Loading...

Tubulin beta chain AlphaSync

Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin.

AlphaFold DB , UniProt , Accession G4VTA5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 444 aa.

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

 

Download Structure   AlphaSync Parameters   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
1M63.8Low93.4Very high119 Ų11933.4 Ų33.459%0.58615%0.149SC*.  0-155.70-103.2156.2-83.500105.7E3 T48 D128 S129M1-E3 VanDerWaalsContact CA-OE1 3.23Å; M1-E3 WeakPolarHBondContact CA-OE1 3.5Å; M1-E3 WeakPolarHBondContact CB-OE1 3.35Å; M1-E3 PolarHBondContact N-OE1 3.27Å; M1-T48 HydrophobicContact CE-CG2 4.21Å; M1-T48 PolarHBondContact SD-OG1 3.42Å; M1-D128 PolarHBondContact N-OD2 3.05Å; M1-S129 WeakPolarHBondContact O-CB 3.31Å; M1-S129 PolarHBondContact O-N 3.35Å
2R86.3Confident93.4Very high131 Ų13133.3 Ų33.349%0.49416%0.155SC..  trans-110.197.4178.2-82.1-161.2-168.3-164.816.5107.5V49 S129 Q131 D249R2-V49 WeakPolarHBondContact O-CG2 3.32Å; R2-S129 CarbonylContact C-O 3.54Å; R2-S129 VanDerWaalsContact CA-O 3.25Å; R2-S129 WeakPolarHBondContact CA-O 3.37Å; R2-Q131 VanDerWaalsContact C-NE2 3.32Å; R2-Q131 VanDerWaalsContact CB-CD 3.49Å; R2-Q131 HydrophobicContact CB-CG 3.43Å; R2-Q131 VanDerWaalsContact CB-CG 3.43Å; R2-Q131 VanDerWaalsContact CB-NE2 3.32Å; R2-Q131 HydrophobicContact CG-CG 4.14Å; R2-Q131 PolarHBondContact O-NE2 2.72Å; R2-D249 IonicContact CZ-OD2 3.83Å; R2-D249 IonicContact NH1-OD1 3.55Å; R2-D249 PolarHBondContact NH1-OD1 2.95Å; R2-D249 IonicContact NH1-OD2 3.26Å; R2-D249 PolarHBondContact NH1-OD2 3Å; R2-D249 IonicContact NH2-OD2 2.7Å
3E95.7Very high93.7Very high0 Ų030.8 Ų30.80%014%0.143CC..EExtended strand (participates in β ladder)trans-96.7158-170.3-58.479.9-163.600114.1M1 T48 T127 D128 S129 Q131M1-E3 VanDerWaalsContact CA-OE1 3.23Å; M1-E3 WeakPolarHBondContact CA-OE1 3.5Å; M1-E3 WeakPolarHBondContact CB-OE1 3.35Å; M1-E3 PolarHBondContact N-OE1 3.27Å; E3-T48 VanDerWaalsContact CG-O 3.24Å; E3-T48 WeakPolarHBondContact CG-O 3.41Å; E3-T127 HydrophobicContact CB-CG2 3.66Å; E3-T127 HydrophobicContact CG-CG2 4.36Å; E3-D128 PolarHBondContact OE2-N 3.4Å; E3-S129 PolarHBondContact N-O 3.07Å; E3-S129 WeakPolarHBondContact OE2-CA 3.46Å; E3-S129 PolarHBondContact OE2-N 3.49Å; E3-S129 VanDerWaalsContact OE2-O 3.1Å; E3-Q131 PolarHBondContact O-N 2.62Å
4I97.4Very high94Very high0 Ų028.6 Ų28.60%013%0.133CC..EExtended strand (participates in β ladder)trans-127134-180-62.2169.2000109.1V49 Y50 Q131 Q134 L240 L250I4-V49 HydrophobicContact CD1-CG1 3.86Å; I4-V49 HydrophobicContact CG1-CG1 4.15Å; I4-V49 PolarHBondContact N-O 3.35Å; I4-Y50 HydrophobicContact CB-CE1 4.25Å; I4-Y50 HydrophobicContact CD1-CE2 4.27Å; I4-Y50 HydrophobicContact CG2-CE1 4.02Å; I4-Q131 HydrophobicContact CG1-CB 4.35Å; I4-Q134 HydrophobicContact CG2-CB 3.81Å; I4-L240 HydrophobicContact CD1-CD1 3.68Å; I4-L250 HydrophobicContact CD1-CD1 3.79Å; I4-L250 HydrophobicContact CD1-CD2 4.33Å; I4-L250 HydrophobicContact CD1-CG 3.94Å; I4-L250 HydrophobicContact CG1-CD1 3.95Å
5V98.3Very high94.1Very high0 Ų031.7 Ų31.70%015%0.148CC..EExtended strand (participates in β ladder)trans-96.4121.1170177.10000108.7I7 I64 E123 L130 G132 F133 Q134V5-I7 HydrophobicContact CG1-CG1 4.35Å; V5-I64 HydrophobicContact CG1-CD1 3.78Å; V5-I64 HydrophobicContact CG1-CG1 4.26Å; V5-E123 HydrophobicContact CG1-CB 4.12Å; V5-E123 HydrophobicContact CG2-CB 4.03Å; V5-L130 HydrophobicContact CG2-CD1 3.93Å; V5-G132 PolarHBondContact N-O 3.22Å; V5-F133 HydrophobicContact CB-CD1 3.8Å; V5-F133 HydrophobicContact CB-CE1 4.06Å; V5-F133 HydrophobicContact CG1-CD1 4.19Å; V5-F133 HydrophobicContact CG1-CE1 4.42Å; V5-F133 HydrophobicContact CG2-CE1 4.4Å; V5-F133 WeakPolarHBondContact O-CA 3.5Å; V5-Q134 PolarHBondContact O-N 3.3Å
6H98.4Very high94.2Very high0 Ų029.9 Ų29.90%014%0.139CC..EExtended strand (participates in β ladder)trans-95.8130.1-179.9-173.4-93000111Q8 W21 Y50 R62 A63 I64 Q134 T136H6-Q8 WeakPolarHBondContact CE1-CG 3.43Å; H6-Q8 PolarHBondContact CE1-NE2 3.13Å; H6-Q8 PolarHBondContact ND1-NE2 2.87Å; H6-W21 HydrophobicContact CB-CZ2 3.79Å; H6-W21 AromaticContact ND1-NE1 3.66Å; H6-Y50 HydrophobicContact CB-CE1 4.47Å; H6-R62 PolarHBondContact N-O 3.04Å; H6-A63 CarbonylContact O-C 3.53Å; H6-A63 VanDerWaalsContact O-CA 3.26Å; H6-A63 WeakPolarHBondContact O-CA 3.25Å; H6-I64 PolarHBondContact O-N 3.48Å; H6-Q134 CarbonylContact C-O 3.46Å; H6-Q134 WeakPolarHBondContact CA-O 3.29Å; H6-Q134 PolarHBondContact CD2-O 3.28Å; H6-Q134 PolarHBondContact CD2-OE1 2.82Å; H6-T136 PolarHBondContact NE2-OG1 3.25Å
7I98.7Very high94.3Very high1 Ų128.1 Ų28.11%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-121.5128-176.8-49.9175.6000108.8V5 V9 I64 V66 M120 F133 Q134 L135 T136 I155V5-I7 HydrophobicContact CG1-CG1 4.35Å; I7-V9 HydrophobicContact CG2-CG2 3.83Å; I7-I64 WeakPolarHBondContact CA-O 3.48Å; I7-I64 HydrophobicContact CG1-CD1 4.42Å; I7-V66 HydrophobicContact CG2-CG2 4.38Å; I7-M120 HydrophobicContact CD1-CG 4.4Å; I7-F133 HydrophobicContact CD1-CD1 4.16Å; I7-Q134 PolarHBondContact N-O 2.86Å; I7-L135 HydrophobicContact CB-CB 4.44Å; I7-L135 HydrophobicContact CB-CD1 4.37Å; I7-L135 HydrophobicContact CB-CG 4.38Å; I7-L135 HydrophobicContact CG2-CD1 4.26Å; I7-L135 CarbonylContact O-C 3.57Å; I7-L135 VanDerWaalsContact O-CA 3.31Å; I7-L135 WeakPolarHBondContact O-CA 3.23Å; I7-T136 PolarHBondContact O-N 3.22Å; I7-I155 HydrophobicContact CD1-CD1 3.42Å; I7-I155 VanDerWaalsContact CD1-CD1 3.42Å
8Q98.4Very high94.4Very high0 Ų027.8 Ų27.80%013%0.132CC..EExtended strand (participates in β ladder)trans-114.5119179.4-66.2168.214.200108.6H6 N14 G17 I64 V66H6-Q8 WeakPolarHBondContact CE1-CG 3.43Å; H6-Q8 PolarHBondContact CE1-NE2 3.13Å; H6-Q8 PolarHBondContact ND1-NE2 2.87Å; Q8-N14 WeakPolarHBondContact CB-OD1 3.28Å; Q8-N14 PolarHBondContact OE1-OD1 2.85Å; Q8-G17 VanDerWaalsContact NE2-C 3.29Å; Q8-G17 VanDerWaalsContact NE2-CA 3.26Å; Q8-G17 PolarHBondContact NE2-O 2.8Å; Q8-I64 PolarHBondContact N-O 3.34Å; Q8-V66 WeakPolarHBondContact O-CA 3.09Å; Q8-V66 PolarHBondContact O-N 3.38Å
9V98.4Very high94.5Very high0 Ų029.7 Ų29.70%014%0.14CC..EExtended strand (participates in β ladder)trans-120.5124-173.6-1700000111.6I7 G13 V66 L135 T136 H137 T143 L147 L151I7-V9 HydrophobicContact CG2-CG2 3.83Å; V9-G13 PolarHBondContact O-N 3.43Å; V9-V66 WeakPolarHBondContact CA-O 3.24Å; V9-V66 HydrophobicContact CG2-CB 4.42Å; V9-L135 HydrophobicContact CG2-CD1 3.95Å; V9-L135 HydrophobicContact CG2-CG 4.17Å; V9-T136 PolarHBondContact N-O 2.77Å; V9-H137 HydrophobicContact CB-CB 4.35Å; V9-T143 HydrophobicContact CG1-CG2 4.08Å; V9-L147 HydrophobicContact CG1-CB 4.48Å; V9-L147 HydrophobicContact CG1-CD2 4.39Å; V9-L147 HydrophobicContact CG1-CG 4.24Å; V9-L151 HydrophobicContact CG1-CD1 4.49Å; V9-L151 HydrophobicContact CG2-CD1 3.88Å
10G97Very high94.6Very high2 Ų228.3 Ų28.32%0.02113%0.133CC..Hα-helixtrans72.9175.9179.300000113.7C12 G13 N14 V66G10-C12 VanDerWaalsContact C-N 3.35Å; G10-C12 PolarHBondContact O-N 3.47Å; G10-G13 PolarHBondContact O-N 2.97Å; G10-N14 PolarHBondContact O-N 3.37Å; G10-N14 PolarHBondContact O-ND2 2.99Å; G10-V66 PolarHBondContact N-O 3.17Å
11Q94.8Very high94.7Very high114 Ų11426.9 Ų26.953%0.53313%0.127SC..Hα-helixtrans-52.4-49.1-177.4-174.7-177.9-27.600113.1N14 Q15 D67Q11-N14 PolarHBondContact O-N 3.22Å; Q11-Q15 WeakPolarHBondContact O-CB 3.4Å; Q11-Q15 VanDerWaalsContact O-CG 3.27Å; Q11-Q15 WeakPolarHBondContact O-CG 3.29Å; Q11-Q15 PolarHBondContact O-N 3.3Å; Q11-D67 PolarHBondContact N-OD2 3.4Å; Q11-D67 VanDerWaalsContact N-OD2 3.12Å
12C94.3Very high96.2Very high33 Ų3323.5 Ų23.522%0.22311%0.109CC..Hα-helixtrans-62-47.2179.5-174.40000112.1G10 N14 Q15 I16G10-C12 VanDerWaalsContact C-N 3.35Å; G10-C12 PolarHBondContact O-N 3.47Å; C12-N14 PolarHBondContact O-N 3.16Å; C12-Q15 PolarHBondContact O-N 3.36Å; C12-I16 WeakPolarHBondContact O-CG1 2.89Å; C12-I16 PolarHBondContact O-N 3.13Å
13G97Very high96.6Very high0 Ų018.6 Ų18.60%09%0.094CC..Hα-helixtrans-61.5-42.3-179.400000112.7V9 G10 G17 T136V9-G13 PolarHBondContact O-N 3.43Å; G10-G13 PolarHBondContact O-N 2.97Å; G13-G17 WeakPolarHBondContact O-CA 3.36Å; G13-G17 PolarHBondContact O-N 3.44Å; G13-T136 VanDerWaalsContact CA-O 3.28Å; G13-T136 WeakPolarHBondContact CA-O 2.74Å
14N97.2Very high96.6Very high0 Ų018.6 Ų18.60%09%0.094CC..Hα-helixtrans-71-35.4178.2-74.2-72.5000112.9Q8 G10 Q11 C12 S18 L65 V66 T72 M73 V76Q8-N14 WeakPolarHBondContact CB-OD1 3.28Å; Q8-N14 PolarHBondContact OE1-OD1 2.85Å; G10-N14 PolarHBondContact O-N 3.37Å; G10-N14 PolarHBondContact O-ND2 2.99Å; Q11-N14 PolarHBondContact O-N 3.22Å; C12-N14 PolarHBondContact O-N 3.16Å; N14-S18 VanDerWaalsContact O-CB 3.22Å; N14-S18 WeakPolarHBondContact O-CB 3.26Å; N14-S18 PolarHBondContact O-N 2.94Å; N14-S18 PolarHBondContact O-OG 3.27Å; N14-L65 WeakPolarHBondContact OD1-CB 3.25Å; N14-V66 PolarHBondContact ND2-O 3.46Å; N14-T72 HydrophobicContact CB-CG2 3.52Å; N14-M73 HydrophobicContact CB-CE 4.35Å; N14-M73 VanDerWaalsContact CG-CE 3.48Å; N14-M73 WeakPolarHBondContact ND2-CE 3.49Å; N14-M73 WeakPolarHBondContact OD1-CE 3.49Å; N14-V76 HydrophobicContact CB-CG2 4.27Å
15Q95.6Very high96.5Very high76 Ų7618.6 Ų18.636%0.3559%0.094SC..Hα-helixtrans-68.1-45.8176.4-73.6-177.416.600112.2Q11 C12 K19Q11-Q15 WeakPolarHBondContact O-CB 3.4Å; Q11-Q15 VanDerWaalsContact O-CG 3.27Å; Q11-Q15 WeakPolarHBondContact O-CG 3.29Å; Q11-Q15 PolarHBondContact O-N 3.3Å; C12-Q15 PolarHBondContact O-N 3.36Å; Q15-K19 PolarHBondContact O-N 2.96Å
16I96.2Very high96.2Very high2 Ų221.3 Ų21.31%0.0111%0.108CC..Hα-helixtrans-65.1-47.9175.3-69168.5000109.9C12 S18 K19 F20 T136 V169 N226 V229 M233C12-I16 WeakPolarHBondContact O-CG1 2.89Å; C12-I16 PolarHBondContact O-N 3.13Å; I16-S18 PolarHBondContact O-N 3.36Å; I16-K19 PolarHBondContact O-N 3.27Å; I16-K19 VanDerWaalsContact O-N 3.13Å; I16-F20 PolarHBondContact O-N 3.36Å; I16-T136 HydrophobicContact CB-CG2 3.86Å; I16-T136 HydrophobicContact CD1-CG2 4.34Å; I16-T136 HydrophobicContact CG2-CG2 3.64Å; I16-V169 HydrophobicContact CD1-CG2 3.43Å; I16-V169 VanDerWaalsContact CD1-CG2 3.43Å; I16-N226 HydrophobicContact CG1-CB 4.38Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.26Å; I16-V229 HydrophobicContact CD1-CG1 4.27Å; I16-V229 HydrophobicContact CG1-CG1 4.43Å; I16-V229 HydrophobicContact CG2-CB 4.36Å; I16-V229 HydrophobicContact CG2-CG1 3.57Å; I16-M233 HydrophobicContact CG2-CE 4.41Å; I16-M233 HydrophobicContact CG2-SD 3.41Å; I16-M233 WeakPolarHBondContact CG2-SD 3.18Å
17G96.5Very high95.9Very high0 Ų021.9 Ų21.90%011%0.111CC..Hα-helixtrans-61.3-42.4-178.600000113Q8 G13 K19 F20 W21Q8-G17 VanDerWaalsContact NE2-C 3.29Å; Q8-G17 VanDerWaalsContact NE2-CA 3.26Å; Q8-G17 PolarHBondContact NE2-O 2.8Å; G13-G17 WeakPolarHBondContact O-CA 3.36Å; G13-G17 PolarHBondContact O-N 3.44Å; G17-K19 VanDerWaalsContact C-N 3.31Å; G17-K19 PolarHBondContact O-N 2.66Å; G17-F20 WeakPolarHBondContact O-CB 3.31Å; G17-F20 PolarHBondContact O-N 3.11Å; G17-W21 PolarHBondContact O-N 3.3Å
18S95.9Very high95.6Very high22 Ų2221.9 Ų21.915%0.15411%0.111CC..Hα-helixtrans-56.5-48.2173.4-64.50000110.6N14 I16 F20 W21 E22 V76N14-S18 VanDerWaalsContact O-CB 3.22Å; N14-S18 WeakPolarHBondContact O-CB 3.26Å; N14-S18 PolarHBondContact O-N 2.94Å; N14-S18 PolarHBondContact O-OG 3.27Å; I16-S18 PolarHBondContact O-N 3.36Å; S18-F20 PolarHBondContact O-N 2.74Å; S18-W21 PolarHBondContact O-N 2.91Å; S18-E22 WeakPolarHBondContact O-CG 3.29Å; S18-E22 PolarHBondContact O-N 3.08Å; S18-V76 WeakPolarHBondContact OG-CG2 3.21Å
19K95.5Very high95.4Very high65 Ų6522.2 Ų22.228%0.28312%0.115SC..Hα-helixtrans-65-38.2179-165.469.8-166.7163.90112.8Q15 I16 G17 E22 V23 S230Q15-K19 PolarHBondContact O-N 2.96Å; I16-K19 PolarHBondContact O-N 3.27Å; I16-K19 VanDerWaalsContact O-N 3.13Å; G17-K19 VanDerWaalsContact C-N 3.31Å; G17-K19 PolarHBondContact O-N 2.66Å; K19-E22 WeakPolarHBondContact CD-OE2 3.44Å; K19-E22 IonicContact NZ-OE2 2.66Å; K19-E22 PolarHBondContact NZ-OE2 3.07Å; K19-E22 WeakPolarHBondContact O-CB 3.46Å; K19-E22 PolarHBondContact O-N 3.5Å; K19-V23 WeakPolarHBondContact O-CG2 3.4Å; K19-V23 PolarHBondContact O-N 3.36Å; K19-V23 VanDerWaalsContact O-N 3.1Å; K19-S230 WeakPolarHBondContact CG-OG 3.06Å
20F96.9Very high95.3Very high0 Ų022.4 Ų22.40%012%0.116CC..Hα-helixtrans-57.7-48.8173.3170.8-110.7000111.5I16 G17 S18 E22 V23 I24 Y50 M233 T237I16-F20 PolarHBondContact O-N 3.36Å; G17-F20 WeakPolarHBondContact O-CB 3.31Å; G17-F20 PolarHBondContact O-N 3.11Å; S18-F20 PolarHBondContact O-N 2.74Å; F20-E22 VanDerWaalsContact C-N 3.33Å; F20-E22 PolarHBondContact O-N 3.28Å; F20-V23 PolarHBondContact O-N 3.45Å; F20-V23 VanDerWaalsContact O-N 3.08Å; F20-I24 HydrophobicContact CD1-CD1 4.31Å; F20-I24 HydrophobicContact CD2-CG2 3.97Å; F20-I24 HydrophobicContact CE1-CD1 3.63Å; F20-I24 HydrophobicContact CE1-CG1 4.29Å; F20-I24 HydrophobicContact CE2-CD1 4.44Å; F20-I24 HydrophobicContact CE2-CG2 3.46Å; F20-I24 VanDerWaalsContact CE2-CG2 3.46Å; F20-I24 HydrophobicContact CZ-CD1 3.72Å; F20-I24 HydrophobicContact CZ-CG1 4.3Å; F20-I24 HydrophobicContact CZ-CG2 3.8Å; F20-I24 WeakPolarHBondContact O-CG1 3.5Å; F20-I24 PolarHBondContact O-N 2.93Å; F20-Y50 HydrophobicContact CE1-CE1 4.22Å; F20-Y50 HydrophobicContact CZ-CE1 4.31Å; F20-M233 HydrophobicContact CB-CE 3.94Å; F20-M233 HydrophobicContact CB-SD 4.19Å; F20-M233 HydrophobicContact CD1-CE 4.09Å; F20-M233 HydrophobicContact CD2-CB 3.55Å; F20-M233 HydrophobicContact CD2-CE 3.99Å; F20-M233 HydrophobicContact CD2-SD 4.42Å; F20-M233 HydrophobicContact CE2-CB 3.85Å; F20-M233 HydrophobicContact CG-CB 4.41Å; F20-M233 HydrophobicContact CG-CE 3.74Å; F20-M233 HydrophobicContact CG-SD 4.41Å; F20-T237 HydrophobicContact CZ-CG2 4.49Å
21W97.1Very high95.2Very high0 Ų024.1 Ų24.10%012%0.124CC..Hα-helixtrans-63.8-34.8177.3-73110.9000113.4H6 G17 S18 V23 I24 S25 Y50 Y51 P61 A63 F85H6-W21 HydrophobicContact CB-CZ2 3.79Å; H6-W21 AromaticContact ND1-NE1 3.66Å; G17-W21 PolarHBondContact O-N 3.3Å; S18-W21 PolarHBondContact O-N 2.91Å; W21-V23 VanDerWaalsContact C-N 3.33Å; W21-I24 HydrophobicContact CD2-CD1 4.21Å; W21-I24 HydrophobicContact CE3-CD1 3.45Å; W21-I24 VanDerWaalsContact CE3-CD1 3.45Å; W21-I24 HydrophobicContact CE3-CG1 3.89Å; W21-I24 HydrophobicContact CH2-CD1 4.18Å; W21-I24 HydrophobicContact CZ3-CD1 3.45Å; W21-I24 VanDerWaalsContact CZ3-CD1 3.45Å; W21-I24 HydrophobicContact CZ3-CG1 4.34Å; W21-S25 WeakPolarHBondContact O-CB 3.25Å; W21-S25 PolarHBondContact O-N 3.08Å; W21-S25 PolarHBondContact O-OG 2.95Å; W21-Y50 AromaticContact CH2-CD1 3.74Å; W21-Y50 HydrophobicContact CH2-CD1 3.74Å; W21-Y50 HydrophobicContact CH2-CG 4.18Å; W21-Y50 WeakPolarHBondContact CH2-O 3.42Å; W21-Y50 HydrophobicContact CZ2-CD1 4.29Å; W21-Y50 HydrophobicContact CZ3-CD1 4.48Å; W21-Y51 HydrophobicContact CE3-CE1 4.32Å; W21-Y51 HydrophobicContact CE3-CE2 4.47Å; W21-Y51 AromaticContact CE3-CZ 3.89Å; W21-Y51 HydrophobicContact CZ3-CD2 4.49Å; W21-Y51 HydrophobicContact CZ3-CE1 4.1Å; W21-Y51 AromaticContact CZ3-CE2 3.93Å; W21-Y51 HydrophobicContact CZ3-CE2 3.93Å; W21-Y51 AromaticContact CZ3-CZ 3.71Å; W21-P61 HydrophobicContact CD2-CB 4Å; W21-P61 HydrophobicContact CD2-CG 4.13Å; W21-P61 HydrophobicContact CE3-CB 3.75Å; W21-P61 HydrophobicContact CE3-CG 3.72Å; W21-P61 HydrophobicContact CH2-CB 3.55Å; W21-P61 HydrophobicContact CH2-CG 4.38Å; W21-P61 HydrophobicContact CZ2-CB 3.79Å; W21-P61 HydrophobicContact CZ3-CB 3.52Å; W21-P61 HydrophobicContact CZ3-CG 3.85Å; W21-A63 HydrophobicContact CZ2-CB 3.62Å; W21-F85 HydrophobicContact CB-CE1 4.27Å; W21-F85 HydrophobicContact CB-CZ 3.82Å; W21-F85 AromaticContact CD1-CE1 3.38Å; W21-F85 AromaticContact CD1-CZ 3.43Å; W21-F85 VanDerWaalsContact CD1-CZ 3.43Å; W21-F85 HydrophobicContact CD2-CE1 4.09Å; W21-F85 AromaticContact CG-CE1 3.67Å; W21-F85 HydrophobicContact CG-CE1 3.67Å; W21-F85 AromaticContact CG-CZ 3.66Å; W21-F85 HydrophobicContact CG-CZ 3.66Å; W21-F85 AromaticContact NE1-CE1 3.65Å
22E95.1Very high95.3Very high47 Ų4721 Ų2122%0.2211%0.114CC..Hα-helixtrans-58-48.2170.3-62.5-175.3178.400110.9S18 K19 F20 D26 F81S18-E22 WeakPolarHBondContact O-CG 3.29Å; S18-E22 PolarHBondContact O-N 3.08Å; K19-E22 WeakPolarHBondContact CD-OE2 3.44Å; K19-E22 IonicContact NZ-OE2 2.66Å; K19-E22 PolarHBondContact NZ-OE2 3.07Å; K19-E22 WeakPolarHBondContact O-CB 3.46Å; K19-E22 PolarHBondContact O-N 3.5Å; F20-E22 VanDerWaalsContact C-N 3.33Å; F20-E22 PolarHBondContact O-N 3.28Å; E22-D26 WeakPolarHBondContact O-CB 3.46Å; E22-D26 PolarHBondContact O-N 2.98Å; E22-F81 HydrophobicContact CB-CD2 4.27Å; E22-F81 HydrophobicContact CB-CE2 4.05Å; E22-F81 HydrophobicContact CB-CZ 4.46Å; E22-F81 HydrophobicContact CG-CD2 3.5Å; E22-F81 HydrophobicContact CG-CE2 3.73Å; E22-F81 HydrophobicContact CG-CG 4.12Å
23V94.3Very high95.3Very high29 Ų2923.5 Ų23.518%0.17612%0.124CC..Hα-helixtrans-66-49.6-176.7173.10000111.3K19 F20 W21 D26 E27K19-V23 WeakPolarHBondContact O-CG2 3.4Å; K19-V23 PolarHBondContact O-N 3.36Å; K19-V23 VanDerWaalsContact O-N 3.1Å; F20-V23 PolarHBondContact O-N 3.45Å; F20-V23 VanDerWaalsContact O-N 3.08Å; W21-V23 VanDerWaalsContact C-N 3.33Å; V23-D26 PolarHBondContact O-N 3.37Å; V23-E27 WeakPolarHBondContact O-CG 3.42Å; V23-E27 PolarHBondContact O-N 2.85Å; V23-E27 VanDerWaalsContact O-N 3.09Å
24I94.8Very high95.2Very high0 Ų023.6 Ų23.60%013%0.125CC..Hα-helixtrans-74.8-31.2-177.264.6160.7000112.8F20 W21 D26 E27 H28 Y50 Y51F20-I24 HydrophobicContact CD1-CD1 4.31Å; F20-I24 HydrophobicContact CD2-CG2 3.97Å; F20-I24 HydrophobicContact CE1-CD1 3.63Å; F20-I24 HydrophobicContact CE1-CG1 4.29Å; F20-I24 HydrophobicContact CE2-CD1 4.44Å; F20-I24 HydrophobicContact CE2-CG2 3.46Å; F20-I24 VanDerWaalsContact CE2-CG2 3.46Å; F20-I24 HydrophobicContact CZ-CD1 3.72Å; F20-I24 HydrophobicContact CZ-CG1 4.3Å; F20-I24 HydrophobicContact CZ-CG2 3.8Å; F20-I24 WeakPolarHBondContact O-CG1 3.5Å; F20-I24 PolarHBondContact O-N 2.93Å; W21-I24 HydrophobicContact CD2-CD1 4.21Å; W21-I24 HydrophobicContact CE3-CD1 3.45Å; W21-I24 VanDerWaalsContact CE3-CD1 3.45Å; W21-I24 HydrophobicContact CE3-CG1 3.89Å; W21-I24 HydrophobicContact CH2-CD1 4.18Å; W21-I24 HydrophobicContact CZ3-CD1 3.45Å; W21-I24 VanDerWaalsContact CZ3-CD1 3.45Å; W21-I24 HydrophobicContact CZ3-CG1 4.34Å; I24-D26 VanDerWaalsContact C-N 3.28Å; I24-D26 PolarHBondContact O-N 3Å; I24-E27 PolarHBondContact O-N 3.21Å; I24-H28 PolarHBondContact O-CD2 3.49Å; I24-H28 PolarHBondContact O-N 3.19Å; I24-Y50 HydrophobicContact CD1-CG 4.24Å; I24-Y51 HydrophobicContact CD1-CE2 4.27Å
25S95.4Very high95.2Very high0 Ų026.5 Ų26.50%014%0.14CC..Hα-helixtrans-60.7-45.2173.1-59.60000109.8W21 E27 H28 G29 I30 Y51 L84W21-S25 WeakPolarHBondContact O-CB 3.25Å; W21-S25 PolarHBondContact O-N 3.08Å; W21-S25 PolarHBondContact O-OG 2.95Å; S25-E27 PolarHBondContact O-N 3.32Å; S25-H28 CarbonylContact O-C 3.48Å; S25-H28 PolarHBondContact O-N 3.32Å; S25-G29 PolarHBondContact O-N 3.02Å; S25-I30 WeakPolarHBondContact CB-O 3.25Å; S25-I30 PolarHBondContact O-N 3.21Å; S25-Y51 WeakPolarHBondContact CA-OH 3.25Å; S25-Y51 WeakPolarHBondContact CB-OH 3.24Å; S25-Y51 PolarHBondContact N-OH 3.14Å; S25-Y51 PolarHBondContact OG-OH 2.98Å; S25-L84 VanDerWaalsContact OG-CD2 3.31Å; S25-L84 WeakPolarHBondContact OG-CD2 3.23Å
26D92.2Very high95.2Very high56 Ų5626.1 Ų26.130%0.29914%0.136SC..Hα-helixtrans-62.6-42.1178.1-167.726.5000112.7E22 V23 I24 H28 G29 R359E22-D26 WeakPolarHBondContact O-CB 3.46Å; E22-D26 PolarHBondContact O-N 2.98Å; V23-D26 PolarHBondContact O-N 3.37Å; I24-D26 VanDerWaalsContact C-N 3.28Å; I24-D26 PolarHBondContact O-N 3Å; D26-H28 VanDerWaalsContact C-N 3.31Å; D26-H28 PolarHBondContact O-N 3.37Å; D26-G29 PolarHBondContact O-N 3.39Å; D26-R359 IonicContact OD1-CZ 3.6Å; D26-R359 IonicContact OD1-NH1 3.62Å; D26-R359 PolarHBondContact OD1-NH1 2.9Å; D26-R359 WeakPolarHBondContact OD2-CD 3.38Å; D26-R359 IonicContact OD2-CZ 2.85Å; D26-R359 IonicContact OD2-NE 3.52Å; D26-R359 IonicContact OD2-NH1 2.99Å; D26-R359 PolarHBondContact OD2-NH1 2.89Å
27E92.2Very high95.1Very high12 Ų1230.4 Ų30.46%0.05616%0.162CC..Hα-helixtrans-61.7-37.8174.4-70.6179.2-17500112.8V23 I24 S25 G29 Q43 S234 R241 F242 R318V23-E27 WeakPolarHBondContact O-CG 3.42Å; V23-E27 PolarHBondContact O-N 2.85Å; V23-E27 VanDerWaalsContact O-N 3.09Å; I24-E27 PolarHBondContact O-N 3.21Å; S25-E27 PolarHBondContact O-N 3.32Å; E27-G29 VanDerWaalsContact C-N 3.29Å; E27-Q43 WeakPolarHBondContact O-CG 3.48Å; E27-Q43 PolarHBondContact O-NE2 3.32Å; E27-S234 PolarHBondContact OE1-OG 2.96Å; E27-S234 PolarHBondContact OE2-OG 2.77Å; E27-R241 IonicContact OE2-CZ 3.1Å; E27-R241 VanDerWaalsContact OE2-CZ 3.27Å; E27-R241 IonicContact OE2-NH1 2.85Å; E27-R241 PolarHBondContact OE2-NH1 2.94Å; E27-R241 IonicContact OE2-NH2 2.87Å; E27-R241 PolarHBondContact OE2-NH2 3.15Å; E27-F242 HydrophobicContact CB-CE2 4.33Å; E27-F242 HydrophobicContact CB-CZ 4.03Å; E27-R318 IonicContact OE1-CZ 2.8Å; E27-R318 IonicContact OE1-NH1 2.86Å; E27-R318 PolarHBondContact OE1-NH1 3.09Å; E27-R318 IonicContact OE1-NH2 3.85Å; E27-R318 PolarHBondContact OE1-NH2 2.87Å; E27-R318 VanDerWaalsContact OE1-NH2 3.11Å; E27-R318 IonicContact OE2-CZ 2.66Å; E27-R318 IonicContact OE2-NH1 3.61Å; E27-R318 PolarHBondContact OE2-NH1 3.15Å; E27-R318 IonicContact OE2-NH2 3.41Å; E27-R318 PolarHBondContact OE2-NH2 3.1Å
28H93.1Very high94.7Very high1 Ų131.4 Ų31.41%0.00517%0.173CC..THydrogen-bonded Turntrans-83.72.2175.2-73.4-70.1000113.7I24 S25 D26 I30 Y36 Q43 I47 R241 F242I24-H28 PolarHBondContact O-CD2 3.49Å; I24-H28 PolarHBondContact O-N 3.19Å; S25-H28 CarbonylContact O-C 3.48Å; S25-H28 PolarHBondContact O-N 3.32Å; D26-H28 VanDerWaalsContact C-N 3.31Å; D26-H28 PolarHBondContact O-N 3.37Å; H28-I30 VanDerWaalsContact C-N 3.27Å; H28-I30 HydrophobicContact CB-CG1 3.94Å; H28-I30 PolarHBondContact O-N 2.83Å; H28-Y36 WeakPolarHBondContact O-CD2 3.11Å; H28-Y36 WeakPolarHBondContact O-CE2 3.3Å; H28-Q43 PolarHBondContact ND1-O 3Å; H28-I47 HydrophobicContact CB-CD1 3.99Å; H28-I47 HydrophobicContact CB-CG1 4.38Å; H28-R241 PolarHBondContact NE2-NH1 3.12Å; H28-F242 AromaticContact CE1-CE1 3.63Å; H28-F242 AromaticContact CE1-CZ 3.81Å; H28-F242 AromaticContact ND1-CE1 3.85Å
29G93.6Very high94.3Very high7 Ų739.8 Ų39.87%0.07221%0.209CC..THydrogen-bonded Turntrans66.925.8-179.200000113.8S25 D26 E27 T37 G38S25-G29 PolarHBondContact O-N 3.02Å; D26-G29 PolarHBondContact O-N 3.39Å; E27-G29 VanDerWaalsContact C-N 3.29Å; G29-T37 PolarHBondContact O-N 2.82Å; G29-T37 PolarHBondContact O-OG1 2.79Å; G29-T37 VanDerWaalsContact O-OG1 3.11Å; G29-G38 PolarHBondContact O-N 3.12Å
30I95.7Very high93.8Very high5 Ų538.9 Ų38.93%0.02621%0.211CC..BIsolated β-bridgetrans-93122.8-179.6-55.6-51000110S25 H28 N35 Y36 I47 Y51 Y59 L84S25-I30 WeakPolarHBondContact CB-O 3.25Å; S25-I30 PolarHBondContact O-N 3.21Å; H28-I30 VanDerWaalsContact C-N 3.27Å; H28-I30 HydrophobicContact CB-CG1 3.94Å; H28-I30 PolarHBondContact O-N 2.83Å; I30-N35 WeakPolarHBondContact CA-O 3.37Å; I30-Y36 HydrophobicContact CD1-CD2 4.07Å; I30-I47 HydrophobicContact CD1-CD1 3.82Å; I30-I47 HydrophobicContact CG1-CD1 3.97Å; I30-Y51 HydrophobicContact CG2-CE1 4.43Å; I30-Y59 HydrophobicContact CD1-CD2 3.34Å; I30-Y59 HydrophobicContact CD1-CE2 4Å; I30-Y59 HydrophobicContact CD1-CG 3.77Å; I30-Y59 HydrophobicContact CG1-CD2 4.45Å; I30-Y59 HydrophobicContact CG1-CG 4.48Å; I30-L84 HydrophobicContact CG2-CD1 4.05Å
31D95.7Very high93.4Very high37 Ų3745.2 Ų45.220%0.19825%0.245CC..  trans-74.9167.9175.780.39.7000111.7M33 G34 N35 T37D31-M33 PolarHBondContact O-N 3.48Å; D31-M33 VanDerWaalsContact OD1-C 3.27Å; D31-M33 VanDerWaalsContact OD1-CA 3.26Å; D31-M33 WeakPolarHBondContact OD1-CA 3.26Å; D31-M33 WeakPolarHBondContact OD1-CB 3.46Å; D31-M33 PolarHBondContact OD1-N 3.36Å; D31-G34 PolarHBondContact O-N 2.83Å; D31-G34 PolarHBondContact OD1-N 3.11Å; D31-N35 PolarHBondContact N-O 2.91Å; D31-N35 PolarHBondContact OD1-N 2.92Å; D31-N35 PolarHBondContact OD1-ND2 3.36Å; D31-N35 PolarHBondContact OD2-ND2 3.1Å; D31-T37 HydrophobicContact CB-CG2 4.09Å
32P96Very high92.8Very high49 Ų4948.9 Ų48.932%0.31826%0.264SS..THydrogen-bonded Turntrans-63-9179.4-22.733.2000115.8P80 F81 L84P32-P80 VanDerWaalsContact CB-O 3.25Å; P32-P80 WeakPolarHBondContact CB-O 3.27Å; P32-F81 HydrophobicContact CB-CD1 4.02Å; P32-F81 HydrophobicContact CB-CE1 4.21Å; P32-F81 HydrophobicContact CB-CG 4.21Å; P32-F81 HydrophobicContact CG-CD1 4.2Å; P32-F81 HydrophobicContact CG-CD2 4.39Å; P32-F81 HydrophobicContact CG-CE1 3.91Å; P32-F81 HydrophobicContact CG-CE2 4.13Å; P32-F81 HydrophobicContact CG-CG 4.45Å; P32-F81 HydrophobicContact CG-CZ 3.89Å; P32-L84 PolarHBondContact O-N 2.77Å
33M94.3Very high92.5Very high86 Ų8648.3 Ų48.342%0.42426%0.262SS..THydrogen-bonded Turntrans-100.73177.1-64.6-60.6-56.200112.6D31 K83D31-M33 PolarHBondContact O-N 3.48Å; D31-M33 VanDerWaalsContact OD1-C 3.27Å; D31-M33 VanDerWaalsContact OD1-CA 3.26Å; D31-M33 WeakPolarHBondContact OD1-CA 3.26Å; D31-M33 WeakPolarHBondContact OD1-CB 3.46Å; D31-M33 PolarHBondContact OD1-N 3.36Å; M33-K83 HydrophobicContact CE-CD 4.28Å; M33-K83 HydrophobicContact SD-CB 4.17Å; M33-K83 HydrophobicContact SD-CD 3.76Å
34G96Very high92.4Very high2 Ų249.3 Ų49.32%0.02127%0.265CS..SBendtrans84.19.2179.400000114.5D31 K58 Y59D31-G34 PolarHBondContact O-N 2.83Å; D31-G34 PolarHBondContact OD1-N 3.11Å; G34-K58 CarbonylContact O-C 3.6Å; G34-K58 WeakPolarHBondContact O-CA 3.46Å; G34-Y59 WeakPolarHBondContact CA-O 3.12Å; G34-Y59 PolarHBondContact O-N 2.87Å
35N96.5Very high92.1Very high60 Ų6053.4 Ų53.432%0.32129%0.285SS..  trans-88.3141.6179.4-43.4-68.4000110.7I30 D31 T37I30-N35 WeakPolarHBondContact CA-O 3.37Å; D31-N35 PolarHBondContact N-O 2.91Å; D31-N35 PolarHBondContact OD1-N 2.92Å; D31-N35 PolarHBondContact OD1-ND2 3.36Å; D31-N35 PolarHBondContact OD2-ND2 3.1Å; N35-T37 PolarHBondContact O-N 3.4Å
36Y95.4Very high91.9Very high68 Ų6857.1 Ų57.127%0.26730%0.299SS..BIsolated β-bridgetrans-73.8124.7169.8177.9-104.6000110.9H28 I30 G38 S40 Q43 L44H28-Y36 WeakPolarHBondContact O-CD2 3.11Å; H28-Y36 WeakPolarHBondContact O-CE2 3.3Å; I30-Y36 HydrophobicContact CD1-CD2 4.07Å; Y36-G38 WeakPolarHBondContact CE1-O 3.18Å; Y36-G38 VanDerWaalsContact CZ-CA 3.43Å; Y36-G38 WeakPolarHBondContact OH-CA 3.23Å; Y36-G38 PolarHBondContact OH-O 2.84Å; Y36-S40 PolarHBondContact OH-N 2.6Å; Y36-S40 PolarHBondContact OH-O 2.71Å; Y36-Q43 HydrophobicContact CE2-CB 4.04Å; Y36-L44 HydrophobicContact CD1-CD1 4.2Å; Y36-L44 HydrophobicContact CD2-CD1 4.37Å; Y36-L44 HydrophobicContact CD2-CD2 3.43Å; Y36-L44 VanDerWaalsContact CD2-CD2 3.43Å; Y36-L44 HydrophobicContact CD2-CG 3.93Å; Y36-L44 HydrophobicContact CE1-CD1 4.09Å; Y36-L44 HydrophobicContact CE1-CG 4.44Å; Y36-L44 HydrophobicContact CE2-CD1 4.25Å; Y36-L44 HydrophobicContact CE2-CD2 3.72Å; Y36-L44 HydrophobicContact CE2-CG 3.72Å; Y36-L44 HydrophobicContact CG-CD1 4.33Å; Y36-L44 HydrophobicContact CG-CD2 3.88Å; Y36-L44 HydrophobicContact CG-CG 4.37Å
37T94.4Very high92Very high93 Ų9354.9 Ų54.957%0.57129%0.287SS*.  trans-127.410.5178.659.50000111.7G29 D31 N35G29-T37 PolarHBondContact O-N 2.82Å; G29-T37 PolarHBondContact O-OG1 2.79Å; G29-T37 VanDerWaalsContact O-OG1 3.11Å; D31-T37 HydrophobicContact CB-CG2 4.09Å; N35-T37 PolarHBondContact O-N 3.4Å
38G88.4Confident92.1Very high21 Ų2155.8 Ų55.822%0.21629%0.293CS..  trans-72.7166.8-179.200000113.8G29 Y36 Q43G29-G38 PolarHBondContact O-N 3.12Å; Y36-G38 WeakPolarHBondContact CE1-O 3.18Å; Y36-G38 VanDerWaalsContact CZ-CA 3.43Å; Y36-G38 WeakPolarHBondContact OH-CA 3.23Å; Y36-G38 PolarHBondContact OH-O 2.84Å; G38-Q43 VanDerWaalsContact CA-OE1 3.23Å
39E87.2Confident92.2Very high198 Ų19856 Ų5693%0.92529%0.294SS*.SBendtrans-108.8-5.3-175.4-61.3-178.8171.700112.6
40S86Confident92.3Very high46 Ų4655.7 Ų55.732%0.32229%0.291SS..  trans-136.3129.4-172.2177.30000112.3Y36 L42 Q43Y36-S40 PolarHBondContact OH-N 2.6Å; Y36-S40 PolarHBondContact OH-O 2.71Å; S40-L42 PolarHBondContact O-N 2.86Å; S40-L42 VanDerWaalsContact O-N 3.08Å; S40-L42 PolarHBondContact OG-N 3.49Å; S40-Q43 VanDerWaalsContact O-CB 3.26Å; S40-Q43 WeakPolarHBondContact O-CB 3.24Å; S40-Q43 WeakPolarHBondContact O-CG 3.37Å; S40-Q43 PolarHBondContact O-N 3.4Å
41N86.8Confident92.4Very high133 Ų13355.5 Ų55.571%0.71129%0.29SS*.G310 helixtrans-57.1-26.4175.5-68.3-18.1000113.1Q43 L44 E45N41-Q43 PolarHBondContact O-N 3.09Å; N41-Q43 VanDerWaalsContact O-N 3.16Å; N41-L44 PolarHBondContact O-N 2.86Å; N41-E45 PolarHBondContact O-N 3.4Å
42L85.9Confident92.4Very high77 Ų7756 Ų5640%0.40329%0.292SS..G310 helixtrans-58.7-25.9174.6-64.5172.6000112.4S40 L44 E45 I356S40-L42 PolarHBondContact O-N 2.86Å; S40-L42 VanDerWaalsContact O-N 3.08Å; S40-L42 PolarHBondContact OG-N 3.49Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-E45 WeakPolarHBondContact CD2-OE1 3.48Å; L42-E45 PolarHBondContact O-N 3.07Å; L42-I356 HydrophobicContact CB-CD1 4.12Å
43Q89.1Confident92.2Very high35 Ų3558.2 Ų58.216%0.16430%0.299CS..G310 helixtrans-72.1-22.9177.2-62.3-176.4-81.100112.6E27 H28 Y36 G38 S40 N41E27-Q43 WeakPolarHBondContact O-CG 3.48Å; E27-Q43 PolarHBondContact O-NE2 3.32Å; H28-Q43 PolarHBondContact ND1-O 3Å; Y36-Q43 HydrophobicContact CE2-CB 4.04Å; G38-Q43 VanDerWaalsContact CA-OE1 3.23Å; S40-Q43 VanDerWaalsContact O-CB 3.26Å; S40-Q43 WeakPolarHBondContact O-CB 3.24Å; S40-Q43 WeakPolarHBondContact O-CG 3.37Å; S40-Q43 PolarHBondContact O-N 3.4Å; N41-Q43 PolarHBondContact O-N 3.09Å; N41-Q43 VanDerWaalsContact O-N 3.16Å
44L91.6Very high92Very high49 Ų4955.7 Ų55.726%0.25729%0.289SS..THydrogen-bonded Turntrans-93-13.6176.2-66.3178.4000112.4Y36 N41 L42 R46 I47 Y59Y36-L44 HydrophobicContact CD1-CD1 4.2Å; Y36-L44 HydrophobicContact CD2-CD1 4.37Å; Y36-L44 HydrophobicContact CD2-CD2 3.43Å; Y36-L44 VanDerWaalsContact CD2-CD2 3.43Å; Y36-L44 HydrophobicContact CD2-CG 3.93Å; Y36-L44 HydrophobicContact CE1-CD1 4.09Å; Y36-L44 HydrophobicContact CE1-CG 4.44Å; Y36-L44 HydrophobicContact CE2-CD1 4.25Å; Y36-L44 HydrophobicContact CE2-CD2 3.72Å; Y36-L44 HydrophobicContact CE2-CG 3.72Å; Y36-L44 HydrophobicContact CG-CD1 4.33Å; Y36-L44 HydrophobicContact CG-CD2 3.88Å; Y36-L44 HydrophobicContact CG-CG 4.37Å; N41-L44 PolarHBondContact O-N 2.86Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L44-R46 PolarHBondContact O-N 3.07Å; L44-I47 HydrophobicContact CD2-CD1 3.81Å; L44-I47 WeakPolarHBondContact O-CB 3.47Å; L44-I47 WeakPolarHBondContact O-CG2 3.38Å; L44-I47 PolarHBondContact O-N 2.98Å; L44-Y59 HydrophobicContact CD2-CE1 4.45Å; L44-Y59 HydrophobicContact CD2-CE2 4.01Å
45E89.1Confident91.6Very high87 Ų8762 Ų6241%0.40733%0.333SS..THydrogen-bonded Turntrans-63131.1177-69.7-164-149.600110.6N41 L42 I47 P243N41-E45 PolarHBondContact O-N 3.4Å; L42-E45 WeakPolarHBondContact CD2-OE1 3.48Å; L42-E45 PolarHBondContact O-N 3.07Å; E45-I47 PolarHBondContact O-N 3.46Å; E45-P243 HydrophobicContact CB-CG 4.01Å; E45-P243 HydrophobicContact CG-CG 4.44Å; E45-P243 WeakPolarHBondContact OE2-CG 3.44Å
46R91.3Very high91.1Very high78 Ų7862.8 Ų62.829%0.29434%0.344SS..THydrogen-bonded Turntrans52.919.8-177.3-50.7-178.8-179.7-178.1-1.7114.8L44 T48 V49 C239 L240 R241 F242L44-R46 PolarHBondContact O-N 3.07Å; R46-T48 PolarHBondContact O-N 3.4Å; R46-T48 VanDerWaalsContact O-N 3.1Å; R46-V49 HydrophobicContact CB-CG2 4Å; R46-V49 WeakPolarHBondContact O-CB 3.39Å; R46-V49 WeakPolarHBondContact O-CG2 3.44Å; R46-V49 PolarHBondContact O-N 3.43Å; R46-C239 PolarHBondContact NH1-O 3.45Å; R46-L240 VanDerWaalsContact CD-O 3.28Å; R46-L240 WeakPolarHBondContact CD-O 3.41Å; R46-R241 WeakPolarHBondContact CB-O 3.2Å; R46-F242 PolarHBondContact NH1-O 3.48Å; R46-F242 VanDerWaalsContact NH1-O 3.15Å
47I93.3Very high90.8Very high8 Ų866.6 Ų66.64%0.04136%0.364CS..G310 helixtrans-57.1-29.4176-165166.7000112.2H28 I30 L44 E45 V49 Y50 Y51 Y59H28-I47 HydrophobicContact CB-CD1 3.99Å; H28-I47 HydrophobicContact CB-CG1 4.38Å; I30-I47 HydrophobicContact CD1-CD1 3.82Å; I30-I47 HydrophobicContact CG1-CD1 3.97Å; L44-I47 HydrophobicContact CD2-CD1 3.81Å; L44-I47 WeakPolarHBondContact O-CB 3.47Å; L44-I47 WeakPolarHBondContact O-CG2 3.38Å; L44-I47 PolarHBondContact O-N 2.98Å; E45-I47 PolarHBondContact O-N 3.46Å; I47-V49 PolarHBondContact O-N 3.2Å; I47-V49 VanDerWaalsContact O-N 3.1Å; I47-Y50 PolarHBondContact O-N 3Å; I47-Y51 HydrophobicContact CD1-CD2 4.46Å; I47-Y51 HydrophobicContact CG1-CD2 3.71Å; I47-Y51 HydrophobicContact CG1-CE2 4.48Å; I47-Y51 HydrophobicContact CG1-CG 4.12Å; I47-Y51 WeakPolarHBondContact O-CB 3.39Å; I47-Y51 PolarHBondContact O-N 2.77Å; I47-Y59 HydrophobicContact CD1-CD1 3.61Å; I47-Y59 HydrophobicContact CD1-CD2 4.36Å; I47-Y59 HydrophobicContact CD1-CE1 3.81Å; I47-Y59 HydrophobicContact CD1-CG 3.9Å; I47-Y59 HydrophobicContact CG1-CD1 4.12Å; I47-Y59 HydrophobicContact CG1-CE1 4.4Å; I47-Y59 HydrophobicContact CG2-CD1 4.21Å; I47-Y59 HydrophobicContact CG2-CE1 3.76Å
48T94.3Very high90.9Very high31 Ų3165.3 Ų65.319%0.1935%0.35CS..G310 helixtrans-59.5-20.6178.3520000114.1M1 E3 R46 Y50 Y51 R62M1-T48 HydrophobicContact CE-CG2 4.21Å; M1-T48 PolarHBondContact SD-OG1 3.42Å; E3-T48 VanDerWaalsContact CG-O 3.24Å; E3-T48 WeakPolarHBondContact CG-O 3.41Å; R46-T48 PolarHBondContact O-N 3.4Å; R46-T48 VanDerWaalsContact O-N 3.1Å; T48-Y50 PolarHBondContact O-N 2.68Å; T48-Y51 CarbonylContact C-O 3.1Å; T48-Y51 VanDerWaalsContact CA-O 3.23Å; T48-Y51 WeakPolarHBondContact CA-O 3.49Å; T48-Y51 VanDerWaalsContact O-O 3.08Å; T48-R62 PolarHBondContact O-NE 3.16Å; T48-R62 VanDerWaalsContact O-NE 3.16Å
49V95.1Very high91.3Very high6 Ų665.4 Ų65.44%0.03634%0.344CS..G310 helixtrans-55.8-42.7177.8174.30000110.9R2 I4 R46 I47 L240R2-V49 WeakPolarHBondContact O-CG2 3.32Å; I4-V49 HydrophobicContact CD1-CG1 3.86Å; I4-V49 HydrophobicContact CG1-CG1 4.15Å; I4-V49 PolarHBondContact N-O 3.35Å; R46-V49 HydrophobicContact CB-CG2 4Å; R46-V49 WeakPolarHBondContact O-CB 3.39Å; R46-V49 WeakPolarHBondContact O-CG2 3.44Å; R46-V49 PolarHBondContact O-N 3.43Å; I47-V49 PolarHBondContact O-N 3.2Å; I47-V49 VanDerWaalsContact O-N 3.1Å; V49-L240 HydrophobicContact CG1-CB 4.29Å; V49-L240 WeakPolarHBondContact CG2-O 3.44Å
50Y96.7Very high91.7Very high1 Ų157.3 Ų57.30%0.00431%0.309CS..THydrogen-bonded Turntrans-117.5-16.6-178.8-81.2-77.9000114.1I4 H6 F20 W21 I24 I47 T48 P61 R62 Q134 T237 R241I4-Y50 HydrophobicContact CB-CE1 4.25Å; I4-Y50 HydrophobicContact CD1-CE2 4.27Å; I4-Y50 HydrophobicContact CG2-CE1 4.02Å; H6-Y50 HydrophobicContact CB-CE1 4.47Å; F20-Y50 HydrophobicContact CE1-CE1 4.22Å; F20-Y50 HydrophobicContact CZ-CE1 4.31Å; W21-Y50 AromaticContact CH2-CD1 3.74Å; W21-Y50 HydrophobicContact CH2-CD1 3.74Å; W21-Y50 HydrophobicContact CH2-CG 4.18Å; W21-Y50 WeakPolarHBondContact CH2-O 3.42Å; W21-Y50 HydrophobicContact CZ2-CD1 4.29Å; W21-Y50 HydrophobicContact CZ3-CD1 4.48Å; I24-Y50 HydrophobicContact CD1-CG 4.24Å; I47-Y50 PolarHBondContact O-N 3Å; T48-Y50 PolarHBondContact O-N 2.68Å; Y50-P61 CarbonylContact O-C 3.58Å; Y50-R62 PolarHBondContact O-N 3.1Å; Y50-Q134 VanDerWaalsContact OH-CD 3.27Å; Y50-Q134 PolarHBondContact OH-NE2 3.17Å; Y50-Q134 PolarHBondContact OH-OE1 3.46Å; Y50-T237 HydrophobicContact CE2-CG2 4.43Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.34Å; Y50-R241 HydrophobicContact CD2-CG 3.57Å; Y50-R241 HydrophobicContact CE2-CG 3.75Å
51Y96.9Very high92.3Very high1 Ų155.2 Ų55.20%0.00429%0.294CS..EExtended strand (participates in β ladder)trans-114.7148.3-179.5-64.6-96.3000111.3W21 I24 S25 I30 I47 T48 V60 P61 R62 L84W21-Y51 HydrophobicContact CE3-CE1 4.32Å; W21-Y51 HydrophobicContact CE3-CE2 4.47Å; W21-Y51 AromaticContact CE3-CZ 3.89Å; W21-Y51 HydrophobicContact CZ3-CD2 4.49Å; W21-Y51 HydrophobicContact CZ3-CE1 4.1Å; W21-Y51 AromaticContact CZ3-CE2 3.93Å; W21-Y51 HydrophobicContact CZ3-CE2 3.93Å; W21-Y51 AromaticContact CZ3-CZ 3.71Å; I24-Y51 HydrophobicContact CD1-CE2 4.27Å; S25-Y51 WeakPolarHBondContact CA-OH 3.25Å; S25-Y51 WeakPolarHBondContact CB-OH 3.24Å; S25-Y51 PolarHBondContact N-OH 3.14Å; S25-Y51 PolarHBondContact OG-OH 2.98Å; I30-Y51 HydrophobicContact CG2-CE1 4.43Å; I47-Y51 HydrophobicContact CD1-CD2 4.46Å; I47-Y51 HydrophobicContact CG1-CD2 3.71Å; I47-Y51 HydrophobicContact CG1-CE2 4.48Å; I47-Y51 HydrophobicContact CG1-CG 4.12Å; I47-Y51 WeakPolarHBondContact O-CB 3.39Å; I47-Y51 PolarHBondContact O-N 2.77Å; T48-Y51 CarbonylContact C-O 3.1Å; T48-Y51 VanDerWaalsContact CA-O 3.23Å; T48-Y51 WeakPolarHBondContact CA-O 3.49Å; T48-Y51 VanDerWaalsContact O-O 3.08Å; Y51-V60 CarbonylContact C-O 3.54Å; Y51-V60 WeakPolarHBondContact CA-O 3.2Å; Y51-P61 HydrophobicContact CD1-CG 4.22Å; Y51-P61 HydrophobicContact CE1-CG 3.84Å; Y51-R62 PolarHBondContact O-NE 2.95Å; Y51-R62 PolarHBondContact O-NH2 3.4Å; Y51-L84 HydrophobicContact CE1-CD2 4.42Å
52N95Very high92.8Very high46 Ų4649.3 Ų49.325%0.24626%0.262CS..EExtended strand (participates in β ladder)trans-101.2134.6161.6-176.245.5000109V60N52-V60 PolarHBondContact N-O 3.3Å; N52-V60 PolarHBondContact O-N 3.43Å
53E93.5Very high93.4Very high96 Ų9645.7 Ų45.745%0.44924%0.243SC..EExtended strand (participates in β ladder)trans-87.4121.9173.3-170.2177.5176.100109.3Y59E53-Y59 HydrophobicContact CB-CD1 4.35Å; E53-Y59 HydrophobicContact CB-CE1 4.11Å; E53-Y59 HydrophobicContact CG-CE1 4.07Å
54S89.5Confident93.8Very high33 Ų3344 Ų4423%0.23124%0.235CC..PPolyproline II helixtrans-77.9164.4176.8810000111.5S56 Q57 K58S54-S56 PolarHBondContact O-N 2.98Å; S54-S56 VanDerWaalsContact O-N 3.07Å; S54-S56 PolarHBondContact OG-N 2.9Å; S54-S56 VanDerWaalsContact OG-N 3.15Å; S54-S56 PolarHBondContact OG-OG 3Å; S54-Q57 PolarHBondContact O-N 3.48Å; S54-K58 WeakPolarHBondContact CB-O 3.49Å; S54-K58 PolarHBondContact N-O 2.84Å; S54-K58 WeakPolarHBondContact OG-CB 3.47Å; S54-K58 PolarHBondContact OG-N 2.98Å; S54-K58 VanDerWaalsContact OG-N 3.11Å; S54-K58 PolarHBondContact OG-O 2.79Å
55S86.5Confident94.1Very high135 Ų13541.7 Ų41.794%0.94422%0.223SC*.THydrogen-bonded Turntrans-59.9-17.8171.556.30000114.2Q57S55-Q57 VanDerWaalsContact C-N 3.33Å
56S87.9Confident94.6Very high77 Ų7737.6 Ų37.654%0.53820%0.203SC..THydrogen-bonded Turntrans-93.917.1174.855.10000113.5S54 K58S54-S56 PolarHBondContact O-N 2.98Å; S54-S56 VanDerWaalsContact O-N 3.07Å; S54-S56 PolarHBondContact OG-N 2.9Å; S54-S56 VanDerWaalsContact OG-N 3.15Å; S54-S56 PolarHBondContact OG-OG 3Å; S56-K58 PolarHBondContact O-N 2.83Å
57Q88.9Confident94.9Very high147 Ų14734 Ų3469%0.68719%0.19SC*.SBendtrans57.333.4-177.3-61.4-178.5-18.500112.9S54 S55S54-Q57 PolarHBondContact O-N 3.48Å; S55-Q57 VanDerWaalsContact C-N 3.33Å
58K94.9Very high95Very high67 Ų6733.6 Ų33.629%0.29119%0.188SC..  trans-102.8137.1173.7-63.4-172.2169.9-160.70110.4G34 S54 S56G34-K58 CarbonylContact O-C 3.6Å; G34-K58 WeakPolarHBondContact O-CA 3.46Å; S54-K58 WeakPolarHBondContact CB-O 3.49Å; S54-K58 PolarHBondContact N-O 2.84Å; S54-K58 WeakPolarHBondContact OG-CB 3.47Å; S54-K58 PolarHBondContact OG-N 2.98Å; S54-K58 VanDerWaalsContact OG-N 3.11Å; S54-K58 PolarHBondContact OG-O 2.79Å; S56-K58 PolarHBondContact O-N 2.83Å
59Y96.9Very high95Very high22 Ų2236.7 Ų36.79%0.08620%0.201CC..EExtended strand (participates in β ladder)trans-89.3119.9174.6-62.9-81.2000109.7I30 G34 L44 I47 E53 L84I30-Y59 HydrophobicContact CD1-CD2 3.34Å; I30-Y59 HydrophobicContact CD1-CE2 4Å; I30-Y59 HydrophobicContact CD1-CG 3.77Å; I30-Y59 HydrophobicContact CG1-CD2 4.45Å; I30-Y59 HydrophobicContact CG1-CG 4.48Å; G34-Y59 WeakPolarHBondContact CA-O 3.12Å; G34-Y59 PolarHBondContact O-N 2.87Å; L44-Y59 HydrophobicContact CD2-CE1 4.45Å; L44-Y59 HydrophobicContact CD2-CE2 4.01Å; I47-Y59 HydrophobicContact CD1-CD1 3.61Å; I47-Y59 HydrophobicContact CD1-CD2 4.36Å; I47-Y59 HydrophobicContact CD1-CE1 3.81Å; I47-Y59 HydrophobicContact CD1-CG 3.9Å; I47-Y59 HydrophobicContact CG1-CD1 4.12Å; I47-Y59 HydrophobicContact CG1-CE1 4.4Å; I47-Y59 HydrophobicContact CG2-CD1 4.21Å; I47-Y59 HydrophobicContact CG2-CE1 3.76Å; E53-Y59 HydrophobicContact CB-CD1 4.35Å; E53-Y59 HydrophobicContact CB-CE1 4.11Å; E53-Y59 HydrophobicContact CG-CE1 4.07Å; Y59-L84 WeakPolarHBondContact O-CD1 3.46Å
60V96.9Very high95Very high29 Ų2938.4 Ų38.418%0.17621%0.212CC..EExtended strand (participates in β ladder)trans-115.9125.2-179-177.70000108.9Y51 N52 R86Y51-V60 CarbonylContact C-O 3.54Å; Y51-V60 WeakPolarHBondContact CA-O 3.2Å; N52-V60 PolarHBondContact N-O 3.3Å; N52-V60 PolarHBondContact O-N 3.43Å; V60-R86 HydrophobicContact CG1-CB 4.2Å
61P97.6Very high94.8Very high2 Ų240.3 Ų40.31%0.01323%0.232CC..EExtended strand (participates in β ladder)trans-53136174.8-32.439.5000113.5W21 Y50 Y51 A63 L84 F85W21-P61 HydrophobicContact CD2-CB 4Å; W21-P61 HydrophobicContact CD2-CG 4.13Å; W21-P61 HydrophobicContact CE3-CB 3.75Å; W21-P61 HydrophobicContact CE3-CG 3.72Å; W21-P61 HydrophobicContact CH2-CB 3.55Å; W21-P61 HydrophobicContact CH2-CG 4.38Å; W21-P61 HydrophobicContact CZ2-CB 3.79Å; W21-P61 HydrophobicContact CZ3-CB 3.52Å; W21-P61 HydrophobicContact CZ3-CG 3.85Å; Y50-P61 CarbonylContact O-C 3.58Å; Y51-P61 HydrophobicContact CD1-CG 4.22Å; Y51-P61 HydrophobicContact CE1-CG 3.84Å; P61-A63 HydrophobicContact CB-CB 3.82Å; P61-A63 PolarHBondContact O-N 3.02Å; P61-L84 VanDerWaalsContact CD-O 3.28Å; P61-L84 WeakPolarHBondContact CD-O 3.47Å; P61-L84 HydrophobicContact CG-CD1 4.44Å; P61-L84 HydrophobicContact CG-CD2 3.62Å; P61-L84 HydrophobicContact CG-CG 3.61Å; P61-F85 HydrophobicContact CB-CD1 3.98Å; P61-F85 HydrophobicContact CB-CE1 4.04Å; P61-F85 HydrophobicContact CG-CD1 4.04Å; P61-F85 HydrophobicContact CG-CE1 4.04Å
62R97.5Very high94.5Very high9 Ų941 Ų413%0.03424%0.236CC..  trans-77.261.1163.3-61.7179.5-170.7-78.5-1.7109.2H6 T48 Y50 Y51 N126H6-R62 PolarHBondContact N-O 3.04Å; T48-R62 PolarHBondContact O-NE 3.16Å; T48-R62 VanDerWaalsContact O-NE 3.16Å; Y50-R62 PolarHBondContact O-N 3.1Å; Y51-R62 PolarHBondContact O-NE 2.95Å; Y51-R62 PolarHBondContact O-NH2 3.4Å; R62-N126 PolarHBondContact NH1-O 2.98Å
63A97.9Very high94.5Very high1 Ų138.9 Ų38.91%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-118.6140.6-173.500000111H6 W21 P61 L65 F85 N89H6-A63 CarbonylContact O-C 3.53Å; H6-A63 VanDerWaalsContact O-CA 3.26Å; H6-A63 WeakPolarHBondContact O-CA 3.25Å; W21-A63 HydrophobicContact CZ2-CB 3.62Å; P61-A63 HydrophobicContact CB-CB 3.82Å; P61-A63 PolarHBondContact O-N 3.02Å; A63-L65 HydrophobicContact CB-CD1 4.27Å; A63-F85 HydrophobicContact CB-CD1 3.86Å; A63-F85 HydrophobicContact CB-CE1 3.86Å; A63-N89 WeakPolarHBondContact O-CB 3.44Å; A63-N89 PolarHBondContact O-ND2 3Å
64I98.5Very high94.5Very high0 Ų038.3 Ų38.30%023%0.225CC..EExtended strand (participates in β ladder)trans-121.9124.8173.3-50.6173.6000107.3V5 H6 I7 Q8 V66 V116 V119 M120 E123V5-I64 HydrophobicContact CG1-CD1 3.78Å; V5-I64 HydrophobicContact CG1-CG1 4.26Å; H6-I64 PolarHBondContact O-N 3.48Å; I7-I64 WeakPolarHBondContact CA-O 3.48Å; I7-I64 HydrophobicContact CG1-CD1 4.42Å; Q8-I64 PolarHBondContact N-O 3.34Å; I64-V66 HydrophobicContact CG2-CG2 3.86Å; I64-V116 HydrophobicContact CG2-CG1 4.34Å; I64-V119 HydrophobicContact CD1-CG1 4.18Å; I64-V119 HydrophobicContact CG1-CG1 4.08Å; I64-V119 HydrophobicContact CG2-CG1 4.03Å; I64-M120 HydrophobicContact CD1-CB 3.51Å; I64-M120 HydrophobicContact CD1-CG 4.02Å; I64-E123 HydrophobicContact CD1-CG 4.36Å; I64-E123 HydrophobicContact CG1-CG 4.27Å
65L98.5Very high94.7Very high0 Ų040.4 Ų40.40%024%0.24CC..EExtended strand (participates in β ladder)trans-111116.1-175.3-64.291.9000108N14 A63 M73 V76 F85 N89 F90 V91N14-L65 WeakPolarHBondContact OD1-CB 3.25Å; A63-L65 HydrophobicContact CB-CD1 4.27Å; L65-M73 HydrophobicContact CB-CE 4.37Å; L65-M73 HydrophobicContact CB-SD 4.08Å; L65-V76 HydrophobicContact CD2-CB 4.4Å; L65-V76 HydrophobicContact CD2-CG1 3.68Å; L65-V76 HydrophobicContact CD2-CG2 4.44Å; L65-F85 HydrophobicContact CD1-CB 4.24Å; L65-F85 HydrophobicContact CD1-CD1 3.82Å; L65-F85 HydrophobicContact CD1-CE1 4.36Å; L65-F85 HydrophobicContact CD1-CG 3.99Å; L65-N89 PolarHBondContact N-O 3.47Å; L65-F90 HydrophobicContact CB-CD1 4.1Å; L65-F90 HydrophobicContact CB-CE1 4.37Å; L65-F90 HydrophobicContact CD1-CE1 4.45Å; L65-F90 HydrophobicContact CD1-CE2 4.48Å; L65-F90 HydrophobicContact CD1-CZ 4.33Å; L65-F90 HydrophobicContact CD2-CD1 4.38Å; L65-F90 HydrophobicContact CD2-CE1 3.82Å; L65-F90 HydrophobicContact CD2-CZ 4.21Å; L65-F90 HydrophobicContact CG-CE1 4.45Å; L65-F90 WeakPolarHBondContact O-CA 3.48Å; L65-V91 PolarHBondContact O-N 2.92Å
66V98.3Very high95.1Very high0 Ų034.6 Ų34.60%020%0.198CC..EExtended strand (participates in β ladder)trans-123.9129.3-170.8-171.50000109.7I7 Q8 V9 G10 N14 I64 V91 L112 V116 L147I7-V66 HydrophobicContact CG2-CG2 4.38Å; Q8-V66 WeakPolarHBondContact O-CA 3.09Å; Q8-V66 PolarHBondContact O-N 3.38Å; V9-V66 WeakPolarHBondContact CA-O 3.24Å; V9-V66 HydrophobicContact CG2-CB 4.42Å; G10-V66 PolarHBondContact N-O 3.17Å; N14-V66 PolarHBondContact ND2-O 3.46Å; I64-V66 HydrophobicContact CG2-CG2 3.86Å; V66-V91 VanDerWaalsContact CA-O 3.3Å; V66-V91 WeakPolarHBondContact CA-O 3.35Å; V66-L112 HydrophobicContact CG1-CD2 4.12Å; V66-V116 HydrophobicContact CB-CG2 4.5Å; V66-V116 HydrophobicContact CG1-CG2 3.68Å; V66-V116 HydrophobicContact CG2-CB 4.49Å; V66-V116 HydrophobicContact CG2-CG1 3.66Å; V66-V116 HydrophobicContact CG2-CG2 3.95Å; V66-L147 HydrophobicContact CG1-CD2 3.7Å
67D97.7Very high95.4Very high2 Ų235.8 Ų35.81%0.01119%0.191CC..EExtended strand (participates in β ladder)trans-151.4156.1166.5-152-21.9000110.6Q11 T72 M73 V91 F92 G93Q11-D67 PolarHBondContact N-OD2 3.4Å; Q11-D67 VanDerWaalsContact N-OD2 3.12Å; D67-T72 WeakPolarHBondContact OD2-CB 3.29Å; D67-T72 WeakPolarHBondContact OD2-CG2 3.42Å; D67-T72 PolarHBondContact OD2-OG1 3.01Å; D67-M73 HydrophobicContact CB-CE 3.78Å; D67-V91 PolarHBondContact N-O 2.95Å; D67-F92 CarbonylContact O-C 3.51Å; D67-F92 WeakPolarHBondContact O-CA 3.49Å; D67-F92 VanDerWaalsContact O-CB 3.25Å; D67-F92 WeakPolarHBondContact O-CB 3.45Å; D67-G93 PolarHBondContact O-N 3.47Å
68L97Very high95.6Very high1 Ų134.6 Ų34.61%0.00519%0.194CC..SBendtrans-81.7-11.2175.1-71.7174.2000112G93 Q94 S95 A97 E108 L112 T143 L147L68-G93 CarbonylContact O-C 3.45Å; L68-G93 WeakPolarHBondContact O-CA 3.26Å; L68-Q94 PolarHBondContact O-N 2.91Å; L68-S95 WeakPolarHBondContact CB-O 3.21Å; L68-S95 CarbonylContact O-C 3.4Å; L68-S95 PolarHBondContact O-N 3.24Å; L68-S95 VanDerWaalsContact O-N 3.16Å; L68-A97 HydrophobicContact CD1-CB 3.68Å; L68-E108 HydrophobicContact CD1-CB 3.92Å; L68-E108 HydrophobicContact CD2-CB 3.87Å; L68-E108 HydrophobicContact CG-CB 4.45Å; L68-L112 HydrophobicContact CD2-CB 4.24Å; L68-L112 HydrophobicContact CD2-CD2 3.86Å; L68-T143 HydrophobicContact CB-CG2 4.26Å; L68-T143 HydrophobicContact CD1-CG2 4.03Å; L68-T143 HydrophobicContact CG-CG2 3.8Å; L68-L147 HydrophobicContact CD2-CD2 4.08Å; L68-L147 HydrophobicContact CG-CD2 4.12Å
69E93.5Very high95.6Very high96 Ų9632.6 Ų32.645%0.44919%0.192SC..SBendtrans-122.3142.7-179.7-62.9-178.6111.500112.3G71E69-G71 VanDerWaalsContact C-N 3.32Å; E69-G71 PolarHBondContact O-N 3.44Å
70P94.1Very high95.3Very high42 Ų4236.2 Ų36.227%0.27322%0.219SC..Hα-helixtrans-70.6-26-179.127-34.5000113.5T72 M73 D74 F92P70-T72 VanDerWaalsContact C-N 3.33Å; P70-T72 PolarHBondContact O-N 3.02Å; P70-M73 WeakPolarHBondContact O-CB 3.34Å; P70-M73 PolarHBondContact O-N 2.89Å; P70-D74 PolarHBondContact O-N 2.84Å; P70-F92 HydrophobicContact CB-CD2 3.96Å; P70-F92 HydrophobicContact CB-CE2 4.02Å
71G93.1Very high95.2Very high41 Ų4136.6 Ų36.642%0.42322%0.218SC..Hα-helixtrans-60.2-37.5-171.300000114.2E69 S75E69-G71 VanDerWaalsContact C-N 3.32Å; E69-G71 PolarHBondContact O-N 3.44Å; G71-S75 PolarHBondContact O-N 2.92Å; G71-S75 VanDerWaalsContact O-N 3.15Å; G71-S75 PolarHBondContact O-OG 3.37Å
72T91.6Very high95Very high16 Ų1636.8 Ų36.810%0.09822%0.221CC..Hα-helixtrans-65.2-42.7174.5-55.80000111N14 D67 P70 S75 V76N14-T72 HydrophobicContact CB-CG2 3.52Å; D67-T72 WeakPolarHBondContact OD2-CB 3.29Å; D67-T72 WeakPolarHBondContact OD2-CG2 3.42Å; D67-T72 PolarHBondContact OD2-OG1 3.01Å; P70-T72 VanDerWaalsContact C-N 3.33Å; P70-T72 PolarHBondContact O-N 3.02Å; T72-S75 WeakPolarHBondContact O-CB 3.42Å; T72-S75 PolarHBondContact O-N 3.37Å; T72-V76 WeakPolarHBondContact O-CG2 3.47Å; T72-V76 PolarHBondContact O-N 2.95Å
73M94Very high94.8Very high0 Ų044 Ų440%025%0.252CS..Hα-helixtrans-65-42.7-178.5-58.8-63.994.800111.8N14 L65 D67 P70 S75 V76 R77 F90 F92N14-M73 HydrophobicContact CB-CE 4.35Å; N14-M73 VanDerWaalsContact CG-CE 3.48Å; N14-M73 WeakPolarHBondContact ND2-CE 3.49Å; N14-M73 WeakPolarHBondContact OD1-CE 3.49Å; L65-M73 HydrophobicContact CB-CE 4.37Å; L65-M73 HydrophobicContact CB-SD 4.08Å; D67-M73 HydrophobicContact CB-CE 3.78Å; P70-M73 WeakPolarHBondContact O-CB 3.34Å; P70-M73 PolarHBondContact O-N 2.89Å; M73-S75 VanDerWaalsContact C-N 3.29Å; M73-S75 PolarHBondContact O-N 3.34Å; M73-V76 PolarHBondContact O-N 2.87Å; M73-R77 WeakPolarHBondContact O-CB 3.36Å; M73-R77 WeakPolarHBondContact O-CG 3.46Å; M73-R77 PolarHBondContact O-N 3.1Å; M73-F90 HydrophobicContact CB-CD1 4.29Å; M73-F90 HydrophobicContact SD-CB 4.48Å; M73-F90 HydrophobicContact SD-CD1 3.77Å; M73-F92 HydrophobicContact CB-CD1 4.21Å; M73-F92 HydrophobicContact CG-CB 3.74Å; M73-F92 HydrophobicContact CG-CD1 3.65Å; M73-F92 HydrophobicContact CG-CE1 4.45Å; M73-F92 HydrophobicContact CG-CG 3.76Å; M73-F92 HydrophobicContact SD-CB 4.5Å; M73-F92 HydrophobicContact SD-CD1 4.45Å
74D94Very high94.8Very high84 Ų8444.2 Ų44.245%0.44925%0.253SS..Hα-helixtrans-63-38.1175.6-71.5-25000111.6P70 R77 T78P70-D74 PolarHBondContact O-N 2.84Å; D74-R77 PolarHBondContact O-N 3.18Å; D74-T78 WeakPolarHBondContact O-CB 3.44Å; D74-T78 VanDerWaalsContact O-CG2 3.29Å; D74-T78 WeakPolarHBondContact O-CG2 3.44Å; D74-T78 PolarHBondContact O-N 3.41Å; D74-T78 PolarHBondContact O-OG1 2.89Å
75S94Very high94.7Very high78 Ų7844.7 Ų44.755%0.54526%0.255SS..Hα-helixtrans-63.1-42.1175.3-58.40000112G71 T72 M73 T78 G79G71-S75 PolarHBondContact O-N 2.92Å; G71-S75 VanDerWaalsContact O-N 3.15Å; G71-S75 PolarHBondContact O-OG 3.37Å; T72-S75 WeakPolarHBondContact O-CB 3.42Å; T72-S75 PolarHBondContact O-N 3.37Å; M73-S75 VanDerWaalsContact C-N 3.29Å; M73-S75 PolarHBondContact O-N 3.34Å; S75-T78 PolarHBondContact O-OG1 2.9Å; S75-G79 PolarHBondContact O-N 3.49Å; S75-G79 VanDerWaalsContact O-N 3.11Å
76V94.6Very high94.5Very high13 Ų1348.3 Ų48.38%0.07927%0.269CS..Hα-helixtrans-67.8-45.2176.3178.10000111.2N14 S18 L65 T72 M73 T78 G79 G82 F85 F90N14-V76 HydrophobicContact CB-CG2 4.27Å; S18-V76 WeakPolarHBondContact OG-CG2 3.21Å; L65-V76 HydrophobicContact CD2-CB 4.4Å; L65-V76 HydrophobicContact CD2-CG1 3.68Å; L65-V76 HydrophobicContact CD2-CG2 4.44Å; T72-V76 WeakPolarHBondContact O-CG2 3.47Å; T72-V76 PolarHBondContact O-N 2.95Å; M73-V76 PolarHBondContact O-N 2.87Å; V76-T78 VanDerWaalsContact C-N 3.31Å; V76-T78 PolarHBondContact O-N 2.85Å; V76-G79 PolarHBondContact O-N 2.78Å; V76-G79 VanDerWaalsContact O-N 3.07Å; V76-G82 WeakPolarHBondContact O-CA 3.46Å; V76-F85 HydrophobicContact CG1-CD2 4.22Å; V76-F85 HydrophobicContact CG1-CE2 4.05Å; V76-F90 HydrophobicContact CB-CE1 4.34Å; V76-F90 HydrophobicContact CG1-CE1 4.13Å; V76-F90 HydrophobicContact CG1-CZ 4.44Å
77R94.4Very high94.3Very high101 Ų10152.6 Ų52.638%0.38130%0.297SS..Hα-helixtrans-62.5-36.3-179.7-75.6175.7176.4177.3-2.7113.2M73 D74 G79 F90M73-R77 WeakPolarHBondContact O-CB 3.36Å; M73-R77 WeakPolarHBondContact O-CG 3.46Å; M73-R77 PolarHBondContact O-N 3.1Å; D74-R77 PolarHBondContact O-N 3.18Å; R77-G79 VanDerWaalsContact C-N 3.32Å; R77-F90 HydrophobicContact CG-CD1 4.25Å; R77-F90 HydrophobicContact CG-CE1 3.7Å; R77-F90 HydrophobicContact CG-CZ 3.87Å
78T93.9Very high94.3Very high122 Ų12258.6 Ų58.675%0.74833%0.329SS*.Hα-helixtrans-82.1-13.7176.755.80000112.9D74 S75 V76D74-T78 WeakPolarHBondContact O-CB 3.44Å; D74-T78 VanDerWaalsContact O-CG2 3.29Å; D74-T78 WeakPolarHBondContact O-CG2 3.44Å; D74-T78 PolarHBondContact O-N 3.41Å; D74-T78 PolarHBondContact O-OG1 2.89Å; S75-T78 PolarHBondContact O-OG1 2.9Å; V76-T78 VanDerWaalsContact C-N 3.31Å; V76-T78 PolarHBondContact O-N 2.85Å
79G93Very high94.3Very high25 Ų2558.8 Ų58.826%0.25833%0.33SS..SBendtrans-66164.6175.500000113.2S75 V76 R77 F81 G82S75-G79 PolarHBondContact O-N 3.49Å; S75-G79 VanDerWaalsContact O-N 3.11Å; V76-G79 PolarHBondContact O-N 2.78Å; V76-G79 VanDerWaalsContact O-N 3.07Å; R77-G79 VanDerWaalsContact C-N 3.32Å; G79-F81 PolarHBondContact O-N 3.29Å; G79-F81 VanDerWaalsContact O-N 3.14Å; G79-G82 PolarHBondContact O-N 2.85Å
80P92.5Very high94.5Very high99 Ų9955 Ų5564%0.64331%0.312SS*.THydrogen-bonded Turntrans-57-35.7-173.4-24.433.7000113.7P32P32-P80 VanDerWaalsContact CB-O 3.25Å; P32-P80 WeakPolarHBondContact CB-O 3.27Å
81F94.5Very high94.7Very high36 Ų3653.6 Ų53.616%0.15830%0.303CS..THydrogen-bonded Turntrans-101.111.4179.7-73.3-101.7000113.6E22 P32 G79 K83 L84E22-F81 HydrophobicContact CB-CD2 4.27Å; E22-F81 HydrophobicContact CB-CE2 4.05Å; E22-F81 HydrophobicContact CB-CZ 4.46Å; E22-F81 HydrophobicContact CG-CD2 3.5Å; E22-F81 HydrophobicContact CG-CE2 3.73Å; E22-F81 HydrophobicContact CG-CG 4.12Å; P32-F81 HydrophobicContact CB-CD1 4.02Å; P32-F81 HydrophobicContact CB-CE1 4.21Å; P32-F81 HydrophobicContact CB-CG 4.21Å; P32-F81 HydrophobicContact CG-CD1 4.2Å; P32-F81 HydrophobicContact CG-CD2 4.39Å; P32-F81 HydrophobicContact CG-CE1 3.91Å; P32-F81 HydrophobicContact CG-CE2 4.13Å; P32-F81 HydrophobicContact CG-CG 4.45Å; P32-F81 HydrophobicContact CG-CZ 3.89Å; G79-F81 PolarHBondContact O-N 3.29Å; G79-F81 VanDerWaalsContact O-N 3.14Å; F81-K83 PolarHBondContact O-N 2.98Å; F81-K83 VanDerWaalsContact O-N 3.12Å; F81-L84 HydrophobicContact CB-CB 4.47Å; F81-L84 HydrophobicContact CD1-CD2 3.94Å; F81-L84 WeakPolarHBondContact O-CB 2.94Å; F81-L84 PolarHBondContact O-N 3.48Å
82G92.8Very high94.9Very high7 Ų754.6 Ų54.67%0.07230%0.295CS..THydrogen-bonded Turntrans-59.6-28.4-176.600000114.4V76 G79 L84V76-G82 WeakPolarHBondContact O-CA 3.46Å; G79-G82 PolarHBondContact O-N 2.85Å; G82-L84 VanDerWaalsContact C-N 3.33Å
83K94Very high95Very high161 Ų16154.5 Ų54.570%0.730%0.298SS*.THydrogen-bonded Turntrans-82.2-7.9177.8-65.1-177.9-178.51760114.3M33 F81M33-K83 HydrophobicContact CE-CD 4.28Å; M33-K83 HydrophobicContact SD-CB 4.17Å; M33-K83 HydrophobicContact SD-CD 3.76Å; F81-K83 PolarHBondContact O-N 2.98Å; F81-K83 VanDerWaalsContact O-N 3.12Å
84L96.1Very high94.9Very high5 Ų561.7 Ų61.73%0.02633%0.331CS..THydrogen-bonded Turntrans-72.5-35.5177.7-176.665.7000110.7S25 I30 P32 Y51 Y59 P61 F81 G82S25-L84 VanDerWaalsContact OG-CD2 3.31Å; S25-L84 WeakPolarHBondContact OG-CD2 3.23Å; I30-L84 HydrophobicContact CG2-CD1 4.05Å; P32-L84 PolarHBondContact O-N 2.77Å; Y51-L84 HydrophobicContact CE1-CD2 4.42Å; Y59-L84 WeakPolarHBondContact O-CD1 3.46Å; P61-L84 VanDerWaalsContact CD-O 3.28Å; P61-L84 WeakPolarHBondContact CD-O 3.47Å; P61-L84 HydrophobicContact CG-CD1 4.44Å; P61-L84 HydrophobicContact CG-CD2 3.62Å; P61-L84 HydrophobicContact CG-CG 3.61Å; F81-L84 HydrophobicContact CB-CB 4.47Å; F81-L84 HydrophobicContact CD1-CD2 3.94Å; F81-L84 WeakPolarHBondContact O-CB 2.94Å; F81-L84 PolarHBondContact O-N 3.48Å; G82-L84 VanDerWaalsContact C-N 3.33Å
85F96.5Very high94.6Very high9 Ų960.3 Ų60.34%0.03933%0.328CS..SBendtrans-77.9147-176.8-59-70.9000112.8W21 P61 A63 L65 V76 F90W21-F85 HydrophobicContact CB-CE1 4.27Å; W21-F85 HydrophobicContact CB-CZ 3.82Å; W21-F85 AromaticContact CD1-CE1 3.38Å; W21-F85 AromaticContact CD1-CZ 3.43Å; W21-F85 VanDerWaalsContact CD1-CZ 3.43Å; W21-F85 HydrophobicContact CD2-CE1 4.09Å; W21-F85 AromaticContact CG-CE1 3.67Å; W21-F85 HydrophobicContact CG-CE1 3.67Å; W21-F85 AromaticContact CG-CZ 3.66Å; W21-F85 HydrophobicContact CG-CZ 3.66Å; W21-F85 AromaticContact NE1-CE1 3.65Å; P61-F85 HydrophobicContact CB-CD1 3.98Å; P61-F85 HydrophobicContact CB-CE1 4.04Å; P61-F85 HydrophobicContact CG-CD1 4.04Å; P61-F85 HydrophobicContact CG-CE1 4.04Å; A63-F85 HydrophobicContact CB-CD1 3.86Å; A63-F85 HydrophobicContact CB-CE1 3.86Å; L65-F85 HydrophobicContact CD1-CB 4.24Å; L65-F85 HydrophobicContact CD1-CD1 3.82Å; L65-F85 HydrophobicContact CD1-CE1 4.36Å; L65-F85 HydrophobicContact CD1-CG 3.99Å; V76-F85 HydrophobicContact CG1-CD2 4.22Å; V76-F85 HydrophobicContact CG1-CE2 4.05Å; F85-F90 HydrophobicContact CB-CE2 3.56Å; F85-F90 HydrophobicContact CB-CZ 3.73Å; F85-F90 HydrophobicContact CD2-CZ 4.23Å; F85-F90 HydrophobicContact CG-CZ 4.26Å
86R95.2Very high94.4Very high76 Ų7657.2 Ų57.229%0.28731%0.309SS..  trans-66.2126.9172.3-177.6177.2-75.6172.5-8.4109.6V60 D88 N89 F90 E123V60-R86 HydrophobicContact CG1-CB 4.2Å; R86-D88 HydrophobicContact CG-CB 4.27Å; R86-D88 PolarHBondContact O-N 3.33Å; R86-N89 HydrophobicContact CB-CB 4.29Å; R86-N89 VanDerWaalsContact CD-OD1 3.27Å; R86-N89 WeakPolarHBondContact CD-OD1 3.44Å; R86-N89 PolarHBondContact O-N 2.92Å; R86-F90 WeakPolarHBondContact O-CD2 3.42Å; R86-E123 IonicContact CZ-OE1 3.37Å; R86-E123 IonicContact NH1-OE1 2.64Å; R86-E123 PolarHBondContact NH1-OE1 3.25Å
87P94.9Very high94.3Very high91 Ų9156.7 Ų56.759%0.59131%0.306SS*.G310 helixtrans-56.7-36-179.5-28.736.2000114.3N89 F90P87-N89 PolarHBondContact O-N 3.49Å; P87-F90 WeakPolarHBondContact O-CD2 3.44Å; P87-F90 PolarHBondContact O-N 3.31Å
88D95.8Very high94.1Very high127 Ų12755 Ų5568%0.67932%0.32SS*.G310 helixtrans-71.5-11.6180-58.8-24.5000113.3R86 F90R86-D88 HydrophobicContact CG-CB 4.27Å; R86-D88 PolarHBondContact O-N 3.33Å; D88-F90 VanDerWaalsContact C-N 3.34Å
89N97.5Very high94.1Very high5 Ų552.8 Ų52.83%0.02730%0.303CS..G310 helixtrans-92.73.4179.5-66.721.6000113.1A63 L65 R86 P87 V119 E123A63-N89 WeakPolarHBondContact O-CB 3.44Å; A63-N89 PolarHBondContact O-ND2 3Å; L65-N89 PolarHBondContact N-O 3.47Å; R86-N89 HydrophobicContact CB-CB 4.29Å; R86-N89 VanDerWaalsContact CD-OD1 3.27Å; R86-N89 WeakPolarHBondContact CD-OD1 3.44Å; R86-N89 PolarHBondContact O-N 2.92Å; P87-N89 PolarHBondContact O-N 3.49Å; N89-V119 HydrophobicContact CB-CG1 4.2Å; N89-E123 VanDerWaalsContact ND2-CD 3.26Å; N89-E123 PolarHBondContact ND2-OE1 2.73Å; N89-E123 PolarHBondContact OD1-OE1 3.19Å
90F97.8Very high94.2Very high16 Ų1652.1 Ų52.17%0.0729%0.294CS..EExtended strand (participates in β ladder)trans-90.2109.2168.8-68-102.4000108.3L65 M73 V76 R77 F85 R86 P87 D88 F92L65-F90 HydrophobicContact CB-CD1 4.1Å; L65-F90 HydrophobicContact CB-CE1 4.37Å; L65-F90 HydrophobicContact CD1-CE1 4.45Å; L65-F90 HydrophobicContact CD1-CE2 4.48Å; L65-F90 HydrophobicContact CD1-CZ 4.33Å; L65-F90 HydrophobicContact CD2-CD1 4.38Å; L65-F90 HydrophobicContact CD2-CE1 3.82Å; L65-F90 HydrophobicContact CD2-CZ 4.21Å; L65-F90 HydrophobicContact CG-CE1 4.45Å; L65-F90 WeakPolarHBondContact O-CA 3.48Å; M73-F90 HydrophobicContact CB-CD1 4.29Å; M73-F90 HydrophobicContact SD-CB 4.48Å; M73-F90 HydrophobicContact SD-CD1 3.77Å; V76-F90 HydrophobicContact CB-CE1 4.34Å; V76-F90 HydrophobicContact CG1-CE1 4.13Å; V76-F90 HydrophobicContact CG1-CZ 4.44Å; R77-F90 HydrophobicContact CG-CD1 4.25Å; R77-F90 HydrophobicContact CG-CE1 3.7Å; R77-F90 HydrophobicContact CG-CZ 3.87Å; F85-F90 HydrophobicContact CB-CE2 3.56Å; F85-F90 HydrophobicContact CB-CZ 3.73Å; F85-F90 HydrophobicContact CD2-CZ 4.23Å; F85-F90 HydrophobicContact CG-CZ 4.26Å; R86-F90 WeakPolarHBondContact O-CD2 3.42Å; P87-F90 WeakPolarHBondContact O-CD2 3.44Å; P87-F90 PolarHBondContact O-N 3.31Å; D88-F90 VanDerWaalsContact C-N 3.34Å; F90-F92 HydrophobicContact CB-CD1 4.4Å; F90-F92 HydrophobicContact CB-CE1 4.45Å
91V97.9Very high94.5Very high13 Ų1347.5 Ų47.58%0.07926%0.263CS..EExtended strand (participates in β ladder)trans-116.4116.6179.6-176.30000108L65 V66 D67 L112 V116 V119L65-V91 PolarHBondContact O-N 2.92Å; V66-V91 VanDerWaalsContact CA-O 3.3Å; V66-V91 WeakPolarHBondContact CA-O 3.35Å; D67-V91 PolarHBondContact N-O 2.95Å; V91-L112 HydrophobicContact CG1-CD1 3.77Å; V91-L112 HydrophobicContact CG1-CD2 4.46Å; V91-L112 HydrophobicContact CG1-CG 4.05Å; V91-V116 HydrophobicContact CB-CG2 4.06Å; V91-V116 HydrophobicContact CG1-CG2 3.59Å; V91-V119 HydrophobicContact CG2-CB 4.26Å; V91-V119 HydrophobicContact CG2-CG2 3.68Å
92F97Very high94.7Very high62 Ų6245.8 Ų45.827%0.27226%0.256SS..EExtended strand (participates in β ladder)trans-145.5148.6-176.558.6-85.2000115D67 P70 M73 F90D67-F92 CarbonylContact O-C 3.51Å; D67-F92 WeakPolarHBondContact O-CA 3.49Å; D67-F92 VanDerWaalsContact O-CB 3.25Å; D67-F92 WeakPolarHBondContact O-CB 3.45Å; P70-F92 HydrophobicContact CB-CD2 3.96Å; P70-F92 HydrophobicContact CB-CE2 4.02Å; M73-F92 HydrophobicContact CB-CD1 4.21Å; M73-F92 HydrophobicContact CG-CB 3.74Å; M73-F92 HydrophobicContact CG-CD1 3.65Å; M73-F92 HydrophobicContact CG-CE1 4.45Å; M73-F92 HydrophobicContact CG-CG 3.76Å; M73-F92 HydrophobicContact SD-CB 4.5Å; M73-F92 HydrophobicContact SD-CD1 4.45Å; F90-F92 HydrophobicContact CB-CD1 4.4Å; F90-F92 HydrophobicContact CB-CE1 4.45Å
93G94.2Very high94.9Very high14 Ų1447.6 Ų47.614%0.14426%0.262CS..  trans-82.7-173.8175.100000113.4D67 L68D67-G93 PolarHBondContact O-N 3.47Å; L68-G93 CarbonylContact O-C 3.45Å; L68-G93 WeakPolarHBondContact O-CA 3.26Å
94Q91.8Very high95Very high152 Ų15240 Ų4071%0.7123%0.229SC*.SBendtrans-109-10.7174.9-62.6-60.9-46.900113.1L68L68-Q94 PolarHBondContact O-N 2.91Å
95S89Confident95.2Very high55 Ų5540.9 Ų40.939%0.38523%0.233SC..SBendtrans-138.7130.8-169.1-65.50000110.2L68 E108L68-S95 WeakPolarHBondContact CB-O 3.21Å; L68-S95 CarbonylContact O-C 3.4Å; L68-S95 PolarHBondContact O-N 3.24Å; L68-S95 VanDerWaalsContact O-N 3.16Å; S95-E108 VanDerWaalsContact CB-OE1 3.31Å; S95-E108 WeakPolarHBondContact CB-OE1 3.4Å; S95-E108 WeakPolarHBondContact CB-OE2 3.44Å
96G89.6Confident95.2Very high13 Ų1344.4 Ų44.413%0.13425%0.247CC..  trans-76.5159.6179.400000114.8G98 K103G96-G98 PolarHBondContact O-N 3.33Å; G96-K103 PolarHBondContact O-NZ 3.34Å
97A91.8Very high95.2Very high2 Ų242.7 Ų42.72%0.01724%0.244CC..  trans-74.9-6.8172.700000114.1L68 N99 N100 K103L68-A97 HydrophobicContact CD1-CB 3.68Å; A97-N99 VanDerWaalsContact C-N 3.29Å; A97-N99 PolarHBondContact O-N 2.94Å; A97-N100 WeakPolarHBondContact O-CB 3.26Å; A97-N100 PolarHBondContact O-N 3.42Å; A97-K103 HydrophobicContact CB-CB 4.46Å
98G91.1Very high95.3Very high66 Ų6640.2 Ų40.268%0.6823%0.225SC*.THydrogen-bonded Turntrans5638.9175.700000114.4G96 N100G96-G98 PolarHBondContact O-N 3.33Å; G98-N100 PolarHBondContact O-N 3.23Å
99N92.7Very high95.3Very high74 Ų7434.2 Ų34.240%0.39619%0.193SC..THydrogen-bonded Turntrans59.619.5-174.2-65-30.4000115.8A97 T178 V180 N184A97-N99 VanDerWaalsContact C-N 3.29Å; A97-N99 PolarHBondContact O-N 2.94Å; N99-T178 HydrophobicContact CB-CG2 3.66Å; N99-T178 PolarHBondContact ND2-OG1 2.94Å; N99-V180 WeakPolarHBondContact O-CG2 3.46Å; N99-N184 PolarHBondContact O-ND2 3.15Å
100N96.5Very high95.2Very high11 Ų1135.9 Ų35.96%0.05921%0.207CC..  trans-107.5118.6179.4-176.2-17.3000110.8A97 G98 A102 K103 G104 W397 Y398A97-N100 WeakPolarHBondContact O-CB 3.26Å; A97-N100 PolarHBondContact O-N 3.42Å; G98-N100 PolarHBondContact O-N 3.23Å; N100-A102 VanDerWaalsContact C-N 3.35Å; N100-A102 PolarHBondContact O-N 3.24Å; N100-A102 WeakPolarHBondContact OD1-CB 3.32Å; N100-A102 PolarHBondContact OD1-N 3.06Å; N100-K103 HydrophobicContact CB-CB 3.91Å; N100-K103 PolarHBondContact O-N 2.85Å; N100-K103 PolarHBondContact OD1-N 3.26Å; N100-G104 PolarHBondContact O-N 3.37Å; N100-G104 VanDerWaalsContact O-N 3.1Å; N100-W397 PolarHBondContact ND2-O 2.95Å; N100-Y398 WeakPolarHBondContact OD1-CD1 3.32Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.41Å
101W98Very high95.1Very high2 Ų242.7 Ų42.71%0.00824%0.239CC..Hα-helixtrans-59-43.8176.5-179.4102.4000112K103 G104 H105 Y106 G146 T149 N184 L187 Q191 Y398 M403W101-K103 VanDerWaalsContact C-N 3.3Å; W101-K103 PolarHBondContact O-N 3.31Å; W101-G104 CarbonylContact O-C 3.49Å; W101-G104 WeakPolarHBondContact O-CA 3.32Å; W101-G104 PolarHBondContact O-N 3.01Å; W101-H105 HydrophobicContact CD2-CB 4.26Å; W101-H105 HydrophobicContact CE3-CB 3.99Å; W101-H105 HydrophobicContact CH2-CB 3.87Å; W101-H105 AromaticContact CH2-CD2 3.76Å; W101-H105 AromaticContact CH2-CE1 3.88Å; W101-H105 AromaticContact CH2-CG 3.44Å; W101-H105 VanDerWaalsContact CH2-CG 3.44Å; W101-H105 AromaticContact CH2-ND1 3.53Å; W101-H105 HydrophobicContact CZ2-CB 4.15Å; W101-H105 AromaticContact CZ2-CE1 3.96Å; W101-H105 AromaticContact CZ2-CG 3.77Å; W101-H105 AromaticContact CZ2-ND1 3.44Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.25Å; W101-H105 HydrophobicContact CZ3-CB 3.81Å; W101-H105 AromaticContact CZ3-CG 3.84Å; W101-H105 WeakPolarHBondContact O-CB 3.35Å; W101-H105 PolarHBondContact O-N 3.42Å; W101-Y106 HydrophobicContact CH2-CE2 4.46Å; W101-Y106 HydrophobicContact CZ3-CD2 4.43Å; W101-Y106 AromaticContact CZ3-CE2 3.8Å; W101-Y106 HydrophobicContact CZ3-CE2 3.8Å; W101-G146 VanDerWaalsContact CD1-CA 3.45Å; W101-G146 VanDerWaalsContact CD1-N 3.25Å; W101-G146 WeakPolarHBondContact O-CA 3.25Å; W101-T149 PolarHBondContact NE1-OG1 3.47Å; W101-N184 HydrophobicContact CB-CB 4.2Å; W101-N184 WeakPolarHBondContact CB-OD1 3.36Å; W101-N184 PolarHBondContact N-OD1 3.44Å; W101-L187 HydrophobicContact CB-CD1 4.3Å; W101-L187 HydrophobicContact CD2-CB 3.84Å; W101-L187 HydrophobicContact CD2-CD1 3.85Å; W101-L187 HydrophobicContact CD2-CG 4.46Å; W101-L187 HydrophobicContact CE3-CB 4.28Å; W101-L187 HydrophobicContact CE3-CD1 3.66Å; W101-L187 HydrophobicContact CE3-CG 4.48Å; W101-L187 HydrophobicContact CG-CB 4.1Å; W101-L187 HydrophobicContact CG-CD1 4.12Å; W101-L187 HydrophobicContact CZ2-CB 4.24Å; W101-L187 HydrophobicContact CZ3-CD1 4.29Å; W101-Q191 HydrophobicContact CZ2-CG 4.33Å; W101-Y398 HydrophobicContact CB-CE1 3.99Å; W101-M403 HydrophobicContact CE3-SD 4.12Å; W101-M403 HydrophobicContact CZ3-CE 4.32Å; W101-M403 HydrophobicContact CZ3-SD 4.03Å
102A98.1Very high95.1Very high0 Ų042.9 Ų42.90%024%0.24CC..Hα-helixtrans-63.8-37.8-178.700000111.4N100 G104 H105 Y106 Y398 E401 M403N100-A102 VanDerWaalsContact C-N 3.35Å; N100-A102 PolarHBondContact O-N 3.24Å; N100-A102 WeakPolarHBondContact OD1-CB 3.32Å; N100-A102 PolarHBondContact OD1-N 3.06Å; A102-G104 VanDerWaalsContact C-N 3.33Å; A102-G104 PolarHBondContact O-N 3.36Å; A102-H105 PolarHBondContact O-N 3.11Å; A102-H105 VanDerWaalsContact O-N 3.14Å; A102-Y106 HydrophobicContact CB-CD2 4.15Å; A102-Y106 WeakPolarHBondContact O-CB 2.83Å; A102-Y106 PolarHBondContact O-N 3.39Å; A102-Y398 HydrophobicContact CB-CD1 3.79Å; A102-Y398 HydrophobicContact CB-CG 4.23Å; A102-E401 HydrophobicContact CB-CB 3.9Å; A102-E401 HydrophobicContact CB-CG 4.31Å; A102-M403 HydrophobicContact CB-CB 4.05Å; A102-M403 HydrophobicContact CB-SD 4Å
103K97.4Very high95.1Very high46 Ų4640.4 Ų40.420%0.223%0.23CC..Iπ-helixtrans-64.7-39.9173.8-167.4170.7-172.8-153.50112G96 A97 N100 W101 H105 T107 E108 E401G96-K103 PolarHBondContact O-NZ 3.34Å; A97-K103 HydrophobicContact CB-CB 4.46Å; N100-K103 HydrophobicContact CB-CB 3.91Å; N100-K103 PolarHBondContact O-N 2.85Å; N100-K103 PolarHBondContact OD1-N 3.26Å; W101-K103 VanDerWaalsContact C-N 3.3Å; W101-K103 PolarHBondContact O-N 3.31Å; K103-H105 VanDerWaalsContact C-N 3.26Å; K103-H105 PolarHBondContact O-N 3.32Å; K103-T107 WeakPolarHBondContact CA-OG1 3.09Å; K103-T107 VanDerWaalsContact CG-OG1 3.3Å; K103-T107 WeakPolarHBondContact CG-OG1 3.31Å; K103-T107 PolarHBondContact O-OG1 3.44Å; K103-E108 HydrophobicContact CD-CG 4.25Å; K103-E108 WeakPolarHBondContact CE-OE1 3.45Å; K103-E108 HydrophobicContact CG-CG 3.9Å; K103-E108 IonicContact NZ-OE1 2.61Å; K103-E108 PolarHBondContact NZ-OE1 3.49Å; K103-E108 PolarHBondContact O-N 3.04Å; K103-E401 HydrophobicContact CB-CG 4.05Å
104G97.3Very high95.3Very high0 Ų045 Ų450%025%0.251CS..Iπ-helixtrans-69.1-19.7173.300000114.1N100 W101 A102 G109 G146 L147N100-G104 PolarHBondContact O-N 3.37Å; N100-G104 VanDerWaalsContact O-N 3.1Å; W101-G104 CarbonylContact O-C 3.49Å; W101-G104 WeakPolarHBondContact O-CA 3.32Å; W101-G104 PolarHBondContact O-N 3.01Å; A102-G104 VanDerWaalsContact C-N 3.33Å; A102-G104 PolarHBondContact O-N 3.36Å; G104-G109 VanDerWaalsContact O-CA 3.25Å; G104-G109 WeakPolarHBondContact O-CA 3.33Å; G104-G146 CarbonylContact O-C 3.58Å; G104-L147 WeakPolarHBondContact O-CA 3.43Å; G104-L147 WeakPolarHBondContact O-CB 3.4Å; G104-L147 PolarHBondContact O-N 3.15Å
105H98.2Very high95.6Very high25 Ų2540.7 Ų40.712%0.11624%0.238CC..Iπ-helixtrans-104.8-48.3-174.4-166.990.5000113W101 A102 K103 G146 L150W101-H105 HydrophobicContact CD2-CB 4.26Å; W101-H105 HydrophobicContact CE3-CB 3.99Å; W101-H105 HydrophobicContact CH2-CB 3.87Å; W101-H105 AromaticContact CH2-CD2 3.76Å; W101-H105 AromaticContact CH2-CE1 3.88Å; W101-H105 AromaticContact CH2-CG 3.44Å; W101-H105 VanDerWaalsContact CH2-CG 3.44Å; W101-H105 AromaticContact CH2-ND1 3.53Å; W101-H105 HydrophobicContact CZ2-CB 4.15Å; W101-H105 AromaticContact CZ2-CE1 3.96Å; W101-H105 AromaticContact CZ2-CG 3.77Å; W101-H105 AromaticContact CZ2-ND1 3.44Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.25Å; W101-H105 HydrophobicContact CZ3-CB 3.81Å; W101-H105 AromaticContact CZ3-CG 3.84Å; W101-H105 WeakPolarHBondContact O-CB 3.35Å; W101-H105 PolarHBondContact O-N 3.42Å; A102-H105 PolarHBondContact O-N 3.11Å; A102-H105 VanDerWaalsContact O-N 3.14Å; K103-H105 VanDerWaalsContact C-N 3.26Å; K103-H105 PolarHBondContact O-N 3.32Å; H105-G146 PolarHBondContact ND1-O 2.96Å; H105-L150 WeakPolarHBondContact O-CD2 3.34Å
106Y97.5Very high96Very high83 Ų8338.1 Ų38.133%0.32522%0.22SC..Iπ-helixtrans-98.2-21-170.9-69.3-64.5000114.5W101 A102 E401 M403 E407W101-Y106 HydrophobicContact CH2-CE2 4.46Å; W101-Y106 HydrophobicContact CZ3-CD2 4.43Å; W101-Y106 AromaticContact CZ3-CE2 3.8Å; W101-Y106 HydrophobicContact CZ3-CE2 3.8Å; A102-Y106 HydrophobicContact CB-CD2 4.15Å; A102-Y106 WeakPolarHBondContact O-CB 2.83Å; A102-Y106 PolarHBondContact O-N 3.39Å; Y106-E401 WeakPolarHBondContact CB-O 3.43Å; Y106-M403 HydrophobicContact CD2-CB 3.9Å; Y106-M403 HydrophobicContact CD2-CG 4.44Å; Y106-M403 HydrophobicContact CE2-CB 3.64Å; Y106-M403 HydrophobicContact CE2-CG 3.72Å; Y106-M403 HydrophobicContact CE2-SD 4.4Å; Y106-E407 PolarHBondContact OH-OE1 2.87Å; Y106-E407 VanDerWaalsContact OH-OE1 3.12Å; Y106-E407 PolarHBondContact OH-OE2 2.8Å
107T96.3Very high96.4Very high39 Ų3937.9 Ų37.924%0.23922%0.216CC..Iπ-helixtrans-120.4-95-174.959.60000111.8K103 G109 A110 E111 E401K103-T107 WeakPolarHBondContact CA-OG1 3.09Å; K103-T107 VanDerWaalsContact CG-OG1 3.3Å; K103-T107 WeakPolarHBondContact CG-OG1 3.31Å; K103-T107 PolarHBondContact O-OG1 3.44Å; T107-G109 VanDerWaalsContact C-N 3.29Å; T107-G109 PolarHBondContact O-N 2.92Å; T107-A110 WeakPolarHBondContact O-CB 3.41Å; T107-A110 PolarHBondContact O-N 3.48Å; T107-E111 PolarHBondContact O-N 3.22Å; T107-E111 VanDerWaalsContact O-N 3.08Å; T107-E401 HydrophobicContact CG2-CB 4.23Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.4Å; T107-E401 PolarHBondContact OG1-OE2 3.35Å
108E95.9Very high96.7Very high40 Ų4041.6 Ų41.619%0.18724%0.235CC..Hα-helixtrans-59.5-39.7-172.6-54.1-76.9-177.700112.3L68 S95 K103 E111 L112L68-E108 HydrophobicContact CD1-CB 3.92Å; L68-E108 HydrophobicContact CD2-CB 3.87Å; L68-E108 HydrophobicContact CG-CB 4.45Å; S95-E108 VanDerWaalsContact CB-OE1 3.31Å; S95-E108 WeakPolarHBondContact CB-OE1 3.4Å; S95-E108 WeakPolarHBondContact CB-OE2 3.44Å; K103-E108 HydrophobicContact CD-CG 4.25Å; K103-E108 WeakPolarHBondContact CE-OE1 3.45Å; K103-E108 HydrophobicContact CG-CG 3.9Å; K103-E108 IonicContact NZ-OE1 2.61Å; K103-E108 PolarHBondContact NZ-OE1 3.49Å; K103-E108 PolarHBondContact O-N 3.04Å; E108-E111 PolarHBondContact O-N 3.14Å; E108-L112 PolarHBondContact O-N 2.71Å
109G95.7Very high97.1Very high0 Ų039.3 Ų39.30%021%0.208CC..Hα-helixtrans-73.1-33.3177.700000113.5G104 T107 E111 L112 V113G104-G109 VanDerWaalsContact O-CA 3.25Å; G104-G109 WeakPolarHBondContact O-CA 3.33Å; T107-G109 VanDerWaalsContact C-N 3.29Å; T107-G109 PolarHBondContact O-N 2.92Å; G109-E111 VanDerWaalsContact C-N 3.26Å; G109-E111 PolarHBondContact O-N 3.34Å; G109-L112 PolarHBondContact O-N 3.19Å; G109-V113 WeakPolarHBondContact O-CB 3.41Å; G109-V113 PolarHBondContact O-N 3Å
110A96Very high97.3Very high40 Ų4035.8 Ų35.833%0.33119%0.189SC..Hα-helixtrans-65.1-32174.100000111.8T107 V113T107-A110 WeakPolarHBondContact O-CB 3.41Å; T107-A110 PolarHBondContact O-N 3.48Å; A110-V113 WeakPolarHBondContact O-CG1 3.19Å
111E96.1Very high97.4Very high159 Ų15938.8 Ų38.874%0.74320%0.199SC*.Hα-helixtrans-71.9-31.6173.7-66.7-173.7179.900112.8T107 E108 G109T107-E111 PolarHBondContact O-N 3.22Å; T107-E111 VanDerWaalsContact O-N 3.08Å; E108-E111 PolarHBondContact O-N 3.14Å; G109-E111 VanDerWaalsContact C-N 3.26Å; G109-E111 PolarHBondContact O-N 3.34Å
112L97Very high97.4Very high17 Ų1744.6 Ų44.69%0.08923%0.225CC..Hα-helixtrans-89-25.4-176.7-165.665000113.6V66 L68 V91 E108 G109 D114 S115 V116 L147V66-L112 HydrophobicContact CG1-CD2 4.12Å; L68-L112 HydrophobicContact CD2-CB 4.24Å; L68-L112 HydrophobicContact CD2-CD2 3.86Å; V91-L112 HydrophobicContact CG1-CD1 3.77Å; V91-L112 HydrophobicContact CG1-CD2 4.46Å; V91-L112 HydrophobicContact CG1-CG 4.05Å; E108-L112 PolarHBondContact O-N 2.71Å; G109-L112 PolarHBondContact O-N 3.19Å; L112-D114 PolarHBondContact O-N 3Å; L112-S115 WeakPolarHBondContact O-CB 2.87Å; L112-S115 PolarHBondContact O-N 3.36Å; L112-S115 VanDerWaalsContact O-N 3.1Å; L112-V116 HydrophobicContact CG-CG2 4.22Å; L112-V116 PolarHBondContact O-N 3.05Å; L112-L147 HydrophobicContact CD2-CD2 4.16Å
113V97.7Very high97.3Very high11 Ų1144.8 Ų44.87%0.06723%0.226CC..Hα-helixtrans-54.7-44.7-167.771.30000113.4G109 A110 S115 V116 L117 L150 L151 K154G109-V113 WeakPolarHBondContact O-CB 3.41Å; G109-V113 PolarHBondContact O-N 3Å; A110-V113 WeakPolarHBondContact O-CG1 3.19Å; V113-S115 VanDerWaalsContact C-N 3.29Å; V113-S115 PolarHBondContact O-N 2.76Å; V113-V116 WeakPolarHBondContact O-CB 3.49Å; V113-V116 PolarHBondContact O-N 3.47Å; V113-V116 VanDerWaalsContact O-N 3.07Å; V113-L117 HydrophobicContact CG2-CD1 4.11Å; V113-L117 HydrophobicContact CG2-CG 4.32Å; V113-L117 WeakPolarHBondContact O-CG 3.39Å; V113-L117 PolarHBondContact O-N 3.17Å; V113-L150 HydrophobicContact CB-CD2 3.98Å; V113-L150 HydrophobicContact CG1-CD2 4.36Å; V113-L150 HydrophobicContact CG2-CD2 4Å; V113-L150 HydrophobicContact CG2-CG 4.04Å; V113-L151 HydrophobicContact CG2-CD2 3.79Å; V113-K154 HydrophobicContact CG2-CG 4.26Å
114D97.7Very high97.3Very high109 Ų10942.9 Ų42.958%0.58322%0.219SC*.Hα-helixtrans-62.8-38-177.6-71-21.5000111.7L112 V116 L117 D118L112-D114 PolarHBondContact O-N 3Å; D114-V116 VanDerWaalsContact C-N 3.31Å; D114-V116 PolarHBondContact O-N 3.02Å; D114-L117 PolarHBondContact O-N 3.43Å; D114-D118 PolarHBondContact O-N 2.9Å
115S97.9Very high97.2Very high62 Ų6249.5 Ų49.543%0.43425%0.249SC..Hα-helixtrans-65.8-36.3176.8-63.60000111.7L112 V113 V119L112-S115 WeakPolarHBondContact O-CB 2.87Å; L112-S115 PolarHBondContact O-N 3.36Å; L112-S115 VanDerWaalsContact O-N 3.1Å; V113-S115 VanDerWaalsContact C-N 3.29Å; V113-S115 PolarHBondContact O-N 2.76Å; S115-V119 PolarHBondContact O-N 2.71Å
116V98.3Very high97.1Very high2 Ų252.2 Ų52.21%0.01227%0.265CS..Hα-helixtrans-69.7-45176-177.90000110.4I64 V66 V91 L112 V113 D114 D118 V119 M120 L151I64-V116 HydrophobicContact CG2-CG1 4.34Å; V66-V116 HydrophobicContact CB-CG2 4.5Å; V66-V116 HydrophobicContact CG1-CG2 3.68Å; V66-V116 HydrophobicContact CG2-CB 4.49Å; V66-V116 HydrophobicContact CG2-CG1 3.66Å; V66-V116 HydrophobicContact CG2-CG2 3.95Å; V91-V116 HydrophobicContact CB-CG2 4.06Å; V91-V116 HydrophobicContact CG1-CG2 3.59Å; L112-V116 HydrophobicContact CG-CG2 4.22Å; L112-V116 PolarHBondContact O-N 3.05Å; V113-V116 WeakPolarHBondContact O-CB 3.49Å; V113-V116 PolarHBondContact O-N 3.47Å; V113-V116 VanDerWaalsContact O-N 3.07Å; D114-V116 VanDerWaalsContact C-N 3.31Å; D114-V116 PolarHBondContact O-N 3.02Å; V116-D118 VanDerWaalsContact C-N 3.29Å; V116-D118 PolarHBondContact O-N 3.14Å; V116-V119 PolarHBondContact O-N 3.08Å; V116-M120 WeakPolarHBondContact O-CB 3.44Å; V116-M120 PolarHBondContact O-N 3.15Å; V116-L151 HydrophobicContact CB-CD2 3.78Å; V116-L151 HydrophobicContact CG1-CD1 4.03Å; V116-L151 HydrophobicContact CG1-CD2 3.55Å; V116-L151 HydrophobicContact CG1-CG 4.47Å; V116-L151 HydrophobicContact CG2-CD2 4.44Å
117L98.3Very high96.9Very high8 Ų849.2 Ų49.24%0.04226%0.255CS..Hα-helixtrans-61.4-37.9178.2-69.3174.1000111.7V113 D114 M120 R121 K154 I155V113-L117 HydrophobicContact CG2-CD1 4.11Å; V113-L117 HydrophobicContact CG2-CG 4.32Å; V113-L117 WeakPolarHBondContact O-CG 3.39Å; V113-L117 PolarHBondContact O-N 3.17Å; D114-L117 PolarHBondContact O-N 3.43Å; L117-M120 HydrophobicContact CD2-SD 4.5Å; L117-M120 PolarHBondContact O-N 3.07Å; L117-R121 VanDerWaalsContact O-CB 3.32Å; L117-R121 WeakPolarHBondContact O-CB 3.31Å; L117-R121 PolarHBondContact O-N 3.26Å; L117-K154 HydrophobicContact CD1-CB 3.9Å; L117-K154 HydrophobicContact CD1-CG 4.28Å; L117-K154 HydrophobicContact CD2-CB 4.03Å; L117-I155 HydrophobicContact CD2-CG1 4.14Å
118D98.2Very high96.8Very high80 Ų8053.9 Ų53.943%0.42828%0.279SS..Hα-helixtrans-63.7-41.8175.5-81.9-10.4000113.1D114 V116 R121 K122D114-D118 PolarHBondContact O-N 2.9Å; V116-D118 VanDerWaalsContact C-N 3.29Å; V116-D118 PolarHBondContact O-N 3.14Å; D118-R121 IonicContact OD1-CZ 2.79Å; D118-R121 IonicContact OD1-NH1 3.12Å; D118-R121 PolarHBondContact OD1-NH1 2.87Å; D118-K122 WeakPolarHBondContact O-CG 3.48Å; D118-K122 PolarHBondContact O-N 3.08Å
119V98.2Very high96.7Very high17 Ų1755 Ų5510%0.10329%0.291CS..Hα-helixtrans-67.2-42.3174173.50000110.5I64 N89 V91 S115 V116 R121 K122 E123I64-V119 HydrophobicContact CD1-CG1 4.18Å; I64-V119 HydrophobicContact CG1-CG1 4.08Å; I64-V119 HydrophobicContact CG2-CG1 4.03Å; N89-V119 HydrophobicContact CB-CG1 4.2Å; V91-V119 HydrophobicContact CG2-CB 4.26Å; V91-V119 HydrophobicContact CG2-CG2 3.68Å; S115-V119 PolarHBondContact O-N 2.71Å; V116-V119 PolarHBondContact O-N 3.08Å; V119-R121 VanDerWaalsContact C-N 3.33Å; V119-R121 PolarHBondContact O-N 3.41Å; V119-K122 WeakPolarHBondContact O-CB 3.37Å; V119-K122 PolarHBondContact O-N 3.19Å; V119-E123 PolarHBondContact O-N 3.25Å
120M97.9Very high96.7Very high1 Ų155.8 Ų55.81%0.00530%0.295CS..Hα-helixtrans-62.5-40.6178.6180-122.553.800112.3I7 I64 V116 L117 K122 E123 A124 F133 I155 Y159I7-M120 HydrophobicContact CD1-CG 4.4Å; I64-M120 HydrophobicContact CD1-CB 3.51Å; I64-M120 HydrophobicContact CD1-CG 4.02Å; V116-M120 WeakPolarHBondContact O-CB 3.44Å; V116-M120 PolarHBondContact O-N 3.15Å; L117-M120 HydrophobicContact CD2-SD 4.5Å; L117-M120 PolarHBondContact O-N 3.07Å; M120-K122 VanDerWaalsContact C-N 3.33Å; M120-K122 PolarHBondContact O-N 3.44Å; M120-E123 PolarHBondContact O-N 3.22Å; M120-A124 WeakPolarHBondContact O-CB 3.49Å; M120-A124 PolarHBondContact O-N 2.82Å; M120-F133 HydrophobicContact CG-CD1 4.15Å; M120-F133 HydrophobicContact CG-CE1 3.57Å; M120-F133 HydrophobicContact CG-CZ 4.42Å; M120-F133 HydrophobicContact SD-CD1 4.22Å; M120-F133 HydrophobicContact SD-CE1 3.46Å; M120-F133 WeakPolarHBondContact SD-CE1 3.44Å; M120-F133 HydrophobicContact SD-CZ 3.78Å; M120-I155 HydrophobicContact SD-CD1 4.12Å; M120-I155 HydrophobicContact SD-CG1 3.65Å; M120-I155 HydrophobicContact SD-CG2 4.25Å; M120-Y159 HydrophobicContact CE-CD2 4.21Å; M120-Y159 HydrophobicContact CE-CE2 3.31Å; M120-Y159 HydrophobicContact SD-CD2 4.47Å; M120-Y159 HydrophobicContact SD-CE2 4.07Å
121R97.9Very high96.7Very high73 Ų7354.7 Ų54.728%0.27528%0.283SS..Hα-helixtrans-62.5-43.1177.2-166.2174.8-54.5108.82.7110.7L117 D118 V119 E123 A124 E125 E158L117-R121 VanDerWaalsContact O-CB 3.32Å; L117-R121 WeakPolarHBondContact O-CB 3.31Å; L117-R121 PolarHBondContact O-N 3.26Å; D118-R121 IonicContact OD1-CZ 2.79Å; D118-R121 IonicContact OD1-NH1 3.12Å; D118-R121 PolarHBondContact OD1-NH1 2.87Å; V119-R121 VanDerWaalsContact C-N 3.33Å; V119-R121 PolarHBondContact O-N 3.41Å; R121-E123 PolarHBondContact O-N 2.91Å; R121-A124 PolarHBondContact O-N 3.36Å; R121-E125 HydrophobicContact CG-CG 4.46Å; R121-E125 WeakPolarHBondContact O-CB 3.21Å; R121-E125 VanDerWaalsContact O-CG 3.25Å; R121-E125 WeakPolarHBondContact O-CG 3.42Å; R121-E125 PolarHBondContact O-N 3Å; R121-E158 IonicContact CZ-OE1 2.81Å; R121-E158 IonicContact CZ-OE2 3.08Å; R121-E158 IonicContact NE-OE2 3.95Å; R121-E158 PolarHBondContact NE-OE2 3.01Å; R121-E158 IonicContact NH2-OE1 2.71Å; R121-E158 PolarHBondContact NH2-OE1 3.1Å; R121-E158 IonicContact NH2-OE2 3.28Å; R121-E158 PolarHBondContact NH2-OE2 2.86Å; R121-E158 VanDerWaalsContact NH2-OE2 3.08Å
122K97.5Very high96.8Very high124 Ų12447.1 Ų47.154%0.53925%0.248SC..Hα-helixtrans-60.8-44.2173.7-68.3167.8-172168.40112.1D118 V119 M120 N126D118-K122 WeakPolarHBondContact O-CG 3.48Å; D118-K122 PolarHBondContact O-N 3.08Å; V119-K122 WeakPolarHBondContact O-CB 3.37Å; V119-K122 PolarHBondContact O-N 3.19Å; M120-K122 VanDerWaalsContact C-N 3.33Å; M120-K122 PolarHBondContact O-N 3.44Å; K122-N126 WeakPolarHBondContact O-CB 3.16Å; K122-N126 PolarHBondContact O-N 3.45Å; K122-N126 VanDerWaalsContact O-N 3.14Å; K122-N126 PolarHBondContact O-ND2 3.24Å
123E97.3Very high96.8Very high4 Ų446.4 Ų46.42%0.01924%0.244CC..Hα-helixtrans-66.8-39.3178.4-71.6-60141.900111.9V5 I64 R86 N89 V119 M120 R121 N126 T127V5-E123 HydrophobicContact CG1-CB 4.12Å; V5-E123 HydrophobicContact CG2-CB 4.03Å; I64-E123 HydrophobicContact CD1-CG 4.36Å; I64-E123 HydrophobicContact CG1-CG 4.27Å; R86-E123 IonicContact CZ-OE1 3.37Å; R86-E123 IonicContact NH1-OE1 2.64Å; R86-E123 PolarHBondContact NH1-OE1 3.25Å; N89-E123 VanDerWaalsContact ND2-CD 3.26Å; N89-E123 PolarHBondContact ND2-OE1 2.73Å; N89-E123 PolarHBondContact OD1-OE1 3.19Å; V119-E123 PolarHBondContact O-N 3.25Å; M120-E123 PolarHBondContact O-N 3.22Å; R121-E123 PolarHBondContact O-N 2.91Å; E123-N126 PolarHBondContact O-N 2.88Å; E123-T127 WeakPolarHBondContact O-CG2 3.4Å
124A96.7Very high96.9Very high7 Ų745.9 Ų45.96%0.05824%0.241CC..Hα-helixtrans-65.6-44.817600000112.5M120 R121 N126 T127 L130 Y159M120-A124 WeakPolarHBondContact O-CB 3.49Å; M120-A124 PolarHBondContact O-N 2.82Å; R121-A124 PolarHBondContact O-N 3.36Å; A124-N126 PolarHBondContact O-N 2.84Å; A124-T127 WeakPolarHBondContact O-CB 3.44Å; A124-T127 PolarHBondContact O-N 3.3Å; A124-T127 VanDerWaalsContact O-N 3.14Å; A124-T127 PolarHBondContact O-OG1 3.41Å; A124-L130 HydrophobicContact CB-CD2 3.93Å; A124-Y159 HydrophobicContact CB-CE1 4.16Å
125E96Very high96.9Very high138 Ų13840.7 Ų40.765%0.64521%0.213SC*.Hα-helixtrans-65.9-26.7176.8-73.8172.9175.100112.6R121 T127R121-E125 HydrophobicContact CG-CG 4.46Å; R121-E125 WeakPolarHBondContact O-CB 3.21Å; R121-E125 VanDerWaalsContact O-CG 3.25Å; R121-E125 WeakPolarHBondContact O-CG 3.42Å; R121-E125 PolarHBondContact O-N 3Å; E125-T127 PolarHBondContact O-N 3.13Å
126N94.3Very high96.9Very high83 Ų8337.8 Ų37.844%0.44419%0.193SC..THydrogen-bonded Turntrans-82.214.2174.6-73.3-46.2000113.4R62 K122 E123 A124R62-N126 PolarHBondContact NH1-O 2.98Å; K122-N126 WeakPolarHBondContact O-CB 3.16Å; K122-N126 PolarHBondContact O-N 3.45Å; K122-N126 VanDerWaalsContact O-N 3.14Å; K122-N126 PolarHBondContact O-ND2 3.24Å; E123-N126 PolarHBondContact O-N 2.88Å; A124-N126 PolarHBondContact O-N 2.84Å
127T95.1Very high96.9Very high20 Ų2037.7 Ų37.712%0.12319%0.192CC..  trans-102.1149.817268.40000110.9E3 E123 A124 E125 L130E3-T127 HydrophobicContact CB-CG2 3.66Å; E3-T127 HydrophobicContact CG-CG2 4.36Å; E123-T127 WeakPolarHBondContact O-CG2 3.4Å; A124-T127 WeakPolarHBondContact O-CB 3.44Å; A124-T127 PolarHBondContact O-N 3.3Å; A124-T127 VanDerWaalsContact O-N 3.14Å; A124-T127 PolarHBondContact O-OG1 3.41Å; E125-T127 PolarHBondContact O-N 3.13Å; T127-L130 HydrophobicContact CG2-CD1 4.23Å; T127-L130 WeakPolarHBondContact OG1-CB 3.38Å; T127-L130 PolarHBondContact OG1-N 3.26Å
128D93.7Very high96.9Very high137 Ų13738 Ų3873%0.73320%0.195SC*.SBendtrans-79.5-38.5173.1-65.4-28.3000110.9M1 E3M1-D128 PolarHBondContact N-OD2 3.05Å; E3-D128 PolarHBondContact OE2-N 3.4Å
129S93.4Very high96.8Very high64 Ų6434.3 Ų34.345%0.44818%0.175SC..SBendtrans-15190.1173.9-155.90000110.4M1 R2 E3 Q131M1-S129 WeakPolarHBondContact O-CB 3.31Å; M1-S129 PolarHBondContact O-N 3.35Å; R2-S129 CarbonylContact C-O 3.54Å; R2-S129 VanDerWaalsContact CA-O 3.25Å; R2-S129 WeakPolarHBondContact CA-O 3.37Å; E3-S129 PolarHBondContact N-O 3.07Å; E3-S129 WeakPolarHBondContact OE2-CA 3.46Å; E3-S129 PolarHBondContact OE2-N 3.49Å; E3-S129 VanDerWaalsContact OE2-O 3.1Å; S129-Q131 PolarHBondContact O-N 2.94Å
130L96.5Very high96.5Very high15 Ų1533.5 Ų33.58%0.07917%0.17CC..EExtended strand (participates in β ladder)trans-56.7121.9172.4-176.166000111.3V5 A124 T127 G132 F133 Y159 R162V5-L130 HydrophobicContact CG2-CD1 3.93Å; A124-L130 HydrophobicContact CB-CD2 3.93Å; T127-L130 HydrophobicContact CG2-CD1 4.23Å; T127-L130 WeakPolarHBondContact OG1-CB 3.38Å; T127-L130 PolarHBondContact OG1-N 3.26Å; L130-G132 WeakPolarHBondContact CD1-O 3.14Å; L130-F133 HydrophobicContact CD2-CE1 4.33Å; L130-F133 HydrophobicContact CD2-CE2 3.91Å; L130-F133 HydrophobicContact CD2-CZ 3.63Å; L130-Y159 HydrophobicContact CD2-CD1 4.04Å; L130-Y159 HydrophobicContact CD2-CE1 4.13Å; L130-R162 HydrophobicContact CD2-CG 4.16Å; L130-R162 WeakPolarHBondContact O-CD 3.29Å; L130-R162 PolarHBondContact O-NE 3.32Å
131Q95.2Very high96.3Very high17 Ų1734.3 Ų34.38%0.07918%0.179CC..EExtended strand (participates in β ladder)trans-80.4-40.3169.6-57.4-171.85300112.1R2 E3 I4 S129 I163 L250R2-Q131 VanDerWaalsContact C-NE2 3.32Å; R2-Q131 VanDerWaalsContact CB-CD 3.49Å; R2-Q131 HydrophobicContact CB-CG 3.43Å; R2-Q131 VanDerWaalsContact CB-CG 3.43Å; R2-Q131 VanDerWaalsContact CB-NE2 3.32Å; R2-Q131 HydrophobicContact CG-CG 4.14Å; R2-Q131 PolarHBondContact O-NE2 2.72Å; E3-Q131 PolarHBondContact O-N 2.62Å; I4-Q131 HydrophobicContact CG1-CB 4.35Å; S129-Q131 PolarHBondContact O-N 2.94Å; Q131-I163 PolarHBondContact O-N 2.98Å; Q131-I163 VanDerWaalsContact O-N 3.08Å; Q131-L250 HydrophobicContact CB-CD1 4.46Å
132G97.4Very high96.1Very high0 Ų031 Ų310%017%0.167CC..EExtended strand (participates in β ladder)trans167-177.2-162.500000114.1V5 L130 I163V5-G132 PolarHBondContact N-O 3.22Å; L130-G132 WeakPolarHBondContact CD1-O 3.14Å; G132-I163 CarbonylContact C-O 3.46Å; G132-I163 WeakPolarHBondContact CA-O 3.49Å
133F98.4Very high96Very high2 Ų225.6 Ų25.61%0.00915%0.145CC..EExtended strand (participates in β ladder)trans-116.9143.8-178.6-58.2-88.1000109.1V5 I7 M120 L130 I155 Y159 R162 I163 M164 N165V5-F133 HydrophobicContact CB-CD1 3.8Å; V5-F133 HydrophobicContact CB-CE1 4.06Å; V5-F133 HydrophobicContact CG1-CD1 4.19Å; V5-F133 HydrophobicContact CG1-CE1 4.42Å; V5-F133 HydrophobicContact CG2-CE1 4.4Å; V5-F133 WeakPolarHBondContact O-CA 3.5Å; I7-F133 HydrophobicContact CD1-CD1 4.16Å; M120-F133 HydrophobicContact CG-CD1 4.15Å; M120-F133 HydrophobicContact CG-CE1 3.57Å; M120-F133 HydrophobicContact CG-CZ 4.42Å; M120-F133 HydrophobicContact SD-CD1 4.22Å; M120-F133 HydrophobicContact SD-CE1 3.46Å; M120-F133 WeakPolarHBondContact SD-CE1 3.44Å; M120-F133 HydrophobicContact SD-CZ 3.78Å; L130-F133 HydrophobicContact CD2-CE1 4.33Å; L130-F133 HydrophobicContact CD2-CE2 3.91Å; L130-F133 HydrophobicContact CD2-CZ 3.63Å; F133-I155 HydrophobicContact CD1-CG2 4.22Å; F133-I155 HydrophobicContact CD2-CG2 3.34Å; F133-I155 HydrophobicContact CE1-CG2 4.28Å; F133-I155 HydrophobicContact CE2-CG2 3.39Å; F133-I155 HydrophobicContact CG-CG2 3.77Å; F133-I155 HydrophobicContact CZ-CG2 3.87Å; F133-Y159 HydrophobicContact CE2-CD1 4.26Å; F133-Y159 AromaticContact CE2-CD2 3.91Å; F133-Y159 HydrophobicContact CE2-CD2 3.91Å; F133-Y159 AromaticContact CE2-CG 3.7Å; F133-Y159 HydrophobicContact CE2-CG 3.7Å; F133-Y159 HydrophobicContact CZ-CD1 4.16Å; F133-Y159 AromaticContact CZ-CD2 3.72Å; F133-Y159 HydrophobicContact CZ-CD2 3.72Å; F133-Y159 HydrophobicContact CZ-CE1 4.39Å; F133-Y159 HydrophobicContact CZ-CE2 4.03Å; F133-Y159 AromaticContact CZ-CG 3.82Å; F133-Y159 HydrophobicContact CZ-CG 3.82Å; F133-R162 HydrophobicContact CE2-CB 4.25Å; F133-I163 PolarHBondContact N-O 3.17Å; F133-M164 HydrophobicContact CB-CE 3.89Å; F133-M164 HydrophobicContact CB-SD 3.98Å; F133-M164 HydrophobicContact CD2-CE 4.29Å; F133-M164 HydrophobicContact CG-CE 4.32Å; F133-N165 PolarHBondContact O-N 3.12Å
134Q98.3Very high96Very high1 Ų125.6 Ų25.61%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-122.8107.7175.6176.8166.488.900109.4I4 V5 H6 I7 Y50 N165 F167I4-Q134 HydrophobicContact CG2-CB 3.81Å; V5-Q134 PolarHBondContact O-N 3.3Å; H6-Q134 CarbonylContact C-O 3.46Å; H6-Q134 WeakPolarHBondContact CA-O 3.29Å; H6-Q134 PolarHBondContact CD2-O 3.28Å; H6-Q134 PolarHBondContact CD2-OE1 2.82Å; I7-Q134 PolarHBondContact N-O 2.86Å; Y50-Q134 VanDerWaalsContact OH-CD 3.27Å; Y50-Q134 PolarHBondContact OH-NE2 3.17Å; Y50-Q134 PolarHBondContact OH-OE1 3.46Å; Q134-N165 CarbonylContact C-O 3.54Å; Q134-N165 VanDerWaalsContact CA-O 3.25Å; Q134-N165 WeakPolarHBondContact CA-O 3.15Å; Q134-N165 WeakPolarHBondContact CG-ND2 3.5Å; Q134-N165 PolarHBondContact NE2-ND2 2.93Å; Q134-F167 HydrophobicContact CG-CD2 4.06Å; Q134-F167 HydrophobicContact CG-CE2 4.01Å
135L98.6Very high96Very high0 Ų025.3 Ų25.30%014%0.143CC..EExtended strand (participates in β ladder)trans-104.2131.7-177-174.1147000111.3I7 V9 H137 I152 N165 T166 F167I7-L135 HydrophobicContact CB-CB 4.44Å; I7-L135 HydrophobicContact CB-CD1 4.37Å; I7-L135 HydrophobicContact CB-CG 4.38Å; I7-L135 HydrophobicContact CG2-CD1 4.26Å; I7-L135 CarbonylContact O-C 3.57Å; I7-L135 VanDerWaalsContact O-CA 3.31Å; I7-L135 WeakPolarHBondContact O-CA 3.23Å; V9-L135 HydrophobicContact CG2-CD1 3.95Å; V9-L135 HydrophobicContact CG2-CG 4.17Å; L135-H137 HydrophobicContact CD2-CB 3.55Å; L135-I152 HydrophobicContact CD1-CD1 4.38Å; L135-I152 HydrophobicContact CD1-CG1 3.87Å; L135-I152 HydrophobicContact CD2-CD1 4.21Å; L135-N165 PolarHBondContact N-O 3.39Å; L135-T166 HydrophobicContact CB-CG2 4.34Å; L135-T166 CarbonylContact O-C 3.1Å; L135-T166 VanDerWaalsContact O-CA 3.24Å; L135-T166 WeakPolarHBondContact O-CA 3.48Å; L135-F167 PolarHBondContact O-N 3.19Å
136T98.5Very high96.1Very high0 Ų018.7 Ų18.70%011%0.112CC..EExtended strand (participates in β ladder)trans-112.6122.4172.7-54.20000109.5H6 I7 V9 G13 I16 F167 M233H6-T136 PolarHBondContact NE2-OG1 3.25Å; I7-T136 PolarHBondContact O-N 3.22Å; V9-T136 PolarHBondContact N-O 2.77Å; G13-T136 VanDerWaalsContact CA-O 3.28Å; G13-T136 WeakPolarHBondContact CA-O 2.74Å; I16-T136 HydrophobicContact CB-CG2 3.86Å; I16-T136 HydrophobicContact CD1-CG2 4.34Å; I16-T136 HydrophobicContact CG2-CG2 3.64Å; T136-F167 WeakPolarHBondContact CA-O 3.22Å; T136-F167 HydrophobicContact CG2-CB 4.24Å; T136-M233 WeakPolarHBondContact OG1-CE 3.25Å
137H98.3Very high96.3Very high0 Ų014.8 Ų14.80%09%0.091CC..EExtended strand (participates in β ladder)trans-153.7174.3-177.173.4151.5000113.1V9 L135 L139 G144 F167 S168 V169V9-H137 HydrophobicContact CB-CB 4.35Å; L135-H137 HydrophobicContact CD2-CB 3.55Å; H137-L139 VanDerWaalsContact CE1-CD2 3.41Å; H137-L139 WeakPolarHBondContact CE1-CD2 3.2Å; H137-L139 WeakPolarHBondContact NE2-CD2 3.28Å; H137-G144 WeakPolarHBondContact CB-O 3.4Å; H137-G144 PolarHBondContact ND1-O 3.02Å; H137-F167 PolarHBondContact N-O 3.05Å; H137-F167 VanDerWaalsContact N-O 3.12Å; H137-S168 PolarHBondContact CD2-OG 3.1Å; H137-S168 PolarHBondContact NE2-OG 3.05Å; H137-V169 PolarHBondContact O-N 3.02Å
138S96.8Very high96.5Very high14 Ų1413.8 Ų13.810%0.0989%0.085CC..EExtended strand (participates in β ladder)trans-113.8133.6172.3168.40000110.2G140 G141 G144 S145S138-G140 VanDerWaalsContact C-N 3.26Å; S138-G140 PolarHBondContact OG-N 2.96Å; S138-G141 PolarHBondContact OG-N 3.42Å; S138-G144 CarbonylContact O-C 3.52Å; S138-S145 WeakPolarHBondContact O-CA 3.47Å; S138-S145 PolarHBondContact O-N 3.11Å
139L96.9Very high96.7Very high4 Ų47.3 Ų7.32%0.0215%0.05CC..SBendtrans-77.7-14176.7-49.2-176.3000112.4H137 S145 V169 V170 N184 A185 V189 L192H137-L139 VanDerWaalsContact CE1-CD2 3.41Å; H137-L139 WeakPolarHBondContact CE1-CD2 3.2Å; H137-L139 WeakPolarHBondContact NE2-CD2 3.28Å; L139-S145 WeakPolarHBondContact O-CB 3.26Å; L139-V169 PolarHBondContact N-O 3.45Å; L139-V170 HydrophobicContact CD1-CG2 4.03Å; L139-N184 CarbonylContact O-C 3.48Å; L139-N184 VanDerWaalsContact O-CB 3.24Å; L139-N184 WeakPolarHBondContact O-CB 3.2Å; L139-A185 HydrophobicContact CB-CB 4.4Å; L139-A185 WeakPolarHBondContact O-CA 3.37Å; L139-A185 PolarHBondContact O-N 3.22Å; L139-A185 VanDerWaalsContact O-N 3.15Å; L139-V189 HydrophobicContact CD1-CG2 4.3Å; L139-L192 HydrophobicContact CD1-CD1 4.15Å; L139-L192 HydrophobicContact CD2-CD1 3.64Å
140G92.9Very high96.9Very high0 Ų05 Ų50%03%0.033CC..SBendtrans-94.1-26.9-179.100000114.8S138 N184S138-G140 VanDerWaalsContact C-N 3.26Å; S138-G140 PolarHBondContact OG-N 2.96Å; G140-N184 PolarHBondContact O-ND2 3.07Å
141G91.9Very high97Very high18 Ų184.3 Ų4.319%0.1863%0.03CC..SBendtrans-91154.3-176.300000113.2S138 S145S138-G141 PolarHBondContact OG-N 3.42Å; G141-S145 WeakPolarHBondContact O-CB 3.47Å; G141-S145 PolarHBondContact O-N 3.38Å; G141-S145 PolarHBondContact O-OG 2.91Å
142G93.6Very high97.2Very high2 Ų23.5 Ų3.52%0.0213%0.026CC..Hα-helixtrans-64.6-47.9-173.400000114.3G146G142-G146 PolarHBondContact O-N 2.97Å
143T96.8Very high97.2Very high12 Ų124.2 Ų4.27%0.0743%0.03CC..Iπ-helixtrans-69.2-49.9178.6-48.60000111.9V9 L68 S145 L147 G148V9-T143 HydrophobicContact CG1-CG2 4.08Å; L68-T143 HydrophobicContact CB-CG2 4.26Å; L68-T143 HydrophobicContact CD1-CG2 4.03Å; L68-T143 HydrophobicContact CG-CG2 3.8Å; T143-S145 VanDerWaalsContact C-N 3.3Å; T143-S145 PolarHBondContact O-N 3.11Å; T143-L147 HydrophobicContact CG2-CB 4.36Å; T143-L147 HydrophobicContact CG2-CD2 4.04Å; T143-L147 WeakPolarHBondContact O-CB 3.47Å; T143-L147 PolarHBondContact O-N 3.12Å; T143-L147 VanDerWaalsContact O-N 3.16Å; T143-G148 PolarHBondContact O-N 3.35Å; T143-G148 VanDerWaalsContact O-N 3.07Å
144G96.6Very high97.2Very high4 Ų47.3 Ų7.34%0.0414%0.044CC..Iπ-helixtrans-61.9-39.7-177.900000112.3H137 S138 G148H137-G144 WeakPolarHBondContact CB-O 3.4Å; H137-G144 PolarHBondContact ND1-O 3.02Å; S138-G144 CarbonylContact O-C 3.52Å; G144-G148 VanDerWaalsContact O-CA 3.26Å; G144-G148 WeakPolarHBondContact O-CA 3.37Å; G144-G148 PolarHBondContact O-N 2.8Å
145S97.3Very high97.2Very high0 Ų07.4 Ų7.40%04%0.044CC..Iπ-helixtrans-80-65.8-178.272.10000110.1S138 L139 G141 T143 T149 S188S138-S145 WeakPolarHBondContact O-CA 3.47Å; S138-S145 PolarHBondContact O-N 3.11Å; L139-S145 WeakPolarHBondContact O-CB 3.26Å; G141-S145 WeakPolarHBondContact O-CB 3.47Å; G141-S145 PolarHBondContact O-N 3.38Å; G141-S145 PolarHBondContact O-OG 2.91Å; T143-S145 VanDerWaalsContact C-N 3.3Å; T143-S145 PolarHBondContact O-N 3.11Å; S145-T149 WeakPolarHBondContact O-CB 3.45Å; S145-T149 WeakPolarHBondContact O-CG2 3.3Å; S145-T149 PolarHBondContact O-N 3.31Å; S145-T149 PolarHBondContact O-OG1 3.34Å; S145-S188 WeakPolarHBondContact CB-OG 3.39Å
146G97.9Very high97.2Very high0 Ų09.3 Ų9.30%05%0.052CC..Iπ-helixtrans-62.1-61.1-175.200000114.1W101 G104 H105 G142 T149 L150W101-G146 VanDerWaalsContact CD1-CA 3.45Å; W101-G146 VanDerWaalsContact CD1-N 3.25Å; W101-G146 WeakPolarHBondContact O-CA 3.25Å; G104-G146 CarbonylContact O-C 3.58Å; H105-G146 PolarHBondContact ND1-O 2.96Å; G142-G146 PolarHBondContact O-N 2.97Å; G146-T149 PolarHBondContact O-OG1 2.9Å; G146-L150 WeakPolarHBondContact O-CB 3.42Å; G146-L150 PolarHBondContact O-N 2.9Å
147L98.3Very high97.1Very high0 Ų015.1 Ų15.10%08%0.079CC..Iπ-helixtrans-69.6-38.1-179.5172.661000110.6V9 V66 L68 G104 L112 T143 T149 L150 L151V9-L147 HydrophobicContact CG1-CB 4.48Å; V9-L147 HydrophobicContact CG1-CD2 4.39Å; V9-L147 HydrophobicContact CG1-CG 4.24Å; V66-L147 HydrophobicContact CG1-CD2 3.7Å; L68-L147 HydrophobicContact CD2-CD2 4.08Å; L68-L147 HydrophobicContact CG-CD2 4.12Å; G104-L147 WeakPolarHBondContact O-CA 3.43Å; G104-L147 WeakPolarHBondContact O-CB 3.4Å; G104-L147 PolarHBondContact O-N 3.15Å; L112-L147 HydrophobicContact CD2-CD2 4.16Å; T143-L147 HydrophobicContact CG2-CB 4.36Å; T143-L147 HydrophobicContact CG2-CD2 4.04Å; T143-L147 WeakPolarHBondContact O-CB 3.47Å; T143-L147 PolarHBondContact O-N 3.12Å; T143-L147 VanDerWaalsContact O-N 3.16Å; L147-T149 PolarHBondContact O-N 3.32Å; L147-L150 HydrophobicContact CD1-CD2 4.4Å; L147-L150 PolarHBondContact O-N 3.07Å; L147-L151 HydrophobicContact CD1-CD1 4.07Å; L147-L151 HydrophobicContact CD1-CG 3.95Å; L147-L151 HydrophobicContact CG-CD1 4.01Å; L147-L151 HydrophobicContact CG-CG 4.37Å; L147-L151 WeakPolarHBondContact O-CB 3.4Å; L147-L151 VanDerWaalsContact O-CG 3.29Å; L147-L151 WeakPolarHBondContact O-CG 3.25Å; L147-L151 PolarHBondContact O-N 2.9Å
148G98.4Very high97.1Very high0 Ų018.8 Ų18.80%010%0.096CC..Hα-helixtrans-60.4-46.1177.700000112.3T143 G144 L151 I152T143-G148 PolarHBondContact O-N 3.35Å; T143-G148 VanDerWaalsContact O-N 3.07Å; G144-G148 VanDerWaalsContact O-CA 3.26Å; G144-G148 WeakPolarHBondContact O-CA 3.37Å; G144-G148 PolarHBondContact O-N 2.8Å; G148-L151 PolarHBondContact O-N 3.36Å; G148-I152 VanDerWaalsContact O-CG1 3.32Å; G148-I152 WeakPolarHBondContact O-CG1 3.26Å; G148-I152 PolarHBondContact O-N 3.47Å
149T98.4Very high97.1Very high0 Ų020.2 Ų20.20%010%0.099CC..Hα-helixtrans-74-31.7176.959.60000113.3W101 S145 G146 L147 L151 I152 S153 Q191W101-T149 PolarHBondContact NE1-OG1 3.47Å; S145-T149 WeakPolarHBondContact O-CB 3.45Å; S145-T149 WeakPolarHBondContact O-CG2 3.3Å; S145-T149 PolarHBondContact O-N 3.31Å; S145-T149 PolarHBondContact O-OG1 3.34Å; G146-T149 PolarHBondContact O-OG1 2.9Å; L147-T149 PolarHBondContact O-N 3.32Å; T149-L151 VanDerWaalsContact C-N 3.32Å; T149-L151 PolarHBondContact O-N 2.94Å; T149-I152 PolarHBondContact O-N 3.48Å; T149-S153 PolarHBondContact O-N 2.94Å; T149-S153 PolarHBondContact O-OG 2.96Å; T149-S153 VanDerWaalsContact O-OG 3.06Å; T149-Q191 HydrophobicContact CG2-CB 3.93Å
150L98.4Very high97.1Very high17 Ų1723.6 Ų23.69%0.08912%0.122CC..Hα-helixtrans-58-46.8170.2178.162000111.3H105 V113 G146 L147 I152 S153 K154H105-L150 WeakPolarHBondContact O-CD2 3.34Å; V113-L150 HydrophobicContact CB-CD2 3.98Å; V113-L150 HydrophobicContact CG1-CD2 4.36Å; V113-L150 HydrophobicContact CG2-CD2 4Å; V113-L150 HydrophobicContact CG2-CG 4.04Å; G146-L150 WeakPolarHBondContact O-CB 3.42Å; G146-L150 PolarHBondContact O-N 2.9Å; L147-L150 HydrophobicContact CD1-CD2 4.4Å; L147-L150 PolarHBondContact O-N 3.07Å; L150-I152 VanDerWaalsContact C-N 3.34Å; L150-I152 PolarHBondContact O-N 3.36Å; L150-S153 PolarHBondContact O-N 3.49Å; L150-K154 HydrophobicContact CD1-CG 4.34Å; L150-K154 WeakPolarHBondContact O-CG 3.42Å; L150-K154 PolarHBondContact O-N 3.23Å
151L98.6Very high97.2Very high0 Ų029.1 Ų29.10%015%0.152CC..Hα-helixtrans-61-44176.6-73.7168.3000111.2V9 V113 V116 L147 G148 T149 S153 K154 I155V9-L151 HydrophobicContact CG1-CD1 4.49Å; V9-L151 HydrophobicContact CG2-CD1 3.88Å; V113-L151 HydrophobicContact CG2-CD2 3.79Å; V116-L151 HydrophobicContact CB-CD2 3.78Å; V116-L151 HydrophobicContact CG1-CD1 4.03Å; V116-L151 HydrophobicContact CG1-CD2 3.55Å; V116-L151 HydrophobicContact CG1-CG 4.47Å; V116-L151 HydrophobicContact CG2-CD2 4.44Å; L147-L151 HydrophobicContact CD1-CD1 4.07Å; L147-L151 HydrophobicContact CD1-CG 3.95Å; L147-L151 HydrophobicContact CG-CD1 4.01Å; L147-L151 HydrophobicContact CG-CG 4.37Å; L147-L151 WeakPolarHBondContact O-CB 3.4Å; L147-L151 VanDerWaalsContact O-CG 3.29Å; L147-L151 WeakPolarHBondContact O-CG 3.25Å; L147-L151 PolarHBondContact O-N 2.9Å; G148-L151 PolarHBondContact O-N 3.36Å; T149-L151 VanDerWaalsContact C-N 3.32Å; T149-L151 PolarHBondContact O-N 2.94Å; L151-S153 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 2.61Å; L151-K154 PolarHBondContact O-N 2.99Å; L151-I155 HydrophobicContact CB-CD1 4.44Å; L151-I155 WeakPolarHBondContact O-CB 3.37Å; L151-I155 WeakPolarHBondContact O-CD1 3.32Å; L151-I155 WeakPolarHBondContact O-CG1 3.28Å; L151-I155 PolarHBondContact O-N 2.86Å
152I98.6Very high97.5Very high0 Ų032.4 Ų32.40%016%0.158CC..Hα-helixtrans-55.2-50.2176.5-72.4169.3000110.9L135 G148 T149 L150 K154 I155 R156 M164 T166 L192 N195 T196L135-I152 HydrophobicContact CD1-CD1 4.38Å; L135-I152 HydrophobicContact CD1-CG1 3.87Å; L135-I152 HydrophobicContact CD2-CD1 4.21Å; G148-I152 VanDerWaalsContact O-CG1 3.32Å; G148-I152 WeakPolarHBondContact O-CG1 3.26Å; G148-I152 PolarHBondContact O-N 3.47Å; T149-I152 PolarHBondContact O-N 3.48Å; L150-I152 VanDerWaalsContact C-N 3.34Å; L150-I152 PolarHBondContact O-N 3.36Å; I152-K154 PolarHBondContact O-N 2.9Å; I152-I155 PolarHBondContact O-N 2.87Å; I152-R156 WeakPolarHBondContact O-CB 3.48Å; I152-R156 PolarHBondContact O-N 3.28Å; I152-M164 HydrophobicContact CG1-SD 4.25Å; I152-M164 HydrophobicContact CG2-CG 4.14Å; I152-T166 HydrophobicContact CD1-CG2 3.83Å; I152-L192 HydrophobicContact CD1-CD2 3.62Å; I152-N195 HydrophobicContact CG2-CB 3.45Å; I152-N195 VanDerWaalsContact CG2-CB 3.45Å; I152-T196 HydrophobicContact CD1-CG2 4.15Å; I152-T196 HydrophobicContact CG2-CG2 3.76Å
153S98.1Very high97.7Very high14 Ų1432.6 Ų32.610%0.09816%0.159CC..Hα-helixtrans-64-42.4-178.9-490000111.4T149 L150 L151 R156 E157 Q191 N195T149-S153 PolarHBondContact O-N 2.94Å; T149-S153 PolarHBondContact O-OG 2.96Å; T149-S153 VanDerWaalsContact O-OG 3.06Å; L150-S153 PolarHBondContact O-N 3.49Å; L151-S153 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 2.61Å; S153-R156 WeakPolarHBondContact O-CB 3.41Å; S153-R156 PolarHBondContact O-N 2.88Å; S153-E157 WeakPolarHBondContact O-CG 3.43Å; S153-E157 PolarHBondContact O-N 2.86Å; S153-Q191 PolarHBondContact OG-OE1 2.88Å; S153-N195 PolarHBondContact OG-ND2 2.84Å
154K98.3Very high97.7Very high67 Ų6732.1 Ų32.129%0.29116%0.156SC..Hα-helixtrans-66.6-37.8176.3-68.3-58.1177.1-155.40114.1V113 L117 L150 L151 I152 R156 E157 E158V113-K154 HydrophobicContact CG2-CG 4.26Å; L117-K154 HydrophobicContact CD1-CB 3.9Å; L117-K154 HydrophobicContact CD1-CG 4.28Å; L117-K154 HydrophobicContact CD2-CB 4.03Å; L150-K154 HydrophobicContact CD1-CG 4.34Å; L150-K154 WeakPolarHBondContact O-CG 3.42Å; L150-K154 PolarHBondContact O-N 3.23Å; L151-K154 PolarHBondContact O-N 2.99Å; I152-K154 PolarHBondContact O-N 2.9Å; K154-R156 VanDerWaalsContact C-N 3.33Å; K154-E157 WeakPolarHBondContact CD-OE2 3.44Å; K154-E157 VanDerWaalsContact NZ-CD 3.31Å; K154-E157 IonicContact NZ-OE1 2.95Å; K154-E157 PolarHBondContact NZ-OE1 2.8Å; K154-E157 IonicContact NZ-OE2 2.82Å; K154-E157 PolarHBondContact NZ-OE2 2.72Å; K154-E157 WeakPolarHBondContact O-CB 3.14Å; K154-E157 PolarHBondContact O-N 3.11Å; K154-E158 PolarHBondContact O-N 3.17Å
155I98.2Very high97.8Very high3 Ų331.9 Ų31.92%0.01515%0.154CC..Hα-helixtrans-67.8-38.4175-64.7165.7000110.3I7 L117 M120 F133 L151 I152 E157 E158 Y159 M164I7-I155 HydrophobicContact CD1-CD1 3.42Å; I7-I155 VanDerWaalsContact CD1-CD1 3.42Å; L117-I155 HydrophobicContact CD2-CG1 4.14Å; M120-I155 HydrophobicContact SD-CD1 4.12Å; M120-I155 HydrophobicContact SD-CG1 3.65Å; M120-I155 HydrophobicContact SD-CG2 4.25Å; F133-I155 HydrophobicContact CD1-CG2 4.22Å; F133-I155 HydrophobicContact CD2-CG2 3.34Å; F133-I155 HydrophobicContact CE1-CG2 4.28Å; F133-I155 HydrophobicContact CE2-CG2 3.39Å; F133-I155 HydrophobicContact CG-CG2 3.77Å; F133-I155 HydrophobicContact CZ-CG2 3.87Å; L151-I155 HydrophobicContact CB-CD1 4.44Å; L151-I155 WeakPolarHBondContact O-CB 3.37Å; L151-I155 WeakPolarHBondContact O-CD1 3.32Å; L151-I155 WeakPolarHBondContact O-CG1 3.28Å; L151-I155 PolarHBondContact O-N 2.86Å; I152-I155 PolarHBondContact O-N 2.87Å; I155-E157 VanDerWaalsContact C-N 3.33Å; I155-E157 PolarHBondContact O-N 3.22Å; I155-E158 PolarHBondContact O-N 3.33Å; I155-Y159 HydrophobicContact CG2-CD2 4.31Å; I155-Y159 WeakPolarHBondContact O-CA 3.36Å; I155-Y159 WeakPolarHBondContact O-CB 3.32Å; I155-Y159 PolarHBondContact O-N 2.79Å; I155-M164 HydrophobicContact CB-CE 3.53Å; I155-M164 HydrophobicContact CD1-CE 3.96Å; I155-M164 HydrophobicContact CG1-CE 4.35Å; I155-M164 HydrophobicContact CG2-CE 3.28Å
156R97.6Very high97.9Very high40 Ų4031.9 Ų31.915%0.15115%0.154CC..Hα-helixtrans-62.8-39.3174.6-179.959.165.2-176.57.8111.9I152 S153 K154 P160 R162 M164 N195 D197I152-R156 WeakPolarHBondContact O-CB 3.48Å; I152-R156 PolarHBondContact O-N 3.28Å; S153-R156 WeakPolarHBondContact O-CB 3.41Å; S153-R156 PolarHBondContact O-N 2.88Å; K154-R156 VanDerWaalsContact C-N 3.33Å; R156-P160 PolarHBondContact NH1-O 2.86Å; R156-P160 VanDerWaalsContact O-CA 3.26Å; R156-P160 WeakPolarHBondContact O-CA 3.46Å; R156-R162 PolarHBondContact NH1-O 3.43Å; R156-M164 VanDerWaalsContact NH2-CB 3.32Å; R156-N195 HydrophobicContact CB-CB 4.36Å; R156-N195 PolarHBondContact NE-O 3.21Å; R156-N195 PolarHBondContact NH2-O 2.97Å; R156-D197 IonicContact CZ-OD1 2.93Å; R156-D197 IonicContact CZ-OD2 3.32Å; R156-D197 IonicContact NH1-OD1 3.92Å; R156-D197 IonicContact NH1-OD2 3.94Å; R156-D197 PolarHBondContact NH1-OD2 2.81Å; R156-D197 IonicContact NH2-OD1 3.83Å; R156-D197 PolarHBondContact NH2-OD1 2.82Å; R156-D197 IonicContact NH2-OD2 3.49Å; R156-D197 PolarHBondContact NH2-OD2 2.83Å
157E97.6Very high97.9Very high122 Ų12232 Ų3257%0.5715%0.154SC*.Hα-helixtrans-62.1-45.5173.8-72.1171.4-153.600112S153 K154 I155S153-E157 WeakPolarHBondContact O-CG 3.43Å; S153-E157 PolarHBondContact O-N 2.86Å; K154-E157 WeakPolarHBondContact CD-OE2 3.44Å; K154-E157 VanDerWaalsContact NZ-CD 3.31Å; K154-E157 IonicContact NZ-OE1 2.95Å; K154-E157 PolarHBondContact NZ-OE1 2.8Å; K154-E157 IonicContact NZ-OE2 2.82Å; K154-E157 PolarHBondContact NZ-OE2 2.72Å; K154-E157 WeakPolarHBondContact O-CB 3.14Å; K154-E157 PolarHBondContact O-N 3.11Å; I155-E157 VanDerWaalsContact C-N 3.33Å; I155-E157 PolarHBondContact O-N 3.22Å
158E97.5Very high97.9Very high77 Ų7732 Ų3236%0.3615%0.154SC..Hα-helixtrans-78.5-31.8-178.4-72-165.9-15800113.7R121 K154 I155 P160R121-E158 IonicContact CZ-OE1 2.81Å; R121-E158 IonicContact CZ-OE2 3.08Å; R121-E158 IonicContact NE-OE2 3.95Å; R121-E158 PolarHBondContact NE-OE2 3.01Å; R121-E158 IonicContact NH2-OE1 2.71Å; R121-E158 PolarHBondContact NH2-OE1 3.1Å; R121-E158 IonicContact NH2-OE2 3.28Å; R121-E158 PolarHBondContact NH2-OE2 2.86Å; R121-E158 VanDerWaalsContact NH2-OE2 3.08Å; K154-E158 PolarHBondContact O-N 3.17Å; I155-E158 PolarHBondContact O-N 3.33Å; E158-P160 VanDerWaalsContact C-CD 3.47Å
159Y97.6Very high97.8Very high44 Ų4432 Ų3217%0.17315%0.154CC..  trans-130.459.7-174.5-60.1-92.8000112.1M120 A124 L130 F133 I155 D161 R162M120-Y159 HydrophobicContact CE-CD2 4.21Å; M120-Y159 HydrophobicContact CE-CE2 3.31Å; M120-Y159 HydrophobicContact SD-CD2 4.47Å; M120-Y159 HydrophobicContact SD-CE2 4.07Å; A124-Y159 HydrophobicContact CB-CE1 4.16Å; L130-Y159 HydrophobicContact CD2-CD1 4.04Å; L130-Y159 HydrophobicContact CD2-CE1 4.13Å; F133-Y159 HydrophobicContact CE2-CD1 4.26Å; F133-Y159 AromaticContact CE2-CD2 3.91Å; F133-Y159 HydrophobicContact CE2-CD2 3.91Å; F133-Y159 AromaticContact CE2-CG 3.7Å; F133-Y159 HydrophobicContact CE2-CG 3.7Å; F133-Y159 HydrophobicContact CZ-CD1 4.16Å; F133-Y159 AromaticContact CZ-CD2 3.72Å; F133-Y159 HydrophobicContact CZ-CD2 3.72Å; F133-Y159 HydrophobicContact CZ-CE1 4.39Å; F133-Y159 HydrophobicContact CZ-CE2 4.03Å; F133-Y159 AromaticContact CZ-CG 3.82Å; F133-Y159 HydrophobicContact CZ-CG 3.82Å; I155-Y159 HydrophobicContact CG2-CD2 4.31Å; I155-Y159 WeakPolarHBondContact O-CA 3.36Å; I155-Y159 WeakPolarHBondContact O-CB 3.32Å; I155-Y159 PolarHBondContact O-N 2.79Å; Y159-D161 PolarHBondContact O-N 3.06Å; Y159-D161 VanDerWaalsContact O-N 3.16Å; Y159-R162 HydrophobicContact CD1-CG 4.25Å; Y159-R162 PolarHBondContact O-N 3.48Å
160P96.8Very high97.7Very high76 Ų7632.1 Ų32.149%0.49416%0.155SC..THydrogen-bonded Turntrans-59.4-34.4-173.923.3-34.4000113R156 E158 R162R156-P160 PolarHBondContact NH1-O 2.86Å; R156-P160 VanDerWaalsContact O-CA 3.26Å; R156-P160 WeakPolarHBondContact O-CA 3.46Å; E158-P160 VanDerWaalsContact C-CD 3.47Å; P160-R162 VanDerWaalsContact C-N 3.29Å; P160-R162 PolarHBondContact O-N 2.82Å
161D95.6Very high97.2Very high116 Ų11631.8 Ų31.862%0.6215%0.153SC*.THydrogen-bonded Turntrans-83.66.7-178.6-60.8-38.9000113.9Y159 R251Y159-D161 PolarHBondContact O-N 3.06Å; Y159-D161 VanDerWaalsContact O-N 3.16Å; D161-R251 PolarHBondContact O-NH2 2.79Å
162R96.8Very high96.4Very high87 Ų8731.8 Ų31.833%0.32815%0.153SC..SBendtrans-108.4147.8-178.4-62.9-61.4178.5-80-5.2111L130 F133 R156 Y159 P160 M164L130-R162 HydrophobicContact CD2-CG 4.16Å; L130-R162 WeakPolarHBondContact O-CD 3.29Å; L130-R162 PolarHBondContact O-NE 3.32Å; F133-R162 HydrophobicContact CE2-CB 4.25Å; R156-R162 PolarHBondContact NH1-O 3.43Å; Y159-R162 HydrophobicContact CD1-CG 4.25Å; Y159-R162 PolarHBondContact O-N 3.48Å; P160-R162 VanDerWaalsContact C-N 3.29Å; P160-R162 PolarHBondContact O-N 2.82Å; R162-M164 PolarHBondContact O-N 3.14Å
163I97.6Very high95.1Very high5 Ų535.4 Ų35.43%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-71.8129.4-179.6-62.8-64000109.5Q131 G132 F133 N165 D197 E198 L250 R251 A254Q131-I163 PolarHBondContact O-N 2.98Å; Q131-I163 VanDerWaalsContact O-N 3.08Å; G132-I163 CarbonylContact C-O 3.46Å; G132-I163 WeakPolarHBondContact CA-O 3.49Å; F133-I163 PolarHBondContact N-O 3.17Å; I163-N165 HydrophobicContact CG2-CB 4.45Å; I163-D197 VanDerWaalsContact CA-OD2 3.26Å; I163-D197 WeakPolarHBondContact CA-OD2 3.26Å; I163-D197 HydrophobicContact CD1-CB 4.14Å; I163-D197 HydrophobicContact CG2-CB 4.16Å; I163-E198 HydrophobicContact CG2-CG 4.49Å; I163-L250 HydrophobicContact CB-CB 3.94Å; I163-L250 HydrophobicContact CB-CD1 4.33Å; I163-L250 HydrophobicContact CG1-CB 4.1Å; I163-L250 HydrophobicContact CG2-CB 3.79Å; I163-L250 HydrophobicContact CG2-CD1 4.21Å; I163-R251 HydrophobicContact CD1-CB 4.24Å; I163-R251 HydrophobicContact CD1-CG 4.44Å; I163-R251 HydrophobicContact CG1-CB 4.04Å; I163-A254 HydrophobicContact CD1-CB 4.35Å
164M98.4Very high93.9Very high2 Ų242.2 Ų42.21%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-104.2104.2168.7179.759.968.800108.9F133 I152 I155 R156 R162 T166 T196 D197 E198F133-M164 HydrophobicContact CB-CE 3.89Å; F133-M164 HydrophobicContact CB-SD 3.98Å; F133-M164 HydrophobicContact CD2-CE 4.29Å; F133-M164 HydrophobicContact CG-CE 4.32Å; I152-M164 HydrophobicContact CG1-SD 4.25Å; I152-M164 HydrophobicContact CG2-CG 4.14Å; I155-M164 HydrophobicContact CB-CE 3.53Å; I155-M164 HydrophobicContact CD1-CE 3.96Å; I155-M164 HydrophobicContact CG1-CE 4.35Å; I155-M164 HydrophobicContact CG2-CE 3.28Å; R156-M164 VanDerWaalsContact NH2-CB 3.32Å; R162-M164 PolarHBondContact O-N 3.14Å; M164-T166 HydrophobicContact CG-CG2 4.45Å; M164-T196 HydrophobicContact CG-CG2 3.8Å; M164-D197 PolarHBondContact N-OD2 2.92Å; M164-D197 PolarHBondContact O-N 2.97Å; M164-E198 PolarHBondContact O-N 3.44Å
165N97.9Very high92.8Very high0 Ų040.8 Ų40.80%020%0.202CC..EExtended strand (participates in β ladder)trans-103.6137.3176.916969.7000110.5F133 Q134 L135 I163 E198 F200 L250F133-N165 PolarHBondContact O-N 3.12Å; Q134-N165 CarbonylContact C-O 3.54Å; Q134-N165 VanDerWaalsContact CA-O 3.25Å; Q134-N165 WeakPolarHBondContact CA-O 3.15Å; Q134-N165 WeakPolarHBondContact CG-ND2 3.5Å; Q134-N165 PolarHBondContact NE2-ND2 2.93Å; L135-N165 PolarHBondContact N-O 3.39Å; I163-N165 HydrophobicContact CG2-CB 4.45Å; N165-E198 CarbonylContact C-O 3.46Å; N165-E198 WeakPolarHBondContact CA-O 3.37Å; N165-E198 HydrophobicContact CB-CB 4.12Å; N165-E198 WeakPolarHBondContact OD1-CB 3.27Å; N165-E198 PolarHBondContact OD1-O 3.03Å; N165-E198 PolarHBondContact OD1-OE2 2.73Å; N165-F200 WeakPolarHBondContact OD1-CD2 3.42Å; N165-F200 WeakPolarHBondContact OD1-CE2 3.05Å; N165-L250 HydrophobicContact CB-CD2 4.45Å
166T98.6Very high91.8Very high0 Ų041.8 Ų41.80%021%0.209CC..EExtended strand (participates in β ladder)trans-128143.2179.870.10000113.1L135 I152 M164 S168 L192 T196 E198 T199 F200L135-T166 HydrophobicContact CB-CG2 4.34Å; L135-T166 CarbonylContact O-C 3.1Å; L135-T166 VanDerWaalsContact O-CA 3.24Å; L135-T166 WeakPolarHBondContact O-CA 3.48Å; I152-T166 HydrophobicContact CD1-CG2 3.83Å; M164-T166 HydrophobicContact CG-CG2 4.45Å; T166-S168 WeakPolarHBondContact CB-OG 3.41Å; T166-S168 PolarHBondContact OG1-OG 3.33Å; T166-L192 HydrophobicContact CG2-CD2 4.09Å; T166-T196 HydrophobicContact CG2-CG2 3.64Å; T166-E198 PolarHBondContact N-O 3.24Å; T166-T199 WeakPolarHBondContact OG1-CA 3.43Å; T166-T199 WeakPolarHBondContact OG1-CG2 3.38Å; T166-T199 PolarHBondContact OG1-OG1 2.91Å; T166-T199 VanDerWaalsContact OG1-OG1 3.04Å; T166-F200 WeakPolarHBondContact O-CB 3.3Å; T166-F200 PolarHBondContact O-N 2.91Å
167F98.5Very high91Very high1 Ų147.6 Ų47.60%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-108.2104.1163-72-78000107.8Q134 L135 T136 H137 F200 I202 M233 V236Q134-F167 HydrophobicContact CG-CD2 4.06Å; Q134-F167 HydrophobicContact CG-CE2 4.01Å; L135-F167 PolarHBondContact O-N 3.19Å; T136-F167 WeakPolarHBondContact CA-O 3.22Å; T136-F167 HydrophobicContact CG2-CB 4.24Å; H137-F167 PolarHBondContact N-O 3.05Å; H137-F167 VanDerWaalsContact N-O 3.12Å; F167-F200 HydrophobicContact CD1-CB 3.44Å; F167-F200 VanDerWaalsContact CD1-CB 3.44Å; F167-F200 HydrophobicContact CD1-CD2 4.19Å; F167-F200 AromaticContact CD1-CG 3.88Å; F167-F200 HydrophobicContact CD1-CG 3.88Å; F167-F200 HydrophobicContact CE1-CB 3.69Å; F167-F200 HydrophobicContact CE1-CD1 4.11Å; F167-F200 AromaticContact CE1-CD2 3.79Å; F167-F200 HydrophobicContact CE1-CD2 3.79Å; F167-F200 HydrophobicContact CE1-CE2 4.48Å; F167-F200 AromaticContact CE1-CG 3.58Å; F167-F200 HydrophobicContact CE1-CG 3.58Å; F167-F200 HydrophobicContact CG-CB 4.31Å; F167-F200 HydrophobicContact CZ-CD2 4.07Å; F167-F200 HydrophobicContact CZ-CE2 4.45Å; F167-F200 HydrophobicContact CZ-CG 4.31Å; F167-I202 HydrophobicContact CB-CD1 3.9Å; F167-I202 HydrophobicContact CD1-CD1 3.97Å; F167-I202 HydrophobicContact CG-CD1 4.41Å; F167-M233 HydrophobicContact CD1-CG 3.69Å; F167-M233 HydrophobicContact CD2-CE 3.68Å; F167-M233 HydrophobicContact CD2-CG 3.97Å; F167-M233 HydrophobicContact CD2-SD 4.33Å; F167-M233 HydrophobicContact CE1-CB 4.34Å; F167-M233 HydrophobicContact CE1-CG 3.64Å; F167-M233 HydrophobicContact CE2-CB 4.32Å; F167-M233 HydrophobicContact CE2-CE 3.99Å; F167-M233 HydrophobicContact CE2-CG 3.87Å; F167-M233 HydrophobicContact CG-CE 4.18Å; F167-M233 HydrophobicContact CG-CG 3.86Å; F167-M233 HydrophobicContact CG-SD 4.27Å; F167-M233 HydrophobicContact CZ-CB 4.08Å; F167-M233 HydrophobicContact CZ-CG 3.74Å; F167-V236 HydrophobicContact CE1-CG2 4.44Å; F167-V236 HydrophobicContact CZ-CB 4.23Å; F167-V236 HydrophobicContact CZ-CG1 4.09Å
168S98.3Very high90.4Very high0 Ų043.5 Ų43.50%023%0.226CC..EExtended strand (participates in β ladder)trans-114107.1-161.5-64.30000109.9H137 T166 V170 F200 I202H137-S168 PolarHBondContact CD2-OG 3.1Å; H137-S168 PolarHBondContact NE2-OG 3.05Å; T166-S168 WeakPolarHBondContact CB-OG 3.41Å; T166-S168 PolarHBondContact OG1-OG 3.33Å; S168-V170 PolarHBondContact O-N 3.5Å; S168-F200 PolarHBondContact N-O 3.5Å; S168-I202 PolarHBondContact O-N 3.31Å
169V96.9Very high90.1Very high1 Ų143.6 Ų43.61%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-77.8113.1179.7-178.20000109.8I16 H137 L139 I202 N204I16-V169 HydrophobicContact CD1-CG2 3.43Å; I16-V169 VanDerWaalsContact CD1-CG2 3.43Å; H137-V169 PolarHBondContact O-N 3.02Å; L139-V169 PolarHBondContact N-O 3.45Å; V169-I202 CarbonylContact C-O 3.6Å; V169-I202 VanDerWaalsContact CA-O 3.23Å; V169-I202 WeakPolarHBondContact CA-O 3.35Å; V169-I202 HydrophobicContact CG2-CB 4.31Å; V169-I202 HydrophobicContact CG2-CG2 4.25Å; V169-N204 WeakPolarHBondContact CG1-ND2 3.26Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.32Å
170V94.8Very high89.9Confident2 Ų241.7 Ų41.71%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-85.6130.4-179.2-174.20000108.5L139 S168 C201 I202 N204 L377 I381L139-V170 HydrophobicContact CD1-CG2 4.03Å; S168-V170 PolarHBondContact O-N 3.5Å; V170-C201 HydrophobicContact CG2-CB 4.28Å; V170-I202 PolarHBondContact N-O 3.08Å; V170-N204 PolarHBondContact O-N 2.76Å; V170-L377 HydrophobicContact CG1-CD1 4.01Å; V170-L377 HydrophobicContact CG1-CD2 4.35Å; V170-L377 HydrophobicContact CG1-CG 4.29Å; V170-L377 HydrophobicContact CG2-CD2 4.02Å; V170-I381 HydrophobicContact CG1-CD1 3.98Å
171P89.6Confident89.8Confident10 Ų1039 Ų397%0.06521%0.206CC..  trans-67.6158.5179.625.8-32.9000112.7E181 A185P171-E181 HydrophobicContact CB-CB 3.82Å; P171-E181 VanDerWaalsContact CB-CD 3.46Å; P171-E181 HydrophobicContact CB-CG 4.01Å; P171-E181 VanDerWaalsContact CB-OE2 3.25Å; P171-E181 WeakPolarHBondContact CB-OE2 3.28Å; P171-E181 HydrophobicContact CG-CB 4.04Å; P171-A185 HydrophobicContact CG-CB 3.83Å
172S80.7Confident89.8Confident0 Ų034 Ų340%018%0.18CC..  trans-141.7130.2168.11720000110.4K174 V175 S176 E205S172-K174 PolarHBondContact O-N 3.44Å; S172-K174 PolarHBondContact OG-N 2.85Å; S172-V175 PolarHBondContact O-N 2.83Å; S172-S176 PolarHBondContact O-N 2.72Å; S172-S176 VanDerWaalsContact O-N 3.08Å; S172-E205 WeakPolarHBondContact OG-CB 3.5Å; S172-E205 PolarHBondContact OG-OE2 2.82Å
173P72.1Confident89.9Confident76 Ų7629.9 Ų29.949%0.49416%0.164SC..THydrogen-bonded Turntrans-61.2-14.2175.5-20.330000114.4V175 Q384P173-V175 VanDerWaalsContact C-N 3.33Å; P173-Q384 VanDerWaalsContact CG-NE2 3.33Å
174K73.5Confident89.8Confident157 Ų15729.7 Ų29.768%0.68316%0.163SC*.THydrogen-bonded Turntrans-79.7-18.1176.7-65.3-173.2-172.7164.30112.9S172 E205S172-K174 PolarHBondContact O-N 3.44Å; S172-K174 PolarHBondContact OG-N 2.85Å; K174-E205 HydrophobicContact CD-CG 4.17Å; K174-E205 WeakPolarHBondContact CD-OE1 3.19Å; K174-E205 VanDerWaalsContact CE-OE1 3.3Å; K174-E205 WeakPolarHBondContact CE-OE1 3.24Å; K174-E205 IonicContact NZ-OE1 3.27Å; K174-E205 PolarHBondContact NZ-OE1 2.92Å
175V73.5Confident89.8Confident38 Ų3829.6 Ų29.623%0.2316%0.163CC..THydrogen-bonded Turntrans-117.8-26.6-172-172.10000111.8S172 P173 N204S172-V175 PolarHBondContact O-N 2.83Å; P173-V175 VanDerWaalsContact C-N 3.33Å; V175-N204 HydrophobicContact CB-CB 4.37Å; V175-N204 HydrophobicContact CG1-CB 4.34Å; V175-N204 HydrophobicContact CG2-CB 4.41Å
176S78.7Confident89.8Confident23 Ų2329.6 Ų29.616%0.16116%0.163CC..  trans-116.7142.2-177.6-173.70000112.6S172 T178 E181S172-S176 PolarHBondContact O-N 2.72Å; S172-S176 VanDerWaalsContact O-N 3.08Å; S176-T178 PolarHBondContact OG-N 3.42Å; S176-E181 WeakPolarHBondContact CB-OE1 3.23Å; S176-E181 VanDerWaalsContact CB-OE2 3.31Å; S176-E181 WeakPolarHBondContact CB-OE2 3.34Å; S176-E181 PolarHBondContact OG-OE1 3.48Å; S176-E181 PolarHBondContact OG-OE2 3.21Å
177D79.5Confident89.8Confident163 Ų16329.8 Ų29.887%0.87216%0.164SC*.  trans-89.5-0.8174.6-66-41.6000112.8V179D177-V179 PolarHBondContact O-N 2.79Å
178T86.5Confident89.7Confident35 Ų3529.8 Ų29.822%0.21516%0.164CC..  trans-76.5113.9-175.4-60.90000110.8N99 S176 V180 E181N99-T178 HydrophobicContact CB-CG2 3.66Å; N99-T178 PolarHBondContact ND2-OG1 2.94Å; S176-T178 PolarHBondContact OG-N 3.42Å; T178-V180 VanDerWaalsContact C-N 3.34Å; T178-V180 HydrophobicContact CG2-CG2 4.08Å; T178-V180 PolarHBondContact O-N 3.38Å; T178-E181 HydrophobicContact CG2-CG 3.74Å; T178-E181 WeakPolarHBondContact O-CG 3.46Å
179V89.7Confident89.7Confident80 Ų8029.9 Ų29.949%0.48517%0.165SC..THydrogen-bonded Turntrans-72.4-22.4-172.8-61.40000114.8D177 M388 F394D177-V179 PolarHBondContact O-N 2.79Å; V179-M388 WeakPolarHBondContact O-CE 3.15Å; V179-M388 VanDerWaalsContact O-SD 3.37Å; V179-F394 HydrophobicContact CB-CE2 4.15Å; V179-F394 HydrophobicContact CB-CZ 4.42Å; V179-F394 HydrophobicContact CG2-CD2 4.19Å; V179-F394 HydrophobicContact CG2-CE1 4.18Å; V179-F394 HydrophobicContact CG2-CE2 3.72Å; V179-F394 HydrophobicContact CG2-CZ 3.71Å
180V94.8Very high89.8Confident4 Ų431.2 Ų31.22%0.02417%0.171CC..THydrogen-bonded Turntrans-97.95.8-175.3-58.80000114.3N99 T178 P182 Y183 N184 F394 W397 Y398N99-V180 WeakPolarHBondContact O-CG2 3.46Å; T178-V180 VanDerWaalsContact C-N 3.34Å; T178-V180 HydrophobicContact CG2-CG2 4.08Å; T178-V180 PolarHBondContact O-N 3.38Å; V180-P182 VanDerWaalsContact C-N 3.31Å; V180-Y183 PolarHBondContact O-N 2.95Å; V180-Y183 VanDerWaalsContact O-N 3.12Å; V180-N184 PolarHBondContact O-N 3.26Å; V180-F394 HydrophobicContact CG1-CB 3.78Å; V180-F394 HydrophobicContact CG1-CD2 4.18Å; V180-F394 HydrophobicContact CG1-CG 3.95Å; V180-W397 HydrophobicContact CG1-CE3 4.05Å; V180-W397 HydrophobicContact CG1-CZ3 4.13Å; V180-Y398 HydrophobicContact CB-CE2 4.27Å; V180-Y398 VanDerWaalsContact CB-OH 3.32Å; V180-Y398 WeakPolarHBondContact CB-OH 3.42Å; V180-Y398 HydrophobicContact CG1-CE2 4.35Å; V180-Y398 WeakPolarHBondContact CG2-OH 3.41Å; V180-Y398 PolarHBondContact O-OH 3.13Å
181E94.8Very high89.9Confident18 Ų1833 Ų338%0.08418%0.179CC..Hα-helixtrans-52.9-38.4178.5-72.1-176.9154.800114.6P171 S176 T178 Y183 N184 A185P171-E181 HydrophobicContact CB-CB 3.82Å; P171-E181 VanDerWaalsContact CB-CD 3.46Å; P171-E181 HydrophobicContact CB-CG 4.01Å; P171-E181 VanDerWaalsContact CB-OE2 3.25Å; P171-E181 WeakPolarHBondContact CB-OE2 3.28Å; P171-E181 HydrophobicContact CG-CB 4.04Å; S176-E181 WeakPolarHBondContact CB-OE1 3.23Å; S176-E181 VanDerWaalsContact CB-OE2 3.31Å; S176-E181 WeakPolarHBondContact CB-OE2 3.34Å; S176-E181 PolarHBondContact OG-OE1 3.48Å; S176-E181 PolarHBondContact OG-OE2 3.21Å; T178-E181 HydrophobicContact CG2-CG 3.74Å; T178-E181 WeakPolarHBondContact O-CG 3.46Å; E181-Y183 VanDerWaalsContact C-N 3.31Å; E181-Y183 PolarHBondContact O-N 2.77Å; E181-N184 PolarHBondContact O-N 3.32Å; E181-A185 VanDerWaalsContact O-CB 3.3Å; E181-A185 WeakPolarHBondContact O-CB 3.45Å; E181-A185 PolarHBondContact O-N 3.1Å
182P95.3Very high90.4Very high13 Ų1332.5 Ų32.58%0.08418%0.176CC..Hα-helixtrans-61.3-37.4178.7-26.537.3000113.2V180 T186 Q384 F385 M388V180-P182 VanDerWaalsContact C-N 3.31Å; P182-T186 WeakPolarHBondContact O-CB 3.33Å; P182-T186 PolarHBondContact O-N 3.16Å; P182-T186 PolarHBondContact O-OG1 3.45Å; P182-T186 VanDerWaalsContact O-OG1 3.05Å; P182-Q384 HydrophobicContact CB-CB 3.84Å; P182-Q384 HydrophobicContact CG-CB 3.72Å; P182-F385 HydrophobicContact CB-CB 4.39Å; P182-M388 HydrophobicContact CB-SD 4.05Å; P182-M388 HydrophobicContact CG-SD 3.73Å
183Y97.4Very high91.2Very high0 Ų032.8 Ų32.80%018%0.178CC..Hα-helixtrans-66.1-48.7174-70.2-24.9000111.5V180 E181 A185 T186 L187 F385 M388 F389 A393 Y398 F408V180-Y183 PolarHBondContact O-N 2.95Å; V180-Y183 VanDerWaalsContact O-N 3.12Å; E181-Y183 VanDerWaalsContact C-N 3.31Å; E181-Y183 PolarHBondContact O-N 2.77Å; Y183-A185 VanDerWaalsContact C-N 3.28Å; Y183-A185 PolarHBondContact O-N 3.03Å; Y183-T186 PolarHBondContact O-N 3.13Å; Y183-L187 WeakPolarHBondContact O-CB 3.36Å; Y183-L187 VanDerWaalsContact O-CG 3.26Å; Y183-L187 WeakPolarHBondContact O-CG 3.33Å; Y183-L187 PolarHBondContact O-N 3.05Å; Y183-F385 AromaticContact CD1-CD2 3.48Å; Y183-F385 HydrophobicContact CD1-CD2 3.48Å; Y183-F385 VanDerWaalsContact CD1-CD2 3.48Å; Y183-F385 AromaticContact CD1-CE2 3.53Å; Y183-F385 HydrophobicContact CD1-CE2 3.53Å; Y183-F385 HydrophobicContact CD1-CG 4.37Å; Y183-F385 HydrophobicContact CD1-CZ 4.44Å; Y183-F385 HydrophobicContact CE1-CD2 4.04Å; Y183-F385 HydrophobicContact CE1-CE2 4.01Å; Y183-M388 HydrophobicContact CD2-CE 4.22Å; Y183-M388 HydrophobicContact CE1-CB 3.95Å; Y183-M388 HydrophobicContact CE2-CE 3.97Å; Y183-M388 VanDerWaalsContact OH-C 3.26Å; Y183-M388 PolarHBondContact OH-O 3.04Å; Y183-F389 HydrophobicContact CE1-CB 4.05Å; Y183-F389 HydrophobicContact CE1-CD2 4.23Å; Y183-F389 VanDerWaalsContact OH-CA 3.32Å; Y183-F389 WeakPolarHBondContact OH-CA 3.46Å; Y183-F389 PolarHBondContact OH-N 2.91Å; Y183-A393 WeakPolarHBondContact CE2-O 3.26Å; Y183-A393 PolarHBondContact OH-O 3.39Å; Y183-Y398 HydrophobicContact CD2-CD2 4.22Å; Y183-Y398 AromaticContact CD2-CE2 3.64Å; Y183-Y398 HydrophobicContact CD2-CE2 3.64Å; Y183-Y398 AromaticContact CD2-CZ 3.95Å; Y183-Y398 HydrophobicContact CE2-CE2 4.46Å; Y183-Y398 HydrophobicContact CG-CE2 4.46Å; Y183-F408 HydrophobicContact CD1-CD1 4.12Å; Y183-F408 AromaticContact CD1-CE1 3.92Å; Y183-F408 HydrophobicContact CD1-CE1 3.92Å; Y183-F408 HydrophobicContact CD2-CE1 4.11Å; Y183-F408 HydrophobicContact CE1-CD1 4.42Å; Y183-F408 HydrophobicContact CE1-CE1 4.37Å; Y183-F408 HydrophobicContact CG-CD1 4.44Å; Y183-F408 AromaticContact CG-CE1 3.78Å; Y183-F408 HydrophobicContact CG-CE1 3.78Å
184N97.5Very high92.3Very high0 Ų034.2 Ų34.20%018%0.177CC..Hα-helixtrans-59-42.6179.2-64.5-14.2000111.6N99 W101 L139 G140 V180 E181 S188 Y398N99-N184 PolarHBondContact O-ND2 3.15Å; W101-N184 HydrophobicContact CB-CB 4.2Å; W101-N184 WeakPolarHBondContact CB-OD1 3.36Å; W101-N184 PolarHBondContact N-OD1 3.44Å; L139-N184 CarbonylContact O-C 3.48Å; L139-N184 VanDerWaalsContact O-CB 3.24Å; L139-N184 WeakPolarHBondContact O-CB 3.2Å; G140-N184 PolarHBondContact O-ND2 3.07Å; V180-N184 PolarHBondContact O-N 3.26Å; E181-N184 PolarHBondContact O-N 3.32Å; N184-S188 VanDerWaalsContact O-CB 3.29Å; N184-S188 WeakPolarHBondContact O-CB 3.42Å; N184-S188 PolarHBondContact O-N 3.46Å; N184-S188 PolarHBondContact O-OG 3.26Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.43Å; N184-Y398 PolarHBondContact OD1-OH 3.42Å
185A96.9Very high93.5Very high0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-67.4-46.6-179.400000111.6L139 P171 E181 Y183 L187 S188 V189 I381L139-A185 HydrophobicContact CB-CB 4.4Å; L139-A185 WeakPolarHBondContact O-CA 3.37Å; L139-A185 PolarHBondContact O-N 3.22Å; L139-A185 VanDerWaalsContact O-N 3.15Å; P171-A185 HydrophobicContact CG-CB 3.83Å; E181-A185 VanDerWaalsContact O-CB 3.3Å; E181-A185 WeakPolarHBondContact O-CB 3.45Å; E181-A185 PolarHBondContact O-N 3.1Å; Y183-A185 VanDerWaalsContact C-N 3.28Å; Y183-A185 PolarHBondContact O-N 3.03Å; A185-L187 PolarHBondContact O-N 3.01Å; A185-S188 PolarHBondContact O-N 3.02Å; A185-V189 WeakPolarHBondContact O-CB 3.43Å; A185-V189 VanDerWaalsContact O-CG2 3.28Å; A185-V189 WeakPolarHBondContact O-CG2 3.25Å; A185-V189 PolarHBondContact O-N 3.23Å; A185-I381 HydrophobicContact CB-CD1 4.27Å; A185-I381 HydrophobicContact CB-CG2 3.85Å
186T97.6Very high94.7Very high0 Ų026.6 Ų26.60%014%0.143CC..Hα-helixtrans-57.9-49.4176.4-67.70000111.7P182 Y183 S188 V189 H190 I381 F385 A411 M415P182-T186 WeakPolarHBondContact O-CB 3.33Å; P182-T186 PolarHBondContact O-N 3.16Å; P182-T186 PolarHBondContact O-OG1 3.45Å; P182-T186 VanDerWaalsContact O-OG1 3.05Å; Y183-T186 PolarHBondContact O-N 3.13Å; T186-S188 VanDerWaalsContact C-N 3.29Å; T186-S188 PolarHBondContact O-N 2.81Å; T186-V189 PolarHBondContact O-N 3.02Å; T186-H190 PolarHBondContact O-N 3.02Å; T186-I381 WeakPolarHBondContact OG1-CG2 3.3Å; T186-F385 VanDerWaalsContact CB-CD2 3.49Å; T186-F385 HydrophobicContact CG2-CD2 3.67Å; T186-F385 HydrophobicContact CG2-CE2 3.61Å; T186-F385 HydrophobicContact CG2-CG 4.28Å; T186-F385 HydrophobicContact CG2-CZ 4.21Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.32Å; T186-A411 HydrophobicContact CG2-CB 3.79Å; T186-M415 HydrophobicContact CG2-CE 3.74Å; T186-M415 VanDerWaalsContact OG1-CE 3.22Å; T186-M415 WeakPolarHBondContact OG1-CE 3.38Å
187L98.3Very high95.6Very high5 Ų527.7 Ų27.73%0.02615%0.147CC..Hα-helixtrans-64.5-36.6179.7-64.9167.5000111.8W101 Y183 A185 Q191 Y398 M403 F408 A411W101-L187 HydrophobicContact CB-CD1 4.3Å; W101-L187 HydrophobicContact CD2-CB 3.84Å; W101-L187 HydrophobicContact CD2-CD1 3.85Å; W101-L187 HydrophobicContact CD2-CG 4.46Å; W101-L187 HydrophobicContact CE3-CB 4.28Å; W101-L187 HydrophobicContact CE3-CD1 3.66Å; W101-L187 HydrophobicContact CE3-CG 4.48Å; W101-L187 HydrophobicContact CG-CB 4.1Å; W101-L187 HydrophobicContact CG-CD1 4.12Å; W101-L187 HydrophobicContact CZ2-CB 4.24Å; W101-L187 HydrophobicContact CZ3-CD1 4.29Å; Y183-L187 WeakPolarHBondContact O-CB 3.36Å; Y183-L187 VanDerWaalsContact O-CG 3.26Å; Y183-L187 WeakPolarHBondContact O-CG 3.33Å; Y183-L187 PolarHBondContact O-N 3.05Å; A185-L187 PolarHBondContact O-N 3.01Å; L187-Q191 PolarHBondContact O-N 3.09Å; L187-Y398 HydrophobicContact CD1-CD1 4.19Å; L187-Y398 HydrophobicContact CD1-CE1 4.1Å; L187-M403 HydrophobicContact CD1-CE 3.61Å; L187-M403 HydrophobicContact CD1-SD 4.05Å; L187-M403 HydrophobicContact CD2-CE 3.36Å; L187-M403 HydrophobicContact CG-CE 4.13Å; L187-F408 HydrophobicContact CD1-CE1 4.07Å; L187-F408 HydrophobicContact CD1-CZ 4.33Å; L187-A411 HydrophobicContact CD2-CB 3.83Å
188S98.4Very high96.5Very high0 Ų019.9 Ų19.90%011%0.106CC..Hα-helixtrans-70.1-45.3177.1-56.60000112.4S145 N184 A185 T186 H190 Q191 L192S145-S188 WeakPolarHBondContact CB-OG 3.39Å; N184-S188 VanDerWaalsContact O-CB 3.29Å; N184-S188 WeakPolarHBondContact O-CB 3.42Å; N184-S188 PolarHBondContact O-N 3.46Å; N184-S188 PolarHBondContact O-OG 3.26Å; A185-S188 PolarHBondContact O-N 3.02Å; T186-S188 VanDerWaalsContact C-N 3.29Å; T186-S188 PolarHBondContact O-N 2.81Å; S188-H190 VanDerWaalsContact C-N 3.26Å; S188-H190 PolarHBondContact O-N 3.1Å; S188-Q191 PolarHBondContact O-N 2.94Å; S188-Q191 VanDerWaalsContact O-N 3.1Å; S188-L192 VanDerWaalsContact O-CG 3.28Å; S188-L192 WeakPolarHBondContact O-CG 3.37Å; S188-L192 PolarHBondContact O-N 3.28Å
189V98Very high97.1Very high3 Ų318.3 Ų18.32%0.01810%0.096CC..Hα-helixtrans-58.5-43.3177.7169.50000109.8L139 A185 T186 Q191 L192 V193 F265 F378 M415 L418L139-V189 HydrophobicContact CD1-CG2 4.3Å; A185-V189 WeakPolarHBondContact O-CB 3.43Å; A185-V189 VanDerWaalsContact O-CG2 3.28Å; A185-V189 WeakPolarHBondContact O-CG2 3.25Å; A185-V189 PolarHBondContact O-N 3.23Å; T186-V189 PolarHBondContact O-N 3.02Å; V189-Q191 VanDerWaalsContact C-N 3.3Å; V189-Q191 PolarHBondContact O-N 2.71Å; V189-L192 PolarHBondContact O-N 3.17Å; V189-L192 VanDerWaalsContact O-N 3.08Å; V189-V193 HydrophobicContact CG1-CG2 4.16Å; V189-V193 VanDerWaalsContact O-CG2 3.29Å; V189-V193 WeakPolarHBondContact O-CG2 3.36Å; V189-V193 PolarHBondContact O-N 2.66Å; V189-F265 HydrophobicContact CG1-CZ 4.47Å; V189-F378 HydrophobicContact CG1-CD1 4Å; V189-F378 HydrophobicContact CG1-CE1 3.88Å; V189-F378 HydrophobicContact CG2-CD1 4.37Å; V189-F378 HydrophobicContact CG2-CE1 4.17Å; V189-M415 HydrophobicContact CG1-CG 4.43Å; V189-M415 HydrophobicContact CG1-SD 4.4Å; V189-L418 HydrophobicContact CG1-CD2 4.46Å
190H97.9Very high97.5Very high28 Ų2814.5 Ų14.513%0.137%0.073CC..Hα-helixtrans-53.2-46.4174.5172.285.6000112.2T186 S188 A411 N414T186-H190 PolarHBondContact O-N 3.02Å; S188-H190 VanDerWaalsContact C-N 3.26Å; S188-H190 PolarHBondContact O-N 3.1Å; H190-A411 HydrophobicContact CB-CB 3.68Å; H190-N414 WeakPolarHBondContact ND1-CB 3.5Å; H190-N414 PolarHBondContact ND1-ND2 3.06Å
191Q98.1Very high97.6Very high39 Ų3914.4 Ų14.418%0.1827%0.073CC..Hα-helixtrans-69.9-35.4176.4-64.5-64-37.900113.2W101 T149 S153 L187 S188 V189 N195W101-Q191 HydrophobicContact CZ2-CG 4.33Å; T149-Q191 HydrophobicContact CG2-CB 3.93Å; S153-Q191 PolarHBondContact OG-OE1 2.88Å; L187-Q191 PolarHBondContact O-N 3.09Å; S188-Q191 PolarHBondContact O-N 2.94Å; S188-Q191 VanDerWaalsContact O-N 3.1Å; V189-Q191 VanDerWaalsContact C-N 3.3Å; V189-Q191 PolarHBondContact O-N 2.71Å; Q191-N195 VanDerWaalsContact O-CB 3.31Å; Q191-N195 WeakPolarHBondContact O-CB 3.49Å; Q191-N195 PolarHBondContact O-N 3.21Å; Q191-N195 VanDerWaalsContact O-N 3.07Å; Q191-N195 PolarHBondContact O-ND2 3.12Å; Q191-N195 PolarHBondContact OE1-ND2 3.48Å
192L98.4Very high97.7Very high0 Ų013.7 Ų13.70%07%0.069CC..Hα-helixtrans-67.3-40.7179.7-70172.5000112.3L139 I152 T166 S188 V189 E194 T196 T199 H264 F265L139-L192 HydrophobicContact CD1-CD1 4.15Å; L139-L192 HydrophobicContact CD2-CD1 3.64Å; I152-L192 HydrophobicContact CD1-CD2 3.62Å; T166-L192 HydrophobicContact CG2-CD2 4.09Å; S188-L192 VanDerWaalsContact O-CG 3.28Å; S188-L192 WeakPolarHBondContact O-CG 3.37Å; S188-L192 PolarHBondContact O-N 3.28Å; V189-L192 PolarHBondContact O-N 3.17Å; V189-L192 VanDerWaalsContact O-N 3.08Å; L192-E194 VanDerWaalsContact C-N 3.27Å; L192-E194 PolarHBondContact O-N 2.8Å; L192-T196 HydrophobicContact CB-CG2 4.45Å; L192-T196 HydrophobicContact CD2-CG2 3.52Å; L192-T196 PolarHBondContact O-N 2.77Å; L192-T196 VanDerWaalsContact O-N 3.13Å; L192-T196 PolarHBondContact O-OG1 2.79Å; L192-T199 HydrophobicContact CD1-CG2 4.27Å; L192-H264 PolarHBondContact O-CE1 3.07Å; L192-H264 VanDerWaalsContact O-CE1 3.26Å; L192-H264 PolarHBondContact O-NE2 3.24Å; L192-H264 VanDerWaalsContact O-NE2 3.13Å; L192-F265 HydrophobicContact CB-CE1 4.23Å; L192-F265 HydrophobicContact CB-CZ 4.21Å
193V98.1Very high97.7Very high7 Ų713 Ų134%0.0427%0.065CC..Hα-helixtrans-54.8-46.4177.4172.30000110.5V189 R262 H264 F265 L418V189-V193 HydrophobicContact CG1-CG2 4.16Å; V189-V193 VanDerWaalsContact O-CG2 3.29Å; V189-V193 WeakPolarHBondContact O-CG2 3.36Å; V189-V193 PolarHBondContact O-N 2.66Å; V193-R262 HydrophobicContact CG1-CB 4.48Å; V193-R262 HydrophobicContact CG1-CG 4.22Å; V193-R262 VanDerWaalsContact CG1-NH1 3.3Å; V193-H264 PolarHBondContact O-NE2 2.64Å; V193-F265 HydrophobicContact CG2-CE2 3.83Å; V193-F265 HydrophobicContact CG2-CZ 3.73Å; V193-L418 HydrophobicContact CG2-CD1 4.47Å; V193-L418 HydrophobicContact CG2-CD2 3.72Å
194E96.3Very high97.4Very high105 Ų10513.8 Ų13.849%0.4917%0.069SC..Hα-helixtrans-82.8-31.3-173.7-57.2-55.3142.300113.8L192 R262 N414L192-E194 VanDerWaalsContact C-N 3.27Å; L192-E194 PolarHBondContact O-N 2.8Å; E194-R262 IonicContact OE1-NH1 3.83Å; E194-R262 PolarHBondContact OE1-NH1 2.99Å; E194-N414 PolarHBondContact OE1-ND2 3.43Å
195N98.2Very high97.2Very high28 Ų2815.2 Ų15.215%0.158%0.076CC..Hα-helixtrans-115-6-164.5-61.6-75.4000115.2I152 S153 R156 Q191I152-N195 HydrophobicContact CG2-CB 3.45Å; I152-N195 VanDerWaalsContact CG2-CB 3.45Å; S153-N195 PolarHBondContact OG-ND2 2.84Å; R156-N195 HydrophobicContact CB-CB 4.36Å; R156-N195 PolarHBondContact NE-O 3.21Å; R156-N195 PolarHBondContact NH2-O 2.97Å; Q191-N195 VanDerWaalsContact O-CB 3.31Å; Q191-N195 WeakPolarHBondContact O-CB 3.49Å; Q191-N195 PolarHBondContact O-N 3.21Å; Q191-N195 VanDerWaalsContact O-N 3.07Å; Q191-N195 PolarHBondContact O-ND2 3.12Å; Q191-N195 PolarHBondContact OE1-ND2 3.48Å
196T98.4Very high97.1Very high7 Ų715.7 Ų15.74%0.0438%0.079CC..  trans-113.6155179.768.70000112.3I152 M164 T166 L192 T199 H264I152-T196 HydrophobicContact CD1-CG2 4.15Å; I152-T196 HydrophobicContact CG2-CG2 3.76Å; M164-T196 HydrophobicContact CG-CG2 3.8Å; T166-T196 HydrophobicContact CG2-CG2 3.64Å; L192-T196 HydrophobicContact CB-CG2 4.45Å; L192-T196 HydrophobicContact CD2-CG2 3.52Å; L192-T196 PolarHBondContact O-N 2.77Å; L192-T196 VanDerWaalsContact O-N 3.13Å; L192-T196 PolarHBondContact O-OG1 2.79Å; T196-T199 PolarHBondContact OG1-OG1 2.7Å; T196-H264 PolarHBondContact O-CD2 3.38Å; T196-H264 PolarHBondContact O-NE2 3.39Å; T196-H264 VanDerWaalsContact O-NE2 3.11Å; T196-H264 PolarHBondContact OG1-CE1 3.16Å; T196-H264 PolarHBondContact OG1-NE2 3.3Å
197D98.2Very high96.9Very high46 Ų4615.7 Ų15.725%0.2468%0.08CC..SBendtrans-107.4-22.2177.4-49.5-73.8000112.3R156 I163 M164 H264R156-D197 IonicContact CZ-OD1 2.93Å; R156-D197 IonicContact CZ-OD2 3.32Å; R156-D197 IonicContact NH1-OD1 3.92Å; R156-D197 IonicContact NH1-OD2 3.94Å; R156-D197 PolarHBondContact NH1-OD2 2.81Å; R156-D197 IonicContact NH2-OD1 3.83Å; R156-D197 PolarHBondContact NH2-OD1 2.82Å; R156-D197 IonicContact NH2-OD2 3.49Å; R156-D197 PolarHBondContact NH2-OD2 2.83Å; I163-D197 VanDerWaalsContact CA-OD2 3.26Å; I163-D197 WeakPolarHBondContact CA-OD2 3.26Å; I163-D197 HydrophobicContact CD1-CB 4.14Å; I163-D197 HydrophobicContact CG2-CB 4.16Å; M164-D197 PolarHBondContact N-OD2 2.92Å; M164-D197 PolarHBondContact O-N 2.97Å; D197-H264 VanDerWaalsContact O-CB 3.22Å; D197-H264 WeakPolarHBondContact O-CB 3.42Å
198E97.9Very high96.7Very high0 Ų019.6 Ų19.60%010%0.095CC..EExtended strand (participates in β ladder)trans-145.5112.7-177.6-62.6-178.7161.600108.4I163 M164 N165 T166 F200 L253 A254 F266I163-E198 HydrophobicContact CG2-CG 4.49Å; M164-E198 PolarHBondContact O-N 3.44Å; N165-E198 CarbonylContact C-O 3.46Å; N165-E198 WeakPolarHBondContact CA-O 3.37Å; N165-E198 HydrophobicContact CB-CB 4.12Å; N165-E198 WeakPolarHBondContact OD1-CB 3.27Å; N165-E198 PolarHBondContact OD1-O 3.03Å; N165-E198 PolarHBondContact OD1-OE2 2.73Å; T166-E198 PolarHBondContact N-O 3.24Å; E198-F200 HydrophobicContact CB-CE2 4.42Å; E198-L253 WeakPolarHBondContact OE1-CB 3.46Å; E198-L253 WeakPolarHBondContact OE1-CG 3.22Å; E198-A254 HydrophobicContact CG-CB 4.09Å; E198-A254 WeakPolarHBondContact OE1-CA 3.46Å; E198-A254 WeakPolarHBondContact OE1-CB 3.42Å; E198-A254 PolarHBondContact OE1-N 2.75Å; E198-F266 HydrophobicContact CB-CE2 3.83Å; E198-F266 HydrophobicContact CG-CE2 3.96Å
199T98.4Very high96.5Very high1 Ų121.8 Ų21.81%0.00611%0.106CC..EExtended strand (participates in β ladder)trans-119.8105.6178.1-69.30000111.1T166 L192 T196 C201 H264 F265 F266T166-T199 WeakPolarHBondContact OG1-CA 3.43Å; T166-T199 WeakPolarHBondContact OG1-CG2 3.38Å; T166-T199 PolarHBondContact OG1-OG1 2.91Å; T166-T199 VanDerWaalsContact OG1-OG1 3.04Å; L192-T199 HydrophobicContact CD1-CG2 4.27Å; T196-T199 PolarHBondContact OG1-OG1 2.7Å; T199-C201 PolarHBondContact O-N 2.96Å; T199-H264 PolarHBondContact N-O 2.96Å; T199-F265 HydrophobicContact CG2-CD1 3.48Å; T199-F265 VanDerWaalsContact CG2-CD1 3.48Å; T199-F265 HydrophobicContact CG2-CE1 3.69Å; T199-F265 CarbonylContact O-C 3.36Å; T199-F265 WeakPolarHBondContact O-CA 3.36Å; T199-F266 PolarHBondContact O-N 3.2Å
200F98.3Very high96.3Very high0 Ų021.7 Ų21.70%011%0.106CC..EExtended strand (participates in β ladder)trans-80.6106173.7-69-89.1000110.2N165 T166 F167 S168 E198 I202 V236 L253 F266 P268 I368N165-F200 WeakPolarHBondContact OD1-CD2 3.42Å; N165-F200 WeakPolarHBondContact OD1-CE2 3.05Å; T166-F200 WeakPolarHBondContact O-CB 3.3Å; T166-F200 PolarHBondContact O-N 2.91Å; F167-F200 HydrophobicContact CD1-CB 3.44Å; F167-F200 VanDerWaalsContact CD1-CB 3.44Å; F167-F200 HydrophobicContact CD1-CD2 4.19Å; F167-F200 AromaticContact CD1-CG 3.88Å; F167-F200 HydrophobicContact CD1-CG 3.88Å; F167-F200 HydrophobicContact CE1-CB 3.69Å; F167-F200 HydrophobicContact CE1-CD1 4.11Å; F167-F200 AromaticContact CE1-CD2 3.79Å; F167-F200 HydrophobicContact CE1-CD2 3.79Å; F167-F200 HydrophobicContact CE1-CE2 4.48Å; F167-F200 AromaticContact CE1-CG 3.58Å; F167-F200 HydrophobicContact CE1-CG 3.58Å; F167-F200 HydrophobicContact CG-CB 4.31Å; F167-F200 HydrophobicContact CZ-CD2 4.07Å; F167-F200 HydrophobicContact CZ-CE2 4.45Å; F167-F200 HydrophobicContact CZ-CG 4.31Å; S168-F200 PolarHBondContact N-O 3.5Å; E198-F200 HydrophobicContact CB-CE2 4.42Å; F200-I202 PolarHBondContact O-N 3.1Å; F200-V236 HydrophobicContact CD1-CG2 4.27Å; F200-V236 HydrophobicContact CE1-CB 4.48Å; F200-V236 HydrophobicContact CE1-CG1 3.83Å; F200-V236 HydrophobicContact CE1-CG2 3.75Å; F200-V236 HydrophobicContact CE2-CG1 3.93Å; F200-V236 HydrophobicContact CZ-CB 4.48Å; F200-V236 HydrophobicContact CZ-CG1 3.39Å; F200-V236 HydrophobicContact CZ-CG2 4.22Å; F200-L253 HydrophobicContact CZ-CD2 4.29Å; F200-F266 HydrophobicContact CD1-CB 3.96Å; F200-F266 HydrophobicContact CD1-CD2 4.15Å; F200-F266 HydrophobicContact CD2-CD2 4.28Å; F200-F266 HydrophobicContact CE1-CB 4.15Å; F200-F266 AromaticContact CE1-CD2 3.82Å; F200-F266 HydrophobicContact CE1-CD2 3.82Å; F200-F266 HydrophobicContact CE1-CG 4.36Å; F200-F266 AromaticContact CE2-CD2 3.93Å; F200-F266 HydrophobicContact CE2-CD2 3.93Å; F200-F266 HydrophobicContact CE2-CE2 4.37Å; F200-F266 HydrophobicContact CG-CD2 4.38Å; F200-F266 AromaticContact CZ-CD2 3.69Å; F200-F266 HydrophobicContact CZ-CD2 3.69Å; F200-F266 HydrophobicContact CZ-CE2 4.2Å; F200-P268 HydrophobicContact CB-CG 4.5Å; F200-P268 HydrophobicContact CD1-CB 4.12Å; F200-P268 HydrophobicContact CD1-CG 4.38Å; F200-I368 HydrophobicContact CE1-CB 4.41Å; F200-I368 HydrophobicContact CE1-CD1 3.89Å; F200-I368 HydrophobicContact CE1-CG1 3.95Å; F200-I368 HydrophobicContact CE1-CG2 3.67Å; F200-I368 HydrophobicContact CZ-CD1 4.08Å; F200-I368 HydrophobicContact CZ-CG2 4.27Å
201C97.7Very high96.2Very high3 Ų320.4 Ų20.42%0.0210%0.1CC..EExtended strand (participates in β ladder)trans-78122179.2-64.50000111.1V170 T199 F266 P268 M374 L377V170-C201 HydrophobicContact CG2-CB 4.28Å; T199-C201 PolarHBondContact O-N 2.96Å; C201-F266 PolarHBondContact N-O 3.46Å; C201-P268 WeakPolarHBondContact O-CD 3.46Å; C201-M374 HydrophobicContact CB-CE 3.9Å; C201-M374 HydrophobicContact CB-SD 4.25Å; C201-L377 HydrophobicContact CB-CD2 4.11Å
202I96.8Very high96Very high2 Ų223.1 Ų23.11%0.0111%0.111CC..EExtended strand (participates in β ladder)trans-119.9100.2179.9-64159.4000108.4F167 S168 V169 V170 F200 L207 V229 P268F167-I202 HydrophobicContact CB-CD1 3.9Å; F167-I202 HydrophobicContact CD1-CD1 3.97Å; F167-I202 HydrophobicContact CG-CD1 4.41Å; S168-I202 PolarHBondContact O-N 3.31Å; V169-I202 CarbonylContact C-O 3.6Å; V169-I202 VanDerWaalsContact CA-O 3.23Å; V169-I202 WeakPolarHBondContact CA-O 3.35Å; V169-I202 HydrophobicContact CG2-CB 4.31Å; V169-I202 HydrophobicContact CG2-CG2 4.25Å; V170-I202 PolarHBondContact N-O 3.08Å; F200-I202 PolarHBondContact O-N 3.1Å; I202-L207 HydrophobicContact CG2-CD1 3.45Å; I202-L207 VanDerWaalsContact CG2-CD1 3.45Å; I202-L207 HydrophobicContact CG2-CD2 4.43Å; I202-L207 HydrophobicContact CG2-CG 4.1Å; I202-V229 HydrophobicContact CD1-CG1 3.6Å; I202-V229 HydrophobicContact CG2-CG2 3.64Å; I202-P268 HydrophobicContact CG1-CG 4.43Å
203D94.6Very high95.7Very high0 Ų030.9 Ų30.90%014%0.14CC..EExtended strand (participates in β ladder)trans-85.9119.4179.7-169.6-25.8000111.2E205 A206 L207 M300 A302 R380D203-E205 PolarHBondContact O-N 3.3Å; D203-E205 WeakPolarHBondContact OD1-CB 3.49Å; D203-E205 PolarHBondContact OD1-N 2.91Å; D203-A206 HydrophobicContact CB-CB 4.02Å; D203-A206 PolarHBondContact O-N 3.08Å; D203-A206 VanDerWaalsContact O-N 3.11Å; D203-L207 WeakPolarHBondContact O-CG 3.29Å; D203-L207 PolarHBondContact O-N 3.43Å; D203-M300 WeakPolarHBondContact CB-O 3.47Å; D203-M300 PolarHBondContact N-O 3.18Å; D203-A302 HydrophobicContact CB-CB 4.45Å; D203-A302 WeakPolarHBondContact OD2-CB 3.42Å; D203-A302 PolarHBondContact OD2-N 3.29Å; D203-R380 IonicContact OD1-NH2 2.81Å; D203-R380 IonicContact OD2-CZ 3.79Å; D203-R380 VanDerWaalsContact OD2-CZ 3.27Å; D203-R380 IonicContact OD2-NH1 2.88Å; D203-R380 PolarHBondContact OD2-NH1 3.12Å; D203-R380 IonicContact OD2-NH2 3.68Å; D203-R380 PolarHBondContact OD2-NH2 3.38Å
204N92.2Very high95.5Very high16 Ų1632.2 Ų32.29%0.08615%0.149CC..Hα-helixtrans-57.7-31.6176.5-82.8-27.9000113.1V169 V170 V175 Y208V169-N204 WeakPolarHBondContact CG1-ND2 3.26Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.32Å; V170-N204 PolarHBondContact O-N 2.76Å; V175-N204 HydrophobicContact CB-CB 4.37Å; V175-N204 HydrophobicContact CG1-CB 4.34Å; V175-N204 HydrophobicContact CG2-CB 4.41Å; N204-Y208 VanDerWaalsContact O-CB 3.25Å; N204-Y208 WeakPolarHBondContact O-CB 3.3Å; N204-Y208 PolarHBondContact O-N 2.55Å
205E92.1Very high95.4Very high29 Ų2929.1 Ų29.114%0.13614%0.135CC..Hα-helixtrans-65.7-46.9175.4-167.7170.2156.300111.6S172 K174 D203 Y208 D209 R380S172-E205 WeakPolarHBondContact OG-CB 3.5Å; S172-E205 PolarHBondContact OG-OE2 2.82Å; K174-E205 HydrophobicContact CD-CG 4.17Å; K174-E205 WeakPolarHBondContact CD-OE1 3.19Å; K174-E205 VanDerWaalsContact CE-OE1 3.3Å; K174-E205 WeakPolarHBondContact CE-OE1 3.24Å; K174-E205 IonicContact NZ-OE1 3.27Å; K174-E205 PolarHBondContact NZ-OE1 2.92Å; D203-E205 PolarHBondContact O-N 3.3Å; D203-E205 WeakPolarHBondContact OD1-CB 3.49Å; D203-E205 PolarHBondContact OD1-N 2.91Å; E205-Y208 PolarHBondContact O-N 3.46Å; E205-D209 WeakPolarHBondContact O-CB 3.13Å; E205-D209 PolarHBondContact O-N 3.12Å; E205-R380 IonicContact OE2-NH1 2.7Å
206A94.4Very high95.2Very high10 Ų1034.6 Ų34.68%0.08316%0.158CC..Hα-helixtrans-64.9-44179.400000110.9D203 Y208 D209 I210 A302D203-A206 HydrophobicContact CB-CB 4.02Å; D203-A206 PolarHBondContact O-N 3.08Å; D203-A206 VanDerWaalsContact O-N 3.11Å; A206-Y208 PolarHBondContact O-N 3.2Å; A206-D209 PolarHBondContact O-N 3.29Å; A206-I210 VanDerWaalsContact O-CG1 3.32Å; A206-I210 WeakPolarHBondContact O-CG1 3.39Å; A206-I210 PolarHBondContact O-N 3.35Å; A206-A302 HydrophobicContact CB-CB 4.3Å
207L94.9Very high94.9Very high1 Ų136 Ų361%0.00517%0.165CC..Hα-helixtrans-59.7-45.6174.6-67.8176.5000112I202 D203 D209 I210 C211 L225 L228 V229 M300I202-L207 HydrophobicContact CG2-CD1 3.45Å; I202-L207 VanDerWaalsContact CG2-CD1 3.45Å; I202-L207 HydrophobicContact CG2-CD2 4.43Å; I202-L207 HydrophobicContact CG2-CG 4.1Å; D203-L207 WeakPolarHBondContact O-CG 3.29Å; D203-L207 PolarHBondContact O-N 3.43Å; L207-D209 PolarHBondContact O-N 2.86Å; L207-I210 PolarHBondContact O-N 2.68Å; L207-C211 PolarHBondContact O-N 3.47Å; L207-C211 PolarHBondContact O-SG 3.28Å; L207-L225 HydrophobicContact CB-CB 4.41Å; L207-L225 HydrophobicContact CB-CD2 4.12Å; L207-L225 HydrophobicContact CB-CG 3.9Å; L207-L225 HydrophobicContact CD1-CB 4.28Å; L207-L228 HydrophobicContact CD2-CB 4.46Å; L207-L228 HydrophobicContact CD2-CD2 3.7Å; L207-L228 HydrophobicContact CD2-CG 4.04Å; L207-V229 HydrophobicContact CD1-CG2 3.53Å; L207-V229 HydrophobicContact CD2-CG2 4.01Å; L207-V229 HydrophobicContact CG-CG2 4.44Å; L207-M300 HydrophobicContact CD2-CB 4.17Å; L207-M300 HydrophobicContact CD2-CG 3.9Å; L207-M300 HydrophobicContact CD2-SD 3.87Å
208Y93.4Very high94.6Very high86 Ų8639.3 Ų39.334%0.33719%0.187SC..Hα-helixtrans-60.6-45.7177.5-174.3-85.7000111.2N204 E205 A206 I210 C211 F212 P220N204-Y208 VanDerWaalsContact O-CB 3.25Å; N204-Y208 WeakPolarHBondContact O-CB 3.3Å; N204-Y208 PolarHBondContact O-N 2.55Å; E205-Y208 PolarHBondContact O-N 3.46Å; A206-Y208 PolarHBondContact O-N 3.2Å; Y208-I210 PolarHBondContact O-N 3.19Å; Y208-C211 PolarHBondContact O-N 3.29Å; Y208-F212 HydrophobicContact CD1-CB 4.35Å; Y208-F212 HydrophobicContact CE1-CB 4.12Å; Y208-F212 HydrophobicContact CE1-CG 4.37Å; Y208-F212 VanDerWaalsContact O-CB 3.26Å; Y208-F212 WeakPolarHBondContact O-CB 3.39Å; Y208-F212 PolarHBondContact O-N 2.82Å; Y208-P220 HydrophobicContact CD2-CB 3.98Å; Y208-P220 HydrophobicContact CD2-CG 4.2Å; Y208-P220 HydrophobicContact CE2-CB 3.94Å; Y208-P220 HydrophobicContact CE2-CG 3.91Å
209D93.9Very high94.3Very high46 Ų4645.6 Ų45.625%0.24622%0.221CC..Hα-helixtrans-64-38.3178-93.3-24.5000112.4E205 A206 L207 R213E205-D209 WeakPolarHBondContact O-CB 3.13Å; E205-D209 PolarHBondContact O-N 3.12Å; A206-D209 PolarHBondContact O-N 3.29Å; L207-D209 PolarHBondContact O-N 2.86Å; D209-R213 VanDerWaalsContact CG-NH2 3.35Å; D209-R213 VanDerWaalsContact O-CB 3.25Å; D209-R213 WeakPolarHBondContact O-CB 3.23Å; D209-R213 WeakPolarHBondContact O-CG 3.04Å; D209-R213 PolarHBondContact O-N 3.06Å; D209-R213 IonicContact OD1-CZ 3.55Å; D209-R213 VanDerWaalsContact OD1-CZ 3.22Å; D209-R213 IonicContact OD1-NE 2.68Å; D209-R213 PolarHBondContact OD1-NE 2.8Å; D209-R213 IonicContact OD1-NH2 2.87Å; D209-R213 PolarHBondContact OD1-NH2 3.48Å; D209-R213 IonicContact OD2-CZ 3.11Å; D209-R213 IonicContact OD2-NE 3.22Å; D209-R213 IonicContact OD2-NH2 2.84Å; D209-R213 PolarHBondContact OD2-NH2 2.86Å; D209-R213 VanDerWaalsContact OD2-NH2 3.1Å
210I95.1Very high94Very high1 Ų146.4 Ų46.41%0.00523%0.226CC..Iπ-helixtrans-60.9-50.8172.8-70.3164.3000110.2A206 L207 Y208 F212 T214 L215 L228 L273 K297 M300A206-I210 VanDerWaalsContact O-CG1 3.32Å; A206-I210 WeakPolarHBondContact O-CG1 3.39Å; A206-I210 PolarHBondContact O-N 3.35Å; L207-I210 PolarHBondContact O-N 2.68Å; Y208-I210 PolarHBondContact O-N 3.19Å; I210-F212 PolarHBondContact O-N 2.98Å; I210-T214 WeakPolarHBondContact O-CA 3.19Å; I210-T214 VanDerWaalsContact O-CB 3.25Å; I210-T214 WeakPolarHBondContact O-CB 3.44Å; I210-T214 PolarHBondContact O-N 2.84Å; I210-L215 HydrophobicContact CG2-CG 4.39Å; I210-L215 PolarHBondContact O-N 2.85Å; I210-L228 HydrophobicContact CB-CD2 4.04Å; I210-L228 HydrophobicContact CD1-CD2 4Å; I210-L228 HydrophobicContact CG2-CD2 3.57Å; I210-L273 HydrophobicContact CG2-CD1 3.79Å; I210-L273 HydrophobicContact CG2-CD2 3.91Å; I210-L273 HydrophobicContact CG2-CG 4.4Å; I210-K297 WeakPolarHBondContact CG1-O 3.36Å; I210-M300 HydrophobicContact CD1-CG 4.37Å
211C94.6Very high93.7Very high1 Ų150.2 Ų50.21%0.00725%0.249CC..Iπ-helixtrans-61.3-45.8180-73.80000111.9L207 Y208 L215 K216 L217 P220L207-C211 PolarHBondContact O-N 3.47Å; L207-C211 PolarHBondContact O-SG 3.28Å; Y208-C211 PolarHBondContact O-N 3.29Å; C211-L215 CarbonylContact O-C 3.55Å; C211-L215 WeakPolarHBondContact O-CB 3.37Å; C211-K216 PolarHBondContact O-N 3.26Å; C211-L217 HydrophobicContact CB-CD1 4.08Å; C211-L217 WeakPolarHBondContact O-CB 3.39Å; C211-L217 WeakPolarHBondContact O-CG 3.35Å; C211-L217 PolarHBondContact O-N 2.76Å; C211-P220 HydrophobicContact CB-CB 3.64Å; C211-P220 HydrophobicContact CB-CG 3.74Å
212F94.2Very high93.3Very high97 Ų9755.6 Ų55.643%0.42527%0.27SS..Iπ-helixtrans-72.7-52.6-176.6-176.8-111.5000112.4Y208 I210 K216 L217 P220Y208-F212 HydrophobicContact CD1-CB 4.35Å; Y208-F212 HydrophobicContact CE1-CB 4.12Å; Y208-F212 HydrophobicContact CE1-CG 4.37Å; Y208-F212 VanDerWaalsContact O-CB 3.26Å; Y208-F212 WeakPolarHBondContact O-CB 3.39Å; Y208-F212 PolarHBondContact O-N 2.82Å; I210-F212 PolarHBondContact O-N 2.98Å; F212-K216 VanDerWaalsContact O-CA 3.28Å; F212-K216 WeakPolarHBondContact O-CA 3.06Å; F212-K216 PolarHBondContact O-N 2.85Å; F212-L217 VanDerWaalsContact CD2-O 3.27Å; F212-L217 WeakPolarHBondContact CD2-O 3.49Å; F212-P220 HydrophobicContact CB-CG 3.92Å
213R93.2Very high93.1Very high162 Ų16257.8 Ų57.861%0.61129%0.293SS*.Iπ-helixtrans-87.6-47-171.2-54.4-175.3-165.5-170.99.5112.5D209D209-R213 VanDerWaalsContact CG-NH2 3.35Å; D209-R213 VanDerWaalsContact O-CB 3.25Å; D209-R213 WeakPolarHBondContact O-CB 3.23Å; D209-R213 WeakPolarHBondContact O-CG 3.04Å; D209-R213 PolarHBondContact O-N 3.06Å; D209-R213 IonicContact OD1-CZ 3.55Å; D209-R213 VanDerWaalsContact OD1-CZ 3.22Å; D209-R213 IonicContact OD1-NE 2.68Å; D209-R213 PolarHBondContact OD1-NE 2.8Å; D209-R213 IonicContact OD1-NH2 2.87Å; D209-R213 PolarHBondContact OD1-NH2 3.48Å; D209-R213 IonicContact OD2-CZ 3.11Å; D209-R213 IonicContact OD2-NE 3.22Å; D209-R213 IonicContact OD2-NH2 2.84Å; D209-R213 PolarHBondContact OD2-NH2 2.86Å; D209-R213 VanDerWaalsContact OD2-NH2 3.1Å
214T92.9Very high93.1Very high36 Ų3659.8 Ų59.822%0.22130%0.303CS..Iπ-helixtrans-84-48.4-172.8-540000111.3I210 K216 L273I210-T214 WeakPolarHBondContact O-CA 3.19Å; I210-T214 VanDerWaalsContact O-CB 3.25Å; I210-T214 WeakPolarHBondContact O-CB 3.44Å; I210-T214 PolarHBondContact O-N 2.84Å; T214-K216 VanDerWaalsContact C-N 3.32Å; T214-L273 HydrophobicContact CG2-CB 3.69Å
215L93.7Very high93.2Very high39 Ų3959.2 Ų59.220%0.20430%0.3CS..SBendtrans-83.2-9.5178.4-56.5-178.3000113.3I210 C211 L217 L273 S275I210-L215 HydrophobicContact CG2-CG 4.39Å; I210-L215 PolarHBondContact O-N 2.85Å; C211-L215 CarbonylContact O-C 3.55Å; C211-L215 WeakPolarHBondContact O-CB 3.37Å; L215-L217 VanDerWaalsContact C-N 3.29Å; L215-L217 HydrophobicContact CB-CD1 4.5Å; L215-L217 HydrophobicContact CB-CG 4.09Å; L215-L217 PolarHBondContact O-N 3.19Å; L215-L273 HydrophobicContact CD2-CB 4.18Å; L215-L273 HydrophobicContact CD2-CD2 4.19Å; L215-S275 VanDerWaalsContact O-CB 3.25Å; L215-S275 WeakPolarHBondContact O-CB 3.39Å
216K93.6Very high93.3Very high144 Ų14458.5 Ų58.563%0.62630%0.297SS*.  trans58.936.6178-57.4-178.3178.6178.20113.1C211 F212 T214C211-K216 PolarHBondContact O-N 3.26Å; F212-K216 VanDerWaalsContact O-CA 3.28Å; F212-K216 WeakPolarHBondContact O-CA 3.06Å; F212-K216 PolarHBondContact O-N 2.85Å; T214-K216 VanDerWaalsContact C-N 3.32Å
217L93.4Very high93.3Very high36 Ų3663.1 Ų63.119%0.18832%0.317CS..  trans-81126.8172.9-55.4-177.2000108.7C211 F212 L215 P220 D224C211-L217 HydrophobicContact CB-CD1 4.08Å; C211-L217 WeakPolarHBondContact O-CB 3.39Å; C211-L217 WeakPolarHBondContact O-CG 3.35Å; C211-L217 PolarHBondContact O-N 2.76Å; F212-L217 VanDerWaalsContact CD2-O 3.27Å; F212-L217 WeakPolarHBondContact CD2-O 3.49Å; L215-L217 VanDerWaalsContact C-N 3.29Å; L215-L217 HydrophobicContact CB-CD1 4.5Å; L215-L217 HydrophobicContact CB-CG 4.09Å; L215-L217 PolarHBondContact O-N 3.19Å; L217-P220 HydrophobicContact CB-CG 4.23Å; L217-D224 HydrophobicContact CD1-CB 3.86Å
218T91.3Very high93.3Very high116 Ų11663.4 Ų63.471%0.71232%0.319SS*.SBendtrans-71.8-37.2-175.450.60000112.9
219N90.9Very high93.4Very high132 Ų13259.4 Ų59.471%0.70630%0.303SS*.SBendtrans-13381.6176.1-68.3-25000108.8T221N219-T221 PolarHBondContact O-N 2.78Å
220P92.6Very high93.5Very high17 Ų1757.2 Ų57.211%0.1129%0.291CS..  trans-54.4132174.7-24.333.8000111.5Y208 C211 F212 L217 L225Y208-P220 HydrophobicContact CD2-CB 3.98Å; Y208-P220 HydrophobicContact CD2-CG 4.2Å; Y208-P220 HydrophobicContact CE2-CB 3.94Å; Y208-P220 HydrophobicContact CE2-CG 3.91Å; C211-P220 HydrophobicContact CB-CB 3.64Å; C211-P220 HydrophobicContact CB-CG 3.74Å; F212-P220 HydrophobicContact CB-CG 3.92Å; L217-P220 HydrophobicContact CB-CG 4.23Å; P220-L225 HydrophobicContact CB-CD1 3.89Å
221T92.3Very high93.5Very high80 Ų8057.9 Ų57.949%0.49130%0.297SS..  trans-106.1160.2175.4680000110.4N219 G223 D224 L225N219-T221 PolarHBondContact O-N 2.78Å; T221-G223 PolarHBondContact O-N 3.12Å; T221-G223 VanDerWaalsContact O-N 3.07Å; T221-G223 PolarHBondContact OG1-N 2.89Å; T221-D224 WeakPolarHBondContact CB-OD2 3.49Å; T221-D224 PolarHBondContact N-OD2 2.86Å; T221-D224 WeakPolarHBondContact O-CA 3.28Å; T221-D224 WeakPolarHBondContact O-CB 3.37Å; T221-D224 PolarHBondContact O-N 2.87Å; T221-D224 PolarHBondContact OG1-N 2.82Å; T221-D224 PolarHBondContact OG1-OD2 3.4Å; T221-L225 WeakPolarHBondContact O-CD1 3.5Å; T221-L225 PolarHBondContact O-N 2.88Å; T221-L225 VanDerWaalsContact O-N 3.11Å
222Y90.4Very high93.6Very high117 Ų11758 Ų5846%0.45930%0.297SS..Hα-helixtrans-55-27.7171.8-75.3-67.6000113.1D224 L225 N226Y222-D224 VanDerWaalsContact C-N 3.34Å; Y222-D224 PolarHBondContact O-N 2.9Å; Y222-L225 HydrophobicContact CD1-CD2 4.27Å; Y222-L225 PolarHBondContact O-N 3.36Å; Y222-N226 WeakPolarHBondContact O-CB 3.25Å; Y222-N226 PolarHBondContact O-N 3.42Å; Y222-N226 PolarHBondContact O-ND2 3.45Å; Y222-N226 PolarHBondContact O-OD1 2.67Å
223G92.6Very high93.7Very high47 Ų4753.3 Ų53.349%0.48528%0.277SS..Hα-helixtrans-62.8-38.617200000113.2T221 H227T221-G223 PolarHBondContact O-N 3.12Å; T221-G223 VanDerWaalsContact O-N 3.07Å; T221-G223 PolarHBondContact OG1-N 2.89Å; G223-H227 WeakPolarHBondContact O-CB 3.49Å; G223-H227 PolarHBondContact O-N 2.96Å
224D93.6Very high93.8Very high43 Ų4345.7 Ų45.723%0.2325%0.248CC..Hα-helixtrans-69.7-43.3175.8-57.8-67.1000111.3L217 T221 Y222 H227 L228L217-D224 HydrophobicContact CD1-CB 3.86Å; T221-D224 WeakPolarHBondContact CB-OD2 3.49Å; T221-D224 PolarHBondContact N-OD2 2.86Å; T221-D224 WeakPolarHBondContact O-CA 3.28Å; T221-D224 WeakPolarHBondContact O-CB 3.37Å; T221-D224 PolarHBondContact O-N 2.87Å; T221-D224 PolarHBondContact OG1-N 2.82Å; T221-D224 PolarHBondContact OG1-OD2 3.4Å; Y222-D224 VanDerWaalsContact C-N 3.34Å; Y222-D224 PolarHBondContact O-N 2.9Å; D224-H227 PolarHBondContact O-N 2.88Å; D224-L228 PolarHBondContact O-N 2.81Å
225L94.5Very high93.9Very high3 Ų344 Ų442%0.01624%0.238CC..Hα-helixtrans-62.3-50.2177.4-79.766.5000110.3L207 P220 T221 Y222 H227 L228 V229L207-L225 HydrophobicContact CB-CB 4.41Å; L207-L225 HydrophobicContact CB-CD2 4.12Å; L207-L225 HydrophobicContact CB-CG 3.9Å; L207-L225 HydrophobicContact CD1-CB 4.28Å; P220-L225 HydrophobicContact CB-CD1 3.89Å; T221-L225 WeakPolarHBondContact O-CD1 3.5Å; T221-L225 PolarHBondContact O-N 2.88Å; T221-L225 VanDerWaalsContact O-N 3.11Å; Y222-L225 HydrophobicContact CD1-CD2 4.27Å; Y222-L225 PolarHBondContact O-N 3.36Å; L225-H227 VanDerWaalsContact C-N 3.27Å; L225-H227 PolarHBondContact O-N 3.29Å; L225-L228 WeakPolarHBondContact O-CB 3.35Å; L225-L228 PolarHBondContact O-N 2.86Å; L225-V229 WeakPolarHBondContact O-CG2 3.32Å; L225-V229 PolarHBondContact O-N 3.45Å
226N94.2Very high93.9Very high14 Ų1442.4 Ų42.48%0.07523%0.23CC..Hα-helixtrans-63.7-32.1180-67.8-14.3000112.3I16 Y222 L228 V229 S230I16-N226 HydrophobicContact CG1-CB 4.38Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.26Å; Y222-N226 WeakPolarHBondContact O-CB 3.25Å; Y222-N226 PolarHBondContact O-N 3.42Å; Y222-N226 PolarHBondContact O-ND2 3.45Å; Y222-N226 PolarHBondContact O-OD1 2.67Å; N226-L228 VanDerWaalsContact C-N 3.34Å; N226-V229 PolarHBondContact O-N 3.22Å; N226-S230 WeakPolarHBondContact O-CB 2.96Å; N226-S230 PolarHBondContact O-N 3.47Å; N226-S230 PolarHBondContact O-OG 2.8Å
227H94.1Very high93.9Very high107 Ų10735.6 Ų35.650%0.49520%0.2SC..Hα-helixtrans-61.8-44.7172.8178.555.6000111.3G223 D224 L225 S230 A231G223-H227 WeakPolarHBondContact O-CB 3.49Å; G223-H227 PolarHBondContact O-N 2.96Å; D224-H227 PolarHBondContact O-N 2.88Å; L225-H227 VanDerWaalsContact C-N 3.27Å; L225-H227 PolarHBondContact O-N 3.29Å; H227-S230 WeakPolarHBondContact CA-OG 3.43Å; H227-S230 PolarHBondContact O-N 2.89Å; H227-S230 PolarHBondContact O-OG 2.89Å; H227-A231 PolarHBondContact O-N 3.02Å
228L94.7Very high93.9Very high8 Ų833.9 Ų33.94%0.04219%0.191CC..Hα-helixtrans-64-43.6177.4-179.857.5000111.6L207 I210 D224 L225 N226 S230 A231 T232 F270 L273 M300L207-L228 HydrophobicContact CD2-CB 4.46Å; L207-L228 HydrophobicContact CD2-CD2 3.7Å; L207-L228 HydrophobicContact CD2-CG 4.04Å; I210-L228 HydrophobicContact CB-CD2 4.04Å; I210-L228 HydrophobicContact CD1-CD2 4Å; I210-L228 HydrophobicContact CG2-CD2 3.57Å; D224-L228 PolarHBondContact O-N 2.81Å; L225-L228 WeakPolarHBondContact O-CB 3.35Å; L225-L228 PolarHBondContact O-N 2.86Å; N226-L228 VanDerWaalsContact C-N 3.34Å; L228-S230 PolarHBondContact O-N 2.84Å; L228-A231 PolarHBondContact O-N 3.09Å; L228-T232 PolarHBondContact O-N 3.14Å; L228-T232 VanDerWaalsContact O-N 3.14Å; L228-T232 PolarHBondContact O-OG1 3.18Å; L228-F270 HydrophobicContact CD1-CB 4.21Å; L228-F270 HydrophobicContact CD1-CD1 4.4Å; L228-L273 HydrophobicContact CD1-CD2 3.72Å; L228-M300 HydrophobicContact CD1-CE 3.38Å; L228-M300 HydrophobicContact CD2-CE 3.94Å; L228-M300 HydrophobicContact CG-CE 3.35Å; L228-M300 HydrophobicContact CG-SD 4.31Å
229V96.8Very high93.7Very high1 Ų128.7 Ų28.71%0.00616%0.16CC..Hα-helixtrans-59.6-47.3174.61790000111.5I16 I202 L207 L225 N226 A231 T232 M233I16-V229 HydrophobicContact CD1-CG1 4.27Å; I16-V229 HydrophobicContact CG1-CG1 4.43Å; I16-V229 HydrophobicContact CG2-CB 4.36Å; I16-V229 HydrophobicContact CG2-CG1 3.57Å; I202-V229 HydrophobicContact CD1-CG1 3.6Å; I202-V229 HydrophobicContact CG2-CG2 3.64Å; L207-V229 HydrophobicContact CD1-CG2 3.53Å; L207-V229 HydrophobicContact CD2-CG2 4.01Å; L207-V229 HydrophobicContact CG-CG2 4.44Å; L225-V229 WeakPolarHBondContact O-CG2 3.32Å; L225-V229 PolarHBondContact O-N 3.45Å; N226-V229 PolarHBondContact O-N 3.22Å; V229-A231 VanDerWaalsContact C-N 3.3Å; V229-A231 PolarHBondContact O-N 3.04Å; V229-T232 WeakPolarHBondContact O-CB 3.47Å; V229-T232 PolarHBondContact O-N 3.01Å; V229-M233 HydrophobicContact CG1-CG 4.21Å; V229-M233 HydrophobicContact CG1-SD 3.9Å; V229-M233 WeakPolarHBondContact O-CG 3.23Å; V229-M233 PolarHBondContact O-N 3.26Å
230S96Very high93.7Very high0 Ų022.7 Ų22.70%013%0.128CC..Hα-helixtrans-62.1-36.1179.567.70000113.1K19 N226 H227 L228 T232 M233 S234K19-S230 WeakPolarHBondContact CG-OG 3.06Å; N226-S230 WeakPolarHBondContact O-CB 2.96Å; N226-S230 PolarHBondContact O-N 3.47Å; N226-S230 PolarHBondContact O-OG 2.8Å; H227-S230 WeakPolarHBondContact CA-OG 3.43Å; H227-S230 PolarHBondContact O-N 2.89Å; H227-S230 PolarHBondContact O-OG 2.89Å; L228-S230 PolarHBondContact O-N 2.84Å; S230-T232 VanDerWaalsContact C-N 3.34Å; S230-M233 PolarHBondContact O-N 2.91Å; S230-S234 WeakPolarHBondContact O-CB 3.5Å; S230-S234 PolarHBondContact O-N 3.22Å
231A94.6Very high93.7Very high16 Ų1621.9 Ų21.913%0.13212%0.123CC..Hα-helixtrans-66.6-40.3177.600000110.8H227 L228 V229 G235 F270H227-A231 PolarHBondContact O-N 3.02Å; L228-A231 PolarHBondContact O-N 3.09Å; V229-A231 VanDerWaalsContact C-N 3.3Å; V229-A231 PolarHBondContact O-N 3.04Å; A231-G235 PolarHBondContact O-N 3.12Å; A231-F270 HydrophobicContact CB-CD2 4.14Å; A231-F270 HydrophobicContact CB-CE2 3.97Å; A231-F270 HydrophobicContact CB-CZ 4.21Å
232T96.1Very high93.5Very high2 Ų218.1 Ų18.11%0.01210%0.099CC..Hα-helixtrans-65.2-49.9173-640000112.4L228 V229 S230 S234 G235 V236 P268 M300 T366L228-T232 PolarHBondContact O-N 3.14Å; L228-T232 VanDerWaalsContact O-N 3.14Å; L228-T232 PolarHBondContact O-OG1 3.18Å; V229-T232 WeakPolarHBondContact O-CB 3.47Å; V229-T232 PolarHBondContact O-N 3.01Å; S230-T232 VanDerWaalsContact C-N 3.34Å; T232-S234 VanDerWaalsContact C-N 3.27Å; T232-S234 PolarHBondContact O-N 3.45Å; T232-G235 CarbonylContact O-C 3.15Å; T232-G235 WeakPolarHBondContact O-CA 3.27Å; T232-G235 PolarHBondContact O-N 2.86Å; T232-V236 HydrophobicContact CG2-CG2 4.31Å; T232-V236 WeakPolarHBondContact O-CG2 3.3Å; T232-V236 PolarHBondContact O-N 3.16Å; T232-P268 HydrophobicContact CG2-CB 3.58Å; T232-P268 HydrophobicContact CG2-CG 4.29Å; T232-M300 HydrophobicContact CG2-CE 4.46Å; T232-M300 HydrophobicContact CG2-SD 4.03Å; T232-M300 WeakPolarHBondContact OG1-CE 3.46Å; T232-M300 PolarHBondContact OG1-SD 3.14Å; T232-T366 HydrophobicContact CG2-CG2 4.35Å
233M97Very high92.9Very high0 Ų015 Ų150%09%0.093CC..Hα-helixtrans-57.1-43.2177.3-70172.870.300111.2I16 F20 T136 F167 V229 S230 G235 V236 T237I16-M233 HydrophobicContact CG2-CE 4.41Å; I16-M233 HydrophobicContact CG2-SD 3.41Å; I16-M233 WeakPolarHBondContact CG2-SD 3.18Å; F20-M233 HydrophobicContact CB-CE 3.94Å; F20-M233 HydrophobicContact CB-SD 4.19Å; F20-M233 HydrophobicContact CD1-CE 4.09Å; F20-M233 HydrophobicContact CD2-CB 3.55Å; F20-M233 HydrophobicContact CD2-CE 3.99Å; F20-M233 HydrophobicContact CD2-SD 4.42Å; F20-M233 HydrophobicContact CE2-CB 3.85Å; F20-M233 HydrophobicContact CG-CB 4.41Å; F20-M233 HydrophobicContact CG-CE 3.74Å; F20-M233 HydrophobicContact CG-SD 4.41Å; T136-M233 WeakPolarHBondContact OG1-CE 3.25Å; F167-M233 HydrophobicContact CD1-CG 3.69Å; F167-M233 HydrophobicContact CD2-CE 3.68Å; F167-M233 HydrophobicContact CD2-CG 3.97Å; F167-M233 HydrophobicContact CD2-SD 4.33Å; F167-M233 HydrophobicContact CE1-CB 4.34Å; F167-M233 HydrophobicContact CE1-CG 3.64Å; F167-M233 HydrophobicContact CE2-CB 4.32Å; F167-M233 HydrophobicContact CE2-CE 3.99Å; F167-M233 HydrophobicContact CE2-CG 3.87Å; F167-M233 HydrophobicContact CG-CE 4.18Å; F167-M233 HydrophobicContact CG-CG 3.86Å; F167-M233 HydrophobicContact CG-SD 4.27Å; F167-M233 HydrophobicContact CZ-CB 4.08Å; F167-M233 HydrophobicContact CZ-CG 3.74Å; V229-M233 HydrophobicContact CG1-CG 4.21Å; V229-M233 HydrophobicContact CG1-SD 3.9Å; V229-M233 WeakPolarHBondContact O-CG 3.23Å; V229-M233 PolarHBondContact O-N 3.26Å; S230-M233 PolarHBondContact O-N 2.91Å; M233-G235 VanDerWaalsContact C-N 3.33Å; M233-G235 PolarHBondContact O-N 2.71Å; M233-V236 PolarHBondContact O-N 3.33Å; M233-T237 WeakPolarHBondContact O-CB 3.45Å; M233-T237 VanDerWaalsContact O-CG2 3.26Å; M233-T237 WeakPolarHBondContact O-CG2 3.5Å; M233-T237 PolarHBondContact O-N 2.8Å; M233-T237 PolarHBondContact O-OG1 3.38Å
234S95.2Very high91.7Very high1 Ų114 Ų141%0.0078%0.083CC..Hα-helixtrans-59.3-45.2174.1176.80000111.6E27 S230 T232 T237 T238 R241 R318E27-S234 PolarHBondContact OE1-OG 2.96Å; E27-S234 PolarHBondContact OE2-OG 2.77Å; S230-S234 WeakPolarHBondContact O-CB 3.5Å; S230-S234 PolarHBondContact O-N 3.22Å; T232-S234 VanDerWaalsContact C-N 3.27Å; T232-S234 PolarHBondContact O-N 3.45Å; S234-T237 PolarHBondContact O-N 2.94Å; S234-T237 PolarHBondContact O-OG1 3.04Å; S234-T238 PolarHBondContact O-N 3.43Å; S234-T238 VanDerWaalsContact O-N 3.08Å; S234-T238 PolarHBondContact O-OG1 2.98Å; S234-R241 PolarHBondContact O-NH2 3.36Å; S234-R241 PolarHBondContact OG-NH2 3.34Å; S234-R318 PolarHBondContact OG-NH1 3.38Å
235G94.4Very high89.9Confident0 Ų020 Ų200%011%0.11CC..Hα-helixtrans-61.1-49.5176.400000114.3A231 T232 M233 T237 T238 T366A231-G235 PolarHBondContact O-N 3.12Å; T232-G235 CarbonylContact O-C 3.15Å; T232-G235 WeakPolarHBondContact O-CA 3.27Å; T232-G235 PolarHBondContact O-N 2.86Å; M233-G235 VanDerWaalsContact C-N 3.33Å; M233-G235 PolarHBondContact O-N 2.71Å; G235-T237 VanDerWaalsContact C-N 3.26Å; G235-T237 PolarHBondContact O-N 2.79Å; G235-T238 WeakPolarHBondContact CA-OG1 3.38Å; G235-T238 VanDerWaalsContact O-CB 3.25Å; G235-T238 WeakPolarHBondContact O-CB 3.37Å; G235-T238 PolarHBondContact O-N 3.09Å; G235-T238 VanDerWaalsContact O-N 3.17Å; G235-T238 PolarHBondContact O-OG1 2.99Å; G235-T238 VanDerWaalsContact O-OG1 3.1Å; G235-T366 VanDerWaalsContact CA-OG1 3.31Å; G235-T366 WeakPolarHBondContact CA-OG1 3.25Å
236V94Very high88.2Confident7 Ų721.6 Ų21.64%0.04212%0.118CC..Hα-helixtrans-55.9-43.8176.6170.20000110.7F167 F200 T232 M233 T238 T366 I368F167-V236 HydrophobicContact CE1-CG2 4.44Å; F167-V236 HydrophobicContact CZ-CB 4.23Å; F167-V236 HydrophobicContact CZ-CG1 4.09Å; F200-V236 HydrophobicContact CD1-CG2 4.27Å; F200-V236 HydrophobicContact CE1-CB 4.48Å; F200-V236 HydrophobicContact CE1-CG1 3.83Å; F200-V236 HydrophobicContact CE1-CG2 3.75Å; F200-V236 HydrophobicContact CE2-CG1 3.93Å; F200-V236 HydrophobicContact CZ-CB 4.48Å; F200-V236 HydrophobicContact CZ-CG1 3.39Å; F200-V236 HydrophobicContact CZ-CG2 4.22Å; T232-V236 HydrophobicContact CG2-CG2 4.31Å; T232-V236 WeakPolarHBondContact O-CG2 3.3Å; T232-V236 PolarHBondContact O-N 3.16Å; M233-V236 PolarHBondContact O-N 3.33Å; V236-T238 VanDerWaalsContact C-N 3.31Å; V236-T238 PolarHBondContact O-N 3.18Å; V236-T366 HydrophobicContact CG2-CG2 3.87Å; V236-I368 HydrophobicContact CB-CD1 4.45Å; V236-I368 HydrophobicContact CG1-CD1 4.12Å; V236-I368 HydrophobicContact CG2-CD1 4.01Å; V236-I368 HydrophobicContact CG2-CG1 4.14Å
237T93.7Very high86.7Confident0 Ų021.2 Ų21.20%012%0.116CC..THydrogen-bonded Turntrans-860.7-175.761.10000113.9F20 Y50 M233 S234 G235 C239 L240 R241F20-T237 HydrophobicContact CZ-CG2 4.49Å; Y50-T237 HydrophobicContact CE2-CG2 4.43Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.34Å; M233-T237 WeakPolarHBondContact O-CB 3.45Å; M233-T237 VanDerWaalsContact O-CG2 3.26Å; M233-T237 WeakPolarHBondContact O-CG2 3.5Å; M233-T237 PolarHBondContact O-N 2.8Å; M233-T237 PolarHBondContact O-OG1 3.38Å; S234-T237 PolarHBondContact O-N 2.94Å; S234-T237 PolarHBondContact O-OG1 3.04Å; G235-T237 VanDerWaalsContact C-N 3.26Å; G235-T237 PolarHBondContact O-N 2.79Å; T237-C239 PolarHBondContact O-N 2.86Å; T237-L240 HydrophobicContact CG2-CD1 4.25Å; T237-L240 WeakPolarHBondContact O-CB 3.49Å; T237-L240 PolarHBondContact O-N 2.92Å; T237-L240 VanDerWaalsContact O-N 3.12Å; T237-R241 PolarHBondContact O-N 3.33Å; T237-R241 VanDerWaalsContact O-N 3.14Å; T237-R241 PolarHBondContact OG1-NE 3.24Å
238T92.5Very high85.8Confident0 Ų017.8 Ų17.80%011%0.107CC..Hα-helixtrans-60.3-44.4-174.9-670000111.8S234 G235 V236 L240 R241 F242 R318 C354S234-T238 PolarHBondContact O-N 3.43Å; S234-T238 VanDerWaalsContact O-N 3.08Å; S234-T238 PolarHBondContact O-OG1 2.98Å; G235-T238 WeakPolarHBondContact CA-OG1 3.38Å; G235-T238 VanDerWaalsContact O-CB 3.25Å; G235-T238 WeakPolarHBondContact O-CB 3.37Å; G235-T238 PolarHBondContact O-N 3.09Å; G235-T238 VanDerWaalsContact O-N 3.17Å; G235-T238 PolarHBondContact O-OG1 2.99Å; G235-T238 VanDerWaalsContact O-OG1 3.1Å; V236-T238 VanDerWaalsContact C-N 3.31Å; V236-T238 PolarHBondContact O-N 3.18Å; T238-L240 PolarHBondContact O-N 3.2Å; T238-R241 PolarHBondContact O-N 2.78Å; T238-F242 HydrophobicContact CG2-CD2 4.06Å; T238-F242 PolarHBondContact O-N 2.76Å; T238-R318 HydrophobicContact CG2-CG 4.06Å; T238-R318 WeakPolarHBondContact OG1-CD 3.29Å; T238-R318 PolarHBondContact OG1-NE 2.84Å; T238-R318 PolarHBondContact OG1-NH1 3.38Å; T238-C354 HydrophobicContact CG2-CB 3.58Å
239C88.1Confident85.4Confident7 Ų718.1 Ų18.15%0.04711%0.108CC..Hα-helixtrans-68.4-18.3-179.6-65.40000113.8R46 T237 L246 N247R46-C239 PolarHBondContact NH1-O 3.45Å; T237-C239 PolarHBondContact O-N 2.86Å; C239-L246 VanDerWaalsContact CB-O 3.3Å; C239-L246 WeakPolarHBondContact CB-O 3.43Å; C239-N247 WeakPolarHBondContact CB-O 3.2Å
240L90.9Very high85.2Confident6 Ų618.2 Ų18.23%0.03111%0.109CC..Hα-helixtrans-80-43.5174.1-47.2175.4000109.6I4 R46 V49 T237 T238 L250I4-L240 HydrophobicContact CD1-CD1 3.68Å; R46-L240 VanDerWaalsContact CD-O 3.28Å; R46-L240 WeakPolarHBondContact CD-O 3.41Å; V49-L240 HydrophobicContact CG1-CB 4.29Å; V49-L240 WeakPolarHBondContact CG2-O 3.44Å; T237-L240 HydrophobicContact CG2-CD1 4.25Å; T237-L240 WeakPolarHBondContact O-CB 3.49Å; T237-L240 PolarHBondContact O-N 2.92Å; T237-L240 VanDerWaalsContact O-N 3.12Å; T238-L240 PolarHBondContact O-N 3.2Å; L240-L250 HydrophobicContact CD1-CD2 3.71Å; L240-L250 HydrophobicContact CD1-CG 4.28Å
241R91.9Very high85.1Confident1 Ų123.8 Ų23.80%0.00413%0.13CC..Hα-helixtrans-87.7-22.2-172-69.9-176.9-57.7102.1-2.3115.3E27 H28 R46 Y50 S234 T237 T238E27-R241 IonicContact OE2-CZ 3.1Å; E27-R241 VanDerWaalsContact OE2-CZ 3.27Å; E27-R241 IonicContact OE2-NH1 2.85Å; E27-R241 PolarHBondContact OE2-NH1 2.94Å; E27-R241 IonicContact OE2-NH2 2.87Å; E27-R241 PolarHBondContact OE2-NH2 3.15Å; H28-R241 PolarHBondContact NE2-NH1 3.12Å; R46-R241 WeakPolarHBondContact CB-O 3.2Å; Y50-R241 HydrophobicContact CD2-CG 3.57Å; Y50-R241 HydrophobicContact CE2-CG 3.75Å; S234-R241 PolarHBondContact O-NH2 3.36Å; S234-R241 PolarHBondContact OG-NH2 3.34Å; T237-R241 PolarHBondContact O-N 3.33Å; T237-R241 VanDerWaalsContact O-N 3.14Å; T237-R241 PolarHBondContact OG1-NE 3.24Å; T238-R241 PolarHBondContact O-N 2.78Å
242F88.3Confident85Confident1 Ų127.1 Ų27.10%0.00414%0.141CC..SBendtrans-127.5157.6-178.8-64.9-60.2000111.6E27 H28 R46 T238 G244 I356E27-F242 HydrophobicContact CB-CE2 4.33Å; E27-F242 HydrophobicContact CB-CZ 4.03Å; H28-F242 AromaticContact CE1-CE1 3.63Å; H28-F242 AromaticContact CE1-CZ 3.81Å; H28-F242 AromaticContact ND1-CE1 3.85Å; R46-F242 PolarHBondContact NH1-O 3.48Å; R46-F242 VanDerWaalsContact NH1-O 3.15Å; T238-F242 HydrophobicContact CG2-CD2 4.06Å; T238-F242 PolarHBondContact O-N 2.76Å; F242-G244 PolarHBondContact O-N 2.85Å; F242-I356 HydrophobicContact CB-CD1 4.37Å; F242-I356 HydrophobicContact CD1-CD1 3.31Å; F242-I356 HydrophobicContact CD2-CD1 4.21Å; F242-I356 HydrophobicContact CE1-CD1 3.48Å; F242-I356 VanDerWaalsContact CE1-CD1 3.48Å; F242-I356 HydrophobicContact CE2-CD1 4.33Å; F242-I356 HydrophobicContact CE2-CG2 4.32Å; F242-I356 HydrophobicContact CG-CD1 3.71Å; F242-I356 HydrophobicContact CZ-CD1 3.99Å; F242-I356 HydrophobicContact CZ-CG2 4.3Å
243P76.8Confident84.8Confident50 Ų5027.3 Ų27.333%0.32514%0.142SC..  trans-63.1130.1175.8-15.931000109.9E45E45-P243 HydrophobicContact CB-CG 4.01Å; E45-P243 HydrophobicContact CG-CG 4.44Å; E45-P243 WeakPolarHBondContact OE2-CG 3.44Å
244G67.3Low84.7Confident27 Ų2727.9 Ų27.928%0.27815%0.147SC..  trans-171158179.200000110.7F242F242-G244 PolarHBondContact O-N 2.85Å
245Q57.6Low84.6Confident169 Ų16932.2 Ų32.279%0.7917%0.173SC*.SBendtrans-80.2-29.8-172.3-69.1-161.8-18.600114.5
246L58.7Low84.5Confident37 Ų3734.2 Ų34.219%0.19418%0.184CC..SBendtrans-102.6142.3-173.4-154.599.6000111.8C239 K350 A352C239-L246 VanDerWaalsContact CB-O 3.3Å; C239-L246 WeakPolarHBondContact CB-O 3.43Å; L246-K350 HydrophobicContact CD1-CB 4.27Å; L246-K350 HydrophobicContact CD2-CB 3.57Å; L246-A352 HydrophobicContact CB-CB 3.77Å; L246-A352 HydrophobicContact CD2-CB 4.17Å
247N62.8Low84.5Confident5 Ų533.9 Ų33.93%0.02718%0.182CC..  trans47.963.5174-59.9-19.6000114.7C239 D249 K252 L253 N256C239-N247 WeakPolarHBondContact CB-O 3.2Å; N247-D249 PolarHBondContact O-N 2.82Å; N247-D249 VanDerWaalsContact O-N 3.1Å; N247-K252 PolarHBondContact OD1-O 3.04Å; N247-L253 HydrophobicContact CB-CB 4.29Å; N247-L253 HydrophobicContact CB-CD1 4.42Å; N247-L253 VanDerWaalsContact ND2-CD1 3.32Å; N247-L253 WeakPolarHBondContact ND2-CD1 3.41Å; N247-N256 PolarHBondContact OD1-ND2 2.86Å
248A74.1Confident84.7Confident36 Ų3635 Ų3530%0.29819%0.189SC..  trans-66.8-8.6-178.200000114.4
249D87.5Confident84.8Confident14 Ų1436.7 Ų36.78%0.07520%0.2CC..SBendtrans-158.7161.8-174.562.883.2000110.3R2 N247 R251 K252 L253R2-D249 IonicContact CZ-OD2 3.83Å; R2-D249 IonicContact NH1-OD1 3.55Å; R2-D249 PolarHBondContact NH1-OD1 2.95Å; R2-D249 IonicContact NH1-OD2 3.26Å; R2-D249 PolarHBondContact NH1-OD2 3Å; R2-D249 IonicContact NH2-OD2 2.7Å; N247-D249 PolarHBondContact O-N 2.82Å; N247-D249 VanDerWaalsContact O-N 3.1Å; D249-R251 VanDerWaalsContact C-N 3.32Å; D249-R251 PolarHBondContact O-N 2.86Å; D249-R251 WeakPolarHBondContact OD1-CA 3.36Å; D249-R251 WeakPolarHBondContact OD1-CB 3.22Å; D249-R251 PolarHBondContact OD1-N 3.43Å; D249-R251 VanDerWaalsContact OD1-N 3.07Å; D249-K252 PolarHBondContact O-N 3.43Å; D249-K252 WeakPolarHBondContact OD1-CB 3.48Å; D249-K252 PolarHBondContact OD1-N 3.37Å; D249-L253 PolarHBondContact O-N 3.07Å; D249-L253 VanDerWaalsContact O-N 3.15Å
250L91.9Very high85.2Confident3 Ų337.4 Ų37.42%0.01620%0.202CC..Hα-helixtrans-61.1-39.2-179.3-67.9174.5000112I4 Q131 I163 N165 L240 K252 L253 A254I4-L250 HydrophobicContact CD1-CD1 3.79Å; I4-L250 HydrophobicContact CD1-CD2 4.33Å; I4-L250 HydrophobicContact CD1-CG 3.94Å; I4-L250 HydrophobicContact CG1-CD1 3.95Å; Q131-L250 HydrophobicContact CB-CD1 4.46Å; I163-L250 HydrophobicContact CB-CB 3.94Å; I163-L250 HydrophobicContact CB-CD1 4.33Å; I163-L250 HydrophobicContact CG1-CB 4.1Å; I163-L250 HydrophobicContact CG2-CB 3.79Å; I163-L250 HydrophobicContact CG2-CD1 4.21Å; N165-L250 HydrophobicContact CB-CD2 4.45Å; L240-L250 HydrophobicContact CD1-CD2 3.71Å; L240-L250 HydrophobicContact CD1-CG 4.28Å; L250-K252 VanDerWaalsContact C-N 3.32Å; L250-K252 PolarHBondContact O-N 3.4Å; L250-L253 WeakPolarHBondContact O-CB 3.47Å; L250-L253 PolarHBondContact O-N 2.64Å; L250-L253 VanDerWaalsContact O-N 3.12Å; L250-A254 PolarHBondContact O-N 3.26Å
251R93.5Very high85.4Confident117 Ų11742.3 Ų42.344%0.44223%0.234SC..Hα-helixtrans-63.9-40.9-179.3-175.3176.4-54.2-72.8-7.2111.5D161 I163 D249 L253 A254 V255D161-R251 PolarHBondContact O-NH2 2.79Å; I163-R251 HydrophobicContact CD1-CB 4.24Å; I163-R251 HydrophobicContact CD1-CG 4.44Å; I163-R251 HydrophobicContact CG1-CB 4.04Å; D249-R251 VanDerWaalsContact C-N 3.32Å; D249-R251 PolarHBondContact O-N 2.86Å; D249-R251 WeakPolarHBondContact OD1-CA 3.36Å; D249-R251 WeakPolarHBondContact OD1-CB 3.22Å; D249-R251 PolarHBondContact OD1-N 3.43Å; D249-R251 VanDerWaalsContact OD1-N 3.07Å; R251-L253 VanDerWaalsContact C-N 3.3Å; R251-A254 PolarHBondContact O-N 3.28Å; R251-V255 HydrophobicContact CG-CG2 4.45Å; R251-V255 VanDerWaalsContact O-CG2 3.31Å; R251-V255 WeakPolarHBondContact O-CG2 3.5Å; R251-V255 PolarHBondContact O-N 3.28Å
252K91.9Very high85.7Confident87 Ų8744.9 Ų44.938%0.37824%0.244SC..Hα-helixtrans-66.9-33.3176.4-173.1171.7-178.8178.90111.6N247 D249 L250 N256N247-K252 PolarHBondContact OD1-O 3.04Å; D249-K252 PolarHBondContact O-N 3.43Å; D249-K252 WeakPolarHBondContact OD1-CB 3.48Å; D249-K252 PolarHBondContact OD1-N 3.37Å; L250-K252 VanDerWaalsContact C-N 3.32Å; L250-K252 PolarHBondContact O-N 3.4Å; K252-N256 WeakPolarHBondContact O-CB 3.36Å; K252-N256 PolarHBondContact O-N 2.98Å; K252-N256 PolarHBondContact O-ND2 2.9Å
253L92.4Very high86.2Confident6 Ų644.9 Ų44.93%0.03124%0.244CC..Hα-helixtrans-63.2-51.9171.4179.565000110.1E198 F200 N247 D249 L250 R251 V255 N256 M257 I368E198-L253 WeakPolarHBondContact OE1-CB 3.46Å; E198-L253 WeakPolarHBondContact OE1-CG 3.22Å; F200-L253 HydrophobicContact CZ-CD2 4.29Å; N247-L253 HydrophobicContact CB-CB 4.29Å; N247-L253 HydrophobicContact CB-CD1 4.42Å; N247-L253 VanDerWaalsContact ND2-CD1 3.32Å; N247-L253 WeakPolarHBondContact ND2-CD1 3.41Å; D249-L253 PolarHBondContact O-N 3.07Å; D249-L253 VanDerWaalsContact O-N 3.15Å; L250-L253 WeakPolarHBondContact O-CB 3.47Å; L250-L253 PolarHBondContact O-N 2.64Å; L250-L253 VanDerWaalsContact O-N 3.12Å; R251-L253 VanDerWaalsContact C-N 3.3Å; L253-V255 PolarHBondContact O-N 2.8Å; L253-N256 PolarHBondContact O-N 2.75Å; L253-M257 HydrophobicContact CD1-CG 3.69Å; L253-M257 HydrophobicContact CG-CG 4.38Å; L253-M257 VanDerWaalsContact O-CB 3.26Å; L253-M257 WeakPolarHBondContact O-CB 3.29Å; L253-M257 VanDerWaalsContact O-CG 3.26Å; L253-M257 WeakPolarHBondContact O-CG 3.36Å; L253-M257 PolarHBondContact O-N 2.82Å; L253-I368 HydrophobicContact CD1-CD1 4.26Å
254A94.3Very high87.2Confident12 Ų1242.6 Ų42.610%0.09923%0.229CC..Hα-helixtrans-55-52.1177.600000112.4I163 E198 L250 R251 N256 M257 V258I163-A254 HydrophobicContact CD1-CB 4.35Å; E198-A254 HydrophobicContact CG-CB 4.09Å; E198-A254 WeakPolarHBondContact OE1-CA 3.46Å; E198-A254 WeakPolarHBondContact OE1-CB 3.42Å; E198-A254 PolarHBondContact OE1-N 2.75Å; L250-A254 PolarHBondContact O-N 3.26Å; R251-A254 PolarHBondContact O-N 3.28Å; A254-N256 VanDerWaalsContact C-N 3.26Å; A254-N256 PolarHBondContact O-N 3.37Å; A254-M257 PolarHBondContact O-N 2.91Å; A254-M257 VanDerWaalsContact O-N 3.09Å; A254-V258 WeakPolarHBondContact O-CB 3.2Å; A254-V258 PolarHBondContact O-N 3.08Å
255V93.7Very high88.6Confident91 Ų9141.4 Ų41.455%0.55222%0.216SC*.Hα-helixtrans-57.4-38.61791700000112.2R251 L253R251-V255 HydrophobicContact CG-CG2 4.45Å; R251-V255 VanDerWaalsContact O-CG2 3.31Å; R251-V255 WeakPolarHBondContact O-CG2 3.5Å; R251-V255 PolarHBondContact O-N 3.28Å; L253-V255 PolarHBondContact O-N 2.8Å
256N92.8Very high90.5Very high42 Ų4233.3 Ų33.323%0.22518%0.178CC..Hα-helixtrans-79.5-21.7-179.5-77.3-45.9000113.9N247 K252 L253 A254 K350N247-N256 PolarHBondContact OD1-ND2 2.86Å; K252-N256 WeakPolarHBondContact O-CB 3.36Å; K252-N256 PolarHBondContact O-N 2.98Å; K252-N256 PolarHBondContact O-ND2 2.9Å; L253-N256 PolarHBondContact O-N 2.75Å; A254-N256 VanDerWaalsContact C-N 3.26Å; A254-N256 PolarHBondContact O-N 3.37Å; N256-K350 HydrophobicContact CB-CG 4.47Å
257M95.1Very high92.3Very high0 Ų031.6 Ų31.60%017%0.169CC..Hα-helixtrans-114.8-20.6-168-65.3-57.9-62.800113.9L253 A254 P259 F266 T312 A314 I368 N370L253-M257 HydrophobicContact CD1-CG 3.69Å; L253-M257 HydrophobicContact CG-CG 4.38Å; L253-M257 VanDerWaalsContact O-CB 3.26Å; L253-M257 WeakPolarHBondContact O-CB 3.29Å; L253-M257 VanDerWaalsContact O-CG 3.26Å; L253-M257 WeakPolarHBondContact O-CG 3.36Å; L253-M257 PolarHBondContact O-N 2.82Å; A254-M257 PolarHBondContact O-N 2.91Å; A254-M257 VanDerWaalsContact O-N 3.09Å; M257-P259 VanDerWaalsContact O-CD 3.29Å; M257-P259 WeakPolarHBondContact O-CD 3.26Å; M257-F266 HydrophobicContact CB-CE1 3.66Å; M257-F266 HydrophobicContact CB-CZ 3.56Å; M257-T312 WeakPolarHBondContact CA-OG1 3.41Å; M257-T312 VanDerWaalsContact CE-OG1 3.29Å; M257-T312 WeakPolarHBondContact CE-OG1 3.37Å; M257-T312 PolarHBondContact O-OG1 3.25Å; M257-A314 HydrophobicContact CE-CB 3.98Å; M257-A314 HydrophobicContact SD-CB 3.64Å; M257-I368 HydrophobicContact CE-CB 4.21Å; M257-I368 HydrophobicContact CE-CG2 3.9Å; M257-I368 WeakPolarHBondContact CE-O 3.14Å; M257-N370 PolarHBondContact O-ND2 3.06Å
258V96.8Very high93.9Very high25 Ų2531.3 Ų31.315%0.15217%0.168CC..  trans-117.888.2-174.1-173.20000109.3A254 F260 H264 F266A254-V258 WeakPolarHBondContact O-CB 3.2Å; A254-V258 PolarHBondContact O-N 3.08Å; V258-F260 VanDerWaalsContact C-N 3.3Å; V258-F260 WeakPolarHBondContact CG1-O 3.37Å; V258-H264 HydrophobicContact CG1-CB 3.85Å; V258-H264 HydrophobicContact CG2-CB 4.01Å; V258-F266 HydrophobicContact CG2-CE1 3.94Å; V258-F266 HydrophobicContact CG2-CE2 4.49Å; V258-F266 HydrophobicContact CG2-CZ 3.46Å; V258-F266 VanDerWaalsContact CG2-CZ 3.46Å
259P95.3Very high95Very high35 Ų3529.7 Ų29.723%0.22716%0.155CC..SBendtrans-69.9-28.3177.126.5-32.7000112.6M257 L311 I345M257-P259 VanDerWaalsContact O-CD 3.29Å; M257-P259 WeakPolarHBondContact O-CD 3.26Å; P259-L311 HydrophobicContact CG-CB 4.12Å; P259-L311 HydrophobicContact CG-CD1 4.25Å; P259-I345 HydrophobicContact CB-CD1 3.79Å; P259-I345 HydrophobicContact CG-CD1 3.67Å
260F96.3Very high95.4Very high22 Ų2229.8 Ų29.810%0.09615%0.154CC..SBendtrans-126.8128.6177.7-54.6-78.7000109.4V258 R262 L263 W344 Y425 I441V258-F260 VanDerWaalsContact C-N 3.3Å; V258-F260 WeakPolarHBondContact CG1-O 3.37Å; F260-R262 VanDerWaalsContact C-N 3.27Å; F260-R262 PolarHBondContact O-N 2.81Å; F260-R262 VanDerWaalsContact O-N 3.12Å; F260-L263 HydrophobicContact CB-CB 4.25Å; F260-L263 HydrophobicContact CB-CD1 4.03Å; F260-L263 HydrophobicContact CB-CG 4.49Å; F260-L263 HydrophobicContact CD2-CD2 4.31Å; F260-L263 PolarHBondContact O-N 3.21Å; F260-W344 AromaticContact CE2-CH2 3.5Å; F260-W344 HydrophobicContact CE2-CH2 3.5Å; F260-W344 VanDerWaalsContact CE2-CH2 3.5Å; F260-W344 AromaticContact CE2-CZ3 3.64Å; F260-W344 HydrophobicContact CE2-CZ3 3.64Å; F260-W344 AromaticContact CZ-CH2 3.87Å; F260-W344 HydrophobicContact CZ-CH2 3.87Å; F260-W344 AromaticContact CZ-CZ3 3.67Å; F260-W344 HydrophobicContact CZ-CZ3 3.67Å; F260-Y425 HydrophobicContact CB-CE2 4.49Å; F260-Y425 AromaticContact CD1-CE1 3.87Å; F260-Y425 HydrophobicContact CD1-CE1 3.87Å; F260-Y425 HydrophobicContact CD1-CE2 4.07Å; F260-Y425 AromaticContact CD1-CZ 3.45Å; F260-Y425 VanDerWaalsContact CD1-CZ 3.45Å; F260-Y425 WeakPolarHBondContact CD1-OH 3.45Å; F260-Y425 HydrophobicContact CD2-CD1 4.31Å; F260-Y425 HydrophobicContact CD2-CD2 4.26Å; F260-Y425 HydrophobicContact CD2-CE1 4.16Å; F260-Y425 HydrophobicContact CD2-CE2 4.09Å; F260-Y425 HydrophobicContact CD2-CG 4.37Å; F260-Y425 HydrophobicContact CE1-CD1 4.23Å; F260-Y425 AromaticContact CE1-CE1 3.35Å; F260-Y425 HydrophobicContact CE1-CE1 3.35Å; F260-Y425 HydrophobicContact CE1-CE2 4.39Å; F260-Y425 AromaticContact CE1-CZ 3.44Å; F260-Y425 VanDerWaalsContact CE1-CZ 3.44Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.47Å; F260-Y425 AromaticContact CE2-CD1 3.79Å; F260-Y425 HydrophobicContact CE2-CD1 3.79Å; F260-Y425 AromaticContact CE2-CE1 3.74Å; F260-Y425 HydrophobicContact CE2-CE1 3.74Å; F260-Y425 HydrophobicContact CE2-CE2 4.47Å; F260-Y425 HydrophobicContact CE2-CG 4.21Å; F260-Y425 HydrophobicContact CG-CE1 4.24Å; F260-Y425 AromaticContact CG-CE2 3.9Å; F260-Y425 HydrophobicContact CG-CE2 3.9Å; F260-Y425 AromaticContact CG-CZ 3.75Å; F260-Y425 AromaticContact CZ-CD1 3.71Å; F260-Y425 HydrophobicContact CZ-CD1 3.71Å; F260-Y425 AromaticContact CZ-CE1 3.28Å; F260-Y425 HydrophobicContact CZ-CE1 3.28Å; F260-Y425 AromaticContact CZ-CZ 3.78Å; F260-I441 HydrophobicContact CE1-CD1 4.49Å; F260-I441 HydrophobicContact CZ-CD1 4.19Å
261P95.5Very high95.6Very high109 Ų10929.7 Ų29.771%0.70815%0.154SC*.THydrogen-bonded Turntrans-51.2-42.2-173-30.835.7000114L263 H264P261-L263 VanDerWaalsContact C-N 3.31Å; P261-L263 PolarHBondContact O-N 2.53Å; P261-H264 PolarHBondContact O-CD2 3.44Å
262R97.4Very high95.7Very high55 Ų5524.8 Ų24.821%0.20814%0.137CC..THydrogen-bonded Turntrans-75.2-18.4-177.9-68.117359.589.4-3.4113.8V193 E194 F260 H264 N414 L418 E421V193-R262 HydrophobicContact CG1-CB 4.48Å; V193-R262 HydrophobicContact CG1-CG 4.22Å; V193-R262 VanDerWaalsContact CG1-NH1 3.3Å; E194-R262 IonicContact OE1-NH1 3.83Å; E194-R262 PolarHBondContact OE1-NH1 2.99Å; F260-R262 VanDerWaalsContact C-N 3.27Å; F260-R262 PolarHBondContact O-N 2.81Å; F260-R262 VanDerWaalsContact O-N 3.12Å; R262-H264 VanDerWaalsContact C-N 3.3Å; R262-H264 PolarHBondContact O-N 3.21Å; R262-N414 PolarHBondContact NH1-OD1 2.9Å; R262-N414 PolarHBondContact NH2-OD1 3.18Å; R262-L418 HydrophobicContact CB-CD1 4.24Å; R262-L418 VanDerWaalsContact O-CD1 3.3Å; R262-L418 WeakPolarHBondContact O-CD1 3.38Å; R262-E421 WeakPolarHBondContact CB-OE2 3.4Å; R262-E421 WeakPolarHBondContact CD-OE2 3.3Å; R262-E421 IonicContact CZ-OE1 3.09Å; R262-E421 VanDerWaalsContact CZ-OE1 3.3Å; R262-E421 VanDerWaalsContact NE-CD 3.31Å; R262-E421 IonicContact NE-OE1 3.3Å; R262-E421 PolarHBondContact NE-OE1 3.19Å; R262-E421 IonicContact NE-OE2 3.6Å; R262-E421 PolarHBondContact NE-OE2 3.24Å; R262-E421 VanDerWaalsContact NE-OE2 3.12Å; R262-E421 IonicContact NH2-OE1 2.88Å; R262-E421 PolarHBondContact NH2-OE1 3Å; R262-E421 VanDerWaalsContact NH2-OE1 3.09Å
263L97.7Very high95.8Very high0 Ų021.1 Ų21.10%012%0.121CC..  trans-97.449.7-178.5-7166.2000110.1F260 P261 L311 N370 E421 Y422 Y425F260-L263 HydrophobicContact CB-CB 4.25Å; F260-L263 HydrophobicContact CB-CD1 4.03Å; F260-L263 HydrophobicContact CB-CG 4.49Å; F260-L263 HydrophobicContact CD2-CD2 4.31Å; F260-L263 PolarHBondContact O-N 3.21Å; P261-L263 VanDerWaalsContact C-N 3.31Å; P261-L263 PolarHBondContact O-N 2.53Å; L263-L311 HydrophobicContact CB-CD1 4.31Å; L263-L311 HydrophobicContact CD2-CD1 3.78Å; L263-N370 PolarHBondContact O-ND2 3.38Å; L263-N370 PolarHBondContact O-OD1 3.34Å; L263-E421 HydrophobicContact CD1-CB 4.17Å; L263-Y422 WeakPolarHBondContact CA-OH 3.48Å; L263-Y422 HydrophobicContact CB-CE1 3.81Å; L263-Y422 HydrophobicContact CD2-CD1 3.55Å; L263-Y422 HydrophobicContact CD2-CE1 3.69Å; L263-Y422 HydrophobicContact CD2-CG 4.22Å; L263-Y422 HydrophobicContact CG-CD1 3.77Å; L263-Y422 HydrophobicContact CG-CD2 4.43Å; L263-Y422 HydrophobicContact CG-CE1 3.53Å; L263-Y422 HydrophobicContact CG-CE2 4.16Å; L263-Y422 HydrophobicContact CG-CG 4.25Å; L263-Y425 HydrophobicContact CD1-CD2 4.43Å; L263-Y425 HydrophobicContact CD1-CE2 4.32Å; L263-Y425 HydrophobicContact CD2-CD2 3.55Å; L263-Y425 HydrophobicContact CD2-CE2 4.17Å; L263-Y425 HydrophobicContact CD2-CG 4.32Å
264H97.9Very high95.7Very high2 Ų221.6 Ų21.61%0.00913%0.125CC..  trans-95.311.3-17861.856.3000114.5L192 V193 T196 D197 T199 V258 P261 R262L192-H264 PolarHBondContact O-CE1 3.07Å; L192-H264 VanDerWaalsContact O-CE1 3.26Å; L192-H264 PolarHBondContact O-NE2 3.24Å; L192-H264 VanDerWaalsContact O-NE2 3.13Å; V193-H264 PolarHBondContact O-NE2 2.64Å; T196-H264 PolarHBondContact O-CD2 3.38Å; T196-H264 PolarHBondContact O-NE2 3.39Å; T196-H264 VanDerWaalsContact O-NE2 3.11Å; T196-H264 PolarHBondContact OG1-CE1 3.16Å; T196-H264 PolarHBondContact OG1-NE2 3.3Å; D197-H264 VanDerWaalsContact O-CB 3.22Å; D197-H264 WeakPolarHBondContact O-CB 3.42Å; T199-H264 PolarHBondContact N-O 2.96Å; V258-H264 HydrophobicContact CG1-CB 3.85Å; V258-H264 HydrophobicContact CG2-CB 4.01Å; P261-H264 PolarHBondContact O-CD2 3.44Å; R262-H264 VanDerWaalsContact C-N 3.3Å; R262-H264 PolarHBondContact O-N 3.21Å
265F98.3Very high95.4Very high2 Ų221.6 Ų21.61%0.00912%0.124CC..EExtended strand (participates in β ladder)trans-89.4116.3-176.7-63.8-95.1000111.1V189 L192 V193 T199 M374 F378 L418V189-F265 HydrophobicContact CG1-CZ 4.47Å; L192-F265 HydrophobicContact CB-CE1 4.23Å; L192-F265 HydrophobicContact CB-CZ 4.21Å; V193-F265 HydrophobicContact CG2-CE2 3.83Å; V193-F265 HydrophobicContact CG2-CZ 3.73Å; T199-F265 HydrophobicContact CG2-CD1 3.48Å; T199-F265 VanDerWaalsContact CG2-CD1 3.48Å; T199-F265 HydrophobicContact CG2-CE1 3.69Å; T199-F265 CarbonylContact O-C 3.36Å; T199-F265 WeakPolarHBondContact O-CA 3.36Å; F265-M374 HydrophobicContact CB-CE 4.07Å; F265-M374 HydrophobicContact CB-CG 3.91Å; F265-M374 WeakPolarHBondContact O-CE 3.25Å; F265-F378 HydrophobicContact CB-CZ 4.12Å; F265-F378 HydrophobicContact CD1-CE1 4.24Å; F265-F378 AromaticContact CD1-CZ 3.69Å; F265-F378 HydrophobicContact CD1-CZ 3.69Å; F265-F378 HydrophobicContact CD2-CE2 4.36Å; F265-F378 AromaticContact CD2-CZ 3.86Å; F265-F378 HydrophobicContact CD2-CZ 3.86Å; F265-F378 HydrophobicContact CE1-CE1 4.2Å; F265-F378 AromaticContact CE1-CZ 3.97Å; F265-F378 HydrophobicContact CE1-CZ 3.97Å; F265-F378 HydrophobicContact CE2-CZ 4.13Å; F265-F378 HydrophobicContact CG-CE2 4.37Å; F265-F378 AromaticContact CG-CZ 3.62Å; F265-F378 HydrophobicContact CG-CZ 3.62Å; F265-F378 HydrophobicContact CZ-CZ 4.18Å; F265-L418 HydrophobicContact CD2-CD2 4.46Å; F265-L418 HydrophobicContact CE2-CD1 4.5Å; F265-L418 HydrophobicContact CE2-CD2 3.92Å; F265-L418 HydrophobicContact CZ-CD2 4.45Å
266F97.7Very high94.9Very high0 Ų026.5 Ų26.50%013%0.133CC..EExtended strand (participates in β ladder)trans-99.6144.1-177.1-56.6-47.2000112.7E198 T199 F200 C201 M257 V258 P268 I368 N370 M374E198-F266 HydrophobicContact CB-CE2 3.83Å; E198-F266 HydrophobicContact CG-CE2 3.96Å; T199-F266 PolarHBondContact O-N 3.2Å; F200-F266 HydrophobicContact CD1-CB 3.96Å; F200-F266 HydrophobicContact CD1-CD2 4.15Å; F200-F266 HydrophobicContact CD2-CD2 4.28Å; F200-F266 HydrophobicContact CE1-CB 4.15Å; F200-F266 AromaticContact CE1-CD2 3.82Å; F200-F266 HydrophobicContact CE1-CD2 3.82Å; F200-F266 HydrophobicContact CE1-CG 4.36Å; F200-F266 AromaticContact CE2-CD2 3.93Å; F200-F266 HydrophobicContact CE2-CD2 3.93Å; F200-F266 HydrophobicContact CE2-CE2 4.37Å; F200-F266 HydrophobicContact CG-CD2 4.38Å; F200-F266 AromaticContact CZ-CD2 3.69Å; F200-F266 HydrophobicContact CZ-CD2 3.69Å; F200-F266 HydrophobicContact CZ-CE2 4.2Å; C201-F266 PolarHBondContact N-O 3.46Å; M257-F266 HydrophobicContact CB-CE1 3.66Å; M257-F266 HydrophobicContact CB-CZ 3.56Å; V258-F266 HydrophobicContact CG2-CE1 3.94Å; V258-F266 HydrophobicContact CG2-CE2 4.49Å; V258-F266 HydrophobicContact CG2-CZ 3.46Å; V258-F266 VanDerWaalsContact CG2-CZ 3.46Å; F266-P268 VanDerWaalsContact O-CD 3.3Å; F266-P268 WeakPolarHBondContact O-CD 3.31Å; F266-I368 HydrophobicContact CB-CG2 3.81Å; F266-I368 HydrophobicContact CD1-CG2 4.05Å; F266-I368 HydrophobicContact CD2-CG2 4.05Å; F266-I368 HydrophobicContact CG-CG2 3.71Å; F266-N370 HydrophobicContact CD1-CB 3.91Å; F266-N370 HydrophobicContact CE1-CB 3.97Å; F266-M374 VanDerWaalsContact C-CE 3.42Å; F266-M374 WeakPolarHBondContact O-CE 3.35Å
267M96Very high94.4Very high0 Ų027.3 Ų27.30%015%0.15CC..EExtended strand (participates in β ladder)trans-96.3103.7166-54.7176.2-59.500108.4A301 C303 P305 Y310 F367 G369 M374M267-A301 HydrophobicContact CB-CB 4.22Å; M267-A301 HydrophobicContact CG-CB 4Å; M267-C303 HydrophobicContact SD-CB 4.44Å; M267-C303 PolarHBondContact SD-SG 3.31Å; M267-P305 HydrophobicContact CE-CB 4.48Å; M267-P305 HydrophobicContact CE-CG 4.04Å; M267-P305 HydrophobicContact SD-CG 4.47Å; M267-Y310 HydrophobicContact CE-CD1 4.34Å; M267-Y310 HydrophobicContact CE-CE1 3.72Å; M267-F367 WeakPolarHBondContact O-CD1 3.36Å; M267-G369 PolarHBondContact N-O 2.85Å; M267-G369 PolarHBondContact O-N 2.84Å; M267-M374 HydrophobicContact CB-CE 4.34Å; M267-M374 HydrophobicContact CG-CE 3.35Å; M267-M374 HydrophobicContact CG-SD 4.34Å
268P97Very high93.9Very high0 Ų028.9 Ų28.90%016%0.162CC..EExtended strand (participates in β ladder)trans-82.8158.8175.931.5-28.9000111.6F200 C201 I202 T232 F266 M300 F367F200-P268 HydrophobicContact CB-CG 4.5Å; F200-P268 HydrophobicContact CD1-CB 4.12Å; F200-P268 HydrophobicContact CD1-CG 4.38Å; C201-P268 WeakPolarHBondContact O-CD 3.46Å; I202-P268 HydrophobicContact CG1-CG 4.43Å; T232-P268 HydrophobicContact CG2-CB 3.58Å; T232-P268 HydrophobicContact CG2-CG 4.29Å; F266-P268 VanDerWaalsContact O-CD 3.3Å; F266-P268 WeakPolarHBondContact O-CD 3.31Å; P268-M300 HydrophobicContact CG-CB 4.16Å; P268-M300 WeakPolarHBondContact O-CB 3.31Å; P268-M300 PolarHBondContact O-N 2.9Å; P268-F367 CarbonylContact C-O 3.54Å; P268-F367 VanDerWaalsContact CA-O 3.25Å; P268-F367 WeakPolarHBondContact CA-O 3.45Å
269G95.8Very high93.1Very high2 Ų233 Ų332%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-150.6162174.100000111.5T366 F367G269-T366 WeakPolarHBondContact O-CA 3.37Å; G269-F367 PolarHBondContact N-O 3.33Å; G269-F367 PolarHBondContact O-N 2.8Å
270F96.3Very high92.4Very high16 Ų1639.8 Ų39.87%0.0721%0.208CC..EExtended strand (participates in β ladder)trans-138.1139.4179.1-177.7-90.7000110.1L228 A231 L273 M300 L361L228-F270 HydrophobicContact CD1-CB 4.21Å; L228-F270 HydrophobicContact CD1-CD1 4.4Å; A231-F270 HydrophobicContact CB-CD2 4.14Å; A231-F270 HydrophobicContact CB-CE2 3.97Å; A231-F270 HydrophobicContact CB-CZ 4.21Å; F270-L273 HydrophobicContact CD1-CD2 4.34Å; F270-L273 VanDerWaalsContact O-CD1 3.26Å; F270-L273 WeakPolarHBondContact O-CD1 3.43Å; F270-L273 VanDerWaalsContact O-CG 3.25Å; F270-L273 WeakPolarHBondContact O-CG 3.41Å; F270-M300 HydrophobicContact CB-CE 3.78Å; F270-L361 HydrophobicContact CE1-CD1 4.25Å; F270-L361 HydrophobicContact CZ-CD1 3.8Å
271A96.4Very high91.7Very high0 Ų047.9 Ų47.90%024%0.239CC..EExtended strand (participates in β ladder)trans-140148.2168.300000109.8L289 Q292 S364 V365A271-L289 HydrophobicContact CB-CD2 4.16Å; A271-Q292 HydrophobicContact CB-CB 3.74Å; A271-S364 CarbonylContact O-C 3.56Å; A271-S364 VanDerWaalsContact O-CA 3.23Å; A271-S364 WeakPolarHBondContact O-CA 3.25Å; A271-S364 VanDerWaalsContact O-CB 3.24Å; A271-S364 WeakPolarHBondContact O-CB 3.42Å; A271-V365 HydrophobicContact CB-CG1 3.8Å; A271-V365 PolarHBondContact N-O 2.93Å; A271-V365 PolarHBondContact O-N 3.33Å
272P95.4Very high90.9Very high14 Ų1449 Ų499%0.09123%0.229CC..  cis-83.8143.610.233.2-35000114L284 L289 L361P272-L284 HydrophobicContact CB-CD2 3.4Å; P272-L284 HydrophobicContact CG-CD1 3.97Å; P272-L284 HydrophobicContact CG-CD2 3.63Å; P272-L284 HydrophobicContact CG-CG 4.47Å; P272-L289 HydrophobicContact CB-CD2 3.91Å; P272-L289 HydrophobicContact CG-CD2 4.24Å; P272-L361 HydrophobicContact CG-CD2 4.25Å
273L93.3Very high90.2Very high10 Ų1050.8 Ų50.85%0.05225%0.25CS..  trans-108.985.1168.9-67.3169.2000108.9I210 T214 L215 L228 F270 N298I210-L273 HydrophobicContact CG2-CD1 3.79Å; I210-L273 HydrophobicContact CG2-CD2 3.91Å; I210-L273 HydrophobicContact CG2-CG 4.4Å; T214-L273 HydrophobicContact CG2-CB 3.69Å; L215-L273 HydrophobicContact CD2-CB 4.18Å; L215-L273 HydrophobicContact CD2-CD2 4.19Å; L228-L273 HydrophobicContact CD1-CD2 3.72Å; F270-L273 HydrophobicContact CD1-CD2 4.34Å; F270-L273 VanDerWaalsContact O-CD1 3.26Å; F270-L273 WeakPolarHBondContact O-CD1 3.43Å; F270-L273 VanDerWaalsContact O-CG 3.25Å; F270-L273 WeakPolarHBondContact O-CG 3.41Å; L273-N298 HydrophobicContact CD1-CB 3.62Å; L273-N298 WeakPolarHBondContact CD1-OD1 3.26Å
274T89.7Confident89.8Confident16 Ų1653.2 Ų53.210%0.09826%0.263CS..  trans-119.6123.6-178-57.40000110.7Q279T274-Q279 HydrophobicContact CG2-CG 3.91Å; T274-Q279 PolarHBondContact O-NE2 3.39Å
275S88.4Confident89.6Confident12 Ų1255.9 Ų55.98%0.08428%0.28CS..  trans-54.7144.9174.470.70000112.1L215 G277 S278 Q279L215-S275 VanDerWaalsContact O-CB 3.25Å; L215-S275 WeakPolarHBondContact O-CB 3.39Å; S275-G277 VanDerWaalsContact C-N 3.25Å; S275-G277 PolarHBondContact O-N 3.31Å; S275-G277 VanDerWaalsContact O-N 3.13Å; S275-S278 PolarHBondContact O-N 3.14Å; S275-S278 WeakPolarHBondContact OG-CB 3.5Å; S275-S278 PolarHBondContact OG-OG 3.16Å; S275-S278 VanDerWaalsContact OG-OG 3.04Å; S275-Q279 PolarHBondContact O-N 3.44Å
276R83.6Confident89.5Confident195 Ų19555.9 Ų55.974%0.73628%0.28SS*.G310 helixtrans-51.2-42-176.1-65.9-177.2-178.2177.33.1113.2S278 Q279R276-S278 VanDerWaalsContact C-N 3.27Å; R276-S278 PolarHBondContact O-N 3.36Å; R276-Q279 PolarHBondContact O-N 3.06Å
277G82.2Confident89.4Confident58 Ų5858 Ų5860%0.59829%0.294SS*.G310 helixtrans-70.5-18179.400000114.8S275 Y281S275-G277 VanDerWaalsContact C-N 3.25Å; S275-G277 PolarHBondContact O-N 3.31Å; S275-G277 VanDerWaalsContact O-N 3.13Å; G277-Y281 WeakPolarHBondContact O-CD2 3.33Å; G277-Y281 VanDerWaalsContact O-CE2 3.31Å; G277-Y281 WeakPolarHBondContact O-CE2 3.24Å
278S84.5Confident89.3Confident34 Ų3459.5 Ų59.524%0.23830%0.301CS..G310 helixtrans-99.3-14.5179.5-57.10000113.5S275 R276 Q280 Y281 R282S275-S278 PolarHBondContact O-N 3.14Å; S275-S278 WeakPolarHBondContact OG-CB 3.5Å; S275-S278 PolarHBondContact OG-OG 3.16Å; S275-S278 VanDerWaalsContact OG-OG 3.04Å; R276-S278 VanDerWaalsContact C-N 3.27Å; R276-S278 PolarHBondContact O-N 3.36Å; S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 PolarHBondContact O-N 3.29Å; S278-Y281 PolarHBondContact O-N 2.86Å; S278-Y281 VanDerWaalsContact O-N 3.07Å; S278-R282 PolarHBondContact O-N 3.14Å
279Q80.4Confident89.3Confident111 Ų11159.5 Ų59.552%0.51930%0.301SS..G310 helixtrans-58.2-37.7-174.2-76.2178.6-9.100113.4T274 S275 R276 Y281T274-Q279 HydrophobicContact CG2-CG 3.91Å; T274-Q279 PolarHBondContact O-NE2 3.39Å; S275-Q279 PolarHBondContact O-N 3.44Å; R276-Q279 PolarHBondContact O-N 3.06Å; Q279-Y281 PolarHBondContact O-N 2.99Å
280Q80.3Confident89.3Confident178 Ų17859.5 Ų59.583%0.83230%0.3SS*.G310 helixtrans-72.7-17-179.5-65.5-179.1-1.700113.7S278S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 PolarHBondContact O-N 3.29Å
281Y81.5Confident89.2Confident192 Ų19265.7 Ų65.775%0.75333%0.329SS*.G310 helixtrans-103.8-1.6-173.9-56.7-78.3000113.2G277 S278 Q279G277-Y281 WeakPolarHBondContact O-CD2 3.33Å; G277-Y281 VanDerWaalsContact O-CE2 3.31Å; G277-Y281 WeakPolarHBondContact O-CE2 3.24Å; S278-Y281 PolarHBondContact O-N 2.86Å; S278-Y281 VanDerWaalsContact O-N 3.07Å; Q279-Y281 PolarHBondContact O-N 2.99Å
282R78.8Confident89.1Confident131 Ų13166.6 Ų66.649%0.49433%0.334SS..  trans-113.5132.2-178.9-71.9-159.7178.5-169.25.5111.9S278 E288S278-R282 PolarHBondContact O-N 3.14Å; R282-E288 WeakPolarHBondContact CD-OE1 3.38Å; R282-E288 IonicContact CZ-OE1 3.75Å; R282-E288 IonicContact NE-OE1 3.94Å; R282-E288 IonicContact NH1-OE1 3.16Å; R282-E288 PolarHBondContact NH1-OE1 3.24Å
283S83.2Confident89Confident93 Ų9366.1 Ų66.165%0.6533%0.33SS*.  trans-91.8109.5167.455.80000109.4T285S283-T285 PolarHBondContact O-N 3.26Å
284L89.7Confident89Confident52 Ų5267.1 Ų67.127%0.27233%0.334SS..  trans-65.4126.9174.9-67.7168.5000110.4P272 L289 M363P272-L284 HydrophobicContact CB-CD2 3.4Å; P272-L284 HydrophobicContact CG-CD1 3.97Å; P272-L284 HydrophobicContact CG-CD2 3.63Å; P272-L284 HydrophobicContact CG-CG 4.47Å; L284-L289 HydrophobicContact CD2-CD2 4.35Å; L284-M363 HydrophobicContact CB-CG 3.91Å; L284-M363 HydrophobicContact CB-SD 4.05Å
285T94Very high89.2Confident58 Ų5869.6 Ų69.636%0.35635%0.347SS..  trans-135.8160.9177.463.20000110.5S283 E288 L289S283-T285 PolarHBondContact O-N 3.26Å; T285-E288 PolarHBondContact O-N 2.76Å; T285-E288 PolarHBondContact OG1-N 3.24Å; T285-L289 WeakPolarHBondContact O-CG 3.39Å; T285-L289 PolarHBondContact O-N 3.48Å
286V95.6Very high89.3Confident2 Ų270.1 Ų70.11%0.01235%0.352CS..Hα-helixtrans-56.8-48.2176.4177.80000111.6E288 L289 T290 F317 M321 E325 V326 Q329 M363V286-E288 VanDerWaalsContact C-N 3.32Å; V286-E288 PolarHBondContact O-N 3.34Å; V286-L289 PolarHBondContact O-N 3.36Å; V286-T290 PolarHBondContact O-N 3.03Å; V286-T290 PolarHBondContact O-OG1 3.15Å; V286-F317 HydrophobicContact CG1-CE1 4.07Å; V286-F317 HydrophobicContact CG1-CZ 4.45Å; V286-M321 HydrophobicContact CG2-CB 4.1Å; V286-M321 HydrophobicContact CG2-CG 4.4Å; V286-M321 HydrophobicContact CG2-SD 3.89Å; V286-E325 HydrophobicContact CB-CG 4.09Å; V286-E325 HydrophobicContact CG1-CG 4.35Å; V286-E325 HydrophobicContact CG2-CG 4.31Å; V286-V326 HydrophobicContact CG1-CB 4.41Å; V286-V326 HydrophobicContact CG1-CG2 3.83Å; V286-V326 HydrophobicContact CG2-CG2 4.17Å; V286-Q329 HydrophobicContact CG1-CB 4.22Å; V286-Q329 HydrophobicContact CG1-CG 4.02Å; V286-M363 HydrophobicContact CG2-CE 3.76Å
287P95.3Very high89.8Confident45 Ų4568 Ų6829%0.29235%0.348SS..Hα-helixtrans-57.8-39.9176.1-24.132.8000114Q291 Q329P287-Q291 WeakPolarHBondContact O-CB 3.42Å; P287-Q291 PolarHBondContact O-N 3.15Å; P287-Q329 HydrophobicContact CB-CG 4.42Å; P287-Q329 HydrophobicContact CG-CG 3.96Å
288E94Very high90.3Very high31 Ų3165.7 Ų65.715%0.14532%0.322CS..Hα-helixtrans-65.9-43.9177.7-174.1-176.7-178.700111.4R282 T285 V286 Q291 Q292R282-E288 WeakPolarHBondContact CD-OE1 3.38Å; R282-E288 IonicContact CZ-OE1 3.75Å; R282-E288 IonicContact NE-OE1 3.94Å; R282-E288 IonicContact NH1-OE1 3.16Å; R282-E288 PolarHBondContact NH1-OE1 3.24Å; T285-E288 PolarHBondContact O-N 2.76Å; T285-E288 PolarHBondContact OG1-N 3.24Å; V286-E288 VanDerWaalsContact C-N 3.32Å; V286-E288 PolarHBondContact O-N 3.34Å; E288-Q291 PolarHBondContact O-N 3.48Å; E288-Q292 WeakPolarHBondContact O-CG 3.43Å; E288-Q292 PolarHBondContact O-N 3.4Å; E288-Q292 PolarHBondContact OE1-NE2 3.14Å
289L96.3Very high90.7Very high0 Ų064.2 Ų64.20%031%0.311CS..Hα-helixtrans-61.3-49.1176.4-72.5-174.7000111.1A271 P272 L284 T285 V286 Q291 Q292 M293 F317 M363 V365A271-L289 HydrophobicContact CB-CD2 4.16Å; P272-L289 HydrophobicContact CB-CD2 3.91Å; P272-L289 HydrophobicContact CG-CD2 4.24Å; L284-L289 HydrophobicContact CD2-CD2 4.35Å; T285-L289 WeakPolarHBondContact O-CG 3.39Å; T285-L289 PolarHBondContact O-N 3.48Å; V286-L289 PolarHBondContact O-N 3.36Å; L289-Q291 VanDerWaalsContact C-N 3.29Å; L289-Q291 PolarHBondContact O-N 2.9Å; L289-Q292 PolarHBondContact O-N 3.34Å; L289-M293 VanDerWaalsContact O-CB 3.29Å; L289-M293 WeakPolarHBondContact O-CB 3.46Å; L289-M293 PolarHBondContact O-N 3.21Å; L289-F317 HydrophobicContact CB-CE1 4.18Å; L289-F317 HydrophobicContact CD1-CD1 4.31Å; L289-F317 HydrophobicContact CD1-CE1 4.4Å; L289-M363 HydrophobicContact CD1-CB 4.25Å; L289-M363 HydrophobicContact CD1-CE 3.9Å; L289-M363 HydrophobicContact CD1-CG 3.91Å; L289-M363 HydrophobicContact CD1-SD 4.3Å; L289-V365 HydrophobicContact CB-CB 4.48Å; L289-V365 HydrophobicContact CB-CG1 3.83Å; L289-V365 HydrophobicContact CD1-CB 4.5Å
290T95.8Very high91.4Very high1 Ų159 Ų591%0.00629%0.287CS..Hα-helixtrans-60.4-39.6178.7-51.60000111.4V286 M293 F294 Q329 M330 V333V286-T290 PolarHBondContact O-N 3.03Å; V286-T290 PolarHBondContact O-OG1 3.15Å; T290-M293 HydrophobicContact CG2-CE 4.38Å; T290-M293 WeakPolarHBondContact O-CB 3.48Å; T290-M293 PolarHBondContact O-N 3.46Å; T290-F294 HydrophobicContact CG2-CD2 4.3Å; T290-F294 HydrophobicContact CG2-CE2 4.35Å; T290-F294 PolarHBondContact O-N 2.89Å; T290-Q329 HydrophobicContact CG2-CB 4.47Å; T290-M330 HydrophobicContact CG2-SD 3.76Å; T290-V333 HydrophobicContact CG2-CB 4.33Å; T290-V333 HydrophobicContact CG2-CG2 3.67Å
291Q94.2Very high91.9Very high147 Ų14750.6 Ų50.669%0.68725%0.248SC*.Hα-helixtrans-64.4-45176-174.7179.413.700112.2P287 E288 L289 M293 D295P287-Q291 WeakPolarHBondContact O-CB 3.42Å; P287-Q291 PolarHBondContact O-N 3.15Å; E288-Q291 PolarHBondContact O-N 3.48Å; L289-Q291 VanDerWaalsContact C-N 3.29Å; L289-Q291 PolarHBondContact O-N 2.9Å; Q291-M293 VanDerWaalsContact C-N 3.29Å; Q291-M293 PolarHBondContact O-N 3.27Å; Q291-D295 PolarHBondContact O-N 3.04Å
292Q94.7Very high92.3Very high19 Ų1943.2 Ų43.29%0.08923%0.227CC..Hα-helixtrans-64.9-36.5176.9-73.8-175.63800111.7A271 E288 L289 F294 D295 N298A271-Q292 HydrophobicContact CB-CB 3.74Å; E288-Q292 WeakPolarHBondContact O-CG 3.43Å; E288-Q292 PolarHBondContact O-N 3.4Å; E288-Q292 PolarHBondContact OE1-NE2 3.14Å; L289-Q292 PolarHBondContact O-N 3.34Å; Q292-F294 VanDerWaalsContact C-N 3.29Å; Q292-F294 PolarHBondContact O-N 3.33Å; Q292-D295 PolarHBondContact O-N 3.37Å; Q292-N298 WeakPolarHBondContact O-CB 3.24Å; Q292-N298 PolarHBondContact O-ND2 3.18Å
293M94Very high92.7Very high4 Ų437.3 Ų37.32%0.0221%0.206CC..Hα-helixtrans-59.9-37.4-179.1-166.5-176.365.300112.6L289 T290 Q291 M299 A315 M330 V365 F367L289-M293 VanDerWaalsContact O-CB 3.29Å; L289-M293 WeakPolarHBondContact O-CB 3.46Å; L289-M293 PolarHBondContact O-N 3.21Å; T290-M293 HydrophobicContact CG2-CE 4.38Å; T290-M293 WeakPolarHBondContact O-CB 3.48Å; T290-M293 PolarHBondContact O-N 3.46Å; Q291-M293 VanDerWaalsContact C-N 3.29Å; Q291-M293 PolarHBondContact O-N 3.27Å; M293-M299 WeakPolarHBondContact O-CE 3.45Å; M293-A315 HydrophobicContact CE-CB 3.75Å; M293-A315 HydrophobicContact SD-CB 3.54Å; M293-A315 VanDerWaalsContact SD-CB 3.54Å; M293-M330 HydrophobicContact CE-CE 3.85Å; M293-M330 HydrophobicContact CE-SD 3.59Å; M293-M330 VanDerWaalsContact CE-SD 3.59Å; M293-V365 HydrophobicContact CB-CG1 4.06Å; M293-V365 HydrophobicContact CG-CG1 4.16Å; M293-V365 HydrophobicContact CG-CG2 4.45Å; M293-V365 HydrophobicContact SD-CB 4.44Å; M293-V365 HydrophobicContact SD-CG1 4.12Å; M293-V365 HydrophobicContact SD-CG2 3.44Å; M293-V365 WeakPolarHBondContact SD-CG2 3.25Å; M293-F367 HydrophobicContact CE-CD2 4.12Å; M293-F367 HydrophobicContact CG-CB 3.54Å; M293-F367 HydrophobicContact CG-CD2 3.63Å; M293-F367 HydrophobicContact CG-CG 3.92Å; M293-F367 HydrophobicContact SD-CB 4.19Å; M293-F367 HydrophobicContact SD-CD2 3.9Å
294F92.9Very high93Very high31 Ų3134.4 Ų34.414%0.13618%0.183CC..THydrogen-bonded Turntrans-95.87.6178.7-77.5-82.9000113.9T290 Q292 A296 Y310 V313 M330 V333 F341 F367T290-F294 HydrophobicContact CG2-CD2 4.3Å; T290-F294 HydrophobicContact CG2-CE2 4.35Å; T290-F294 PolarHBondContact O-N 2.89Å; Q292-F294 VanDerWaalsContact C-N 3.29Å; Q292-F294 PolarHBondContact O-N 3.33Å; F294-A296 PolarHBondContact O-N 2.83Å; F294-Y310 HydrophobicContact CD1-CE2 4.22Å; F294-Y310 HydrophobicContact CE1-CE2 4.18Å; F294-V313 HydrophobicContact CE1-CG1 4.46Å; F294-V313 HydrophobicContact CE1-CG2 4.48Å; F294-V313 HydrophobicContact CZ-CG1 4.1Å; F294-M330 HydrophobicContact CE2-CE 4.01Å; F294-M330 HydrophobicContact CE2-SD 4.23Å; F294-M330 HydrophobicContact CZ-CE 4.17Å; F294-V333 HydrophobicContact CB-CG1 4.42Å; F294-V333 HydrophobicContact CD1-CG1 4.27Å; F294-V333 HydrophobicContact CD2-CB 4.37Å; F294-V333 HydrophobicContact CD2-CG1 3.44Å; F294-V333 VanDerWaalsContact CD2-CG1 3.44Å; F294-V333 HydrophobicContact CE1-CG1 4.38Å; F294-V333 HydrophobicContact CE2-CB 4.22Å; F294-V333 HydrophobicContact CE2-CG1 3.52Å; F294-V333 HydrophobicContact CG-CG1 3.81Å; F294-V333 HydrophobicContact CZ-CG1 4.01Å; F294-F341 AromaticContact CE1-CZ 3.86Å; F294-F341 HydrophobicContact CE1-CZ 3.86Å; F294-F341 HydrophobicContact CZ-CZ 4.17Å; F294-F367 HydrophobicContact CD1-CE2 4.35Å; F294-F367 HydrophobicContact CE1-CE2 4Å; F294-F367 HydrophobicContact CZ-CE2 4.33Å
295D93Very high93Very high67 Ų6732.2 Ų32.236%0.35817%0.172SC..  trans-79.3118.9171-169.3-20.3000109.1Q291 Q292 K297 N298Q291-D295 PolarHBondContact O-N 3.04Å; Q292-D295 PolarHBondContact O-N 3.37Å; D295-K297 PolarHBondContact O-N 3.2Å; D295-K297 WeakPolarHBondContact OD1-CB 2.97Å; D295-K297 WeakPolarHBondContact OD1-CG 3.17Å; D295-K297 PolarHBondContact OD1-N 3.43Å; D295-N298 WeakPolarHBondContact O-CB 3.31Å; D295-N298 PolarHBondContact O-N 2.93Å
296A92.1Very high92.8Very high24 Ų2436.5 Ų36.520%0.19818%0.181CC..G310 helixtrans-52.8-28.1177.900000112.9F294 N298 M299F294-A296 PolarHBondContact O-N 2.83Å; A296-N298 PolarHBondContact O-N 3.41Å; A296-M299 PolarHBondContact O-N 3.12Å
297K92.3Very high92.6Very high151 Ų15142.7 Ų42.766%0.65721%0.21SC*.G310 helixtrans-70.2-14.1177.8-62.4173.2-173.6169.40114.3I210 D295I210-K297 WeakPolarHBondContact CG1-O 3.36Å; D295-K297 PolarHBondContact O-N 3.2Å; D295-K297 WeakPolarHBondContact OD1-CB 2.97Å; D295-K297 WeakPolarHBondContact OD1-CG 3.17Å; D295-K297 PolarHBondContact OD1-N 3.43Å
298N93Very high92.6Very high9 Ų940.8 Ų40.85%0.04820%0.199CC..G310 helixtrans-103.7-1.9-178.6-65.9-18.6000112.4L273 Q292 D295 A296L273-N298 HydrophobicContact CD1-CB 3.62Å; L273-N298 WeakPolarHBondContact CD1-OD1 3.26Å; Q292-N298 WeakPolarHBondContact O-CB 3.24Å; Q292-N298 PolarHBondContact O-ND2 3.18Å; D295-N298 WeakPolarHBondContact O-CB 3.31Å; D295-N298 PolarHBondContact O-N 2.93Å; A296-N298 PolarHBondContact O-N 3.41Å
299M94Very high92.6Very high3 Ų343.6 Ų43.62%0.01521%0.208CC..BIsolated β-bridgetrans-78.2142.9175-56.5-56.7-175.600110.1M293 A296 A301 F367M293-M299 WeakPolarHBondContact O-CE 3.45Å; A296-M299 PolarHBondContact O-N 3.12Å; M299-A301 VanDerWaalsContact C-N 3.29Å; M299-F367 HydrophobicContact CE-CD1 3.65Å; M299-F367 HydrophobicContact CE-CE1 3.41Å; M299-F367 VanDerWaalsContact CE-CE1 3.41Å; M299-F367 HydrophobicContact CE-CE2 4.36Å; M299-F367 HydrophobicContact CE-CG 4.23Å; M299-F367 HydrophobicContact CE-CZ 3.81Å; M299-F367 HydrophobicContact SD-CD1 3.37Å; M299-F367 WeakPolarHBondContact SD-CD1 3.33Å; M299-F367 HydrophobicContact SD-CE1 3.56Å; M299-F367 VanDerWaalsContact SD-CE1 3.56Å; M299-F367 HydrophobicContact SD-CG 4.22Å
300M94.5Very high92.7Very high0 Ų043.9 Ų43.90%021%0.209CC..SBendtrans-88.84.7-178.7-57.9-173.4-177.900113.1D203 L207 I210 L228 T232 P268 F270D203-M300 WeakPolarHBondContact CB-O 3.47Å; D203-M300 PolarHBondContact N-O 3.18Å; L207-M300 HydrophobicContact CD2-CB 4.17Å; L207-M300 HydrophobicContact CD2-CG 3.9Å; L207-M300 HydrophobicContact CD2-SD 3.87Å; I210-M300 HydrophobicContact CD1-CG 4.37Å; L228-M300 HydrophobicContact CD1-CE 3.38Å; L228-M300 HydrophobicContact CD2-CE 3.94Å; L228-M300 HydrophobicContact CG-CE 3.35Å; L228-M300 HydrophobicContact CG-SD 4.31Å; T232-M300 HydrophobicContact CG2-CE 4.46Å; T232-M300 HydrophobicContact CG2-SD 4.03Å; T232-M300 WeakPolarHBondContact OG1-CE 3.46Å; T232-M300 PolarHBondContact OG1-SD 3.14Å; P268-M300 HydrophobicContact CG-CB 4.16Å; P268-M300 WeakPolarHBondContact O-CB 3.31Å; P268-M300 PolarHBondContact O-N 2.9Å; F270-M300 HydrophobicContact CB-CE 3.78Å
301A91.6Very high92.7Very high2 Ų243.9 Ų43.92%0.01721%0.209CC..SBendtrans-114.3135.6169.700000108.4M267 M299 C303M267-A301 HydrophobicContact CB-CB 4.22Å; M267-A301 HydrophobicContact CG-CB 4Å; M299-A301 VanDerWaalsContact C-N 3.29Å; A301-C303 VanDerWaalsContact CB-SG 3.53Å; A301-C303 PolarHBondContact O-N 3.38Å
302A88.4Confident92.8Very high37 Ų3737.1 Ų37.131%0.30618%0.178SC..SBendtrans-79.257.9-178.100000112D203 A206D203-A302 HydrophobicContact CB-CB 4.45Å; D203-A302 WeakPolarHBondContact OD2-CB 3.42Å; D203-A302 PolarHBondContact OD2-N 3.29Å; A206-A302 HydrophobicContact CB-CB 4.3Å
303C87.9Confident92.9Very high8 Ų836.2 Ų36.25%0.05417%0.173CC..  trans-131138.3174.240.60000108.5M267 A301 P305 A373 V376M267-C303 HydrophobicContact SD-CB 4.44Å; M267-C303 PolarHBondContact SD-SG 3.31Å; A301-C303 VanDerWaalsContact CB-SG 3.53Å; A301-C303 PolarHBondContact O-N 3.38Å; C303-P305 WeakPolarHBondContact O-CD 3.42Å; C303-A373 HydrophobicContact CB-CB 4.43Å; C303-A373 WeakPolarHBondContact CB-O 3.32Å; C303-V376 HydrophobicContact CB-CB 4.38Å
304D90.4Very high92.9Very high32 Ų3236 Ų3617%0.17117%0.172CC..  trans-92.9114176.8-171.5-21.1000108.9R306 H307 A373D304-R306 VanDerWaalsContact CG-NE 3.33Å; D304-R306 PolarHBondContact O-N 3.39Å; D304-R306 VanDerWaalsContact OD1-CB 3.25Å; D304-R306 WeakPolarHBondContact OD1-CB 3.3Å; D304-R306 VanDerWaalsContact OD1-CG 3.26Å; D304-R306 WeakPolarHBondContact OD1-CG 3.33Å; D304-R306 IonicContact OD1-CZ 2.76Å; D304-R306 PolarHBondContact OD1-N 3.11Å; D304-R306 IonicContact OD1-NE 3.27Å; D304-R306 PolarHBondContact OD1-NE 3.13Å; D304-R306 IonicContact OD1-NH2 3.36Å; D304-R306 IonicContact OD2-CZ 3.62Å; D304-R306 IonicContact OD2-NE 2.91Å; D304-R306 PolarHBondContact OD2-NE 3.31Å; D304-R306 IonicContact OD2-NH2 3.87Å; D304-R306 PolarHBondContact OD2-NH2 2.97Å; D304-H307 PolarHBondContact O-N 3.26Å; D304-A373 WeakPolarHBondContact O-CB 3.4Å
305P89.1Confident93Very high6 Ų634.5 Ų34.54%0.03917%0.166CC..G310 helixtrans-59.7-19.6-178.6-2435.2000113.6M267 C303 H307 G308 Y310M267-P305 HydrophobicContact CE-CB 4.48Å; M267-P305 HydrophobicContact CE-CG 4.04Å; M267-P305 HydrophobicContact SD-CG 4.47Å; C303-P305 WeakPolarHBondContact O-CD 3.42Å; P305-H307 PolarHBondContact O-N 2.98Å; P305-G308 CarbonylContact O-C 3.36Å; P305-G308 PolarHBondContact O-N 3.26Å; P305-G308 VanDerWaalsContact O-N 3.09Å; P305-G308 VanDerWaalsContact O-O 3.1Å; P305-Y310 HydrophobicContact CB-CE1 3.9Å; P305-Y310 HydrophobicContact CB-CE2 3.84Å; P305-Y310 WeakPolarHBondContact CB-OH 3.47Å; P305-Y310 HydrophobicContact CG-CE1 4.23Å; P305-Y310 WeakPolarHBondContact CG-OH 3.33Å
306R89.2Confident93.1Very high148 Ų14831.6 Ų31.656%0.55815%0.15SC*.G310 helixtrans-68.8-15.5175.6-58.5175.2-69.7177.30.5113.3D304 G308 Y340D304-R306 VanDerWaalsContact CG-NE 3.33Å; D304-R306 PolarHBondContact O-N 3.39Å; D304-R306 VanDerWaalsContact OD1-CB 3.25Å; D304-R306 WeakPolarHBondContact OD1-CB 3.3Å; D304-R306 VanDerWaalsContact OD1-CG 3.26Å; D304-R306 WeakPolarHBondContact OD1-CG 3.33Å; D304-R306 IonicContact OD1-CZ 2.76Å; D304-R306 PolarHBondContact OD1-N 3.11Å; D304-R306 IonicContact OD1-NE 3.27Å; D304-R306 PolarHBondContact OD1-NE 3.13Å; D304-R306 IonicContact OD1-NH2 3.36Å; D304-R306 IonicContact OD2-CZ 3.62Å; D304-R306 IonicContact OD2-NE 2.91Å; D304-R306 PolarHBondContact OD2-NE 3.31Å; D304-R306 IonicContact OD2-NH2 3.87Å; D304-R306 PolarHBondContact OD2-NH2 2.97Å; R306-G308 VanDerWaalsContact C-N 3.34Å; R306-Y340 HydrophobicContact CB-CE1 4.18Å; R306-Y340 HydrophobicContact CG-CD2 4.43Å; R306-Y340 HydrophobicContact CG-CE1 4.3Å; R306-Y340 HydrophobicContact CG-CE2 3.89Å
307H91.8Very high93.2Very high131 Ų13130.4 Ų30.461%0.60614%0.141SC*.G310 helixtrans-94.610.1173.4-63.7-44.3000112.9D304 P305 Q426D304-H307 PolarHBondContact O-N 3.26Å; P305-H307 PolarHBondContact O-N 2.98Å; H307-Q426 PolarHBondContact O-OE1 3.11Å
308G94.4Very high93.2Very high6 Ų623.3 Ų23.36%0.06211%0.109CC..SBendtrans-149-155.317200000111.8P305 R306 T372 Q426P305-G308 CarbonylContact O-C 3.36Å; P305-G308 PolarHBondContact O-N 3.26Å; P305-G308 VanDerWaalsContact O-N 3.09Å; P305-G308 VanDerWaalsContact O-O 3.1Å; R306-G308 VanDerWaalsContact C-N 3.34Å; G308-T372 WeakPolarHBondContact CA-OG1 3.43Å; G308-Q426 VanDerWaalsContact CA-OE1 3.29Å
309R95.9Very high93.1Very high90 Ų9022.9 Ų22.934%0.3411%0.107SC..  trans-128.6141.6175.3-59.3-68.1-174132.40.5109.3S339 Y340 F341 V342 S371 T372 Q426R309-S339 VanDerWaalsContact CD-O 3.3Å; R309-S339 WeakPolarHBondContact CD-O 3.47Å; R309-S339 PolarHBondContact NE-O 3.49Å; R309-S339 VanDerWaalsContact NE-O 3.14Å; R309-S339 PolarHBondContact NH1-O 3.27Å; R309-Y340 CarbonylContact C-O 3.55Å; R309-Y340 WeakPolarHBondContact CA-O 3.32Å; R309-F341 PolarHBondContact NH1-O 3.05Å; R309-V342 HydrophobicContact CB-CG1 3.6Å; R309-V342 HydrophobicContact CG-CG1 4.32Å; R309-S371 CarbonylContact O-C 3.43Å; R309-S371 WeakPolarHBondContact O-CA 3.37Å; R309-S371 WeakPolarHBondContact O-CB 3.35Å; R309-S371 PolarHBondContact O-OG 3.36Å; R309-T372 PolarHBondContact N-OG1 3.05Å; R309-T372 PolarHBondContact O-N 3.12Å; R309-Q426 HydrophobicContact CG-CG 4.24Å
310Y96.4Very high92.8Very high6 Ų633.4 Ų33.42%0.02415%0.147CC..EExtended strand (participates in β ladder)trans-73.8121.7166.8-71.4-65.8000108.6M267 F294 P305 V313 Y340 F341 V342 F367 N370M267-Y310 HydrophobicContact CE-CD1 4.34Å; M267-Y310 HydrophobicContact CE-CE1 3.72Å; F294-Y310 HydrophobicContact CD1-CE2 4.22Å; F294-Y310 HydrophobicContact CE1-CE2 4.18Å; P305-Y310 HydrophobicContact CB-CE1 3.9Å; P305-Y310 HydrophobicContact CB-CE2 3.84Å; P305-Y310 WeakPolarHBondContact CB-OH 3.47Å; P305-Y310 HydrophobicContact CG-CE1 4.23Å; P305-Y310 WeakPolarHBondContact CG-OH 3.33Å; Y310-V313 HydrophobicContact CD1-CG2 3.65Å; Y310-V313 HydrophobicContact CD2-CG2 4.36Å; Y310-V313 HydrophobicContact CE1-CG2 4.17Å; Y310-V313 HydrophobicContact CG-CG2 3.76Å; Y310-Y340 WeakPolarHBondContact CD2-O 3.47Å; Y310-Y340 PolarHBondContact N-O 3.42Å; Y310-F341 HydrophobicContact CD2-CD1 4.34Å; Y310-F341 HydrophobicContact CD2-CD2 4.5Å; Y310-F341 AromaticContact CD2-CE1 4Å; Y310-F341 HydrophobicContact CD2-CE1 4Å; Y310-F341 HydrophobicContact CD2-CE2 4.17Å; Y310-F341 AromaticContact CD2-CZ 3.91Å; Y310-F341 HydrophobicContact CD2-CZ 3.91Å; Y310-F341 HydrophobicContact CG-CD1 4.39Å; Y310-F341 HydrophobicContact CG-CE1 4.15Å; Y310-F341 HydrophobicContact CG-CZ 4.49Å; Y310-V342 WeakPolarHBondContact O-CG2 3.14Å; Y310-V342 PolarHBondContact O-N 3.23Å; Y310-F367 HydrophobicContact CD1-CZ 4.42Å; Y310-F367 HydrophobicContact CE1-CE1 4.22Å; Y310-F367 AromaticContact CE1-CZ 3.58Å; Y310-F367 HydrophobicContact CE1-CZ 3.58Å; Y310-F367 AromaticContact CZ-CZ 3.89Å; Y310-N370 CarbonylContact C-O 3.41Å; Y310-N370 WeakPolarHBondContact CA-O 3.03Å
311L96.9Very high92.7Very high0 Ų034.9 Ų34.90%015%0.154CC..EExtended strand (participates in β ladder)trans-75.3-50.1168-57.7-177.1000109.3P259 L263 V342 W344 I345 N348 N370 T372P259-L311 HydrophobicContact CG-CB 4.12Å; P259-L311 HydrophobicContact CG-CD1 4.25Å; L263-L311 HydrophobicContact CB-CD1 4.31Å; L263-L311 HydrophobicContact CD2-CD1 3.78Å; L311-V342 HydrophobicContact CD2-CG1 3.73Å; L311-V342 HydrophobicContact CD2-CG2 4.4Å; L311-W344 HydrophobicContact CD2-CH2 3.9Å; L311-W344 HydrophobicContact CD2-CZ2 3.99Å; L311-I345 HydrophobicContact CB-CD1 4.2Å; L311-I345 WeakPolarHBondContact O-CD1 3.36Å; L311-N348 WeakPolarHBondContact O-CB 3.02Å; L311-N370 HydrophobicContact CB-CB 4.33Å; L311-N370 PolarHBondContact N-O 2.96Å; L311-T372 HydrophobicContact CD2-CG2 3.9Å; L311-T372 HydrophobicContact CG-CG2 4.25Å
312T96.4Very high92.7Very high5 Ų537.5 Ų37.53%0.03117%0.172CC..EExtended strand (participates in β ladder)trans-146.1154.1177.264.80000110.7M257 N348 N370M257-T312 WeakPolarHBondContact CA-OG1 3.41Å; M257-T312 VanDerWaalsContact CE-OG1 3.29Å; M257-T312 WeakPolarHBondContact CE-OG1 3.37Å; M257-T312 PolarHBondContact O-OG1 3.25Å; T312-N348 CarbonylContact C-O 3.56Å; T312-N348 VanDerWaalsContact CA-O 3.26Å; T312-N348 WeakPolarHBondContact CA-O 3.2Å; T312-N370 PolarHBondContact N-O 2.81Å; T312-N370 PolarHBondContact O-N 3.03Å; T312-N370 WeakPolarHBondContact OG1-CB 3.35Å
313V96Very high92.8Very high0 Ų039.8 Ų39.80%018%0.178CC..EExtended strand (participates in β ladder)trans-137.1135.1175.91670000109.3F294 Y310 F341 N348 V349 K350 F367 I368F294-V313 HydrophobicContact CE1-CG1 4.46Å; F294-V313 HydrophobicContact CE1-CG2 4.48Å; F294-V313 HydrophobicContact CZ-CG1 4.1Å; Y310-V313 HydrophobicContact CD1-CG2 3.65Å; Y310-V313 HydrophobicContact CD2-CG2 4.36Å; Y310-V313 HydrophobicContact CE1-CG2 4.17Å; Y310-V313 HydrophobicContact CG-CG2 3.76Å; V313-F341 HydrophobicContact CB-CE1 4.32Å; V313-F341 HydrophobicContact CG2-CE1 3.73Å; V313-F341 HydrophobicContact CG2-CZ 4.3Å; V313-N348 PolarHBondContact N-O 2.99Å; V313-V349 HydrophobicContact CB-CG2 4.34Å; V313-V349 HydrophobicContact CG1-CG1 4.42Å; V313-V349 CarbonylContact O-C 3.57Å; V313-V349 WeakPolarHBondContact O-CA 3.37Å; V313-K350 PolarHBondContact O-N 2.84Å; V313-F367 HydrophobicContact CB-CE2 4.37Å; V313-F367 HydrophobicContact CG1-CD2 4.1Å; V313-F367 HydrophobicContact CG1-CE2 3.47Å; V313-F367 VanDerWaalsContact CG1-CE2 3.47Å; V313-F367 HydrophobicContact CG1-CZ 4.3Å; V313-F367 HydrophobicContact CG2-CE2 4.03Å; V313-F367 HydrophobicContact CG2-CZ 4.09Å; V313-I368 CarbonylContact C-O 3.52Å; V313-I368 WeakPolarHBondContact CA-O 3.34Å
314A94.9Very high93.1Very high0 Ų046.2 Ų46.20%021%0.205CC..EExtended strand (participates in β ladder)trans-118.8137.2164.100000111.2M257 K350 I368M257-A314 HydrophobicContact CE-CB 3.98Å; M257-A314 HydrophobicContact SD-CB 3.64Å; A314-K350 CarbonylContact C-O 3.41Å; A314-K350 VanDerWaalsContact CA-O 3.28Å; A314-K350 WeakPolarHBondContact CA-O 3.32Å; A314-I368 HydrophobicContact CB-CB 4.22Å; A314-I368 HydrophobicContact CB-CD1 4.49Å; A314-I368 PolarHBondContact N-O 2.76Å; A314-I368 PolarHBondContact O-N 3.18Å
315A95.3Very high93.4Very high0 Ų048.1 Ų48.10%021%0.213CC..EExtended strand (participates in β ladder)trans-122.1113.2175.100000109.9M293 F317 M330 K350 T351 A352 V365M293-A315 HydrophobicContact CE-CB 3.75Å; M293-A315 HydrophobicContact SD-CB 3.54Å; M293-A315 VanDerWaalsContact SD-CB 3.54Å; A315-F317 HydrophobicContact CB-CD2 4.27Å; A315-F317 HydrophobicContact CB-CE2 3.75Å; A315-M330 HydrophobicContact CB-CE 3.75Å; A315-M330 HydrophobicContact CB-SD 3.98Å; A315-K350 PolarHBondContact N-O 3.29Å; A315-T351 WeakPolarHBondContact O-CA 3.36Å; A315-A352 PolarHBondContact O-N 3.37Å; A315-V365 HydrophobicContact CB-CG2 4.25Å
316I94.4Very high93.7Very high5 Ų547.9 Ų47.93%0.02621%0.211CC..EExtended strand (participates in β ladder)trans-105.996.4-177.6-54.9166.1000108.3A352 V365 T366 I368I316-A352 HydrophobicContact CG1-CB 4.31Å; I316-A352 HydrophobicContact CG2-CB 4.37Å; I316-V365 CarbonylContact O-C 3.49Å; I316-V365 WeakPolarHBondContact O-CA 3.3Å; I316-T366 PolarHBondContact N-O 3.49Å; I316-T366 PolarHBondContact O-N 2.79Å; I316-I368 HydrophobicContact CD1-CD1 3.98Å
317F94.6Very high93.9Very high0 Ų043.9 Ų43.90%020%0.201CC..EExtended strand (participates in β ladder)trans-80.7141.1176.1-71.9-95.1000110.9V286 L289 A315 M321 V326 M330 A352 V353 C354 S364 V365V286-F317 HydrophobicContact CG1-CE1 4.07Å; V286-F317 HydrophobicContact CG1-CZ 4.45Å; L289-F317 HydrophobicContact CB-CE1 4.18Å; L289-F317 HydrophobicContact CD1-CD1 4.31Å; L289-F317 HydrophobicContact CD1-CE1 4.4Å; A315-F317 HydrophobicContact CB-CD2 4.27Å; A315-F317 HydrophobicContact CB-CE2 3.75Å; F317-M321 HydrophobicContact CB-CE 3.99Å; F317-M321 HydrophobicContact CB-SD 3.62Å; F317-M321 HydrophobicContact CD1-CE 4.41Å; F317-M321 HydrophobicContact CD1-SD 3.62Å; F317-M321 HydrophobicContact CG-SD 3.94Å; F317-V326 HydrophobicContact CD1-CG2 4.2Å; F317-V326 HydrophobicContact CD2-CG1 3.49Å; F317-V326 VanDerWaalsContact CD2-CG1 3.49Å; F317-V326 HydrophobicContact CD2-CG2 4.21Å; F317-V326 HydrophobicContact CE1-CG2 4.46Å; F317-V326 HydrophobicContact CE2-CG1 3.44Å; F317-V326 VanDerWaalsContact CE2-CG1 3.44Å; F317-V326 HydrophobicContact CE2-CG2 4.47Å; F317-V326 HydrophobicContact CG-CG1 4.2Å; F317-V326 HydrophobicContact CG-CG2 4.07Å; F317-V326 HydrophobicContact CZ-CG1 4.11Å; F317-M330 HydrophobicContact CE2-CG 4.38Å; F317-M330 HydrophobicContact CE2-SD 4.23Å; F317-M330 HydrophobicContact CZ-SD 4.4Å; F317-A352 PolarHBondContact N-O 3.27Å; F317-V353 HydrophobicContact CB-CG2 4.27Å; F317-V353 CarbonylContact O-C 3.5Å; F317-V353 WeakPolarHBondContact O-CA 3.19Å; F317-C354 PolarHBondContact O-N 3.29Å; F317-S364 CarbonylContact C-O 3.48Å; F317-S364 WeakPolarHBondContact CA-O 3.09Å; F317-V365 HydrophobicContact CD1-CB 3.76Å; F317-V365 HydrophobicContact CD1-CG2 3.83Å; F317-V365 HydrophobicContact CD2-CG2 3.76Å; F317-V365 HydrophobicContact CE1-CB 3.79Å; F317-V365 HydrophobicContact CE1-CG1 4.37Å; F317-V365 HydrophobicContact CE1-CG2 3.76Å; F317-V365 HydrophobicContact CE2-CG2 3.68Å; F317-V365 HydrophobicContact CG-CB 4.18Å; F317-V365 HydrophobicContact CG-CG2 3.84Å; F317-V365 HydrophobicContact CZ-CB 4.22Å; F317-V365 HydrophobicContact CZ-CG2 3.69Å
318R92.5Very high94.1Very high1 Ų142 Ų420%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-130.8138.5179.1-60-176.564.51771110.6E27 S234 T238 M321 C354 I356 M363 S364E27-R318 IonicContact OE1-CZ 2.8Å; E27-R318 IonicContact OE1-NH1 2.86Å; E27-R318 PolarHBondContact OE1-NH1 3.09Å; E27-R318 IonicContact OE1-NH2 3.85Å; E27-R318 PolarHBondContact OE1-NH2 2.87Å; E27-R318 VanDerWaalsContact OE1-NH2 3.11Å; E27-R318 IonicContact OE2-CZ 2.66Å; E27-R318 IonicContact OE2-NH1 3.61Å; E27-R318 PolarHBondContact OE2-NH1 3.15Å; E27-R318 IonicContact OE2-NH2 3.41Å; E27-R318 PolarHBondContact OE2-NH2 3.1Å; S234-R318 PolarHBondContact OG-NH1 3.38Å; T238-R318 HydrophobicContact CG2-CG 4.06Å; T238-R318 WeakPolarHBondContact OG1-CD 3.29Å; T238-R318 PolarHBondContact OG1-NE 2.84Å; T238-R318 PolarHBondContact OG1-NH1 3.38Å; R318-M321 VanDerWaalsContact C-CE 3.46Å; R318-M321 WeakPolarHBondContact O-CE 3.16Å; R318-C354 CarbonylContact C-O 3.54Å; R318-C354 VanDerWaalsContact CA-O 3.24Å; R318-C354 WeakPolarHBondContact CA-O 3.32Å; R318-C354 HydrophobicContact CG-CB 4.41Å; R318-I356 PolarHBondContact NE-O 3.35Å; R318-I356 VanDerWaalsContact NE-O 3.12Å; R318-I356 PolarHBondContact NH2-O 3.36Å; R318-M363 CarbonylContact O-C 3.57Å; R318-M363 WeakPolarHBondContact O-CA 3.29Å; R318-M363 WeakPolarHBondContact O-CB 3.4Å; R318-S364 PolarHBondContact N-O 3.33Å; R318-S364 PolarHBondContact O-N 3.07Å
319G90.7Very high94.2Very high0 Ų044 Ų440%020%0.2CC..SBendtrans107.8167.3-174.500000112.9M321 C354G319-M321 VanDerWaalsContact O-CE 3.3Å; G319-M321 WeakPolarHBondContact O-CE 3.46Å; G319-M321 PolarHBondContact O-N 2.66Å; G319-M321 VanDerWaalsContact O-N 3.16Å; G319-C354 PolarHBondContact N-O 3.1Å
320R88.6Confident94.2Very high224 Ų22440 Ų4085%0.84519%0.185SC*.SBendtrans-73.1107.1-178.1-65-176.3-178.5-176.50.3110.6
321M91.6Very high94.1Very high32 Ų3244 Ų4416%0.15821%0.207CC..  trans-148.7165.4177.765.9-165.584.700111.8V286 F317 R318 G319 M323 V326 V353 M363V286-M321 HydrophobicContact CG2-CB 4.1Å; V286-M321 HydrophobicContact CG2-CG 4.4Å; V286-M321 HydrophobicContact CG2-SD 3.89Å; F317-M321 HydrophobicContact CB-CE 3.99Å; F317-M321 HydrophobicContact CB-SD 3.62Å; F317-M321 HydrophobicContact CD1-CE 4.41Å; F317-M321 HydrophobicContact CD1-SD 3.62Å; F317-M321 HydrophobicContact CG-SD 3.94Å; R318-M321 VanDerWaalsContact C-CE 3.46Å; R318-M321 WeakPolarHBondContact O-CE 3.16Å; G319-M321 VanDerWaalsContact O-CE 3.3Å; G319-M321 WeakPolarHBondContact O-CE 3.46Å; G319-M321 PolarHBondContact O-N 2.66Å; G319-M321 VanDerWaalsContact O-N 3.16Å; M321-M323 PolarHBondContact O-N 2.7Å; M321-V326 HydrophobicContact CG-CG2 4.06Å; M321-V326 HydrophobicContact SD-CG2 3.85Å; M321-V353 HydrophobicContact CG-CG1 3.99Å; M321-M363 HydrophobicContact CB-CE 4.12Å; M321-M363 HydrophobicContact CE-CB 3.78Å; M321-M363 HydrophobicContact CE-CE 3.66Å; M321-M363 HydrophobicContact SD-CE 3.74Å
322S91.6Very high94Very high57 Ų5748.1 Ų48.140%0.39923%0.228SC..  trans-78.9119.8178.6175.70000110.5K324 E325 V326S322-K324 PolarHBondContact O-N 3.13Å; S322-K324 PolarHBondContact OG-N 2.93Å; S322-E325 WeakPolarHBondContact O-CB 3.32Å; S322-E325 PolarHBondContact O-N 2.76Å; S322-E325 PolarHBondContact OG-N 3.32Å; S322-V326 PolarHBondContact O-N 3.39Å; S322-V326 VanDerWaalsContact O-N 3.09Å
323M90.8Very high93.8Very high85 Ų8548.9 Ų48.942%0.41923%0.233SC..Hα-helixtrans-57.6-38.4173.4-172.4172.2-17500111.7M321 E325 V326 D327 V353M321-M323 PolarHBondContact O-N 2.7Å; M323-E325 VanDerWaalsContact C-N 3.31Å; M323-E325 PolarHBondContact O-N 2.89Å; M323-V326 WeakPolarHBondContact O-CB 3.48Å; M323-V326 PolarHBondContact O-N 3.04Å; M323-D327 PolarHBondContact O-N 2.77Å; M323-V353 HydrophobicContact CG-CG2 4.41Å
324K94.3Very high93.6Very high142 Ų14251.3 Ų51.362%0.61725%0.245SC*.Hα-helixtrans-58.7-41.8175179.7-178.8171.6-1790112.3S322 E328S322-K324 PolarHBondContact O-N 3.13Å; S322-K324 PolarHBondContact OG-N 2.93Å; K324-E328 WeakPolarHBondContact CE-OE1 3.12Å; K324-E328 IonicContact NZ-OE1 3.76Å; K324-E328 WeakPolarHBondContact O-CB 3.45Å; K324-E328 VanDerWaalsContact O-CG 3.29Å; K324-E328 WeakPolarHBondContact O-CG 3.27Å; K324-E328 PolarHBondContact O-N 3.49Å
325E95.6Very high93.5Very high73 Ų7356 Ų5634%0.34127%0.27SS..Hα-helixtrans-67.7-40.3178.6-175-176.8-17400111V286 S322 M323 E328 Q329V286-E325 HydrophobicContact CB-CG 4.09Å; V286-E325 HydrophobicContact CG1-CG 4.35Å; V286-E325 HydrophobicContact CG2-CG 4.31Å; S322-E325 WeakPolarHBondContact O-CB 3.32Å; S322-E325 PolarHBondContact O-N 2.76Å; S322-E325 PolarHBondContact OG-N 3.32Å; M323-E325 VanDerWaalsContact C-N 3.31Å; M323-E325 PolarHBondContact O-N 2.89Å; E325-E328 PolarHBondContact O-N 2.68Å; E325-Q329 WeakPolarHBondContact O-CB 3.46Å; E325-Q329 VanDerWaalsContact O-CG 3.31Å; E325-Q329 WeakPolarHBondContact O-CG 3.39Å; E325-Q329 PolarHBondContact O-N 2.59Å
326V94.9Very high93.4Very high0 Ų064.2 Ų64.20%031%0.305CS..Hα-helixtrans-58.3-51.9174.21710000110.8V286 F317 M321 S322 M323 E328 Q329 M330 T351 V353V286-V326 HydrophobicContact CG1-CB 4.41Å; V286-V326 HydrophobicContact CG1-CG2 3.83Å; V286-V326 HydrophobicContact CG2-CG2 4.17Å; F317-V326 HydrophobicContact CD1-CG2 4.2Å; F317-V326 HydrophobicContact CD2-CG1 3.49Å; F317-V326 VanDerWaalsContact CD2-CG1 3.49Å; F317-V326 HydrophobicContact CD2-CG2 4.21Å; F317-V326 HydrophobicContact CE1-CG2 4.46Å; F317-V326 HydrophobicContact CE2-CG1 3.44Å; F317-V326 VanDerWaalsContact CE2-CG1 3.44Å; F317-V326 HydrophobicContact CE2-CG2 4.47Å; F317-V326 HydrophobicContact CG-CG1 4.2Å; F317-V326 HydrophobicContact CG-CG2 4.07Å; F317-V326 HydrophobicContact CZ-CG1 4.11Å; M321-V326 HydrophobicContact CG-CG2 4.06Å; M321-V326 HydrophobicContact SD-CG2 3.85Å; S322-V326 PolarHBondContact O-N 3.39Å; S322-V326 VanDerWaalsContact O-N 3.09Å; M323-V326 WeakPolarHBondContact O-CB 3.48Å; M323-V326 PolarHBondContact O-N 3.04Å; V326-E328 PolarHBondContact O-N 2.68Å; V326-Q329 PolarHBondContact O-N 2.92Å; V326-M330 HydrophobicContact CG1-CG 4.28Å; V326-M330 WeakPolarHBondContact O-CB 3.36Å; V326-M330 WeakPolarHBondContact O-CG 3.39Å; V326-M330 PolarHBondContact O-N 3.18Å; V326-T351 HydrophobicContact CG1-CG2 4.34Å; V326-V353 HydrophobicContact CG1-CG2 4.45Å; V326-V353 HydrophobicContact CG2-CG2 4.22Å
327D94.3Very high93.2Very high64 Ų6465.8 Ų65.834%0.34231%0.314SS..Hα-helixtrans-63.4-41.5-178-65.7-26.7000111.9M323 M330 L331 T351M323-D327 PolarHBondContact O-N 2.77Å; D327-M330 PolarHBondContact O-N 3.4Å; D327-L331 WeakPolarHBondContact O-CB 3.29Å; D327-L331 PolarHBondContact O-N 2.85Å; D327-T351 PolarHBondContact OD1-OG1 3.27Å
328E96.4Very high93Very high93 Ų9369.5 Ų69.544%0.43534%0.34SS..Hα-helixtrans-61-44.8174.6-76.3175.1-178.300112K324 E325 V326 N332K324-E328 WeakPolarHBondContact CE-OE1 3.12Å; K324-E328 IonicContact NZ-OE1 3.76Å; K324-E328 WeakPolarHBondContact O-CB 3.45Å; K324-E328 VanDerWaalsContact O-CG 3.29Å; K324-E328 WeakPolarHBondContact O-CG 3.27Å; K324-E328 PolarHBondContact O-N 3.49Å; E325-E328 PolarHBondContact O-N 2.68Å; V326-E328 PolarHBondContact O-N 2.68Å; E328-N332 WeakPolarHBondContact O-CB 3.48Å; E328-N332 PolarHBondContact O-N 3.44Å; E328-N332 PolarHBondContact O-ND2 3.22Å; E328-N332 VanDerWaalsContact O-ND2 3.08Å
329Q96.2Very high93Very high47 Ų4772.6 Ų72.622%0.2236%0.361CS..Hα-helixtrans-68-38178.8-69.8-52.5-51.300112.5V286 P287 T290 E325 V326 N332 V333V286-Q329 HydrophobicContact CG1-CB 4.22Å; V286-Q329 HydrophobicContact CG1-CG 4.02Å; P287-Q329 HydrophobicContact CB-CG 4.42Å; P287-Q329 HydrophobicContact CG-CG 3.96Å; T290-Q329 HydrophobicContact CG2-CB 4.47Å; E325-Q329 WeakPolarHBondContact O-CB 3.46Å; E325-Q329 VanDerWaalsContact O-CG 3.31Å; E325-Q329 WeakPolarHBondContact O-CG 3.39Å; E325-Q329 PolarHBondContact O-N 2.59Å; V326-Q329 PolarHBondContact O-N 2.92Å; Q329-N332 PolarHBondContact O-N 2.98Å; Q329-V333 WeakPolarHBondContact O-CG2 3.18Å; Q329-V333 PolarHBondContact O-N 2.95Å
330M95.3Very high93.1Very high6 Ų676.1 Ų76.13%0.0338%0.375CS..Hα-helixtrans-67-43.6178.2-70.8-64.9-56.400111.4T290 M293 F294 A315 F317 V326 D327 N332 V333 Q334 V349 T351T290-M330 HydrophobicContact CG2-SD 3.76Å; M293-M330 HydrophobicContact CE-CE 3.85Å; M293-M330 HydrophobicContact CE-SD 3.59Å; M293-M330 VanDerWaalsContact CE-SD 3.59Å; F294-M330 HydrophobicContact CE2-CE 4.01Å; F294-M330 HydrophobicContact CE2-SD 4.23Å; F294-M330 HydrophobicContact CZ-CE 4.17Å; A315-M330 HydrophobicContact CB-CE 3.75Å; A315-M330 HydrophobicContact CB-SD 3.98Å; F317-M330 HydrophobicContact CE2-CG 4.38Å; F317-M330 HydrophobicContact CE2-SD 4.23Å; F317-M330 HydrophobicContact CZ-SD 4.4Å; V326-M330 HydrophobicContact CG1-CG 4.28Å; V326-M330 WeakPolarHBondContact O-CB 3.36Å; V326-M330 WeakPolarHBondContact O-CG 3.39Å; V326-M330 PolarHBondContact O-N 3.18Å; D327-M330 PolarHBondContact O-N 3.4Å; M330-N332 VanDerWaalsContact C-N 3.34Å; M330-N332 PolarHBondContact O-N 3.37Å; M330-V333 PolarHBondContact O-N 2.96Å; M330-Q334 WeakPolarHBondContact O-CB 3.41Å; M330-Q334 PolarHBondContact O-N 3.1Å; M330-V349 HydrophobicContact CE-CG1 3.4Å; M330-V349 VanDerWaalsContact CE-CG1 3.4Å; M330-T351 HydrophobicContact CB-CG2 3.95Å; M330-T351 HydrophobicContact CE-CG2 4.2Å; M330-T351 HydrophobicContact CG-CG2 3.57Å
331L94.3Very high93.4Very high91 Ų9165.9 Ų65.948%0.47634%0.337SS..Hα-helixtrans-60.9-42.7173.3-178.162.8000111.8D327 V333 Q334 N335D327-L331 WeakPolarHBondContact O-CB 3.29Å; D327-L331 PolarHBondContact O-N 2.85Å; L331-V333 VanDerWaalsContact C-N 3.34Å; L331-V333 PolarHBondContact O-N 3.49Å; L331-Q334 PolarHBondContact O-N 3.01Å; L331-N335 WeakPolarHBondContact O-CB 3.28Å; L331-N335 VanDerWaalsContact O-CG 3.24Å; L331-N335 PolarHBondContact O-N 2.98Å; L331-N335 PolarHBondContact O-ND2 3.43Å
332N95.3Very high93.5Very high85 Ų8564.8 Ų64.846%0.45533%0.332SS..Hα-helixtrans-61-42177.3-74-28.2000112.3E328 Q329 M330 K336E328-N332 WeakPolarHBondContact O-CB 3.48Å; E328-N332 PolarHBondContact O-N 3.44Å; E328-N332 PolarHBondContact O-ND2 3.22Å; E328-N332 VanDerWaalsContact O-ND2 3.08Å; Q329-N332 PolarHBondContact O-N 2.98Å; M330-N332 VanDerWaalsContact C-N 3.34Å; M330-N332 PolarHBondContact O-N 3.37Å; N332-K336 VanDerWaalsContact O-CB 3.29Å; N332-K336 WeakPolarHBondContact O-CB 3.47Å; N332-K336 PolarHBondContact O-N 3.04Å
333V93Very high93.4Very high22 Ų2268.4 Ų68.413%0.13334%0.343CS..Hα-helixtrans-70-41.1178.21730000111.5T290 F294 Q329 M330 L331 N335 K336 N337T290-V333 HydrophobicContact CG2-CB 4.33Å; T290-V333 HydrophobicContact CG2-CG2 3.67Å; F294-V333 HydrophobicContact CB-CG1 4.42Å; F294-V333 HydrophobicContact CD1-CG1 4.27Å; F294-V333 HydrophobicContact CD2-CB 4.37Å; F294-V333 HydrophobicContact CD2-CG1 3.44Å; F294-V333 VanDerWaalsContact CD2-CG1 3.44Å; F294-V333 HydrophobicContact CE1-CG1 4.38Å; F294-V333 HydrophobicContact CE2-CB 4.22Å; F294-V333 HydrophobicContact CE2-CG1 3.52Å; F294-V333 HydrophobicContact CG-CG1 3.81Å; F294-V333 HydrophobicContact CZ-CG1 4.01Å; Q329-V333 WeakPolarHBondContact O-CG2 3.18Å; Q329-V333 PolarHBondContact O-N 2.95Å; M330-V333 PolarHBondContact O-N 2.96Å; L331-V333 VanDerWaalsContact C-N 3.34Å; L331-V333 PolarHBondContact O-N 3.49Å; V333-N335 PolarHBondContact O-N 3.36Å; V333-K336 PolarHBondContact O-N 2.91Å; V333-N337 WeakPolarHBondContact CG1-ND2 3.22Å; V333-N337 VanDerWaalsContact O-CB 3.29Å; V333-N337 WeakPolarHBondContact O-CB 3.44Å; V333-N337 PolarHBondContact O-N 3.48Å
334Q91.9Very high93.4Very high51 Ų5165.2 Ų65.224%0.23833%0.326CS..Hα-helixtrans-59.1-46.9174.3-170.2-175.82800111.2M330 L331 K336 N337 S338 F341 N348 V349M330-Q334 WeakPolarHBondContact O-CB 3.41Å; M330-Q334 PolarHBondContact O-N 3.1Å; L331-Q334 PolarHBondContact O-N 3.01Å; Q334-K336 PolarHBondContact O-N 3.48Å; Q334-N337 CarbonylContact O-C 3.44Å; Q334-N337 PolarHBondContact O-N 3.06Å; Q334-S338 VanDerWaalsContact O-CA 3.23Å; Q334-S338 WeakPolarHBondContact O-CA 3.3Å; Q334-S338 PolarHBondContact O-N 3.41Å; Q334-F341 HydrophobicContact CG-CD2 4.37Å; Q334-F341 HydrophobicContact CG-CE2 4.37Å; Q334-N348 PolarHBondContact NE2-OD1 2.93Å; Q334-V349 HydrophobicContact CG-CG2 4.26Å
335N92.2Very high93.2Very high99 Ų9959.3 Ų59.353%0.52930%0.301SS..Hα-helixtrans-62.7-43177.9-73.5-27.5000112.5L331 V333 N337L331-N335 WeakPolarHBondContact O-CB 3.28Å; L331-N335 VanDerWaalsContact O-CG 3.24Å; L331-N335 PolarHBondContact O-N 2.98Å; L331-N335 PolarHBondContact O-ND2 3.43Å; V333-N335 PolarHBondContact O-N 3.36Å; N335-N337 VanDerWaalsContact C-N 3.3Å; N335-N337 PolarHBondContact O-N 2.9Å
336K92.7Very high92.9Very high172 Ų17260.1 Ų60.175%0.74831%0.313SS*.Hα-helixtrans-66.6-34.3179.5-177.9179.6175.6-175.90112.4N332 V333 Q334N332-K336 VanDerWaalsContact O-CB 3.29Å; N332-K336 WeakPolarHBondContact O-CB 3.47Å; N332-K336 PolarHBondContact O-N 3.04Å; V333-K336 PolarHBondContact O-N 2.91Å; Q334-K336 PolarHBondContact O-N 3.48Å
337N90.6Very high92.6Very high37 Ų3766.2 Ų66.220%0.19835%0.345CS..THydrogen-bonded Turntrans-111.325.9-174.6-65.3-27.1000112V333 Q334 N335 S339 Y340 F341V333-N337 WeakPolarHBondContact CG1-ND2 3.22Å; V333-N337 VanDerWaalsContact O-CB 3.29Å; V333-N337 WeakPolarHBondContact O-CB 3.44Å; V333-N337 PolarHBondContact O-N 3.48Å; Q334-N337 CarbonylContact O-C 3.44Å; Q334-N337 PolarHBondContact O-N 3.06Å; N335-N337 VanDerWaalsContact C-N 3.3Å; N335-N337 PolarHBondContact O-N 2.9Å; N337-S339 PolarHBondContact O-N 3.34Å; N337-S339 VanDerWaalsContact O-N 3.1Å; N337-Y340 HydrophobicContact CB-CD2 3.8Å; N337-Y340 HydrophobicContact CB-CE2 4.45Å; N337-Y340 WeakPolarHBondContact O-CB 3.28Å; N337-Y340 PolarHBondContact O-N 2.82Å; N337-F341 HydrophobicContact CB-CE2 4.29Å; N337-F341 WeakPolarHBondContact O-CD2 3.26Å
338S90.9Very high92.5Very high78 Ų7863.5 Ų63.555%0.54533%0.331SS..G310 helixtrans-56.3-33.5-171.757.10000112.9Q334 Y340 F341Q334-S338 VanDerWaalsContact O-CA 3.23Å; Q334-S338 WeakPolarHBondContact O-CA 3.3Å; Q334-S338 PolarHBondContact O-N 3.41Å; S338-Y340 PolarHBondContact O-N 3.31Å; S338-Y340 VanDerWaalsContact O-N 3.13Å; S338-F341 PolarHBondContact O-N 3.49Å
339S91.6Very high92.3Very high66 Ų6660.4 Ų60.446%0.46232%0.318SS..G310 helixtrans-65.2-9.9174.263.70000114.9R309 N337R309-S339 VanDerWaalsContact CD-O 3.3Å; R309-S339 WeakPolarHBondContact CD-O 3.47Å; R309-S339 PolarHBondContact NE-O 3.49Å; R309-S339 VanDerWaalsContact NE-O 3.14Å; R309-S339 PolarHBondContact NH1-O 3.27Å; N337-S339 PolarHBondContact O-N 3.34Å; N337-S339 VanDerWaalsContact O-N 3.1Å
340Y93.6Very high92.2Very high75 Ų7560.4 Ų60.429%0.29432%0.317SS..G310 helixtrans-1020.7175.1-54.7-33.9000112.1R306 R309 Y310 N337 S338R306-Y340 HydrophobicContact CB-CE1 4.18Å; R306-Y340 HydrophobicContact CG-CD2 4.43Å; R306-Y340 HydrophobicContact CG-CE1 4.3Å; R306-Y340 HydrophobicContact CG-CE2 3.89Å; R309-Y340 CarbonylContact C-O 3.55Å; R309-Y340 WeakPolarHBondContact CA-O 3.32Å; Y310-Y340 WeakPolarHBondContact CD2-O 3.47Å; Y310-Y340 PolarHBondContact N-O 3.42Å; N337-Y340 HydrophobicContact CB-CD2 3.8Å; N337-Y340 HydrophobicContact CB-CE2 4.45Å; N337-Y340 WeakPolarHBondContact O-CB 3.28Å; N337-Y340 PolarHBondContact O-N 2.82Å; S338-Y340 PolarHBondContact O-N 3.31Å; S338-Y340 VanDerWaalsContact O-N 3.13Å
341F94.5Very high92Very high8 Ų861.3 Ų61.34%0.03532%0.323CS..BIsolated β-bridgetrans-105.8151.4171.6-68.6-94.9000109.1F294 R309 Y310 V313 Q334 N337 S338 V349F294-F341 AromaticContact CE1-CZ 3.86Å; F294-F341 HydrophobicContact CE1-CZ 3.86Å; F294-F341 HydrophobicContact CZ-CZ 4.17Å; R309-F341 PolarHBondContact NH1-O 3.05Å; Y310-F341 HydrophobicContact CD2-CD1 4.34Å; Y310-F341 HydrophobicContact CD2-CD2 4.5Å; Y310-F341 AromaticContact CD2-CE1 4Å; Y310-F341 HydrophobicContact CD2-CE1 4Å; Y310-F341 HydrophobicContact CD2-CE2 4.17Å; Y310-F341 AromaticContact CD2-CZ 3.91Å; Y310-F341 HydrophobicContact CD2-CZ 3.91Å; Y310-F341 HydrophobicContact CG-CD1 4.39Å; Y310-F341 HydrophobicContact CG-CE1 4.15Å; Y310-F341 HydrophobicContact CG-CZ 4.49Å; V313-F341 HydrophobicContact CB-CE1 4.32Å; V313-F341 HydrophobicContact CG2-CE1 3.73Å; V313-F341 HydrophobicContact CG2-CZ 4.3Å; Q334-F341 HydrophobicContact CG-CD2 4.37Å; Q334-F341 HydrophobicContact CG-CE2 4.37Å; N337-F341 HydrophobicContact CB-CE2 4.29Å; N337-F341 WeakPolarHBondContact O-CD2 3.26Å; S338-F341 PolarHBondContact O-N 3.49Å; F341-V349 HydrophobicContact CD1-CG2 4.14Å; F341-V349 HydrophobicContact CE1-CG2 3.52Å; F341-V349 HydrophobicContact CZ-CG2 4.12Å
342V93.8Very high91.9Very high9 Ų957.2 Ų57.26%0.05530%0.303CS..  trans-71.1143.4164-610000109.4R309 Y310 L311 W344 I345 N348R309-V342 HydrophobicContact CB-CG1 3.6Å; R309-V342 HydrophobicContact CG-CG1 4.32Å; Y310-V342 WeakPolarHBondContact O-CG2 3.14Å; Y310-V342 PolarHBondContact O-N 3.23Å; L311-V342 HydrophobicContact CD2-CG1 3.73Å; L311-V342 HydrophobicContact CD2-CG2 4.4Å; V342-W344 HydrophobicContact CB-CD2 4.23Å; V342-W344 HydrophobicContact CB-CG 4.49Å; V342-W344 HydrophobicContact CB-CZ2 3.93Å; V342-W344 HydrophobicContact CG1-CZ2 3.71Å; V342-W344 HydrophobicContact CG2-CD2 4.33Å; V342-W344 HydrophobicContact CG2-CH2 4.44Å; V342-W344 HydrophobicContact CG2-CZ2 4.14Å; V342-I345 HydrophobicContact CG2-CB 3.86Å; V342-I345 HydrophobicContact CG2-CD1 3.86Å; V342-I345 HydrophobicContact CG2-CG1 3.67Å; V342-N348 PolarHBondContact O-ND2 2.79Å
343E90Very high91.7Very high134 Ų13454.7 Ų54.763%0.62629%0.29SS*.SBendtrans-90-21.6-177.650.7178.9-165.400113.2V430E343-V430 HydrophobicContact CB-CG2 4.33Å; E343-V430 HydrophobicContact CG-CG2 3.67Å
344W89.7Confident91.5Very high17 Ų1754 Ų546%0.06429%0.286CS..SBendtrans-87.8-9.2-176.247.3-99.7000114.3F260 L311 V342 P346 Y425 A428 V430 E433F260-W344 AromaticContact CE2-CH2 3.5Å; F260-W344 HydrophobicContact CE2-CH2 3.5Å; F260-W344 VanDerWaalsContact CE2-CH2 3.5Å; F260-W344 AromaticContact CE2-CZ3 3.64Å; F260-W344 HydrophobicContact CE2-CZ3 3.64Å; F260-W344 AromaticContact CZ-CH2 3.87Å; F260-W344 HydrophobicContact CZ-CH2 3.87Å; F260-W344 AromaticContact CZ-CZ3 3.67Å; F260-W344 HydrophobicContact CZ-CZ3 3.67Å; L311-W344 HydrophobicContact CD2-CH2 3.9Å; L311-W344 HydrophobicContact CD2-CZ2 3.99Å; V342-W344 HydrophobicContact CB-CD2 4.23Å; V342-W344 HydrophobicContact CB-CG 4.49Å; V342-W344 HydrophobicContact CB-CZ2 3.93Å; V342-W344 HydrophobicContact CG1-CZ2 3.71Å; V342-W344 HydrophobicContact CG2-CD2 4.33Å; V342-W344 HydrophobicContact CG2-CH2 4.44Å; V342-W344 HydrophobicContact CG2-CZ2 4.14Å; W344-P346 WeakPolarHBondContact O-CD 3.29Å; W344-Y425 HydrophobicContact CH2-CD1 4.08Å; W344-Y425 HydrophobicContact CZ2-CD1 4.3Å; W344-A428 PolarHBondContact NE1-O 3.12Å; W344-V430 HydrophobicContact CB-CG2 4.42Å; W344-E433 WeakPolarHBondContact CB-OE1 3.16Å
345I90.9Very high91.1Very high18 Ų1856.6 Ų56.69%0.09230%0.301CS..SBendtrans-98.9106.3168.8-54.9-177.2000109.5P259 L311 V342 N348P259-I345 HydrophobicContact CB-CD1 3.79Å; P259-I345 HydrophobicContact CG-CD1 3.67Å; L311-I345 HydrophobicContact CB-CD1 4.2Å; L311-I345 WeakPolarHBondContact O-CD1 3.36Å; V342-I345 HydrophobicContact CG2-CB 3.86Å; V342-I345 HydrophobicContact CG2-CD1 3.86Å; V342-I345 HydrophobicContact CG2-CG1 3.67Å; I345-N348 HydrophobicContact CB-CB 4.1Å; I345-N348 HydrophobicContact CG2-CB 3.81Å
346P88.3Confident90.8Very high91 Ų9153.3 Ų53.359%0.59128%0.284SS*.THydrogen-bonded Turntrans-68.6147.6176.629.3-34.7000111.1W344 N348W344-P346 WeakPolarHBondContact O-CD 3.29Å; P346-N348 PolarHBondContact O-N 3.44Å; P346-N348 VanDerWaalsContact O-N 3.12Å
347N88.6Confident90.5Very high128 Ų12847.4 Ų47.468%0.68426%0.263SS*.THydrogen-bonded Turntrans51.837.3175.1-57.2-52000114V349 K350N347-V349 PolarHBondContact O-N 3.46Å; N347-V349 VanDerWaalsContact O-N 3.17Å; N347-K350 WeakPolarHBondContact O-CE 3.43Å; N347-K350 PolarHBondContact O-NZ 3.25Å
348N92.3Very high90.4Very high7 Ų746.4 Ų46.44%0.03726%0.258CS..  trans-71.4-1.4-176.359.71.6000115.4L311 T312 V313 Q334 V342 I345 P346L311-N348 WeakPolarHBondContact O-CB 3.02Å; T312-N348 CarbonylContact C-O 3.56Å; T312-N348 VanDerWaalsContact CA-O 3.26Å; T312-N348 WeakPolarHBondContact CA-O 3.2Å; V313-N348 PolarHBondContact N-O 2.99Å; Q334-N348 PolarHBondContact NE2-OD1 2.93Å; V342-N348 PolarHBondContact O-ND2 2.79Å; I345-N348 HydrophobicContact CB-CB 4.1Å; I345-N348 HydrophobicContact CG2-CB 3.81Å; P346-N348 PolarHBondContact O-N 3.44Å; P346-N348 VanDerWaalsContact O-N 3.12Å
349V93.8Very high90Very high27 Ų2751.9 Ų51.916%0.16427%0.267CS..EExtended strand (participates in β ladder)trans-110122.3174.5-178.70000109.3V313 M330 Q334 F341 N347V313-V349 HydrophobicContact CB-CG2 4.34Å; V313-V349 HydrophobicContact CG1-CG1 4.42Å; V313-V349 CarbonylContact O-C 3.57Å; V313-V349 WeakPolarHBondContact O-CA 3.37Å; M330-V349 HydrophobicContact CE-CG1 3.4Å; M330-V349 VanDerWaalsContact CE-CG1 3.4Å; Q334-V349 HydrophobicContact CG-CG2 4.26Å; F341-V349 HydrophobicContact CD1-CG2 4.14Å; F341-V349 HydrophobicContact CE1-CG2 3.52Å; F341-V349 HydrophobicContact CZ-CG2 4.12Å; N347-V349 PolarHBondContact O-N 3.46Å; N347-V349 VanDerWaalsContact O-N 3.17Å
350K92.5Very high89.6Confident48 Ų4852.5 Ų52.521%0.20928%0.284CS..EExtended strand (participates in β ladder)trans-114.7138.1177-51.6-57.5-170.6-159.90111.2L246 N256 V313 A314 A315 N347L246-K350 HydrophobicContact CD1-CB 4.27Å; L246-K350 HydrophobicContact CD2-CB 3.57Å; N256-K350 HydrophobicContact CB-CG 4.47Å; V313-K350 PolarHBondContact O-N 2.84Å; A314-K350 CarbonylContact C-O 3.41Å; A314-K350 VanDerWaalsContact CA-O 3.28Å; A314-K350 WeakPolarHBondContact CA-O 3.32Å; A315-K350 PolarHBondContact N-O 3.29Å; N347-K350 WeakPolarHBondContact O-CE 3.43Å; N347-K350 PolarHBondContact O-NZ 3.25Å
351T92.6Very high89.4Confident25 Ų2551.3 Ų51.315%0.15328%0.282CS..EExtended strand (participates in β ladder)trans-120.1140.2-179.5550000110.4A315 V326 D327 M330A315-T351 WeakPolarHBondContact O-CA 3.36Å; V326-T351 HydrophobicContact CG1-CG2 4.34Å; D327-T351 PolarHBondContact OD1-OG1 3.27Å; M330-T351 HydrophobicContact CB-CG2 3.95Å; M330-T351 HydrophobicContact CE-CG2 4.2Å; M330-T351 HydrophobicContact CG-CG2 3.57Å
352A91.1Very high89.2Confident5 Ų559.4 Ų59.44%0.04132%0.318CS..EExtended strand (participates in β ladder)trans-133.6145.1174.100000109.5L246 A315 I316 F317L246-A352 HydrophobicContact CB-CB 3.77Å; L246-A352 HydrophobicContact CD2-CB 4.17Å; A315-A352 PolarHBondContact O-N 3.37Å; I316-A352 HydrophobicContact CG1-CB 4.31Å; I316-A352 HydrophobicContact CG2-CB 4.37Å; F317-A352 PolarHBondContact N-O 3.27Å
353V90.6Very high89.2Confident32 Ų3260 Ų6019%0.19432%0.32CS..EExtended strand (participates in β ladder)trans-128.9129.3174.8-174.30000108.7F317 M321 M323 V326F317-V353 HydrophobicContact CB-CG2 4.27Å; F317-V353 CarbonylContact O-C 3.5Å; F317-V353 WeakPolarHBondContact O-CA 3.19Å; M321-V353 HydrophobicContact CG-CG1 3.99Å; M323-V353 HydrophobicContact CG-CG2 4.41Å; V326-V353 HydrophobicContact CG1-CG2 4.45Å; V326-V353 HydrophobicContact CG2-CG2 4.22Å
354C88.4Confident89.5Confident6 Ų653.6 Ų53.64%0.04129%0.29CS..EExtended strand (participates in β ladder)trans-120.6128.2172178.80000109.3T238 F317 R318 G319 I356T238-C354 HydrophobicContact CG2-CB 3.58Å; F317-C354 PolarHBondContact O-N 3.29Å; R318-C354 CarbonylContact C-O 3.54Å; R318-C354 VanDerWaalsContact CA-O 3.24Å; R318-C354 WeakPolarHBondContact CA-O 3.32Å; R318-C354 HydrophobicContact CG-CB 4.41Å; G319-C354 PolarHBondContact N-O 3.1Å; C354-I356 PolarHBondContact O-N 3.34Å; C354-I356 VanDerWaalsContact O-N 3.1Å
355D85.2Confident89.8Confident106 Ų10652.8 Ų52.857%0.56729%0.287SS*.SBendtrans-70.3-8.3-176.6-71.7-23.4000114.2P357D355-P357 VanDerWaalsContact O-CD 3.24Å; D355-P357 WeakPolarHBondContact O-CD 3.38Å
356I84.5Confident90.1Very high31 Ų3151.9 Ų51.916%0.15928%0.283CS..  trans-94.1103.9-179.4-58.7171.2000109.4L42 F242 R318 C354L42-I356 HydrophobicContact CB-CD1 4.12Å; F242-I356 HydrophobicContact CB-CD1 4.37Å; F242-I356 HydrophobicContact CD1-CD1 3.31Å; F242-I356 HydrophobicContact CD2-CD1 4.21Å; F242-I356 HydrophobicContact CE1-CD1 3.48Å; F242-I356 VanDerWaalsContact CE1-CD1 3.48Å; F242-I356 HydrophobicContact CE2-CD1 4.33Å; F242-I356 HydrophobicContact CE2-CG2 4.32Å; F242-I356 HydrophobicContact CG-CD1 3.71Å; F242-I356 HydrophobicContact CZ-CD1 3.99Å; F242-I356 HydrophobicContact CZ-CG2 4.3Å; R318-I356 PolarHBondContact NE-O 3.35Å; R318-I356 VanDerWaalsContact NE-O 3.12Å; R318-I356 PolarHBondContact NH2-O 3.36Å; C354-I356 PolarHBondContact O-N 3.34Å; C354-I356 VanDerWaalsContact O-N 3.1Å
357P87.5Confident90.4Very high48 Ų4847.6 Ų47.631%0.31226%0.255SS..PPolyproline II helixtrans-71.8155.6175.532.8-34.9000110.8D355 L361D355-P357 VanDerWaalsContact O-CD 3.24Å; D355-P357 WeakPolarHBondContact O-CD 3.38Å; P357-L361 WeakPolarHBondContact CB-O 3.46Å
358P88.3Confident90.8Very high15 Ų1541.5 Ų41.510%0.09722%0.222CC..PPolyproline II helixtrans-61150.8166.5-16.929.7000110.8G360 L361 S364P358-G360 PolarHBondContact O-N 3.24Å; P358-L361 HydrophobicContact CB-CD1 4.35Å; P358-L361 HydrophobicContact CG-CD1 4.42Å; P358-L361 PolarHBondContact O-N 3.41Å; P358-L361 VanDerWaalsContact O-N 3.13Å; P358-S364 VanDerWaalsContact CD-OG 3.23Å; P358-S364 WeakPolarHBondContact CD-OG 3.48Å; P358-S364 WeakPolarHBondContact CG-OG 3.36Å
359R81.9Confident91Very high193 Ų19341.1 Ų41.173%0.72822%0.22SC*.THydrogen-bonded Turntrans-60139-179.5-170.8175-173.9173.712.1111.8D26 L361D26-R359 IonicContact OD1-CZ 3.6Å; D26-R359 IonicContact OD1-NH1 3.62Å; D26-R359 PolarHBondContact OD1-NH1 2.9Å; D26-R359 WeakPolarHBondContact OD2-CD 3.38Å; D26-R359 IonicContact OD2-CZ 2.85Å; D26-R359 IonicContact OD2-NE 3.52Å; D26-R359 IonicContact OD2-NH1 2.99Å; D26-R359 PolarHBondContact OD2-NH1 2.89Å; R359-L361 PolarHBondContact O-N 3.44Å
360G84.6Confident91.1Very high80 Ų8039.9 Ų39.983%0.82521%0.212SC*.THydrogen-bonded Turntrans80.7-5.1-179.300000114P358P358-G360 PolarHBondContact O-N 3.24Å
361L89.3Confident91.3Very high49 Ų4937.6 Ų37.626%0.25720%0.202SC..  trans-116.8149.5176.3-60.3177.7000110.5F270 P272 P357 P358 R359F270-L361 HydrophobicContact CE1-CD1 4.25Å; F270-L361 HydrophobicContact CZ-CD1 3.8Å; P272-L361 HydrophobicContact CG-CD2 4.25Å; P357-L361 WeakPolarHBondContact CB-O 3.46Å; P358-L361 HydrophobicContact CB-CD1 4.35Å; P358-L361 HydrophobicContact CG-CD1 4.42Å; P358-L361 PolarHBondContact O-N 3.41Å; P358-L361 VanDerWaalsContact O-N 3.13Å; R359-L361 PolarHBondContact O-N 3.44Å
362K90.2Very high91.6Very high179 Ų17936.4 Ų36.478%0.77820%0.195SC*.SBendtrans-85.9-32.6171.9-68.6-176.1178.5179.60111.9
363M93.9Very high91.8Very high20 Ų2036.1 Ų36.110%0.09919%0.193CC..  trans-157.3153.3177.358.6-171.4-37.300110.2L284 V286 L289 R318 M321L284-M363 HydrophobicContact CB-CG 3.91Å; L284-M363 HydrophobicContact CB-SD 4.05Å; V286-M363 HydrophobicContact CG2-CE 3.76Å; L289-M363 HydrophobicContact CD1-CB 4.25Å; L289-M363 HydrophobicContact CD1-CE 3.9Å; L289-M363 HydrophobicContact CD1-CG 3.91Å; L289-M363 HydrophobicContact CD1-SD 4.3Å; R318-M363 CarbonylContact O-C 3.57Å; R318-M363 WeakPolarHBondContact O-CA 3.29Å; R318-M363 WeakPolarHBondContact O-CB 3.4Å; M321-M363 HydrophobicContact CB-CE 4.12Å; M321-M363 HydrophobicContact CE-CB 3.78Å; M321-M363 HydrophobicContact CE-CE 3.66Å; M321-M363 HydrophobicContact SD-CE 3.74Å
364S95.6Very high92.1Very high0 Ų034.6 Ų34.60%018%0.184CC..EExtended strand (participates in β ladder)trans-149.7169.3174.968.20000110.3A271 F317 R318 P358A271-S364 CarbonylContact O-C 3.56Å; A271-S364 VanDerWaalsContact O-CA 3.23Å; A271-S364 WeakPolarHBondContact O-CA 3.25Å; A271-S364 VanDerWaalsContact O-CB 3.24Å; A271-S364 WeakPolarHBondContact O-CB 3.42Å; F317-S364 CarbonylContact C-O 3.48Å; F317-S364 WeakPolarHBondContact CA-O 3.09Å; R318-S364 PolarHBondContact N-O 3.33Å; R318-S364 PolarHBondContact O-N 3.07Å; P358-S364 VanDerWaalsContact CD-OG 3.23Å; P358-S364 WeakPolarHBondContact CD-OG 3.48Å; P358-S364 WeakPolarHBondContact CG-OG 3.36Å
365V96.1Very high92.4Very high0 Ų034.6 Ų34.60%018%0.183CC..EExtended strand (participates in β ladder)trans-138.5139.9168.465.90000109.7A271 L289 M293 A315 I316 F317A271-V365 HydrophobicContact CB-CG1 3.8Å; A271-V365 PolarHBondContact N-O 2.93Å; A271-V365 PolarHBondContact O-N 3.33Å; L289-V365 HydrophobicContact CB-CB 4.48Å; L289-V365 HydrophobicContact CB-CG1 3.83Å; L289-V365 HydrophobicContact CD1-CB 4.5Å; M293-V365 HydrophobicContact CB-CG1 4.06Å; M293-V365 HydrophobicContact CG-CG1 4.16Å; M293-V365 HydrophobicContact CG-CG2 4.45Å; M293-V365 HydrophobicContact SD-CB 4.44Å; M293-V365 HydrophobicContact SD-CG1 4.12Å; M293-V365 HydrophobicContact SD-CG2 3.44Å; M293-V365 WeakPolarHBondContact SD-CG2 3.25Å; A315-V365 HydrophobicContact CB-CG2 4.25Å; I316-V365 CarbonylContact O-C 3.49Å; I316-V365 WeakPolarHBondContact O-CA 3.3Å; F317-V365 HydrophobicContact CD1-CB 3.76Å; F317-V365 HydrophobicContact CD1-CG2 3.83Å; F317-V365 HydrophobicContact CD2-CG2 3.76Å; F317-V365 HydrophobicContact CE1-CB 3.79Å; F317-V365 HydrophobicContact CE1-CG1 4.37Å; F317-V365 HydrophobicContact CE1-CG2 3.76Å; F317-V365 HydrophobicContact CE2-CG2 3.68Å; F317-V365 HydrophobicContact CG-CB 4.18Å; F317-V365 HydrophobicContact CG-CG2 3.84Å; F317-V365 HydrophobicContact CZ-CB 4.22Å; F317-V365 HydrophobicContact CZ-CG2 3.69Å
366T96Very high92.9Very high0 Ų032.6 Ų32.60%017%0.174CC..EExtended strand (participates in β ladder)trans-110.6130.3171.2-62.20000109.3T232 G235 V236 G269 I316T232-T366 HydrophobicContact CG2-CG2 4.35Å; G235-T366 VanDerWaalsContact CA-OG1 3.31Å; G235-T366 WeakPolarHBondContact CA-OG1 3.25Å; V236-T366 HydrophobicContact CG2-CG2 3.87Å; G269-T366 WeakPolarHBondContact O-CA 3.37Å; I316-T366 PolarHBondContact N-O 3.49Å; I316-T366 PolarHBondContact O-N 2.79Å
367F96.4Very high93.3Very high0 Ų031.2 Ų31.20%017%0.167CC..EExtended strand (participates in β ladder)trans-98.4140.2179-177.7-106.5000110.2M267 P268 G269 M293 F294 M299 Y310 V313 G369M267-F367 WeakPolarHBondContact O-CD1 3.36Å; P268-F367 CarbonylContact C-O 3.54Å; P268-F367 VanDerWaalsContact CA-O 3.25Å; P268-F367 WeakPolarHBondContact CA-O 3.45Å; G269-F367 PolarHBondContact N-O 3.33Å; G269-F367 PolarHBondContact O-N 2.8Å; M293-F367 HydrophobicContact CE-CD2 4.12Å; M293-F367 HydrophobicContact CG-CB 3.54Å; M293-F367 HydrophobicContact CG-CD2 3.63Å; M293-F367 HydrophobicContact CG-CG 3.92Å; M293-F367 HydrophobicContact SD-CB 4.19Å; M293-F367 HydrophobicContact SD-CD2 3.9Å; F294-F367 HydrophobicContact CD1-CE2 4.35Å; F294-F367 HydrophobicContact CE1-CE2 4Å; F294-F367 HydrophobicContact CZ-CE2 4.33Å; M299-F367 HydrophobicContact CE-CD1 3.65Å; M299-F367 HydrophobicContact CE-CE1 3.41Å; M299-F367 VanDerWaalsContact CE-CE1 3.41Å; M299-F367 HydrophobicContact CE-CE2 4.36Å; M299-F367 HydrophobicContact CE-CG 4.23Å; M299-F367 HydrophobicContact CE-CZ 3.81Å; M299-F367 HydrophobicContact SD-CD1 3.37Å; M299-F367 WeakPolarHBondContact SD-CD1 3.33Å; M299-F367 HydrophobicContact SD-CE1 3.56Å; M299-F367 VanDerWaalsContact SD-CE1 3.56Å; M299-F367 HydrophobicContact SD-CG 4.22Å; Y310-F367 HydrophobicContact CD1-CZ 4.42Å; Y310-F367 HydrophobicContact CE1-CE1 4.22Å; Y310-F367 AromaticContact CE1-CZ 3.58Å; Y310-F367 HydrophobicContact CE1-CZ 3.58Å; Y310-F367 AromaticContact CZ-CZ 3.89Å; V313-F367 HydrophobicContact CB-CE2 4.37Å; V313-F367 HydrophobicContact CG1-CD2 4.1Å; V313-F367 HydrophobicContact CG1-CE2 3.47Å; V313-F367 VanDerWaalsContact CG1-CE2 3.47Å; V313-F367 HydrophobicContact CG1-CZ 4.3Å; V313-F367 HydrophobicContact CG2-CE2 4.03Å; V313-F367 HydrophobicContact CG2-CZ 4.09Å; F367-G369 VanDerWaalsContact CE1-CA 3.49Å; F367-G369 VanDerWaalsContact CE1-N 3.33Å
368I96.2Very high93.7Very high0 Ų029 Ų290%015%0.153CC..EExtended strand (participates in β ladder)trans-132.3111.2166.7-50175.9000106.3F200 V236 L253 M257 F266 V313 A314 I316F200-I368 HydrophobicContact CE1-CB 4.41Å; F200-I368 HydrophobicContact CE1-CD1 3.89Å; F200-I368 HydrophobicContact CE1-CG1 3.95Å; F200-I368 HydrophobicContact CE1-CG2 3.67Å; F200-I368 HydrophobicContact CZ-CD1 4.08Å; F200-I368 HydrophobicContact CZ-CG2 4.27Å; V236-I368 HydrophobicContact CB-CD1 4.45Å; V236-I368 HydrophobicContact CG1-CD1 4.12Å; V236-I368 HydrophobicContact CG2-CD1 4.01Å; V236-I368 HydrophobicContact CG2-CG1 4.14Å; L253-I368 HydrophobicContact CD1-CD1 4.26Å; M257-I368 HydrophobicContact CE-CB 4.21Å; M257-I368 HydrophobicContact CE-CG2 3.9Å; M257-I368 WeakPolarHBondContact CE-O 3.14Å; F266-I368 HydrophobicContact CB-CG2 3.81Å; F266-I368 HydrophobicContact CD1-CG2 4.05Å; F266-I368 HydrophobicContact CD2-CG2 4.05Å; F266-I368 HydrophobicContact CG-CG2 3.71Å; V313-I368 CarbonylContact C-O 3.52Å; V313-I368 WeakPolarHBondContact CA-O 3.34Å; A314-I368 HydrophobicContact CB-CB 4.22Å; A314-I368 HydrophobicContact CB-CD1 4.49Å; A314-I368 PolarHBondContact N-O 2.76Å; A314-I368 PolarHBondContact O-N 3.18Å; I316-I368 HydrophobicContact CD1-CD1 3.98Å
369G95.8Very high94.1Very high0 Ų032.1 Ų32.10%017%0.165CC..EExtended strand (participates in β ladder)trans-112.8123.3176.600000111.3M267 F367M267-G369 PolarHBondContact N-O 2.85Å; M267-G369 PolarHBondContact O-N 2.84Å; F367-G369 VanDerWaalsContact CE1-CA 3.49Å; F367-G369 VanDerWaalsContact CE1-N 3.33Å
370N97.2Very high94.6Very high0 Ų025 Ų250%014%0.138CC..EExtended strand (participates in β ladder)trans-91.4116.5161.5-168-16.4000108M257 L263 F266 Y310 L311 T312M257-N370 PolarHBondContact O-ND2 3.06Å; L263-N370 PolarHBondContact O-ND2 3.38Å; L263-N370 PolarHBondContact O-OD1 3.34Å; F266-N370 HydrophobicContact CD1-CB 3.91Å; F266-N370 HydrophobicContact CE1-CB 3.97Å; Y310-N370 CarbonylContact C-O 3.41Å; Y310-N370 WeakPolarHBondContact CA-O 3.03Å; L311-N370 HydrophobicContact CB-CB 4.33Å; L311-N370 PolarHBondContact N-O 2.96Å; T312-N370 PolarHBondContact N-O 2.81Å; T312-N370 PolarHBondContact O-N 3.03Å; T312-N370 WeakPolarHBondContact OG1-CB 3.35Å
371S96.9Very high95.1Very high0 Ų021.4 Ų21.40%010%0.1CC..EExtended strand (participates in β ladder)trans-142.6144.3-175.7-176.60000112.3R309 A373 M374R309-S371 CarbonylContact O-C 3.43Å; R309-S371 WeakPolarHBondContact O-CA 3.37Å; R309-S371 WeakPolarHBondContact O-CB 3.35Å; R309-S371 PolarHBondContact O-OG 3.36Å; S371-A373 PolarHBondContact O-N 2.87Å; S371-A373 VanDerWaalsContact O-N 3.14Å; S371-A373 PolarHBondContact OG-N 2.94Å; S371-M374 WeakPolarHBondContact O-CB 3.31Å; S371-M374 PolarHBondContact O-N 2.98Å
372T97.3Very high95.3Very high0 Ų019.5 Ų19.50%09%0.09CC..G310 helixtrans-62.2-18.7171.471.20000113.2G308 R309 L311 M374 Q375 Y422 Q426G308-T372 WeakPolarHBondContact CA-OG1 3.43Å; R309-T372 PolarHBondContact N-OG1 3.05Å; R309-T372 PolarHBondContact O-N 3.12Å; L311-T372 HydrophobicContact CD2-CG2 3.9Å; L311-T372 HydrophobicContact CG-CG2 4.25Å; T372-M374 PolarHBondContact O-N 2.96Å; T372-M374 VanDerWaalsContact O-N 3.12Å; T372-Q375 WeakPolarHBondContact O-CB 3.46Å; T372-Q375 WeakPolarHBondContact O-CG 3.48Å; T372-Q375 PolarHBondContact O-N 3.5Å; T372-Q375 VanDerWaalsContact O-N 3.15Å; T372-Y422 HydrophobicContact CG2-CD1 4.37Å; T372-Q426 HydrophobicContact CG2-CB 3.91Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.44Å; T372-Q426 PolarHBondContact OG1-OE1 3.18Å
373A96.5Very high95.6Very high0 Ų017.7 Ų17.70%09%0.085CC..G310 helixtrans-61.1-18.317200000112.9C303 D304 S371 Q375 V376C303-A373 HydrophobicContact CB-CB 4.43Å; C303-A373 WeakPolarHBondContact CB-O 3.32Å; D304-A373 WeakPolarHBondContact O-CB 3.4Å; S371-A373 PolarHBondContact O-N 2.87Å; S371-A373 VanDerWaalsContact O-N 3.14Å; S371-A373 PolarHBondContact OG-N 2.94Å; A373-Q375 PolarHBondContact O-N 3.44Å; A373-Q375 VanDerWaalsContact O-N 3.16Å; A373-V376 WeakPolarHBondContact O-CB 3.46Å; A373-V376 WeakPolarHBondContact O-CG2 3.44Å; A373-V376 PolarHBondContact O-N 3.44Å; A373-V376 VanDerWaalsContact O-N 3.09Å
374M95.9Very high95.6Very high0 Ų019.5 Ų19.50%09%0.093CC..G310 helixtrans-57-27.3174.1-168.262.383.300112.5C201 F265 F266 M267 S371 T372 V376 L377 F378 Y422C201-M374 HydrophobicContact CB-CE 3.9Å; C201-M374 HydrophobicContact CB-SD 4.25Å; F265-M374 HydrophobicContact CB-CE 4.07Å; F265-M374 HydrophobicContact CB-CG 3.91Å; F265-M374 WeakPolarHBondContact O-CE 3.25Å; F266-M374 VanDerWaalsContact C-CE 3.42Å; F266-M374 WeakPolarHBondContact O-CE 3.35Å; M267-M374 HydrophobicContact CB-CE 4.34Å; M267-M374 HydrophobicContact CG-CE 3.35Å; M267-M374 HydrophobicContact CG-SD 4.34Å; S371-M374 WeakPolarHBondContact O-CB 3.31Å; S371-M374 PolarHBondContact O-N 2.98Å; T372-M374 PolarHBondContact O-N 2.96Å; T372-M374 VanDerWaalsContact O-N 3.12Å; M374-V376 PolarHBondContact O-N 3.04Å; M374-L377 WeakPolarHBondContact O-CB 3.12Å; M374-L377 PolarHBondContact O-N 3.29Å; M374-L377 HydrophobicContact SD-CB 4.1Å; M374-L377 HydrophobicContact SD-CD2 3.61Å; M374-F378 HydrophobicContact CB-CE2 4.36Å; M374-F378 HydrophobicContact CG-CD2 4.35Å; M374-F378 HydrophobicContact CG-CE2 3.52Å; M374-F378 HydrophobicContact CG-CZ 3.85Å; M374-Y422 HydrophobicContact CB-CE1 4.41Å
375Q95.5Very high95.6Very high6 Ų619.5 Ų19.53%0.0289%0.093CC..Hα-helixtrans-54.6-27.8175.674.9174.5-59.700113.7T372 A373 L377 F378 K379 V419 Y422 Q423T372-Q375 WeakPolarHBondContact O-CB 3.46Å; T372-Q375 WeakPolarHBondContact O-CG 3.48Å; T372-Q375 PolarHBondContact O-N 3.5Å; T372-Q375 VanDerWaalsContact O-N 3.15Å; A373-Q375 PolarHBondContact O-N 3.44Å; A373-Q375 VanDerWaalsContact O-N 3.16Å; Q375-L377 VanDerWaalsContact C-N 3.28Å; Q375-L377 PolarHBondContact O-N 3.21Å; Q375-F378 PolarHBondContact O-N 2.87Å; Q375-K379 WeakPolarHBondContact O-CB 3.18Å; Q375-K379 VanDerWaalsContact O-CG 3.29Å; Q375-K379 WeakPolarHBondContact O-CG 3.32Å; Q375-K379 PolarHBondContact O-N 3.31Å; Q375-V419 HydrophobicContact CB-CG1 4.48Å; Q375-Y422 HydrophobicContact CB-CG 4.41Å; Q375-Q423 VanDerWaalsContact OE1-OE1 3.13Å
376V94.6Very high95.6Very high63 Ų6320.9 Ų20.938%0.38210%0.103SC..Hα-helixtrans-63.9-37.9177.6176.50000110.9C303 A373 M374 R380C303-V376 HydrophobicContact CB-CB 4.38Å; A373-V376 WeakPolarHBondContact O-CB 3.46Å; A373-V376 WeakPolarHBondContact O-CG2 3.44Å; A373-V376 PolarHBondContact O-N 3.44Å; A373-V376 VanDerWaalsContact O-N 3.09Å; M374-V376 PolarHBondContact O-N 3.04Å; V376-R380 WeakPolarHBondContact O-CB 3.43Å; V376-R380 PolarHBondContact O-N 3.48Å
377L94.1Very high95.5Very high2 Ų223.2 Ų23.21%0.0112%0.122CC..Hα-helixtrans-63-47.5177.8-171.473.3000110.7V170 C201 M374 Q375 R380 I381V170-L377 HydrophobicContact CG1-CD1 4.01Å; V170-L377 HydrophobicContact CG1-CD2 4.35Å; V170-L377 HydrophobicContact CG1-CG 4.29Å; V170-L377 HydrophobicContact CG2-CD2 4.02Å; C201-L377 HydrophobicContact CB-CD2 4.11Å; M374-L377 WeakPolarHBondContact O-CB 3.12Å; M374-L377 PolarHBondContact O-N 3.29Å; M374-L377 HydrophobicContact SD-CB 4.1Å; M374-L377 HydrophobicContact SD-CD2 3.61Å; Q375-L377 VanDerWaalsContact C-N 3.28Å; Q375-L377 PolarHBondContact O-N 3.21Å; L377-R380 VanDerWaalsContact CD1-NH2 3.25Å; L377-R380 WeakPolarHBondContact O-CB 3.34Å; L377-R380 PolarHBondContact O-N 3.04Å; L377-I381 WeakPolarHBondContact O-CG1 3.33Å; L377-I381 PolarHBondContact O-N 3.37Å
378F95.8Very high95.5Very high2 Ų224.6 Ų24.61%0.00913%0.129CC..Hα-helixtrans-67.4-44.7179-57.4-52.1000111.9V189 F265 M374 Q375 R380 I381 C382 M415 L418 V419 Y422V189-F378 HydrophobicContact CG1-CD1 4Å; V189-F378 HydrophobicContact CG1-CE1 3.88Å; V189-F378 HydrophobicContact CG2-CD1 4.37Å; V189-F378 HydrophobicContact CG2-CE1 4.17Å; F265-F378 HydrophobicContact CB-CZ 4.12Å; F265-F378 HydrophobicContact CD1-CE1 4.24Å; F265-F378 AromaticContact CD1-CZ 3.69Å; F265-F378 HydrophobicContact CD1-CZ 3.69Å; F265-F378 HydrophobicContact CD2-CE2 4.36Å; F265-F378 AromaticContact CD2-CZ 3.86Å; F265-F378 HydrophobicContact CD2-CZ 3.86Å; F265-F378 HydrophobicContact CE1-CE1 4.2Å; F265-F378 AromaticContact CE1-CZ 3.97Å; F265-F378 HydrophobicContact CE1-CZ 3.97Å; F265-F378 HydrophobicContact CE2-CZ 4.13Å; F265-F378 HydrophobicContact CG-CE2 4.37Å; F265-F378 AromaticContact CG-CZ 3.62Å; F265-F378 HydrophobicContact CG-CZ 3.62Å; F265-F378 HydrophobicContact CZ-CZ 4.18Å; M374-F378 HydrophobicContact CB-CE2 4.36Å; M374-F378 HydrophobicContact CG-CD2 4.35Å; M374-F378 HydrophobicContact CG-CE2 3.52Å; M374-F378 HydrophobicContact CG-CZ 3.85Å; Q375-F378 PolarHBondContact O-N 2.87Å; F378-R380 VanDerWaalsContact C-N 3.26Å; F378-R380 PolarHBondContact O-N 3.01Å; F378-I381 PolarHBondContact O-N 3.46Å; F378-C382 PolarHBondContact O-N 3.36Å; F378-C382 PolarHBondContact O-SG 3.04Å; F378-C382 VanDerWaalsContact O-SG 3.33Å; F378-M415 HydrophobicContact CB-CG 4Å; F378-M415 HydrophobicContact CB-SD 4.18Å; F378-M415 HydrophobicContact CD1-SD 4.45Å; F378-L418 HydrophobicContact CD1-CD2 4.43Å; F378-L418 HydrophobicContact CD2-CD2 3.81Å; F378-L418 HydrophobicContact CD2-CG 4.43Å; F378-L418 HydrophobicContact CE1-CD2 4.25Å; F378-L418 HydrophobicContact CE2-CD2 3.62Å; F378-L418 HydrophobicContact CE2-CG 4.38Å; F378-L418 HydrophobicContact CG-CD2 4.24Å; F378-L418 HydrophobicContact CZ-CD2 3.86Å; F378-V419 HydrophobicContact CB-CG2 3.61Å; F378-Y422 HydrophobicContact CD2-CD2 4.47Å; F378-Y422 HydrophobicContact CD2-CE2 4.24Å; F378-Y422 HydrophobicContact CE2-CD2 4.34Å; F378-Y422 AromaticContact CE2-CE2 3.69Å; F378-Y422 HydrophobicContact CE2-CE2 3.69Å
379K95.3Very high95.5Very high80 Ų8026 Ų2635%0.34814%0.135SC..Hα-helixtrans-53.5-43.4173.6-77.5172.7172.2167.10111.9Q375 I381 C382 E383 V419Q375-K379 WeakPolarHBondContact O-CB 3.18Å; Q375-K379 VanDerWaalsContact O-CG 3.29Å; Q375-K379 WeakPolarHBondContact O-CG 3.32Å; Q375-K379 PolarHBondContact O-N 3.31Å; K379-I381 PolarHBondContact O-N 2.94Å; K379-C382 WeakPolarHBondContact O-CB 3.19Å; K379-C382 PolarHBondContact O-N 3.01Å; K379-E383 VanDerWaalsContact O-CG 3.32Å; K379-E383 WeakPolarHBondContact O-CG 3.46Å; K379-E383 PolarHBondContact O-N 3.03Å; K379-V419 HydrophobicContact CD-CG1 4.21Å; K379-V419 HydrophobicContact CG-CG1 3.93Å; K379-V419 HydrophobicContact CG-CG2 4.18Å
380R93.5Very high95.5Very high45 Ų4535.8 Ų35.817%0.1717%0.172CC..Hα-helixtrans-61.4-42.2176.9-173.9-177.270.6-170.4-0.4112.3D203 E205 V376 L377 F378 Q384D203-R380 IonicContact OD1-NH2 2.81Å; D203-R380 IonicContact OD2-CZ 3.79Å; D203-R380 VanDerWaalsContact OD2-CZ 3.27Å; D203-R380 IonicContact OD2-NH1 2.88Å; D203-R380 PolarHBondContact OD2-NH1 3.12Å; D203-R380 IonicContact OD2-NH2 3.68Å; D203-R380 PolarHBondContact OD2-NH2 3.38Å; E205-R380 IonicContact OE2-NH1 2.7Å; V376-R380 WeakPolarHBondContact O-CB 3.43Å; V376-R380 PolarHBondContact O-N 3.48Å; L377-R380 VanDerWaalsContact CD1-NH2 3.25Å; L377-R380 WeakPolarHBondContact O-CB 3.34Å; L377-R380 PolarHBondContact O-N 3.04Å; F378-R380 VanDerWaalsContact C-N 3.26Å; F378-R380 PolarHBondContact O-N 3.01Å; R380-Q384 WeakPolarHBondContact O-CG 3.39Å; R380-Q384 PolarHBondContact O-N 2.82Å
381I94.3Very high95.4Very high4 Ų445.8 Ų45.82%0.02121%0.209CC..Hα-helixtrans-67.1-47.1176.7-63.8166.2000109.9V170 A185 T186 L377 F378 K379 E383 Q384 F385 M415V170-I381 HydrophobicContact CG1-CD1 3.98Å; A185-I381 HydrophobicContact CB-CD1 4.27Å; A185-I381 HydrophobicContact CB-CG2 3.85Å; T186-I381 WeakPolarHBondContact OG1-CG2 3.3Å; L377-I381 WeakPolarHBondContact O-CG1 3.33Å; L377-I381 PolarHBondContact O-N 3.37Å; F378-I381 PolarHBondContact O-N 3.46Å; K379-I381 PolarHBondContact O-N 2.94Å; I381-E383 PolarHBondContact O-N 3.23Å; I381-Q384 PolarHBondContact O-N 2.94Å; I381-F385 VanDerWaalsContact O-CB 3.29Å; I381-F385 WeakPolarHBondContact O-CB 3.44Å; I381-F385 PolarHBondContact O-N 3.42Å; I381-M415 HydrophobicContact CB-SD 4.21Å; I381-M415 HydrophobicContact CG2-CE 4.05Å; I381-M415 HydrophobicContact CG2-SD 4.09Å
382C94.9Very high95.4Very high8 Ų851.4 Ų51.45%0.05423%0.234CC..Hα-helixtrans-52.6-51.6175.2-67.40000111.4F378 K379 Q384 F385 S386 M415 N416F378-C382 PolarHBondContact O-N 3.36Å; F378-C382 PolarHBondContact O-SG 3.04Å; F378-C382 VanDerWaalsContact O-SG 3.33Å; K379-C382 WeakPolarHBondContact O-CB 3.19Å; K379-C382 PolarHBondContact O-N 3.01Å; C382-Q384 VanDerWaalsContact C-N 3.31Å; C382-Q384 PolarHBondContact O-N 2.57Å; C382-F385 WeakPolarHBondContact O-CB 3.22Å; C382-F385 PolarHBondContact O-N 3.09Å; C382-S386 PolarHBondContact O-N 3.38Å; C382-S386 PolarHBondContact O-OG 3.09Å; C382-M415 HydrophobicContact CB-CE 4.13Å; C382-M415 WeakPolarHBondContact SG-CE 3.18Å; C382-M415 VanDerWaalsContact SG-CG 3.58Å; C382-M415 VanDerWaalsContact SG-SD 3.64Å; C382-N416 PolarHBondContact SG-OD1 3.48Å
383E94.9Very high95.3Very high141 Ų14152.8 Ų52.866%0.65925%0.246SC*.Hα-helixtrans-58.6-42.6-176.6-76.1174.3-175.500112.5K379 I381 A387K379-E383 VanDerWaalsContact O-CG 3.32Å; K379-E383 WeakPolarHBondContact O-CG 3.46Å; K379-E383 PolarHBondContact O-N 3.03Å; I381-E383 PolarHBondContact O-N 3.23Å; E383-A387 WeakPolarHBondContact O-CB 3.41Å; E383-A387 PolarHBondContact O-N 3.07Å
384Q94.1Very high95.2Very high58 Ų5856.1 Ų56.127%0.27126%0.26SS..Hα-helixtrans-68.8-43.9177.7-67.3172.43.900111.3P173 P182 R380 I381 C382 A387 M388P173-Q384 VanDerWaalsContact CG-NE2 3.33Å; P182-Q384 HydrophobicContact CB-CB 3.84Å; P182-Q384 HydrophobicContact CG-CB 3.72Å; R380-Q384 WeakPolarHBondContact O-CG 3.39Å; R380-Q384 PolarHBondContact O-N 2.82Å; I381-Q384 PolarHBondContact O-N 2.94Å; C382-Q384 VanDerWaalsContact C-N 3.31Å; C382-Q384 PolarHBondContact O-N 2.57Å; Q384-A387 PolarHBondContact O-N 2.79Å; Q384-M388 WeakPolarHBondContact O-CG 3.41Å; Q384-M388 PolarHBondContact O-N 3.25Å
385F95.6Very high95.2Very high0 Ų056.5 Ų56.50%026%0.262CS..Hα-helixtrans-56.4-55.8174.6174.1-82.7000111.2P182 Y183 T186 I381 C382 A387 M388 F389 F408 E412P182-F385 HydrophobicContact CB-CB 4.39Å; Y183-F385 AromaticContact CD1-CD2 3.48Å; Y183-F385 HydrophobicContact CD1-CD2 3.48Å; Y183-F385 VanDerWaalsContact CD1-CD2 3.48Å; Y183-F385 AromaticContact CD1-CE2 3.53Å; Y183-F385 HydrophobicContact CD1-CE2 3.53Å; Y183-F385 HydrophobicContact CD1-CG 4.37Å; Y183-F385 HydrophobicContact CD1-CZ 4.44Å; Y183-F385 HydrophobicContact CE1-CD2 4.04Å; Y183-F385 HydrophobicContact CE1-CE2 4.01Å; T186-F385 VanDerWaalsContact CB-CD2 3.49Å; T186-F385 HydrophobicContact CG2-CD2 3.67Å; T186-F385 HydrophobicContact CG2-CE2 3.61Å; T186-F385 HydrophobicContact CG2-CG 4.28Å; T186-F385 HydrophobicContact CG2-CZ 4.21Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.32Å; I381-F385 VanDerWaalsContact O-CB 3.29Å; I381-F385 WeakPolarHBondContact O-CB 3.44Å; I381-F385 PolarHBondContact O-N 3.42Å; C382-F385 WeakPolarHBondContact O-CB 3.22Å; C382-F385 PolarHBondContact O-N 3.09Å; F385-A387 PolarHBondContact O-N 2.86Å; F385-M388 PolarHBondContact O-N 3.02Å; F385-F389 HydrophobicContact CD1-CB 4.29Å; F385-F389 HydrophobicContact CE1-CB 3.93Å; F385-F389 HydrophobicContact CE1-CD1 4.37Å; F385-F389 HydrophobicContact CE1-CG 4.05Å; F385-F389 HydrophobicContact CZ-CB 4.36Å; F385-F389 HydrophobicContact CZ-CD2 4.3Å; F385-F389 HydrophobicContact CZ-CG 4.24Å; F385-F389 WeakPolarHBondContact O-CB 3.46Å; F385-F389 PolarHBondContact O-N 3.27Å; F385-F408 AromaticContact CE2-CD1 3.78Å; F385-F408 HydrophobicContact CE2-CD1 3.78Å; F385-F408 HydrophobicContact CZ-CB 3.98Å; F385-F408 AromaticContact CZ-CD1 3.97Å; F385-F408 HydrophobicContact CZ-CD1 3.97Å; F385-F408 WeakPolarHBondContact CZ-O 3.47Å; F385-E412 HydrophobicContact CD1-CB 4.18Å; F385-E412 HydrophobicContact CD1-CG 4.01Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.29Å; F385-E412 HydrophobicContact CE1-CB 3.63Å; F385-E412 VanDerWaalsContact CE1-CD 3.45Å; F385-E412 HydrophobicContact CE1-CG 3.85Å; F385-E412 HydrophobicContact CZ-CB 4.13Å
386S96.2Very high95.2Very high30 Ų3061.9 Ų61.921%0.2129%0.287CS..Hα-helixtrans-62.9-33.5-175.7-47.50000111.5C382 R390 E412C382-S386 PolarHBondContact O-N 3.38Å; C382-S386 PolarHBondContact O-OG 3.09Å; S386-R390 WeakPolarHBondContact O-CB 3.31Å; S386-R390 PolarHBondContact O-N 3.22Å; S386-E412 WeakPolarHBondContact CB-OE1 3.17Å; S386-E412 PolarHBondContact OG-OE1 3.12Å
387A94.7Very high95.3Very high48 Ų4864 Ų6440%0.39729%0.288SS..Hα-helixtrans-64.6-39.3175.700000112.4E383 Q384 F385E383-A387 WeakPolarHBondContact O-CB 3.41Å; E383-A387 PolarHBondContact O-N 3.07Å; Q384-A387 PolarHBondContact O-N 2.79Å; F385-A387 PolarHBondContact O-N 2.86Å
388M95.1Very high95.5Very high29 Ų2963.9 Ų63.914%0.14329%0.288CS..Hα-helixtrans-74.1-47.8175.6-68.2-178.261.400112V179 P182 Y183 Q384 F385 R390 R391 K392 A393 F394V179-M388 WeakPolarHBondContact O-CE 3.15Å; V179-M388 VanDerWaalsContact O-SD 3.37Å; P182-M388 HydrophobicContact CB-SD 4.05Å; P182-M388 HydrophobicContact CG-SD 3.73Å; Y183-M388 HydrophobicContact CD2-CE 4.22Å; Y183-M388 HydrophobicContact CE1-CB 3.95Å; Y183-M388 HydrophobicContact CE2-CE 3.97Å; Y183-M388 VanDerWaalsContact OH-C 3.26Å; Y183-M388 PolarHBondContact OH-O 3.04Å; Q384-M388 WeakPolarHBondContact O-CG 3.41Å; Q384-M388 PolarHBondContact O-N 3.25Å; F385-M388 PolarHBondContact O-N 3.02Å; M388-R390 PolarHBondContact O-N 3.07Å; M388-R391 PolarHBondContact O-N 3.41Å; M388-R391 VanDerWaalsContact O-N 3.09Å; M388-K392 PolarHBondContact O-N 2.91Å; M388-A393 PolarHBondContact O-N 3.08Å; M388-A393 VanDerWaalsContact O-N 3.12Å; M388-F394 HydrophobicContact CE-CD2 3.89Å
389F96.4Very high95.6Very high31 Ų3166.5 Ų66.514%0.13630%0.304CS..Hα-helixtrans-63.4-41.6-174.6-167.7-112.3000112Y183 F385 R391 K392 L395 E405 F408 T409Y183-F389 HydrophobicContact CE1-CB 4.05Å; Y183-F389 HydrophobicContact CE1-CD2 4.23Å; Y183-F389 VanDerWaalsContact OH-CA 3.32Å; Y183-F389 WeakPolarHBondContact OH-CA 3.46Å; Y183-F389 PolarHBondContact OH-N 2.91Å; F385-F389 HydrophobicContact CD1-CB 4.29Å; F385-F389 HydrophobicContact CE1-CB 3.93Å; F385-F389 HydrophobicContact CE1-CD1 4.37Å; F385-F389 HydrophobicContact CE1-CG 4.05Å; F385-F389 HydrophobicContact CZ-CB 4.36Å; F385-F389 HydrophobicContact CZ-CD2 4.3Å; F385-F389 HydrophobicContact CZ-CG 4.24Å; F385-F389 WeakPolarHBondContact O-CB 3.46Å; F385-F389 PolarHBondContact O-N 3.27Å; F389-R391 PolarHBondContact O-N 3.32Å; F389-R391 VanDerWaalsContact O-N 3.11Å; F389-K392 WeakPolarHBondContact O-CA 3.48Å; F389-K392 PolarHBondContact O-N 3.36Å; F389-L395 HydrophobicContact CD2-CD1 4.36Å; F389-L395 HydrophobicContact CE2-CD1 3.97Å; F389-L395 HydrophobicContact CE2-CD2 4.31Å; F389-E405 HydrophobicContact CE2-CG 4.22Å; F389-E405 HydrophobicContact CZ-CG 4.01Å; F389-F408 HydrophobicContact CD2-CB 4.16Å; F389-F408 HydrophobicContact CD2-CD1 4.34Å; F389-F408 HydrophobicContact CD2-CG 4.34Å; F389-F408 HydrophobicContact CE2-CB 3.53Å; F389-F408 HydrophobicContact CE2-CD1 4.31Å; F389-F408 HydrophobicContact CE2-CD2 4.45Å; F389-F408 AromaticContact CE2-CG 3.86Å; F389-F408 HydrophobicContact CE2-CG 3.86Å; F389-F408 HydrophobicContact CZ-CB 3.93Å; F389-T409 HydrophobicContact CE1-CG2 3.73Å; F389-T409 HydrophobicContact CZ-CG2 3.86Å
390R95.9Very high95.6Very high205 Ų20566.8 Ų66.877%0.77432%0.316SS*.THydrogen-bonded Turntrans-57.5-29.5175.6-169.4-174.5-47.6174.96.2113.3S386 M388S386-R390 WeakPolarHBondContact O-CB 3.31Å; S386-R390 PolarHBondContact O-N 3.22Å; M388-R390 PolarHBondContact O-N 3.07Å
391R96.2Very high95.8Very high209 Ų20967 Ų6779%0.78932%0.319SS*.THydrogen-bonded Turntrans-93.2-1.3177.4-62.8177.9-178.8174.62.8112.6M388 F389 A393M388-R391 PolarHBondContact O-N 3.41Å; M388-R391 VanDerWaalsContact O-N 3.09Å; F389-R391 PolarHBondContact O-N 3.32Å; F389-R391 VanDerWaalsContact O-N 3.11Å; R391-A393 HydrophobicContact CB-CB 4.43Å; R391-A393 PolarHBondContact O-N 3.31Å; R391-A393 VanDerWaalsContact O-N 3.14Å
392K95.7Very high95.8Very high119 Ų11969.9 Ų69.952%0.51735%0.35SS..THydrogen-bonded Turntrans49.332.7-168.9-57.1-168.5175.8-124.60112.2M388 F389 F394 L395 E405M388-K392 PolarHBondContact O-N 2.91Å; F389-K392 WeakPolarHBondContact O-CA 3.48Å; F389-K392 PolarHBondContact O-N 3.36Å; K392-F394 PolarHBondContact O-N 2.92Å; K392-L395 HydrophobicContact CB-CB 4.45Å; K392-L395 HydrophobicContact CB-CD2 4.27Å; K392-L395 HydrophobicContact CD-CD2 4.4Å; K392-L395 HydrophobicContact CG-CD2 4.29Å; K392-L395 PolarHBondContact O-N 3.35Å; K392-E405 IonicContact NZ-OE1 2.72Å; K392-E405 PolarHBondContact NZ-OE1 3Å; K392-E405 IonicContact NZ-OE2 3.31Å; K392-E405 PolarHBondContact NZ-OE2 3.33Å
393A95.3Very high95.9Very high29 Ų2969.8 Ų69.824%0.2435%0.349CS..THydrogen-bonded Turntrans-66128.5-177.500000109.1Y183 M388 R391 L395Y183-A393 WeakPolarHBondContact CE2-O 3.26Å; Y183-A393 PolarHBondContact OH-O 3.39Å; M388-A393 PolarHBondContact O-N 3.08Å; M388-A393 VanDerWaalsContact O-N 3.12Å; R391-A393 HydrophobicContact CB-CB 4.43Å; R391-A393 PolarHBondContact O-N 3.31Å; R391-A393 VanDerWaalsContact O-N 3.14Å; A393-L395 PolarHBondContact O-N 3.34Å
394F95.7Very high96Very high69 Ų6966.8 Ų66.830%0.30334%0.337SS..THydrogen-bonded Turntrans57.35179.6-49.3-76000116.6V179 V180 M388 K392 H396 W397V179-F394 HydrophobicContact CB-CE2 4.15Å; V179-F394 HydrophobicContact CB-CZ 4.42Å; V179-F394 HydrophobicContact CG2-CD2 4.19Å; V179-F394 HydrophobicContact CG2-CE1 4.18Å; V179-F394 HydrophobicContact CG2-CE2 3.72Å; V179-F394 HydrophobicContact CG2-CZ 3.71Å; V180-F394 HydrophobicContact CG1-CB 3.78Å; V180-F394 HydrophobicContact CG1-CD2 4.18Å; V180-F394 HydrophobicContact CG1-CG 3.95Å; M388-F394 HydrophobicContact CE-CD2 3.89Å; K392-F394 PolarHBondContact O-N 2.92Å; F394-H396 PolarHBondContact O-N 3.49Å; F394-W397 HydrophobicContact CB-CD2 4.24Å; F394-W397 HydrophobicContact CB-CE3 4.27Å; F394-W397 HydrophobicContact CD1-CD2 4.09Å; F394-W397 AromaticContact CD1-CE2 3.84Å; F394-W397 HydrophobicContact CD1-CE3 4.09Å; F394-W397 AromaticContact CD1-CH2 3.64Å; F394-W397 HydrophobicContact CD1-CH2 3.64Å; F394-W397 AromaticContact CD1-CZ2 3.62Å; F394-W397 HydrophobicContact CD1-CZ2 3.62Å; F394-W397 AromaticContact CD1-CZ3 3.87Å; F394-W397 HydrophobicContact CD1-CZ3 3.87Å; F394-W397 AromaticContact CE1-CH2 3.85Å; F394-W397 HydrophobicContact CE1-CH2 3.85Å; F394-W397 AromaticContact CE1-CZ2 3.98Å; F394-W397 HydrophobicContact CE1-CZ2 3.98Å; F394-W397 HydrophobicContact CE1-CZ3 4.39Å; F394-W397 VanDerWaalsContact O-CB 3.32Å; F394-W397 WeakPolarHBondContact O-CB 3.44Å; F394-W397 PolarHBondContact O-N 3.06Å
395L95.5Very high96Very high9 Ų967.4 Ų67.45%0.04734%0.34CS..Hα-helixtrans-57.4-38.3-176.1-176.664.4000112.5F389 K392 A393 W397 Y398 T399 E405 F408F389-L395 HydrophobicContact CD2-CD1 4.36Å; F389-L395 HydrophobicContact CE2-CD1 3.97Å; F389-L395 HydrophobicContact CE2-CD2 4.31Å; K392-L395 HydrophobicContact CB-CB 4.45Å; K392-L395 HydrophobicContact CB-CD2 4.27Å; K392-L395 HydrophobicContact CD-CD2 4.4Å; K392-L395 HydrophobicContact CG-CD2 4.29Å; K392-L395 PolarHBondContact O-N 3.35Å; A393-L395 PolarHBondContact O-N 3.34Å; L395-W397 PolarHBondContact O-N 3.16Å; L395-W397 VanDerWaalsContact O-N 3.12Å; L395-Y398 PolarHBondContact O-N 3.18Å; L395-T399 HydrophobicContact CD1-CG2 4.48Å; L395-T399 HydrophobicContact CG-CG2 4.28Å; L395-T399 PolarHBondContact O-N 2.9Å; L395-T399 VanDerWaalsContact O-N 3.15Å; L395-E405 HydrophobicContact CD2-CG 3.95Å; L395-F408 HydrophobicContact CD1-CD1 4.4Å; L395-F408 HydrophobicContact CD1-CD2 3.76Å; L395-F408 HydrophobicContact CD1-CE1 4.17Å; L395-F408 HydrophobicContact CD1-CE2 3.48Å; L395-F408 VanDerWaalsContact CD1-CE2 3.48Å; L395-F408 HydrophobicContact CD1-CG 4.21Å; L395-F408 HydrophobicContact CD1-CZ 3.71Å
396H95.9Very high96Very high119 Ų11973.4 Ų73.455%0.55137%0.37SS*.Hα-helixtrans-60.4-1917768.6-74.5000114.4F394 Y398 T399 S400F394-H396 PolarHBondContact O-N 3.49Å; H396-Y398 VanDerWaalsContact C-N 3.31Å; H396-T399 WeakPolarHBondContact CA-OG1 3.36Å; H396-S400 WeakPolarHBondContact O-CB 3.49Å; H396-S400 PolarHBondContact O-N 3.06Å; H396-S400 VanDerWaalsContact O-N 3.17Å; H396-S400 PolarHBondContact O-OG 3.01Å
397W96.6Very high96.1Very high107 Ų10774.2 Ų74.241%0.40537%0.37SS..Hα-helixtrans-72.1-28.2173.7-64.6-0.8000111.7N100 V180 F394 L395 S400 E401N100-W397 PolarHBondContact ND2-O 2.95Å; V180-W397 HydrophobicContact CG1-CE3 4.05Å; V180-W397 HydrophobicContact CG1-CZ3 4.13Å; F394-W397 HydrophobicContact CB-CD2 4.24Å; F394-W397 HydrophobicContact CB-CE3 4.27Å; F394-W397 HydrophobicContact CD1-CD2 4.09Å; F394-W397 AromaticContact CD1-CE2 3.84Å; F394-W397 HydrophobicContact CD1-CE3 4.09Å; F394-W397 AromaticContact CD1-CH2 3.64Å; F394-W397 HydrophobicContact CD1-CH2 3.64Å; F394-W397 AromaticContact CD1-CZ2 3.62Å; F394-W397 HydrophobicContact CD1-CZ2 3.62Å; F394-W397 AromaticContact CD1-CZ3 3.87Å; F394-W397 HydrophobicContact CD1-CZ3 3.87Å; F394-W397 AromaticContact CE1-CH2 3.85Å; F394-W397 HydrophobicContact CE1-CH2 3.85Å; F394-W397 AromaticContact CE1-CZ2 3.98Å; F394-W397 HydrophobicContact CE1-CZ2 3.98Å; F394-W397 HydrophobicContact CE1-CZ3 4.39Å; F394-W397 VanDerWaalsContact O-CB 3.32Å; F394-W397 WeakPolarHBondContact O-CB 3.44Å; F394-W397 PolarHBondContact O-N 3.06Å; L395-W397 PolarHBondContact O-N 3.16Å; L395-W397 VanDerWaalsContact O-N 3.12Å; W397-S400 PolarHBondContact O-OG 3.12Å; W397-S400 VanDerWaalsContact O-OG 3.13Å; W397-E401 WeakPolarHBondContact O-CG 3.49Å
398Y98.2Very high96.2Very high0 Ų071.9 Ų71.90%035%0.351CS..Hα-helixtrans-88.9-45.7-179.6-68.3-109.8000110.4N100 W101 A102 V180 Y183 N184 L187 L395 H396 S400 E401 M403 F408N100-Y398 WeakPolarHBondContact OD1-CD1 3.32Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.41Å; W101-Y398 HydrophobicContact CB-CE1 3.99Å; A102-Y398 HydrophobicContact CB-CD1 3.79Å; A102-Y398 HydrophobicContact CB-CG 4.23Å; V180-Y398 HydrophobicContact CB-CE2 4.27Å; V180-Y398 VanDerWaalsContact CB-OH 3.32Å; V180-Y398 WeakPolarHBondContact CB-OH 3.42Å; V180-Y398 HydrophobicContact CG1-CE2 4.35Å; V180-Y398 WeakPolarHBondContact CG2-OH 3.41Å; V180-Y398 PolarHBondContact O-OH 3.13Å; Y183-Y398 HydrophobicContact CD2-CD2 4.22Å; Y183-Y398 AromaticContact CD2-CE2 3.64Å; Y183-Y398 HydrophobicContact CD2-CE2 3.64Å; Y183-Y398 AromaticContact CD2-CZ 3.95Å; Y183-Y398 HydrophobicContact CE2-CE2 4.46Å; Y183-Y398 HydrophobicContact CG-CE2 4.46Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.43Å; N184-Y398 PolarHBondContact OD1-OH 3.42Å; L187-Y398 HydrophobicContact CD1-CD1 4.19Å; L187-Y398 HydrophobicContact CD1-CE1 4.1Å; L395-Y398 PolarHBondContact O-N 3.18Å; H396-Y398 VanDerWaalsContact C-N 3.31Å; Y398-S400 VanDerWaalsContact C-N 3.26Å; Y398-S400 PolarHBondContact O-N 2.97Å; Y398-E401 WeakPolarHBondContact O-CB 3.42Å; Y398-E401 PolarHBondContact O-N 2.73Å; Y398-M403 HydrophobicContact CD1-SD 4.04Å; Y398-M403 WeakPolarHBondContact O-CB 3.26Å; Y398-F408 HydrophobicContact CD1-CE1 4.3Å; Y398-F408 AromaticContact CD1-CZ 3.67Å; Y398-F408 HydrophobicContact CD1-CZ 3.67Å; Y398-F408 HydrophobicContact CD2-CZ 4.19Å; Y398-F408 HydrophobicContact CE1-CZ 4.42Å; Y398-F408 HydrophobicContact CG-CE1 4.4Å; Y398-F408 HydrophobicContact CG-CE2 4.44Å; Y398-F408 AromaticContact CG-CZ 3.56Å; Y398-F408 HydrophobicContact CG-CZ 3.56Å
399T97Very high96.3Very high56 Ų5673.7 Ų73.734%0.34436%0.363SS..Hα-helixtrans-68.9-24.8179.962.30000112.9L395 H396 E401 G402 M403L395-T399 HydrophobicContact CD1-CG2 4.48Å; L395-T399 HydrophobicContact CG-CG2 4.28Å; L395-T399 PolarHBondContact O-N 2.9Å; L395-T399 VanDerWaalsContact O-N 3.15Å; H396-T399 WeakPolarHBondContact CA-OG1 3.36Å; T399-E401 PolarHBondContact O-N 2.91Å; T399-G402 PolarHBondContact O-N 3.05Å; T399-G402 VanDerWaalsContact O-N 3.16Å; T399-M403 WeakPolarHBondContact CA-O 3.42Å
400S96.5Very high96.4Very high87 Ų8777.8 Ų77.861%0.60838%0.383SS*.THydrogen-bonded Turntrans-66.5-22.6171.361.60000113.7H396 W397 Y398 G402H396-S400 WeakPolarHBondContact O-CB 3.49Å; H396-S400 PolarHBondContact O-N 3.06Å; H396-S400 VanDerWaalsContact O-N 3.17Å; H396-S400 PolarHBondContact O-OG 3.01Å; W397-S400 PolarHBondContact O-OG 3.12Å; W397-S400 VanDerWaalsContact O-OG 3.13Å; Y398-S400 VanDerWaalsContact C-N 3.26Å; Y398-S400 PolarHBondContact O-N 2.97Å; S400-G402 VanDerWaalsContact C-N 3.27Å
401E96.5Very high96.5Very high49 Ų4968 Ų6823%0.22935%0.347CS..THydrogen-bonded Turntrans-86.82.4175.9-56.5-67.4147.600112A102 K103 Y106 T107 W397 Y398 T399A102-E401 HydrophobicContact CB-CB 3.9Å; A102-E401 HydrophobicContact CB-CG 4.31Å; K103-E401 HydrophobicContact CB-CG 4.05Å; Y106-E401 WeakPolarHBondContact CB-O 3.43Å; T107-E401 HydrophobicContact CG2-CB 4.23Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.4Å; T107-E401 PolarHBondContact OG1-OE2 3.35Å; W397-E401 WeakPolarHBondContact O-CG 3.49Å; Y398-E401 WeakPolarHBondContact O-CB 3.42Å; Y398-E401 PolarHBondContact O-N 2.73Å; T399-E401 PolarHBondContact O-N 2.91Å
402G94.8Very high96.5Very high65 Ų6559.9 Ų59.967%0.6732%0.317SS*.THydrogen-bonded Turntrans99.50.3176.700000115.5T399 S400T399-G402 PolarHBondContact O-N 3.05Å; T399-G402 VanDerWaalsContact O-N 3.16Å; S400-G402 VanDerWaalsContact C-N 3.27Å
403M97.2Very high96.6Very high6 Ų657 Ų573%0.0331%0.312CS..  trans-71.5139.5177.9-175178.2173.600112.1W101 A102 Y106 L187 Y398 T399 E407 F408W101-M403 HydrophobicContact CE3-SD 4.12Å; W101-M403 HydrophobicContact CZ3-CE 4.32Å; W101-M403 HydrophobicContact CZ3-SD 4.03Å; A102-M403 HydrophobicContact CB-CB 4.05Å; A102-M403 HydrophobicContact CB-SD 4Å; Y106-M403 HydrophobicContact CD2-CB 3.9Å; Y106-M403 HydrophobicContact CD2-CG 4.44Å; Y106-M403 HydrophobicContact CE2-CB 3.64Å; Y106-M403 HydrophobicContact CE2-CG 3.72Å; Y106-M403 HydrophobicContact CE2-SD 4.4Å; L187-M403 HydrophobicContact CD1-CE 3.61Å; L187-M403 HydrophobicContact CD1-SD 4.05Å; L187-M403 HydrophobicContact CD2-CE 3.36Å; L187-M403 HydrophobicContact CG-CE 4.13Å; Y398-M403 HydrophobicContact CD1-SD 4.04Å; Y398-M403 WeakPolarHBondContact O-CB 3.26Å; T399-M403 WeakPolarHBondContact CA-O 3.42Å; M403-E407 HydrophobicContact CE-CB 3.58Å; M403-F408 HydrophobicContact CE-CD2 3.6Å; M403-F408 HydrophobicContact CE-CE1 4.35Å; M403-F408 HydrophobicContact CE-CE2 3.38Å; M403-F408 HydrophobicContact CE-CG 4.18Å; M403-F408 HydrophobicContact CE-CZ 3.78Å; M403-F408 HydrophobicContact CG-CE2 4.26Å; M403-F408 HydrophobicContact SD-CD2 4.36Å; M403-F408 HydrophobicContact SD-CE2 3.57Å; M403-F408 VanDerWaalsContact SD-CE2 3.57Å; M403-F408 HydrophobicContact SD-CZ 3.81Å
404D96.4Very high96.8Very high78 Ų7856.4 Ų56.442%0.41731%0.305SS..  trans-79.5142.2174.9-163-39.5000111.1M406 E407D404-M406 PolarHBondContact O-N 3.04Å; D404-M406 PolarHBondContact OD1-N 3.36Å; D404-M406 WeakPolarHBondContact OD2-CE 3.48Å; D404-E407 HydrophobicContact CB-CG 4.27Å; D404-E407 PolarHBondContact N-OE1 2.91Å; D404-E407 WeakPolarHBondContact O-CB 3.5Å; D404-E407 PolarHBondContact O-N 2.97Å
405E94.6Very high96.9Very high71 Ų7153.2 Ų53.233%0.33229%0.291SS..Hα-helixtrans-62.1-27.7173.6-174.7171.7171.200111.5F389 K392 L395 E407 F408F389-E405 HydrophobicContact CE2-CG 4.22Å; F389-E405 HydrophobicContact CZ-CG 4.01Å; K392-E405 IonicContact NZ-OE1 2.72Å; K392-E405 PolarHBondContact NZ-OE1 3Å; K392-E405 IonicContact NZ-OE2 3.31Å; K392-E405 PolarHBondContact NZ-OE2 3.33Å; L395-E405 HydrophobicContact CD2-CG 3.95Å; E405-E407 VanDerWaalsContact C-N 3.29Å; E405-E407 PolarHBondContact O-N 2.88Å; E405-F408 WeakPolarHBondContact O-CB 3.15Å; E405-F408 PolarHBondContact O-N 3.34Å
406M96.3Very high97Very high126 Ų12656 Ų5662%0.62131%0.306SS*.Hα-helixtrans-64.8-30.1177.7-69.8-173.8-73.600113.3D404 F408 T409 E410D404-M406 PolarHBondContact O-N 3.04Å; D404-M406 PolarHBondContact OD1-N 3.36Å; D404-M406 WeakPolarHBondContact OD2-CE 3.48Å; M406-F408 PolarHBondContact O-N 3.49Å; M406-T409 PolarHBondContact O-N 3.06Å; M406-T409 VanDerWaalsContact O-N 3.09Å; M406-T409 PolarHBondContact O-OG1 3.5Å; M406-E410 PolarHBondContact O-N 3.34Å
407E97.6Very high97.1Very high46 Ų4654.1 Ų54.122%0.21530%0.3CS..Hα-helixtrans-63.7-32.2178-67.1175.1-121.600112.2Y106 M403 D404 E405 T409 E410 A411Y106-E407 PolarHBondContact OH-OE1 2.87Å; Y106-E407 VanDerWaalsContact OH-OE1 3.12Å; Y106-E407 PolarHBondContact OH-OE2 2.8Å; M403-E407 HydrophobicContact CE-CB 3.58Å; D404-E407 HydrophobicContact CB-CG 4.27Å; D404-E407 PolarHBondContact N-OE1 2.91Å; D404-E407 WeakPolarHBondContact O-CB 3.5Å; D404-E407 PolarHBondContact O-N 2.97Å; E405-E407 VanDerWaalsContact C-N 3.29Å; E405-E407 PolarHBondContact O-N 2.88Å; E407-T409 VanDerWaalsContact C-N 3.34Å; E407-E410 PolarHBondContact O-N 3.28Å; E407-A411 VanDerWaalsContact O-CB 3.3Å; E407-A411 WeakPolarHBondContact O-CB 3.33Å; E407-A411 PolarHBondContact O-N 2.78Å
408F97.7Very high97.1Very high0 Ų049 Ų490%028%0.281CS..Hα-helixtrans-62-45.1173.3-76.2-89.1000111.3Y183 L187 F385 F389 L395 Y398 M403 E405 M406 A411 E412Y183-F408 HydrophobicContact CD1-CD1 4.12Å; Y183-F408 AromaticContact CD1-CE1 3.92Å; Y183-F408 HydrophobicContact CD1-CE1 3.92Å; Y183-F408 HydrophobicContact CD2-CE1 4.11Å; Y183-F408 HydrophobicContact CE1-CD1 4.42Å; Y183-F408 HydrophobicContact CE1-CE1 4.37Å; Y183-F408 HydrophobicContact CG-CD1 4.44Å; Y183-F408 AromaticContact CG-CE1 3.78Å; Y183-F408 HydrophobicContact CG-CE1 3.78Å; L187-F408 HydrophobicContact CD1-CE1 4.07Å; L187-F408 HydrophobicContact CD1-CZ 4.33Å; F385-F408 AromaticContact CE2-CD1 3.78Å; F385-F408 HydrophobicContact CE2-CD1 3.78Å; F385-F408 HydrophobicContact CZ-CB 3.98Å; F385-F408 AromaticContact CZ-CD1 3.97Å; F385-F408 HydrophobicContact CZ-CD1 3.97Å; F385-F408 WeakPolarHBondContact CZ-O 3.47Å; F389-F408 HydrophobicContact CD2-CB 4.16Å; F389-F408 HydrophobicContact CD2-CD1 4.34Å; F389-F408 HydrophobicContact CD2-CG 4.34Å; F389-F408 HydrophobicContact CE2-CB 3.53Å; F389-F408 HydrophobicContact CE2-CD1 4.31Å; F389-F408 HydrophobicContact CE2-CD2 4.45Å; F389-F408 AromaticContact CE2-CG 3.86Å; F389-F408 HydrophobicContact CE2-CG 3.86Å; F389-F408 HydrophobicContact CZ-CB 3.93Å; L395-F408 HydrophobicContact CD1-CD1 4.4Å; L395-F408 HydrophobicContact CD1-CD2 3.76Å; L395-F408 HydrophobicContact CD1-CE1 4.17Å; L395-F408 HydrophobicContact CD1-CE2 3.48Å; L395-F408 VanDerWaalsContact CD1-CE2 3.48Å; L395-F408 HydrophobicContact CD1-CG 4.21Å; L395-F408 HydrophobicContact CD1-CZ 3.71Å; Y398-F408 HydrophobicContact CD1-CE1 4.3Å; Y398-F408 AromaticContact CD1-CZ 3.67Å; Y398-F408 HydrophobicContact CD1-CZ 3.67Å; Y398-F408 HydrophobicContact CD2-CZ 4.19Å; Y398-F408 HydrophobicContact CE1-CZ 4.42Å; Y398-F408 HydrophobicContact CG-CE1 4.4Å; Y398-F408 HydrophobicContact CG-CE2 4.44Å; Y398-F408 AromaticContact CG-CZ 3.56Å; Y398-F408 HydrophobicContact CG-CZ 3.56Å; M403-F408 HydrophobicContact CE-CD2 3.6Å; M403-F408 HydrophobicContact CE-CE1 4.35Å; M403-F408 HydrophobicContact CE-CE2 3.38Å; M403-F408 HydrophobicContact CE-CG 4.18Å; M403-F408 HydrophobicContact CE-CZ 3.78Å; M403-F408 HydrophobicContact CG-CE2 4.26Å; M403-F408 HydrophobicContact SD-CD2 4.36Å; M403-F408 HydrophobicContact SD-CE2 3.57Å; M403-F408 VanDerWaalsContact SD-CE2 3.57Å; M403-F408 HydrophobicContact SD-CZ 3.81Å; E405-F408 WeakPolarHBondContact O-CB 3.15Å; E405-F408 PolarHBondContact O-N 3.34Å; M406-F408 PolarHBondContact O-N 3.49Å; F408-A411 PolarHBondContact O-N 3.03Å; F408-E412 WeakPolarHBondContact O-CB 3.44Å; F408-E412 PolarHBondContact O-N 3.05Å
409T96.6Very high97.1Very high66 Ų6649.6 Ų49.641%0.40528%0.284SS..Hα-helixtrans-70.5-35.4-179.154.90000112F389 M406 E407 S413F389-T409 HydrophobicContact CE1-CG2 3.73Å; F389-T409 HydrophobicContact CZ-CG2 3.86Å; M406-T409 PolarHBondContact O-N 3.06Å; M406-T409 VanDerWaalsContact O-N 3.09Å; M406-T409 PolarHBondContact O-OG1 3.5Å; E407-T409 VanDerWaalsContact C-N 3.34Å; T409-S413 WeakPolarHBondContact O-CB 3.4Å; T409-S413 PolarHBondContact O-N 3.43Å
410E97.9Very high97.2Very high117 Ų11750.2 Ų50.255%0.54729%0.291SS..Hα-helixtrans-66.2-44.8174.6-176175.4-178.300111.4M406 E407 S413 N414M406-E410 PolarHBondContact O-N 3.34Å; E407-E410 PolarHBondContact O-N 3.28Å; E410-S413 PolarHBondContact O-N 2.76Å; E410-N414 WeakPolarHBondContact O-CB 3.41Å; E410-N414 PolarHBondContact O-N 3.14Å
411A97.9Very high97.2Very high1 Ų148.2 Ų48.21%0.00827%0.272CS..Hα-helixtrans-63.4-42.1176.600000112.6T186 L187 H190 E407 F408 M415T186-A411 HydrophobicContact CG2-CB 3.79Å; L187-A411 HydrophobicContact CD2-CB 3.83Å; H190-A411 HydrophobicContact CB-CB 3.68Å; E407-A411 VanDerWaalsContact O-CB 3.3Å; E407-A411 WeakPolarHBondContact O-CB 3.33Å; E407-A411 PolarHBondContact O-N 2.78Å; F408-A411 PolarHBondContact O-N 3.03Å; A411-M415 WeakPolarHBondContact O-CB 3.46Å; A411-M415 PolarHBondContact O-N 3.08Å; A411-M415 VanDerWaalsContact O-N 3.09Å
412E97.6Very high97.2Very high38 Ų3845.9 Ų45.918%0.17826%0.261CS..Hα-helixtrans-62.5-43.4173.3-175.2178.2-139.900111.6F385 S386 F408 M415 N416F385-E412 HydrophobicContact CD1-CB 4.18Å; F385-E412 HydrophobicContact CD1-CG 4.01Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.29Å; F385-E412 HydrophobicContact CE1-CB 3.63Å; F385-E412 VanDerWaalsContact CE1-CD 3.45Å; F385-E412 HydrophobicContact CE1-CG 3.85Å; F385-E412 HydrophobicContact CZ-CB 4.13Å; S386-E412 WeakPolarHBondContact CB-OE1 3.17Å; S386-E412 PolarHBondContact OG-OE1 3.12Å; F408-E412 WeakPolarHBondContact O-CB 3.44Å; F408-E412 PolarHBondContact O-N 3.05Å; E412-M415 PolarHBondContact O-N 3.28Å; E412-N416 VanDerWaalsContact O-CG 3.31Å; E412-N416 PolarHBondContact O-N 3.08Å; E412-N416 PolarHBondContact O-ND2 3.43Å
413S97.9Very high97.3Very high59 Ų5945.5 Ų45.541%0.41324%0.242SC..Hα-helixtrans-60.5-51.8176.6-165.60000111.3T409 E410 M415 N416 D417T409-S413 WeakPolarHBondContact O-CB 3.4Å; T409-S413 PolarHBondContact O-N 3.43Å; E410-S413 PolarHBondContact O-N 2.76Å; S413-M415 PolarHBondContact O-N 2.81Å; S413-N416 WeakPolarHBondContact O-CB 3.37Å; S413-N416 PolarHBondContact O-N 3.5Å; S413-D417 VanDerWaalsContact O-CG 3.29Å; S413-D417 PolarHBondContact O-N 3.26Å
414N98.2Very high97.3Very high16 Ų1651 Ų519%0.08627%0.267CS..Hα-helixtrans-59-38.3-179-16515.1000111.7H190 E194 R262 E410 D417 L418H190-N414 WeakPolarHBondContact ND1-CB 3.5Å; H190-N414 PolarHBondContact ND1-ND2 3.06Å; E194-N414 PolarHBondContact OE1-ND2 3.43Å; R262-N414 PolarHBondContact NH1-OD1 2.9Å; R262-N414 PolarHBondContact NH2-OD1 3.18Å; E410-N414 WeakPolarHBondContact O-CB 3.41Å; E410-N414 PolarHBondContact O-N 3.14Å; N414-D417 PolarHBondContact O-N 3.38Å; N414-L418 WeakPolarHBondContact O-CB 3.48Å; N414-L418 PolarHBondContact O-N 2.85Å
415M97.4Very high97.2Very high1 Ų149.4 Ų49.41%0.00526%0.256CS..Hα-helixtrans-69.2-36176.2-174.317044.600112.6T186 V189 F378 I381 C382 A411 E412 S413 V419T186-M415 HydrophobicContact CG2-CE 3.74Å; T186-M415 VanDerWaalsContact OG1-CE 3.22Å; T186-M415 WeakPolarHBondContact OG1-CE 3.38Å; V189-M415 HydrophobicContact CG1-CG 4.43Å; V189-M415 HydrophobicContact CG1-SD 4.4Å; F378-M415 HydrophobicContact CB-CG 4Å; F378-M415 HydrophobicContact CB-SD 4.18Å; F378-M415 HydrophobicContact CD1-SD 4.45Å; I381-M415 HydrophobicContact CB-SD 4.21Å; I381-M415 HydrophobicContact CG2-CE 4.05Å; I381-M415 HydrophobicContact CG2-SD 4.09Å; C382-M415 HydrophobicContact CB-CE 4.13Å; C382-M415 WeakPolarHBondContact SG-CE 3.18Å; C382-M415 VanDerWaalsContact SG-CG 3.58Å; C382-M415 VanDerWaalsContact SG-SD 3.64Å; A411-M415 WeakPolarHBondContact O-CB 3.46Å; A411-M415 PolarHBondContact O-N 3.08Å; A411-M415 VanDerWaalsContact O-N 3.09Å; E412-M415 PolarHBondContact O-N 3.28Å; S413-M415 PolarHBondContact O-N 2.81Å; M415-V419 VanDerWaalsContact O-CG2 3.32Å; M415-V419 WeakPolarHBondContact O-CG2 3.45Å; M415-V419 PolarHBondContact O-N 3.06Å
416N97.8Very high97.1Very high67 Ų6747.9 Ų47.936%0.35825%0.249SC..Hα-helixtrans-69.6-36.2173.8-71.2-38.9000112.3C382 E412 S413 V419 S420C382-N416 PolarHBondContact SG-OD1 3.48Å; E412-N416 VanDerWaalsContact O-CG 3.31Å; E412-N416 PolarHBondContact O-N 3.08Å; E412-N416 PolarHBondContact O-ND2 3.43Å; S413-N416 WeakPolarHBondContact O-CB 3.37Å; S413-N416 PolarHBondContact O-N 3.5Å; N416-V419 PolarHBondContact O-N 3.43Å; N416-S420 PolarHBondContact O-N 3.44Å; N416-S420 PolarHBondContact O-OG 2.99Å
417D98Very high96.9Very high80 Ų8046.7 Ų46.743%0.42825%0.245SC..Hα-helixtrans-64.4-46.7174.2-64.6-28.6000110.1S413 N414 V419 S420 E421S413-D417 VanDerWaalsContact O-CG 3.29Å; S413-D417 PolarHBondContact O-N 3.26Å; N414-D417 PolarHBondContact O-N 3.38Å; D417-V419 VanDerWaalsContact C-N 3.31Å; D417-V419 PolarHBondContact O-N 2.87Å; D417-S420 CarbonylContact O-C 3.45Å; D417-S420 WeakPolarHBondContact O-CA 3.5Å; D417-S420 WeakPolarHBondContact O-CB 3.45Å; D417-S420 PolarHBondContact O-N 2.92Å; D417-E421 WeakPolarHBondContact O-CG 3.49Å; D417-E421 PolarHBondContact O-N 2.88Å
418L98Very high96.5Very high0 Ų045.7 Ų45.70%025%0.245CC..Hα-helixtrans-54.9-45172.9179.268.9000112.3V189 V193 R262 F265 F378 N414 S420 E421 Y422V189-L418 HydrophobicContact CG1-CD2 4.46Å; V193-L418 HydrophobicContact CG2-CD1 4.47Å; V193-L418 HydrophobicContact CG2-CD2 3.72Å; R262-L418 HydrophobicContact CB-CD1 4.24Å; R262-L418 VanDerWaalsContact O-CD1 3.3Å; R262-L418 WeakPolarHBondContact O-CD1 3.38Å; F265-L418 HydrophobicContact CD2-CD2 4.46Å; F265-L418 HydrophobicContact CE2-CD1 4.5Å; F265-L418 HydrophobicContact CE2-CD2 3.92Å; F265-L418 HydrophobicContact CZ-CD2 4.45Å; F378-L418 HydrophobicContact CD1-CD2 4.43Å; F378-L418 HydrophobicContact CD2-CD2 3.81Å; F378-L418 HydrophobicContact CD2-CG 4.43Å; F378-L418 HydrophobicContact CE1-CD2 4.25Å; F378-L418 HydrophobicContact CE2-CD2 3.62Å; F378-L418 HydrophobicContact CE2-CG 4.38Å; F378-L418 HydrophobicContact CG-CD2 4.24Å; F378-L418 HydrophobicContact CZ-CD2 3.86Å; N414-L418 WeakPolarHBondContact O-CB 3.48Å; N414-L418 PolarHBondContact O-N 2.85Å; L418-S420 VanDerWaalsContact C-N 3.28Å; L418-S420 PolarHBondContact O-N 3.26Å; L418-E421 PolarHBondContact O-N 2.76Å; L418-Y422 HydrophobicContact CD1-CD2 4.16Å; L418-Y422 HydrophobicContact CD1-CE2 3.76Å; L418-Y422 HydrophobicContact CD2-CE2 4.33Å; L418-Y422 HydrophobicContact CG-CD2 4.04Å; L418-Y422 HydrophobicContact CG-CE2 3.86Å; L418-Y422 VanDerWaalsContact O-CD2 3.27Å; L418-Y422 WeakPolarHBondContact O-CD2 3.49Å; L418-Y422 PolarHBondContact O-N 2.88Å
419V97.7Very high95.7Very high12 Ų1248.4 Ų48.47%0.07326%0.261CS..Hα-helixtrans-60.9-40.1175.8163.20000111.4Q375 F378 K379 M415 N416 D417 Y422 Q423Q375-V419 HydrophobicContact CB-CG1 4.48Å; F378-V419 HydrophobicContact CB-CG2 3.61Å; K379-V419 HydrophobicContact CD-CG1 4.21Å; K379-V419 HydrophobicContact CG-CG1 3.93Å; K379-V419 HydrophobicContact CG-CG2 4.18Å; M415-V419 VanDerWaalsContact O-CG2 3.32Å; M415-V419 WeakPolarHBondContact O-CG2 3.45Å; M415-V419 PolarHBondContact O-N 3.06Å; N416-V419 PolarHBondContact O-N 3.43Å; D417-V419 VanDerWaalsContact C-N 3.31Å; D417-V419 PolarHBondContact O-N 2.87Å; V419-Y422 PolarHBondContact O-N 2.71Å; V419-Q423 PolarHBondContact O-N 3.09Å
420S97.7Very high94.7Very high70 Ų7048.3 Ų48.349%0.4926%0.261SS..Hα-helixtrans-68.2-39.8179.2-57.20000111.6N416 D417 L418 Q423 Q424N416-S420 PolarHBondContact O-N 3.44Å; N416-S420 PolarHBondContact O-OG 2.99Å; D417-S420 CarbonylContact O-C 3.45Å; D417-S420 WeakPolarHBondContact O-CA 3.5Å; D417-S420 WeakPolarHBondContact O-CB 3.45Å; D417-S420 PolarHBondContact O-N 2.92Å; L418-S420 VanDerWaalsContact C-N 3.28Å; L418-S420 PolarHBondContact O-N 3.26Å; S420-Q423 WeakPolarHBondContact O-CB 3.18Å; S420-Q423 PolarHBondContact O-N 2.84Å; S420-Q424 PolarHBondContact O-N 3.11Å
421E97.2Very high93.4Very high44 Ų4449.5 Ų49.521%0.20627%0.27CS..Hα-helixtrans-60.9-48.2173.3-70.1169.1-126.200111.4R262 L263 D417 L418 Q423 Q424 Y425R262-E421 WeakPolarHBondContact CB-OE2 3.4Å; R262-E421 WeakPolarHBondContact CD-OE2 3.3Å; R262-E421 IonicContact CZ-OE1 3.09Å; R262-E421 VanDerWaalsContact CZ-OE1 3.3Å; R262-E421 VanDerWaalsContact NE-CD 3.31Å; R262-E421 IonicContact NE-OE1 3.3Å; R262-E421 PolarHBondContact NE-OE1 3.19Å; R262-E421 IonicContact NE-OE2 3.6Å; R262-E421 PolarHBondContact NE-OE2 3.24Å; R262-E421 VanDerWaalsContact NE-OE2 3.12Å; R262-E421 IonicContact NH2-OE1 2.88Å; R262-E421 PolarHBondContact NH2-OE1 3Å; R262-E421 VanDerWaalsContact NH2-OE1 3.09Å; L263-E421 HydrophobicContact CD1-CB 4.17Å; D417-E421 WeakPolarHBondContact O-CG 3.49Å; D417-E421 PolarHBondContact O-N 2.88Å; L418-E421 PolarHBondContact O-N 2.76Å; E421-Q423 VanDerWaalsContact C-N 3.25Å; E421-Q423 PolarHBondContact O-N 3.14Å; E421-Q424 WeakPolarHBondContact O-CB 3.41Å; E421-Q424 PolarHBondContact O-N 3.49Å; E421-Y425 WeakPolarHBondContact O-CD2 3.44Å; E421-Y425 PolarHBondContact O-N 2.94Å
422Y97.6Very high91.8Very high0 Ų053.6 Ų53.60%029%0.292CS..Hα-helixtrans-58.1-38.9174.4-85.3-65.7000112.6L263 T372 M374 Q375 F378 L418 V419 Q426L263-Y422 WeakPolarHBondContact CA-OH 3.48Å; L263-Y422 HydrophobicContact CB-CE1 3.81Å; L263-Y422 HydrophobicContact CD2-CD1 3.55Å; L263-Y422 HydrophobicContact CD2-CE1 3.69Å; L263-Y422 HydrophobicContact CD2-CG 4.22Å; L263-Y422 HydrophobicContact CG-CD1 3.77Å; L263-Y422 HydrophobicContact CG-CD2 4.43Å; L263-Y422 HydrophobicContact CG-CE1 3.53Å; L263-Y422 HydrophobicContact CG-CE2 4.16Å; L263-Y422 HydrophobicContact CG-CG 4.25Å; T372-Y422 HydrophobicContact CG2-CD1 4.37Å; M374-Y422 HydrophobicContact CB-CE1 4.41Å; Q375-Y422 HydrophobicContact CB-CG 4.41Å; F378-Y422 HydrophobicContact CD2-CD2 4.47Å; F378-Y422 HydrophobicContact CD2-CE2 4.24Å; F378-Y422 HydrophobicContact CE2-CD2 4.34Å; F378-Y422 AromaticContact CE2-CE2 3.69Å; F378-Y422 HydrophobicContact CE2-CE2 3.69Å; L418-Y422 HydrophobicContact CD1-CD2 4.16Å; L418-Y422 HydrophobicContact CD1-CE2 3.76Å; L418-Y422 HydrophobicContact CD2-CE2 4.33Å; L418-Y422 HydrophobicContact CG-CD2 4.04Å; L418-Y422 HydrophobicContact CG-CE2 3.86Å; L418-Y422 VanDerWaalsContact O-CD2 3.27Å; L418-Y422 WeakPolarHBondContact O-CD2 3.49Å; L418-Y422 PolarHBondContact O-N 2.88Å; V419-Y422 PolarHBondContact O-N 2.71Å; Y422-Q426 WeakPolarHBondContact O-CB 3.43Å; Y422-Q426 PolarHBondContact O-N 3.47Å
423Q96.5Very high89.6Confident57 Ų5755.6 Ų55.627%0.26630%0.302SS..Hα-helixtrans-67-42.6177.4-173.361.854.500111.4Q375 V419 S420 E421 Y425 Q426 D427Q375-Q423 VanDerWaalsContact OE1-OE1 3.13Å; V419-Q423 PolarHBondContact O-N 3.09Å; S420-Q423 WeakPolarHBondContact O-CB 3.18Å; S420-Q423 PolarHBondContact O-N 2.84Å; E421-Q423 VanDerWaalsContact C-N 3.25Å; E421-Q423 PolarHBondContact O-N 3.14Å; Q423-Y425 PolarHBondContact O-N 3.09Å; Q423-Q426 WeakPolarHBondContact O-CB 3.45Å; Q423-Q426 PolarHBondContact O-N 3.3Å; Q423-D427 VanDerWaalsContact NE2-CG 3.26Å; Q423-D427 PolarHBondContact NE2-OD1 3.15Å; Q423-D427 VanDerWaalsContact NE2-OD1 3.15Å; Q423-D427 PolarHBondContact NE2-OD2 3.05Å; Q423-D427 PolarHBondContact O-N 2.97Å; Q423-D427 VanDerWaalsContact O-N 3.14Å
424Q95.9Very high87.2Confident121 Ų12159.9 Ų59.957%0.56532%0.32SS*.Hα-helixtrans-56.9-51.2175.9-179.7-178.8-6.800111.2S420 E421 Q426 D427 A428S420-Q424 PolarHBondContact O-N 3.11Å; E421-Q424 WeakPolarHBondContact O-CB 3.41Å; E421-Q424 PolarHBondContact O-N 3.49Å; Q424-Q426 VanDerWaalsContact C-N 3.27Å; Q424-Q426 PolarHBondContact O-N 2.57Å; Q424-D427 PolarHBondContact O-N 3.17Å; Q424-A428 PolarHBondContact O-N 3.33Å
425Y94.4Very high84.6Confident46 Ų4665.7 Ų65.718%0.1835%0.351CS..Hα-helixtrans-71.3-20.6179.6-67.5-65.1000113.9F260 L263 W344 E421 Q423F260-Y425 HydrophobicContact CB-CE2 4.49Å; F260-Y425 AromaticContact CD1-CE1 3.87Å; F260-Y425 HydrophobicContact CD1-CE1 3.87Å; F260-Y425 HydrophobicContact CD1-CE2 4.07Å; F260-Y425 AromaticContact CD1-CZ 3.45Å; F260-Y425 VanDerWaalsContact CD1-CZ 3.45Å; F260-Y425 WeakPolarHBondContact CD1-OH 3.45Å; F260-Y425 HydrophobicContact CD2-CD1 4.31Å; F260-Y425 HydrophobicContact CD2-CD2 4.26Å; F260-Y425 HydrophobicContact CD2-CE1 4.16Å; F260-Y425 HydrophobicContact CD2-CE2 4.09Å; F260-Y425 HydrophobicContact CD2-CG 4.37Å; F260-Y425 HydrophobicContact CE1-CD1 4.23Å; F260-Y425 AromaticContact CE1-CE1 3.35Å; F260-Y425 HydrophobicContact CE1-CE1 3.35Å; F260-Y425 HydrophobicContact CE1-CE2 4.39Å; F260-Y425 AromaticContact CE1-CZ 3.44Å; F260-Y425 VanDerWaalsContact CE1-CZ 3.44Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.47Å; F260-Y425 AromaticContact CE2-CD1 3.79Å; F260-Y425 HydrophobicContact CE2-CD1 3.79Å; F260-Y425 AromaticContact CE2-CE1 3.74Å; F260-Y425 HydrophobicContact CE2-CE1 3.74Å; F260-Y425 HydrophobicContact CE2-CE2 4.47Å; F260-Y425 HydrophobicContact CE2-CG 4.21Å; F260-Y425 HydrophobicContact CG-CE1 4.24Å; F260-Y425 AromaticContact CG-CE2 3.9Å; F260-Y425 HydrophobicContact CG-CE2 3.9Å; F260-Y425 AromaticContact CG-CZ 3.75Å; F260-Y425 AromaticContact CZ-CD1 3.71Å; F260-Y425 HydrophobicContact CZ-CD1 3.71Å; F260-Y425 AromaticContact CZ-CE1 3.28Å; F260-Y425 HydrophobicContact CZ-CE1 3.28Å; F260-Y425 AromaticContact CZ-CZ 3.78Å; L263-Y425 HydrophobicContact CD1-CD2 4.43Å; L263-Y425 HydrophobicContact CD1-CE2 4.32Å; L263-Y425 HydrophobicContact CD2-CD2 3.55Å; L263-Y425 HydrophobicContact CD2-CE2 4.17Å; L263-Y425 HydrophobicContact CD2-CG 4.32Å; W344-Y425 HydrophobicContact CH2-CD1 4.08Å; W344-Y425 HydrophobicContact CZ2-CD1 4.3Å; E421-Y425 WeakPolarHBondContact O-CD2 3.44Å; E421-Y425 PolarHBondContact O-N 2.94Å; Q423-Y425 PolarHBondContact O-N 3.09Å
426Q94.1Very high81.9Confident39 Ų3969.8 Ų69.818%0.18238%0.38CS..Hα-helixtrans-70.3-38172.4-173.9177.3-74.100112.1H307 G308 R309 T372 Y422 Q423 Q424H307-Q426 PolarHBondContact O-OE1 3.11Å; G308-Q426 VanDerWaalsContact CA-OE1 3.29Å; R309-Q426 HydrophobicContact CG-CG 4.24Å; T372-Q426 HydrophobicContact CG2-CB 3.91Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.44Å; T372-Q426 PolarHBondContact OG1-OE1 3.18Å; Y422-Q426 WeakPolarHBondContact O-CB 3.43Å; Y422-Q426 PolarHBondContact O-N 3.47Å; Q423-Q426 WeakPolarHBondContact O-CB 3.45Å; Q423-Q426 PolarHBondContact O-N 3.3Å; Q424-Q426 VanDerWaalsContact C-N 3.27Å; Q424-Q426 PolarHBondContact O-N 2.57Å
427D92Very high79.7Confident100 Ų10074.4 Ų74.454%0.53541%0.405SS..Hα-helixtrans-91-13.7-176.2-61.8-23.7000112.3Q423 Q424Q423-D427 VanDerWaalsContact NE2-CG 3.26Å; Q423-D427 PolarHBondContact NE2-OD1 3.15Å; Q423-D427 VanDerWaalsContact NE2-OD1 3.15Å; Q423-D427 PolarHBondContact NE2-OD2 3.05Å; Q423-D427 PolarHBondContact O-N 2.97Å; Q423-D427 VanDerWaalsContact O-N 3.14Å; Q424-D427 PolarHBondContact O-N 3.17Å
428A88.3Confident77.2Confident26 Ų2672.5 Ų72.522%0.21539%0.394CS..  trans-58.9135.2176.400000112.5W344 Q424W344-A428 PolarHBondContact NE1-O 3.12Å; Q424-A428 PolarHBondContact O-N 3.33Å
429T80.8Confident74.3Confident57 Ų5782 Ų8235%0.3544%0.438SS..  trans-117.3165.3178.463.80000110.7D431 D432T429-D431 PolarHBondContact O-N 3.16Å; T429-D432 PolarHBondContact N-OD2 2.69Å; T429-D432 WeakPolarHBondContact O-CB 3.19Å; T429-D432 PolarHBondContact O-N 2.82Å; T429-D432 PolarHBondContact OG1-OD2 2.95Å
430V75.7Confident71.5Confident64 Ų6484.6 Ų84.639%0.38847%0.467SS..G310 helixtrans-57.8-30.2177-179.20000112.2E343 W344 D432 E433E343-V430 HydrophobicContact CB-CG2 4.33Å; E343-V430 HydrophobicContact CG-CG2 3.67Å; W344-V430 HydrophobicContact CB-CG2 4.42Å; V430-D432 PolarHBondContact O-N 2.96Å; V430-E433 PolarHBondContact O-N 3.32Å
431D71.5Confident69.1Low141 Ų14184.3 Ų84.375%0.75446%0.46SS*.G310 helixtrans-70.9-19.7-179.8-68.6-33.2000113T429 E433T429-D431 PolarHBondContact O-N 3.16Å; D431-E433 VanDerWaalsContact C-N 3.31Å; D431-E433 PolarHBondContact O-N 3.37Å
432D64Low66.2Low88 Ų8891.6 Ų91.647%0.47149%0.494SS..G310 helixtrans-78.1-12.3179.4-60-51.5000112.7T429 V430 N434 D435T429-D432 PolarHBondContact N-OD2 2.69Å; T429-D432 WeakPolarHBondContact O-CB 3.19Å; T429-D432 PolarHBondContact O-N 2.82Å; T429-D432 PolarHBondContact OG1-OD2 2.95Å; V430-D432 PolarHBondContact O-N 2.96Å; D432-N434 VanDerWaalsContact C-N 3.26Å; D432-N434 PolarHBondContact O-N 3.31Å; D432-D435 PolarHBondContact O-N 2.72Å
433E50.3Low63Low80 Ų80100.7 Ų100.737%0.37454%0.536SS..G310 helixtrans-65.7-21.8-178.5-74-174.916100114.2W344 V430 D431 D435 I438W344-E433 WeakPolarHBondContact CB-OE1 3.16Å; V430-E433 PolarHBondContact O-N 3.32Å; D431-E433 VanDerWaalsContact C-N 3.31Å; D431-E433 PolarHBondContact O-N 3.37Å; E433-D435 VanDerWaalsContact C-N 3.31Å; E433-D435 PolarHBondContact O-N 2.9Å; E433-I438 HydrophobicContact CG-CD1 4.41Å
434N48Very low60.1Low148 Ų148105 Ų10579%0.79158%0.582SS**G310 helixtrans-76.1-16.5-176.7-76.6-44.7000114.1D432D432-N434 VanDerWaalsContact C-N 3.26Å; D432-N434 PolarHBondContact O-N 3.31Å
435D44.2Very low58.3Low138 Ų138104.3 Ų104.374%0.73858%0.583SS**SBendtrans-130.2107.5-178.4-83.8-37.6000109.5D432 E433D432-D435 PolarHBondContact O-N 2.72Å; E433-D435 VanDerWaalsContact C-N 3.31Å; E433-D435 PolarHBondContact O-N 2.9Å
436S40.9Very low56.4Low87 Ų87107.3 Ų107.361%0.60860%0.604SS**SBendtrans88.5109.9168.771.60000119I438S436-I438 PolarHBondContact O-N 3.3Å
437D50.3Low54.3Low165 Ų165111.1 Ų111.188%0.88263%0.627SS**SBendtrans7211.7151.6-56.5-21.3000120.9
438I46.5Very low52.1Low39 Ų39111.8 Ų111.820%0.263%0.633CS.*  trans-103.76.7178.8-48.5-177.6000114.2E433 S436 G440 I441E433-I438 HydrophobicContact CG-CD1 4.41Å; S436-I438 PolarHBondContact O-N 3.3Å; I438-G440 PolarHBondContact O-N 3.39Å; I438-I441 HydrophobicContact CG2-CD1 3.73Å; I438-I441 HydrophobicContact CG2-CG1 4.13Å; I438-I441 PolarHBondContact O-N 3.26Å
439E36Very low49.9Very low200 Ų200117.1 Ų117.194%0.93566%0.659SS**THydrogen-bonded Turntrans-64.3-3.8174.6-74.6-169.5166.800114.5
440G39.3Very low47.8Very low66 Ų66121.1 Ų121.168%0.6868%0.679SS**THydrogen-bonded Turntrans-85.9-9179.400000116.5I438I438-G440 PolarHBondContact O-N 3.39Å
441I46.7Very low45.8Very low65 Ų65125.2 Ų125.233%0.33370%0.7SS.*SBendtrans-91.3-21.7-171-60.3-174.8000113.1F260 I438 E443F260-I441 HydrophobicContact CE1-CD1 4.49Å; F260-I441 HydrophobicContact CZ-CD1 4.19Å; I438-I441 HydrophobicContact CG2-CD1 3.73Å; I438-I441 HydrophobicContact CG2-CG1 4.13Å; I438-I441 PolarHBondContact O-N 3.26Å; I441-E443 PolarHBondContact O-N 2.93Å
442E37.3Very low43.8Very low196 Ų196124 Ų12492%0.91670%0.696SS**THydrogen-bonded Turntrans-80.5-11.8-175-70.7-160.514700115.5
443E30.6Very low42.2Very low192 Ų192127 Ų12790%0.89772%0.715SS**THydrogen-bonded Turntrans-113.716.4-173.2-70.9-16015600117I441I441-E443 PolarHBondContact O-N 2.93Å
444A35.9Very low41.4Very low148 Ų148131.3 Ų131.3100%1.22375%0.746SS**  trans-103.30179.800000115.6

Retrieved 444 of 444 residues in 231.4 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).