C4QIC0_SCHMA Loading...

Tubulin beta chain

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 C4QIC0, 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   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
1M65.7Low93.5Very high126 Ų12633.4 Ų33.462%0.62115%0.15SC*.  0-160.10-107.9169.4-75.100105.1E3 N48 C129M1-E3 VanDerWaalsContact CA-OE1 3.32Å; M1-E3 WeakPolarHBondContact CA-OE1 3.35Å; M1-E3 PolarHBondContact N-OE1 3.32Å; M1-E3 VanDerWaalsContact O-CD 3.28Å; M1-E3 VanDerWaalsContact O-OE1 3.1Å; M1-N48 WeakPolarHBondContact CB-ND2 3.47Å; M1-N48 WeakPolarHBondContact CE-OD1 3.26Å; M1-N48 PolarHBondContact SD-OD1 3.48Å; M1-C129 WeakPolarHBondContact O-CB 3.4Å; M1-C129 PolarHBondContact O-N 3.43Å
2R86.9Confident93.5Very high123 Ų12333.3 Ų33.346%0.46416%0.156SC..  trans-104.294.8-175-77.4-169.3174.9164.4-15.3110.2C129 Q131 D249R2-C129 CarbonylContact C-O 3.46Å; R2-C129 VanDerWaalsContact CA-O 3.32Å; R2-C129 WeakPolarHBondContact CA-O 3.47Å; R2-Q131 VanDerWaalsContact C-NE2 3.33Å; R2-Q131 VanDerWaalsContact CB-CD 3.45Å; R2-Q131 HydrophobicContact CB-CG 3.44Å; R2-Q131 VanDerWaalsContact CB-CG 3.44Å; R2-Q131 HydrophobicContact CG-CG 4.11Å; R2-Q131 PolarHBondContact O-NE2 3.42Å; R2-D249 IonicContact CZ-OD2 3.28Å; R2-D249 VanDerWaalsContact NH1-CB 3.31Å; R2-D249 IonicContact NH1-OD2 3.48Å; R2-D249 PolarHBondContact NH1-OD2 3.03Å; R2-D249 IonicContact NH2-OD2 3.51Å
3E95.8Very high93.8Very high0 Ų030.8 Ų30.80%014%0.144CC..EExtended strand (participates in β ladder)trans-93.7157.8-170.7-58.281.3-160.100114.6M1 N48 C127 D128 C129 Q131M1-E3 VanDerWaalsContact CA-OE1 3.32Å; M1-E3 WeakPolarHBondContact CA-OE1 3.35Å; M1-E3 PolarHBondContact N-OE1 3.32Å; M1-E3 VanDerWaalsContact O-CD 3.28Å; M1-E3 VanDerWaalsContact O-OE1 3.1Å; E3-N48 WeakPolarHBondContact CG-O 3.46Å; E3-N48 PolarHBondContact OE1-ND2 2.99Å; E3-C127 HydrophobicContact CB-CB 3.91Å; E3-C127 HydrophobicContact CG-CB 4.35Å; E3-D128 PolarHBondContact OE2-N 3.09Å; E3-C129 PolarHBondContact N-O 2.71Å; E3-C129 WeakPolarHBondContact OE2-CA 3.39Å; E3-C129 PolarHBondContact OE2-N 2.9Å; E3-C129 VanDerWaalsContact OE2-O 3.08Å; E3-Q131 PolarHBondContact O-N 2.77Å
4I97.1Very high94.1Very high0 Ų028.6 Ų28.60%013%0.134CC..EExtended strand (participates in β ladder)trans-128.5133.1179.8-62.2168.4000109.1V49 Y50 Q131 Q134 L240 L250I4-V49 HydrophobicContact CD1-CG1 3.94Å; I4-V49 HydrophobicContact CG1-CG1 4.23Å; I4-V49 PolarHBondContact N-O 2.56Å; I4-Y50 HydrophobicContact CB-CE1 4.17Å; I4-Y50 HydrophobicContact CD1-CE2 4.27Å; I4-Y50 HydrophobicContact CG2-CE1 3.93Å; I4-Q131 HydrophobicContact CG1-CB 4.46Å; I4-Q134 HydrophobicContact CG2-CB 3.94Å; I4-L240 HydrophobicContact CD1-CD1 3.62Å; I4-L250 HydrophobicContact CD1-CD1 3.81Å; I4-L250 HydrophobicContact CD1-CD2 4.49Å; I4-L250 HydrophobicContact CD1-CG 4.06Å; I4-L250 HydrophobicContact CG1-CD1 4Å
5V98.3Very high94.2Very high0 Ų031.7 Ų31.70%015%0.148CC..EExtended strand (participates in β ladder)trans-96.2121170.2176.30000108.5I7 I64 E123 L130 G132 F133 Q134V5-I7 HydrophobicContact CG1-CG1 4.35Å; V5-I64 HydrophobicContact CG1-CD1 3.77Å; V5-I64 HydrophobicContact CG1-CG1 4.3Å; V5-E123 HydrophobicContact CG1-CB 4.03Å; V5-E123 HydrophobicContact CG2-CB 3.94Å; V5-L130 HydrophobicContact CG2-CD1 3.91Å; V5-G132 PolarHBondContact N-O 2.9Å; V5-F133 HydrophobicContact CB-CD1 3.79Å; V5-F133 HydrophobicContact CB-CE1 4.04Å; V5-F133 HydrophobicContact CG1-CD1 4.14Å; V5-F133 HydrophobicContact CG1-CE1 4.37Å; V5-F133 HydrophobicContact CG2-CE1 4.39Å; V5-F133 WeakPolarHBondContact O-CA 3.32Å; V5-Q134 PolarHBondContact O-N 3.12Å
6H98.4Very high94.3Very high0 Ų029.8 Ų29.80%014%0.139CC..EExtended strand (participates in β ladder)trans-97.9128.7180-178-146.3000110.3Q8 F20 W21 Y50 R62 A63 I64 Q134 T136H6-Q8 PolarHBondContact CE1-NE2 3.3Å; H6-Q8 VanDerWaalsContact CE1-NE2 3.26Å; H6-Q8 PolarHBondContact ND1-NE2 3.29Å; H6-F20 AromaticContact CE1-CD1 3.63Å; H6-F20 AromaticContact ND1-CD1 3.93Å; H6-W21 HydrophobicContact CB-CZ2 3.91Å; H6-W21 AromaticContact CE1-NE1 3.91Å; H6-W21 AromaticContact ND1-CE2 3.59Å; H6-W21 AromaticContact ND1-CZ2 3.67Å; H6-W21 AromaticContact ND1-NE1 3.21Å; H6-W21 PolarHBondContact ND1-NE1 3.29Å; H6-Y50 HydrophobicContact CB-CD1 4.48Å; H6-Y50 HydrophobicContact CB-CE1 4.28Å; H6-R62 PolarHBondContact N-O 2.84Å; H6-A63 CarbonylContact O-C 3.51Å; H6-A63 VanDerWaalsContact O-CA 3.24Å; H6-A63 WeakPolarHBondContact O-CA 2.85Å; H6-I64 PolarHBondContact O-N 2.87Å; H6-Q134 CarbonylContact C-O 3.55Å; H6-Q134 WeakPolarHBondContact CA-O 3.39Å; H6-Q134 PolarHBondContact CD2-O 2.94Å; H6-Q134 VanDerWaalsContact CD2-O 3.25Å; H6-T136 PolarHBondContact NE2-OG1 2.89Å
7I98.7Very high94.5Very high1 Ų128.1 Ų28.11%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-118.6135.6-178.2-52.1173.1000108.1V5 I64 V66 V120 F133 Q134 L135 T136 I155V5-I7 HydrophobicContact CG1-CG1 4.35Å; I7-I64 CarbonylContact C-O 3.55Å; I7-I64 WeakPolarHBondContact CA-O 3.26Å; I7-I64 HydrophobicContact CG1-CB 4.42Å; I7-I64 HydrophobicContact CG1-CD1 4.4Å; I7-V66 HydrophobicContact CG2-CG2 4.36Å; I7-V120 HydrophobicContact CD1-CG2 4.01Å; I7-F133 HydrophobicContact CD1-CD1 4.23Å; I7-Q134 PolarHBondContact N-O 2.85Å; I7-L135 HydrophobicContact CB-CD1 3.66Å; I7-L135 HydrophobicContact CG2-CD1 3.5Å; I7-L135 CarbonylContact O-C 3.55Å; I7-L135 WeakPolarHBondContact O-CA 3.48Å; I7-T136 PolarHBondContact O-N 2.96Å; I7-I155 HydrophobicContact CD1-CD1 3.33Å
8Q98.3Very high94.6Very high0 Ų028.1 Ų28.10%014%0.137CC..EExtended strand (participates in β ladder)trans-122.4117.5-179.6-64.3167.86.400108.5H6 G17 I64 V66H6-Q8 PolarHBondContact CE1-NE2 3.3Å; H6-Q8 VanDerWaalsContact CE1-NE2 3.26Å; H6-Q8 PolarHBondContact ND1-NE2 3.29Å; Q8-G17 VanDerWaalsContact CD-CA 3.48Å; Q8-G17 VanDerWaalsContact NE2-C 3.32Å; Q8-I64 PolarHBondContact N-O 3.47Å; Q8-V66 PolarHBondContact O-N 3.07Å
9A98Very high94.7Very high0 Ų029.4 Ų29.40%014%0.142CC..EExtended strand (participates in β ladder)trans-116.1125.1-175.400000112.2V66 L135 T136 H137A9-V66 WeakPolarHBondContact CA-O 3.31Å; A9-L135 HydrophobicContact CB-CD1 4.07Å; A9-T136 PolarHBondContact N-O 2.87Å; A9-H137 HydrophobicContact CB-CB 4.2Å
10G96.5Very high94.8Very high2 Ų228 Ų282%0.02114%0.135CC..Hα-helixtrans73.2175.8177.100000114.1C12 G13 N14 V66G10-C12 PolarHBondContact O-N 3.06Å; G10-G13 PolarHBondContact O-N 3.02Å; G10-N14 WeakPolarHBondContact O-CB 3.39Å; G10-N14 PolarHBondContact O-N 2.95Å; G10-N14 PolarHBondContact O-ND2 3.31Å; G10-V66 PolarHBondContact N-O 3.47Å
11Q94.6Very high94.9Very high115 Ų11526.6 Ų26.654%0.53713%0.128SC..Hα-helixtrans-52.5-50-176.3-174.1-176.8-3500113.3Q15 D67Q11-Q15 WeakPolarHBondContact O-CB 3.29Å; Q11-Q15 VanDerWaalsContact O-CG 3.25Å; Q11-Q15 WeakPolarHBondContact O-CG 3.48Å; Q11-Q15 PolarHBondContact O-N 3.34Å; Q11-D67 PolarHBondContact N-OD2 2.83Å
12C94.3Very high96.3Very high33 Ų3324 Ų2422%0.22312%0.115CC..Hα-helixtrans-62.7-48.2-179.8178.80000111.8G10 N14 Q15 I16G10-C12 PolarHBondContact O-N 3.06Å; C12-N14 PolarHBondContact O-N 3.34Å; C12-Q15 PolarHBondContact O-N 3.24Å; C12-I16 WeakPolarHBondContact O-CG1 3.45Å; C12-I16 PolarHBondContact O-N 3.41Å; C12-I16 VanDerWaalsContact SG-CD1 3.59Å
13G97Very high96.7Very high0 Ų019.2 Ų19.20%010%0.099CC..Hα-helixtrans-60.1-43.5-179.700000112.9G10 G17 T136G10-G13 PolarHBondContact O-N 3.02Å; G13-G17 WeakPolarHBondContact O-CA 3.26Å; G13-G17 PolarHBondContact O-N 2.95Å; G13-T136 VanDerWaalsContact CA-O 3.26Å; G13-T136 WeakPolarHBondContact CA-O 3.39Å
14N97.3Very high96.6Very high0 Ų019.2 Ų19.20%010%0.099CC..Hα-helixtrans-70.5-36.4178.2-74.2-72.6000113G10 C12 A18 L65 V66 T72 M73 V76G10-N14 WeakPolarHBondContact O-CB 3.39Å; G10-N14 PolarHBondContact O-N 2.95Å; G10-N14 PolarHBondContact O-ND2 3.31Å; C12-N14 PolarHBondContact O-N 3.34Å; N14-A18 VanDerWaalsContact O-CB 3.24Å; N14-A18 WeakPolarHBondContact O-CB 3.36Å; N14-A18 PolarHBondContact O-N 3.03Å; N14-L65 WeakPolarHBondContact OD1-CB 3.43Å; N14-V66 PolarHBondContact ND2-O 3.5Å; N14-T72 HydrophobicContact CB-CG2 3.51Å; N14-M73 HydrophobicContact CB-CE 4.2Å; N14-M73 WeakPolarHBondContact ND2-CE 3.47Å; N14-M73 WeakPolarHBondContact OD1-CE 2.94Å; N14-V76 HydrophobicContact CB-CG2 4.23Å
15Q95.8Very high96.6Very high75 Ų7519.2 Ų19.235%0.3510%0.099SC..Hα-helixtrans-69-43.5177.1-73.2-178.213.200112.4Q11 C12 K19Q11-Q15 WeakPolarHBondContact O-CB 3.29Å; Q11-Q15 VanDerWaalsContact O-CG 3.25Å; Q11-Q15 WeakPolarHBondContact O-CG 3.48Å; Q11-Q15 PolarHBondContact O-N 3.34Å; C12-Q15 PolarHBondContact O-N 3.24Å; Q15-K19 PolarHBondContact O-N 2.9Å
16I97Very high96.3Very high2 Ų221.8 Ų21.81%0.0111%0.113CC..Hα-helixtrans-64.4-46.6173.7-68.9168.9000109.5C12 A18 K19 F20 T136 V169 N226 V229 M233C12-I16 WeakPolarHBondContact O-CG1 3.45Å; C12-I16 PolarHBondContact O-N 3.41Å; C12-I16 VanDerWaalsContact SG-CD1 3.59Å; I16-A18 PolarHBondContact O-N 3.3Å; I16-K19 PolarHBondContact O-N 3.2Å; I16-K19 VanDerWaalsContact O-N 3.14Å; I16-F20 WeakPolarHBondContact O-CB 3.46Å; I16-F20 PolarHBondContact O-N 3.05Å; I16-T136 HydrophobicContact CB-CG2 3.91Å; I16-T136 HydrophobicContact CD1-CG2 4.43Å; I16-T136 HydrophobicContact CG2-CG2 3.66Å; I16-V169 HydrophobicContact CD1-CG2 3.52Å; I16-N226 HydrophobicContact CG1-CB 4.2Å; I16-N226 VanDerWaalsContact CG1-OD1 3.29Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.48Å; I16-V229 HydrophobicContact CD1-CG1 4.23Å; I16-V229 HydrophobicContact CG1-CG1 4.49Å; I16-V229 HydrophobicContact CG2-CB 4.25Å; I16-V229 HydrophobicContact CG2-CG1 3.55Å; I16-M233 HydrophobicContact CG2-CE 4.46Å; I16-M233 HydrophobicContact CG2-SD 3.43Å; I16-M233 WeakPolarHBondContact CG2-SD 3.49Å
17G96.9Very high96Very high0 Ų022.3 Ų22.30%012%0.115CC..Hα-helixtrans-60.2-44.6-179.400000113.6Q8 G13 K19 F20 W21Q8-G17 VanDerWaalsContact CD-CA 3.48Å; Q8-G17 VanDerWaalsContact NE2-C 3.32Å; G13-G17 WeakPolarHBondContact O-CA 3.26Å; G13-G17 PolarHBondContact O-N 2.95Å; G17-K19 VanDerWaalsContact C-N 3.29Å; G17-K19 PolarHBondContact O-N 3.06Å; G17-F20 WeakPolarHBondContact O-CB 3.09Å; G17-F20 PolarHBondContact O-N 3.31Å; G17-W21 PolarHBondContact O-N 3.15Å
18A96.2Very high95.7Very high28 Ų2822.3 Ų22.323%0.23112%0.115CC..Hα-helixtrans-58.9-42174.100000111.5N14 I16 W21 E22 V76N14-A18 VanDerWaalsContact O-CB 3.24Å; N14-A18 WeakPolarHBondContact O-CB 3.36Å; N14-A18 PolarHBondContact O-N 3.03Å; I16-A18 PolarHBondContact O-N 3.3Å; A18-W21 PolarHBondContact O-N 3.1Å; A18-E22 PolarHBondContact O-N 3.09Å; A18-E22 VanDerWaalsContact O-N 3.11Å; A18-V76 HydrophobicContact CB-CG1 4.45Å; A18-V76 HydrophobicContact CB-CG2 4.43Å
19K95.9Very high95.5Very high54 Ų5422.9 Ų22.924%0.23512%0.122CC..Hα-helixtrans-69.2-37.9176.8-170.559.9-178.1177.90112.4Q15 I16 G17 E22 V23 S230Q15-K19 PolarHBondContact O-N 2.9Å; I16-K19 PolarHBondContact O-N 3.2Å; I16-K19 VanDerWaalsContact O-N 3.14Å; G17-K19 VanDerWaalsContact C-N 3.29Å; G17-K19 PolarHBondContact O-N 3.06Å; K19-E22 VanDerWaalsContact CD-OE2 3.26Å; K19-E22 WeakPolarHBondContact CD-OE2 3.42Å; K19-E22 IonicContact NZ-OE1 3.66Å; K19-E22 PolarHBondContact NZ-OE1 3.46Å; K19-E22 IonicContact NZ-OE2 3.35Å; K19-E22 PolarHBondContact NZ-OE2 3Å; K19-E22 WeakPolarHBondContact O-CB 3.29Å; K19-E22 PolarHBondContact O-N 3.43Å; K19-V23 WeakPolarHBondContact O-CG2 3.31Å; K19-V23 PolarHBondContact O-N 3.4Å; K19-S230 WeakPolarHBondContact CG-OG 3.34Å
20F97Very high95.4Very high0 Ų023.1 Ų23.10%012%0.123CC..Hα-helixtrans-59.4-47.7174170.7-107.3000111.6H6 I16 G17 E22 V23 I24 Y50 M233H6-F20 AromaticContact CE1-CD1 3.63Å; H6-F20 AromaticContact ND1-CD1 3.93Å; I16-F20 WeakPolarHBondContact O-CB 3.46Å; I16-F20 PolarHBondContact O-N 3.05Å; G17-F20 WeakPolarHBondContact O-CB 3.09Å; G17-F20 PolarHBondContact O-N 3.31Å; F20-E22 VanDerWaalsContact C-N 3.34Å; F20-E22 PolarHBondContact O-N 2.7Å; F20-V23 PolarHBondContact O-N 3.05Å; F20-V23 VanDerWaalsContact O-N 3.11Å; F20-I24 HydrophobicContact CD1-CD1 4.33Å; F20-I24 HydrophobicContact CD2-CG2 3.99Å; F20-I24 HydrophobicContact CE1-CD1 3.65Å; F20-I24 HydrophobicContact CE1-CG1 4.27Å; F20-I24 HydrophobicContact CE1-CG2 4.48Å; F20-I24 HydrophobicContact CE2-CG2 3.49Å; F20-I24 VanDerWaalsContact CE2-CG2 3.49Å; F20-I24 HydrophobicContact CZ-CD1 3.8Å; F20-I24 HydrophobicContact CZ-CG1 4.35Å; F20-I24 HydrophobicContact CZ-CG2 3.78Å; F20-I24 WeakPolarHBondContact O-CG1 3.3Å; F20-I24 PolarHBondContact O-N 2.92Å; F20-Y50 HydrophobicContact CE1-CE1 4.34Å; F20-Y50 HydrophobicContact CZ-CE1 4.44Å; F20-M233 HydrophobicContact CB-CE 3.96Å; F20-M233 HydrophobicContact CB-SD 4.23Å; F20-M233 HydrophobicContact CD1-CE 4.08Å; F20-M233 HydrophobicContact CD2-CB 3.57Å; F20-M233 HydrophobicContact CD2-CE 3.94Å; F20-M233 HydrophobicContact CD2-SD 4.38Å; F20-M233 HydrophobicContact CE2-CB 3.79Å; F20-M233 HydrophobicContact CE2-CE 4.44Å; F20-M233 HydrophobicContact CG-CB 4.45Å; F20-M233 HydrophobicContact CG-CE 3.72Å; F20-M233 HydrophobicContact CG-SD 4.4Å
21W97.2Very high95.3Very high0 Ų024.9 Ų24.90%013%0.132CC..Hα-helixtrans-64.6-35.6177.6-74.6111.6000113.2H6 G17 A18 I24 S25 Y50 Y51 P61 A63 F85H6-W21 HydrophobicContact CB-CZ2 3.91Å; H6-W21 AromaticContact CE1-NE1 3.91Å; H6-W21 AromaticContact ND1-CE2 3.59Å; H6-W21 AromaticContact ND1-CZ2 3.67Å; H6-W21 AromaticContact ND1-NE1 3.21Å; H6-W21 PolarHBondContact ND1-NE1 3.29Å; G17-W21 PolarHBondContact O-N 3.15Å; A18-W21 PolarHBondContact O-N 3.1Å; W21-I24 HydrophobicContact CD2-CD1 4.25Å; W21-I24 HydrophobicContact CE3-CD1 3.49Å; W21-I24 VanDerWaalsContact CE3-CD1 3.49Å; W21-I24 HydrophobicContact CE3-CG1 3.92Å; W21-I24 HydrophobicContact CH2-CD1 4.25Å; W21-I24 HydrophobicContact CZ3-CD1 3.5Å; W21-I24 HydrophobicContact CZ3-CG1 4.38Å; W21-S25 WeakPolarHBondContact O-CB 3.35Å; W21-S25 PolarHBondContact O-N 3.35Å; W21-S25 PolarHBondContact O-OG 3.26Å; W21-Y50 AromaticContact CH2-CD1 3.81Å; W21-Y50 HydrophobicContact CH2-CD1 3.81Å; W21-Y50 HydrophobicContact CH2-CG 4.2Å; W21-Y50 WeakPolarHBondContact CH2-O 3.43Å; W21-Y50 HydrophobicContact CZ2-CD1 4.33Å; W21-Y51 HydrophobicContact CE3-CE1 4.32Å; W21-Y51 HydrophobicContact CE3-CE2 4.5Å; W21-Y51 AromaticContact CE3-CZ 3.92Å; W21-Y51 HydrophobicContact CZ3-CD2 4.49Å; W21-Y51 HydrophobicContact CZ3-CE1 4.09Å; W21-Y51 AromaticContact CZ3-CE2 3.95Å; W21-Y51 HydrophobicContact CZ3-CE2 3.95Å; W21-Y51 AromaticContact CZ3-CZ 3.73Å; W21-P61 HydrophobicContact CD2-CB 3.99Å; W21-P61 HydrophobicContact CD2-CG 4.15Å; W21-P61 HydrophobicContact CE3-CB 3.75Å; W21-P61 HydrophobicContact CE3-CG 3.74Å; W21-P61 HydrophobicContact CH2-CB 3.54Å; W21-P61 HydrophobicContact CH2-CG 4.39Å; W21-P61 HydrophobicContact CZ2-CB 3.76Å; W21-P61 HydrophobicContact CZ3-CB 3.52Å; W21-P61 HydrophobicContact CZ3-CG 3.87Å; W21-A63 HydrophobicContact CZ2-CB 3.57Å; W21-F85 HydrophobicContact CB-CE1 4.23Å; W21-F85 HydrophobicContact CB-CZ 3.8Å; W21-F85 AromaticContact CD1-CE1 3.35Å; W21-F85 AromaticContact CD1-CZ 3.43Å; W21-F85 VanDerWaalsContact CD1-CZ 3.43Å; W21-F85 HydrophobicContact CD2-CE1 4.06Å; W21-F85 AromaticContact CG-CE1 3.65Å; W21-F85 HydrophobicContact CG-CE1 3.65Å; W21-F85 AromaticContact CG-CZ 3.66Å; W21-F85 HydrophobicContact CG-CZ 3.66Å; W21-F85 AromaticContact NE1-CE1 3.61Å
22E95.4Very high95.4Very high71 Ų7121.8 Ų21.833%0.33212%0.121SC..Hα-helixtrans-57.5-50.5169.1176-173.4159.100110.6A18 K19 F20 D26 F81A18-E22 PolarHBondContact O-N 3.09Å; A18-E22 VanDerWaalsContact O-N 3.11Å; K19-E22 VanDerWaalsContact CD-OE2 3.26Å; K19-E22 WeakPolarHBondContact CD-OE2 3.42Å; K19-E22 IonicContact NZ-OE1 3.66Å; K19-E22 PolarHBondContact NZ-OE1 3.46Å; K19-E22 IonicContact NZ-OE2 3.35Å; K19-E22 PolarHBondContact NZ-OE2 3Å; K19-E22 WeakPolarHBondContact O-CB 3.29Å; K19-E22 PolarHBondContact O-N 3.43Å; F20-E22 VanDerWaalsContact C-N 3.34Å; F20-E22 PolarHBondContact O-N 2.7Å; E22-D26 WeakPolarHBondContact O-CB 3.33Å; E22-D26 PolarHBondContact O-N 3.4Å; E22-F81 HydrophobicContact CB-CD2 3.97Å; E22-F81 HydrophobicContact CB-CE2 3.99Å; E22-F81 HydrophobicContact CG-CD2 4.04Å; E22-F81 HydrophobicContact CG-CE2 3.62Å; E22-F81 HydrophobicContact CG-CZ 4.28Å
23V94.5Very high95.4Very high23 Ų2323.7 Ų23.714%0.13913%0.132CC..Hα-helixtrans-63.1-48.2-177.5171.40000111.9K19 F20 D26 E27K19-V23 WeakPolarHBondContact O-CG2 3.31Å; K19-V23 PolarHBondContact O-N 3.4Å; F20-V23 PolarHBondContact O-N 3.05Å; F20-V23 VanDerWaalsContact O-N 3.11Å; V23-D26 PolarHBondContact O-N 3.49Å; V23-E27 WeakPolarHBondContact O-CG 3.37Å; V23-E27 PolarHBondContact O-N 3.2Å; V23-E27 VanDerWaalsContact O-N 3.1Å
24I94.9Very high95.3Very high0 Ų023.8 Ų23.80%013%0.133CC..Hα-helixtrans-75.6-31.5-177.664.7161000112.7F20 W21 D26 E27 H28 Y50 Y51F20-I24 HydrophobicContact CD1-CD1 4.33Å; F20-I24 HydrophobicContact CD2-CG2 3.99Å; F20-I24 HydrophobicContact CE1-CD1 3.65Å; F20-I24 HydrophobicContact CE1-CG1 4.27Å; F20-I24 HydrophobicContact CE1-CG2 4.48Å; F20-I24 HydrophobicContact CE2-CG2 3.49Å; F20-I24 VanDerWaalsContact CE2-CG2 3.49Å; F20-I24 HydrophobicContact CZ-CD1 3.8Å; F20-I24 HydrophobicContact CZ-CG1 4.35Å; F20-I24 HydrophobicContact CZ-CG2 3.78Å; F20-I24 WeakPolarHBondContact O-CG1 3.3Å; F20-I24 PolarHBondContact O-N 2.92Å; W21-I24 HydrophobicContact CD2-CD1 4.25Å; W21-I24 HydrophobicContact CE3-CD1 3.49Å; W21-I24 VanDerWaalsContact CE3-CD1 3.49Å; W21-I24 HydrophobicContact CE3-CG1 3.92Å; W21-I24 HydrophobicContact CH2-CD1 4.25Å; W21-I24 HydrophobicContact CZ3-CD1 3.5Å; W21-I24 HydrophobicContact CZ3-CG1 4.38Å; I24-D26 VanDerWaalsContact C-N 3.28Å; I24-D26 PolarHBondContact O-N 3.4Å; I24-E27 PolarHBondContact O-N 3.43Å; I24-H28 PolarHBondContact O-CD2 3.49Å; I24-H28 PolarHBondContact O-N 2.9Å; I24-Y50 HydrophobicContact CD1-CG 4.25Å; I24-Y51 HydrophobicContact CD1-CE2 4.24Å
25S95.5Very high95.3Very high0 Ų026 Ų260%015%0.147CC..Hα-helixtrans-61.3-44.5172.9-58.90000109.8W21 E27 H28 G29 I30 Y51 L84W21-S25 WeakPolarHBondContact O-CB 3.35Å; W21-S25 PolarHBondContact O-N 3.35Å; W21-S25 PolarHBondContact O-OG 3.26Å; S25-E27 VanDerWaalsContact C-N 3.32Å; S25-E27 PolarHBondContact O-N 2.89Å; S25-H28 CarbonylContact O-C 3.53Å; S25-H28 PolarHBondContact O-N 3.13Å; S25-H28 VanDerWaalsContact O-N 3.17Å; S25-G29 PolarHBondContact O-N 3.5Å; S25-I30 CarbonylContact C-O 3.58Å; S25-I30 WeakPolarHBondContact CB-O 3.38Å; S25-I30 PolarHBondContact O-N 2.94Å; S25-Y51 VanDerWaalsContact CA-OH 3.23Å; S25-Y51 WeakPolarHBondContact CA-OH 3.41Å; S25-Y51 WeakPolarHBondContact CB-OH 3.2Å; S25-Y51 PolarHBondContact N-OH 3Å; S25-Y51 PolarHBondContact OG-OH 3.18Å; S25-L84 WeakPolarHBondContact OG-CD2 3.45Å
26D92.6Very high95.3Very high54 Ų5425.1 Ų25.129%0.28914%0.141SC..Hα-helixtrans-63.1-35.8178.1-170.148.3000113E22 V23 I24 G29 R359E22-D26 WeakPolarHBondContact O-CB 3.33Å; E22-D26 PolarHBondContact O-N 3.4Å; V23-D26 PolarHBondContact O-N 3.49Å; I24-D26 VanDerWaalsContact C-N 3.28Å; I24-D26 PolarHBondContact O-N 3.4Å; D26-G29 PolarHBondContact O-N 2.94Å; D26-R359 VanDerWaalsContact CG-CD 3.41Å; D26-R359 WeakPolarHBondContact OD1-CD 3.49Å; D26-R359 IonicContact OD1-CZ 3.7Å; D26-R359 IonicContact OD1-NE 2.7Å; D26-R359 IonicContact OD1-NH1 3.94Å; D26-R359 PolarHBondContact OD1-NH1 2.92Å; D26-R359 IonicContact OD1-NH2 3.83Å; D26-R359 WeakPolarHBondContact OD2-CB 3.41Å; D26-R359 WeakPolarHBondContact OD2-CD 3.39Å; D26-R359 IonicContact OD2-NE 3.49Å; D26-R359 IonicContact OD2-NH1 2.89Å
27E92.3Very high95.1Very high10 Ų1031.5 Ų31.55%0.04717%0.17CC..Hα-helixtrans-69-37.9172.3-70.8177.6-174.100113.2V23 I24 S25 G29 Q43 S234 R241 F242 R318V23-E27 WeakPolarHBondContact O-CG 3.37Å; V23-E27 PolarHBondContact O-N 3.2Å; V23-E27 VanDerWaalsContact O-N 3.1Å; I24-E27 PolarHBondContact O-N 3.43Å; S25-E27 VanDerWaalsContact C-N 3.32Å; S25-E27 PolarHBondContact O-N 2.89Å; E27-G29 VanDerWaalsContact C-N 3.25Å; E27-G29 PolarHBondContact O-N 3.35Å; E27-Q43 WeakPolarHBondContact O-CG 3.28Å; E27-Q43 PolarHBondContact O-NE2 3.45Å; E27-S234 VanDerWaalsContact CD-OG 3.22Å; E27-S234 PolarHBondContact OE1-OG 3.32Å; E27-S234 PolarHBondContact OE2-OG 2.8Å; E27-R241 IonicContact OE2-CZ 3.94Å; E27-R241 VanDerWaalsContact OE2-CZ 3.27Å; E27-R241 IonicContact OE2-NH1 3.84Å; E27-R241 PolarHBondContact OE2-NH1 3.45Å; E27-R241 IonicContact OE2-NH2 2.67Å; E27-R241 PolarHBondContact OE2-NH2 3.38Å; E27-F242 HydrophobicContact CB-CE2 4.31Å; E27-F242 HydrophobicContact CB-CZ 4.04Å; E27-R318 IonicContact OE1-CZ 3.3Å; E27-R318 IonicContact OE1-NH1 2.98Å; E27-R318 PolarHBondContact OE1-NH1 3.39Å; E27-R318 IonicContact OE1-NH2 3.24Å; E27-R318 PolarHBondContact OE1-NH2 3.28Å; E27-R318 VanDerWaalsContact OE1-NH2 3.08Å; E27-R318 IonicContact OE2-CZ 3.29Å; E27-R318 IonicContact OE2-NH1 3.91Å; E27-R318 PolarHBondContact OE2-NH1 3.24Å; E27-R318 IonicContact OE2-NH2 2.83Å; E27-R318 PolarHBondContact OE2-NH2 2.53Å
28H93.1Very high94.7Very high1 Ų132.6 Ų32.61%0.00518%0.182CC..THydrogen-bonded Turntrans-82.32.1176-74.3-71.3000113.3I24 S25 I30 Y36 Q43 I47 R241 F242I24-H28 PolarHBondContact O-CD2 3.49Å; I24-H28 PolarHBondContact O-N 2.9Å; S25-H28 CarbonylContact O-C 3.53Å; S25-H28 PolarHBondContact O-N 3.13Å; S25-H28 VanDerWaalsContact O-N 3.17Å; H28-I30 HydrophobicContact CB-CG1 3.92Å; H28-I30 PolarHBondContact O-N 3.17Å; H28-Y36 VanDerWaalsContact O-CD2 3.31Å; H28-Y36 WeakPolarHBondContact O-CD2 3.47Å; H28-Y36 WeakPolarHBondContact O-CE2 3.43Å; H28-Q43 PolarHBondContact ND1-O 3.44Å; H28-I47 HydrophobicContact CB-CD1 4.12Å; H28-R241 PolarHBondContact NE2-NH1 3.26Å; H28-F242 AromaticContact CE1-CE1 3.44Å; H28-F242 VanDerWaalsContact CE1-CE1 3.44Å; H28-F242 WeakPolarHBondContact CE1-CE1 3.46Å; H28-F242 AromaticContact CE1-CZ 3.65Å; H28-F242 AromaticContact ND1-CE1 3.63Å; H28-F242 AromaticContact ND1-CZ 3.91Å; H28-F242 AromaticContact NE2-CZ 3.93Å
29G93.8Very high94.3Very high13 Ų1338.8 Ų38.813%0.13421%0.211CC..THydrogen-bonded Turntrans66.423.7-178.100000113.5S25 D26 E27 Y36 H37S25-G29 PolarHBondContact O-N 3.5Å; D26-G29 PolarHBondContact O-N 2.94Å; E27-G29 VanDerWaalsContact C-N 3.25Å; E27-G29 PolarHBondContact O-N 3.35Å; G29-Y36 CarbonylContact O-C 3.49Å; G29-Y36 WeakPolarHBondContact O-CA 3.45Å; G29-H37 PolarHBondContact O-N 2.92Å
30I95.6Very high93.8Very high4 Ų438.2 Ų38.22%0.02121%0.213CC..BIsolated β-bridgetrans-92.1124.6179.1-56.5-52.4000109.8S25 H28 Y36 I47 Y51 Y59 L84S25-I30 CarbonylContact C-O 3.58Å; S25-I30 WeakPolarHBondContact CB-O 3.38Å; S25-I30 PolarHBondContact O-N 2.94Å; H28-I30 HydrophobicContact CB-CG1 3.92Å; H28-I30 PolarHBondContact O-N 3.17Å; I30-Y36 HydrophobicContact CD1-CD2 4.04Å; I30-Y36 HydrophobicContact CD1-CG 4.48Å; I30-I47 HydrophobicContact CD1-CD1 3.83Å; I30-I47 HydrophobicContact CG1-CD1 3.96Å; I30-Y51 HydrophobicContact CG2-CE1 4.5Å; I30-Y59 HydrophobicContact CD1-CD2 3.36Å; I30-Y59 HydrophobicContact CD1-CE2 4.04Å; I30-Y59 HydrophobicContact CD1-CG 3.89Å; I30-Y59 HydrophobicContact CG1-CD2 4.46Å; I30-L84 HydrophobicContact CG2-CD1 4.27Å
31D95.3Very high93.4Very high39 Ų3945 Ų4521%0.20925%0.249CC..  trans-80.6173.5175.884.3-8.6000112.2T33 G34 T35 H37D31-T33 VanDerWaalsContact CG-OG1 3.31Å; D31-T33 PolarHBondContact O-N 2.86Å; D31-T33 VanDerWaalsContact OD1-CA 3.32Å; D31-T33 WeakPolarHBondContact OD1-CA 3.33Å; D31-T33 WeakPolarHBondContact OD1-CB 3.33Å; D31-T33 PolarHBondContact OD1-N 3.01Å; D31-T33 PolarHBondContact OD1-OG1 3.46Å; D31-T33 PolarHBondContact OD2-OG1 3.23Å; D31-T33 VanDerWaalsContact OD2-OG1 3.14Å; D31-G34 PolarHBondContact O-N 3.43Å; D31-G34 PolarHBondContact OD1-N 3.04Å; D31-G34 VanDerWaalsContact OD1-N 3.13Å; D31-T35 PolarHBondContact N-O 2.89Å; D31-T35 PolarHBondContact OD1-N 3.13Å; D31-H37 IonicContact OD2-CD2 3.67Å; D31-H37 IonicContact OD2-NE2 3.78Å
32P95.8Very high92.9Very high50 Ų5048.2 Ų48.233%0.32527%0.267SS..THydrogen-bonded Turntrans-61.2-12.3178.2-2635.8000116P80 F81P32-P80 VanDerWaalsContact CB-O 3.31Å; P32-P80 WeakPolarHBondContact CB-O 3.11Å; P32-F81 HydrophobicContact CB-CD1 4.22Å; P32-F81 HydrophobicContact CB-CE1 4.33Å; P32-F81 HydrophobicContact CB-CG 4.47Å; P32-F81 HydrophobicContact CG-CD1 4.27Å; P32-F81 HydrophobicContact CG-CD2 4.45Å; P32-F81 HydrophobicContact CG-CE1 3.96Å; P32-F81 HydrophobicContact CG-CE2 4.11Å; P32-F81 HydrophobicContact CG-CZ 3.88Å
33T94.3Very high92.6Very high73 Ų7346 Ų4645%0.44826%0.256SS..THydrogen-bonded Turntrans-92.8-3.3177.278.40000113D31 T35D31-T33 VanDerWaalsContact CG-OG1 3.31Å; D31-T33 PolarHBondContact O-N 2.86Å; D31-T33 VanDerWaalsContact OD1-CA 3.32Å; D31-T33 WeakPolarHBondContact OD1-CA 3.33Å; D31-T33 WeakPolarHBondContact OD1-CB 3.33Å; D31-T33 PolarHBondContact OD1-N 3.01Å; D31-T33 PolarHBondContact OD1-OG1 3.46Å; D31-T33 PolarHBondContact OD2-OG1 3.23Å; D31-T33 VanDerWaalsContact OD2-OG1 3.14Å; T33-T35 PolarHBondContact OG1-OG1 2.8Å
34G95.9Very high92.4Very high2 Ų247.4 Ų47.42%0.02126%0.263CS..SBendtrans85.110.1-174.800000113.5D31 K58 Y59 L84D31-G34 PolarHBondContact O-N 3.43Å; D31-G34 PolarHBondContact OD1-N 3.04Å; D31-G34 VanDerWaalsContact OD1-N 3.13Å; G34-K58 CarbonylContact O-C 3.56Å; G34-K58 WeakPolarHBondContact O-CA 3.45Å; G34-Y59 WeakPolarHBondContact CA-O 3.47Å; G34-Y59 PolarHBondContact O-N 2.76Å; G34-L84 VanDerWaalsContact CA-CD1 3.44Å
35T96.4Very high92.1Very high47 Ų4751.2 Ų51.229%0.28828%0.281SS..BIsolated β-bridgetrans-93.7136.1-175.4-53.70000110.6D31 T33D31-T35 PolarHBondContact N-O 2.89Å; D31-T35 PolarHBondContact OD1-N 3.13Å; T33-T35 PolarHBondContact OG1-OG1 2.8Å
36Y95.3Very high91.9Very high57 Ų5754.3 Ų54.322%0.22429%0.292CS..BIsolated β-bridgetrans-76.5126.2176.8176.9-105.2000112.2H28 G29 I30 G38 S40 Q43 L44H28-Y36 VanDerWaalsContact O-CD2 3.31Å; H28-Y36 WeakPolarHBondContact O-CD2 3.47Å; H28-Y36 WeakPolarHBondContact O-CE2 3.43Å; G29-Y36 CarbonylContact O-C 3.49Å; G29-Y36 WeakPolarHBondContact O-CA 3.45Å; I30-Y36 HydrophobicContact CD1-CD2 4.04Å; I30-Y36 HydrophobicContact CD1-CG 4.48Å; Y36-G38 VanDerWaalsContact CE2-CA 3.42Å; Y36-G38 VanDerWaalsContact OH-C 3.23Å; Y36-G38 WeakPolarHBondContact OH-CA 3.32Å; Y36-G38 PolarHBondContact OH-O 2.83Å; Y36-S40 PolarHBondContact OH-N 3.44Å; Y36-S40 PolarHBondContact OH-O 3.19Å; Y36-Q43 HydrophobicContact CE2-CB 3.96Å; Y36-L44 HydrophobicContact CD1-CD1 4.06Å; Y36-L44 HydrophobicContact CD1-CD2 4.4Å; Y36-L44 HydrophobicContact CD1-CG 4.45Å; Y36-L44 HydrophobicContact CD2-CD1 4.47Å; Y36-L44 HydrophobicContact CD2-CD2 3.49Å; Y36-L44 VanDerWaalsContact CD2-CD2 3.49Å; Y36-L44 HydrophobicContact CD2-CG 4Å; Y36-L44 HydrophobicContact CE1-CD1 3.92Å; Y36-L44 HydrophobicContact CE1-CG 4.25Å; Y36-L44 HydrophobicContact CE2-CD1 4.34Å; Y36-L44 HydrophobicContact CE2-CD2 3.77Å; Y36-L44 HydrophobicContact CE2-CG 3.77Å; Y36-L44 HydrophobicContact CG-CD1 4.32Å; Y36-L44 HydrophobicContact CG-CD2 3.83Å; Y36-L44 HydrophobicContact CG-CG 4.32Å
37H93.3Very high92Very high136 Ų13652.3 Ų52.363%0.6328%0.281SS*.  trans-129.821.7175.9-71.6-70.7000112.2G29 D31G29-H37 PolarHBondContact O-N 2.92Å; D31-H37 IonicContact OD2-CD2 3.67Å; D31-H37 IonicContact OD2-NE2 3.78Å
38G88.1Confident92.1Very high23 Ų2353 Ų5324%0.23729%0.286CS..  trans-73.6168.4178.700000113.9Y36Y36-G38 VanDerWaalsContact CE2-CA 3.42Å; Y36-G38 VanDerWaalsContact OH-C 3.23Å; Y36-G38 WeakPolarHBondContact OH-CA 3.32Å; Y36-G38 PolarHBondContact OH-O 2.83Å
39D87.9Confident92.2Very high157 Ų15753.2 Ų53.284%0.8429%0.286SS*.SBendtrans-115.63-17764.9-9.4000113.2
40S86.6Confident92.3Very high42 Ų4252.6 Ų52.629%0.29428%0.28SS..  trans-140.7130.6-177.8-176.60000112.4Y36 L42 Q43Y36-S40 PolarHBondContact OH-N 3.44Å; Y36-S40 PolarHBondContact OH-O 3.19Å; S40-L42 PolarHBondContact O-N 2.78Å; S40-L42 VanDerWaalsContact O-N 3.08Å; S40-L42 PolarHBondContact OG-N 2.89Å; S40-Q43 VanDerWaalsContact O-CB 3.29Å; S40-Q43 WeakPolarHBondContact O-CB 3.25Å; S40-Q43 PolarHBondContact O-N 2.81Å
41D87Confident92.4Very high142 Ų14252.5 Ų52.576%0.75928%0.28SS*.G310 helixtrans-57.4-26.1175.7-61.9-28.3000113Q43 L44 E45D41-Q43 PolarHBondContact O-N 3.48Å; D41-L44 PolarHBondContact O-N 3.18Å; D41-E45 PolarHBondContact O-N 3.08Å
42L86.4Confident92.4Very high69 Ų6952.4 Ų52.436%0.36128%0.279SS..G310 helixtrans-60.9-24.5175.4-62.6173.2000112.4S40 L44 E45 F242 P243 I356S40-L42 PolarHBondContact O-N 2.78Å; S40-L42 VanDerWaalsContact O-N 3.08Å; S40-L42 PolarHBondContact OG-N 2.89Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L42-E45 PolarHBondContact O-N 3.02Å; L42-F242 WeakPolarHBondContact O-CD1 3.18Å; L42-P243 HydrophobicContact CD2-CG 3.91Å; L42-I356 HydrophobicContact CB-CD1 3.94Å
43Q89.5Confident92.3Very high25 Ų2556.1 Ų56.112%0.11729%0.292CS..G310 helixtrans-71.9-25.6177.5-64.3-177.8-69.700112.6E27 H28 Y36 S40 D41E27-Q43 WeakPolarHBondContact O-CG 3.28Å; E27-Q43 PolarHBondContact O-NE2 3.45Å; H28-Q43 PolarHBondContact ND1-O 3.44Å; Y36-Q43 HydrophobicContact CE2-CB 3.96Å; S40-Q43 VanDerWaalsContact O-CB 3.29Å; S40-Q43 WeakPolarHBondContact O-CB 3.25Å; S40-Q43 PolarHBondContact O-N 2.81Å; D41-Q43 PolarHBondContact O-N 3.48Å
44L91.5Very high92.2Very high52 Ų5254.2 Ų54.227%0.27228%0.284SS..THydrogen-bonded Turntrans-92.1-16.7175.4-66.4179.1000112.2Y36 D41 L42 R46 I47 Y59Y36-L44 HydrophobicContact CD1-CD1 4.06Å; Y36-L44 HydrophobicContact CD1-CD2 4.4Å; Y36-L44 HydrophobicContact CD1-CG 4.45Å; Y36-L44 HydrophobicContact CD2-CD1 4.47Å; Y36-L44 HydrophobicContact CD2-CD2 3.49Å; Y36-L44 VanDerWaalsContact CD2-CD2 3.49Å; Y36-L44 HydrophobicContact CD2-CG 4Å; Y36-L44 HydrophobicContact CE1-CD1 3.92Å; Y36-L44 HydrophobicContact CE1-CG 4.25Å; Y36-L44 HydrophobicContact CE2-CD1 4.34Å; Y36-L44 HydrophobicContact CE2-CD2 3.77Å; Y36-L44 HydrophobicContact CE2-CG 3.77Å; Y36-L44 HydrophobicContact CG-CD1 4.32Å; Y36-L44 HydrophobicContact CG-CD2 3.83Å; Y36-L44 HydrophobicContact CG-CG 4.32Å; D41-L44 PolarHBondContact O-N 3.18Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.48Å; L44-I47 HydrophobicContact CD2-CD1 3.8Å; L44-I47 WeakPolarHBondContact O-CB 3.25Å; L44-I47 WeakPolarHBondContact O-CG2 3.21Å; L44-I47 PolarHBondContact O-N 3.42Å; L44-Y59 HydrophobicContact CD2-CE2 3.95Å
45E88.7Confident91.8Very high80 Ų8060.6 Ų60.637%0.37432%0.322SS..THydrogen-bonded Turntrans-62.6127.4177.6-157.3-176.4145.400110.2D41 L42 I47 P243D41-E45 PolarHBondContact O-N 3.08Å; L42-E45 PolarHBondContact O-N 3.02Å; E45-I47 PolarHBondContact O-N 2.95Å; E45-I47 VanDerWaalsContact O-N 3.1Å; E45-P243 WeakPolarHBondContact OE1-CB 3.44Å; E45-P243 VanDerWaalsContact OE2-CG 3.29Å; E45-P243 WeakPolarHBondContact OE2-CG 3.38Å
46R91.4Very high91.4Very high65 Ų6562.3 Ų62.325%0.24535%0.349CS..THydrogen-bonded Turntrans56.718.9-176.5-48.6-179.5-175.7-176.7-1.3115.2L44 N48 V49 C239 L240 F242L44-R46 PolarHBondContact O-N 3.48Å; R46-N48 WeakPolarHBondContact CA-OD1 3.12Å; R46-N48 PolarHBondContact O-N 3.27Å; R46-N48 VanDerWaalsContact O-N 3.08Å; R46-V49 HydrophobicContact CB-CG2 3.93Å; R46-V49 VanDerWaalsContact O-CB 3.31Å; R46-V49 WeakPolarHBondContact O-CB 3.25Å; R46-V49 WeakPolarHBondContact O-CG2 3.25Å; R46-V49 PolarHBondContact O-N 2.84Å; R46-C239 PolarHBondContact NH1-O 2.85Å; R46-L240 VanDerWaalsContact CD-O 3.28Å; R46-L240 WeakPolarHBondContact CD-O 3.35Å; R46-F242 PolarHBondContact NH1-O 3.05Å
47I93.4Very high91.1Very high12 Ų1261.1 Ų61.16%0.06235%0.354CS..G310 helixtrans-55.7-30.3175.7-166.4165.1000112.3H28 I30 L44 E45 V49 Y50 Y51 Y59H28-I47 HydrophobicContact CB-CD1 4.12Å; I30-I47 HydrophobicContact CD1-CD1 3.83Å; I30-I47 HydrophobicContact CG1-CD1 3.96Å; L44-I47 HydrophobicContact CD2-CD1 3.8Å; L44-I47 WeakPolarHBondContact O-CB 3.25Å; L44-I47 WeakPolarHBondContact O-CG2 3.21Å; L44-I47 PolarHBondContact O-N 3.42Å; E45-I47 PolarHBondContact O-N 2.95Å; E45-I47 VanDerWaalsContact O-N 3.1Å; I47-V49 PolarHBondContact O-N 3.48Å; I47-V49 VanDerWaalsContact O-N 3.07Å; I47-Y50 PolarHBondContact O-N 2.76Å; I47-Y51 HydrophobicContact CG1-CD2 3.74Å; I47-Y51 HydrophobicContact CG1-CG 4.12Å; I47-Y51 WeakPolarHBondContact O-CB 3.29Å; I47-Y51 PolarHBondContact O-N 2.86Å; I47-Y59 HydrophobicContact CD1-CD1 3.6Å; I47-Y59 HydrophobicContact CD1-CD2 4.16Å; I47-Y59 HydrophobicContact CD1-CE1 3.83Å; I47-Y59 HydrophobicContact CD1-CE2 4.33Å; I47-Y59 HydrophobicContact CD1-CG 3.77Å; I47-Y59 HydrophobicContact CG1-CD1 4.05Å; I47-Y59 HydrophobicContact CG1-CE1 4.36Å; I47-Y59 HydrophobicContact CG2-CD1 4.1Å; I47-Y59 HydrophobicContact CG2-CE1 3.66Å
48N94.2Very high91.2Very high25 Ų2559.3 Ų59.313%0.13435%0.345CS..G310 helixtrans-61.2-17.517971-71.2000113.6M1 E3 R46 Y50 Y51 R62M1-N48 WeakPolarHBondContact CB-ND2 3.47Å; M1-N48 WeakPolarHBondContact CE-OD1 3.26Å; M1-N48 PolarHBondContact SD-OD1 3.48Å; E3-N48 WeakPolarHBondContact CG-O 3.46Å; E3-N48 PolarHBondContact OE1-ND2 2.99Å; R46-N48 WeakPolarHBondContact CA-OD1 3.12Å; R46-N48 PolarHBondContact O-N 3.27Å; R46-N48 VanDerWaalsContact O-N 3.08Å; N48-Y50 VanDerWaalsContact C-N 3.25Å; N48-Y50 PolarHBondContact O-N 2.91Å; N48-Y51 CarbonylContact C-O 3.47Å; N48-Y51 WeakPolarHBondContact CA-O 3.35Å; N48-R62 PolarHBondContact O-NE 2.9Å; N48-R62 VanDerWaalsContact O-NE 3.15Å
49V95Very high91.6Very high4 Ų459.3 Ų59.32%0.02434%0.338CS..G310 helixtrans-56.6-42.7178.1172.70000110.8I4 R46 I47 L240I4-V49 HydrophobicContact CD1-CG1 3.94Å; I4-V49 HydrophobicContact CG1-CG1 4.23Å; I4-V49 PolarHBondContact N-O 2.56Å; R46-V49 HydrophobicContact CB-CG2 3.93Å; R46-V49 VanDerWaalsContact O-CB 3.31Å; R46-V49 WeakPolarHBondContact O-CB 3.25Å; R46-V49 WeakPolarHBondContact O-CG2 3.25Å; R46-V49 PolarHBondContact O-N 2.84Å; I47-V49 PolarHBondContact O-N 3.48Å; I47-V49 VanDerWaalsContact O-N 3.07Å; V49-L240 HydrophobicContact CG1-CB 4.26Å; V49-L240 WeakPolarHBondContact CG2-O 3.47Å
50Y96.6Very high92.1Very high1 Ų152.9 Ų52.90%0.00430%0.304CS..THydrogen-bonded Turntrans-117.5-15.2179.6-81.7-76.9000113.7I4 H6 F20 W21 I24 I47 N48 R62 Q134 T237 R241I4-Y50 HydrophobicContact CB-CE1 4.17Å; I4-Y50 HydrophobicContact CD1-CE2 4.27Å; I4-Y50 HydrophobicContact CG2-CE1 3.93Å; H6-Y50 HydrophobicContact CB-CD1 4.48Å; H6-Y50 HydrophobicContact CB-CE1 4.28Å; F20-Y50 HydrophobicContact CE1-CE1 4.34Å; F20-Y50 HydrophobicContact CZ-CE1 4.44Å; W21-Y50 AromaticContact CH2-CD1 3.81Å; W21-Y50 HydrophobicContact CH2-CD1 3.81Å; W21-Y50 HydrophobicContact CH2-CG 4.2Å; W21-Y50 WeakPolarHBondContact CH2-O 3.43Å; W21-Y50 HydrophobicContact CZ2-CD1 4.33Å; I24-Y50 HydrophobicContact CD1-CG 4.25Å; I47-Y50 PolarHBondContact O-N 2.76Å; N48-Y50 VanDerWaalsContact C-N 3.25Å; N48-Y50 PolarHBondContact O-N 2.91Å; Y50-R62 WeakPolarHBondContact O-CB 3.26Å; Y50-R62 PolarHBondContact O-N 3.36Å; Y50-Q134 PolarHBondContact OH-NE2 2.81Å; Y50-Q134 PolarHBondContact OH-OE1 2.92Å; Y50-T237 HydrophobicContact CE2-CG2 4.37Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.46Å; Y50-R241 HydrophobicContact CD2-CG 3.56Å; Y50-R241 HydrophobicContact CE2-CG 3.77Å
51Y97.1Very high92.6Very high1 Ų151 Ų510%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-113.6152.2179.8-64.2-96.9000111.5W21 I24 S25 I30 I47 N48 V60 P61 R62 L84W21-Y51 HydrophobicContact CE3-CE1 4.32Å; W21-Y51 HydrophobicContact CE3-CE2 4.5Å; W21-Y51 AromaticContact CE3-CZ 3.92Å; W21-Y51 HydrophobicContact CZ3-CD2 4.49Å; W21-Y51 HydrophobicContact CZ3-CE1 4.09Å; W21-Y51 AromaticContact CZ3-CE2 3.95Å; W21-Y51 HydrophobicContact CZ3-CE2 3.95Å; W21-Y51 AromaticContact CZ3-CZ 3.73Å; I24-Y51 HydrophobicContact CD1-CE2 4.24Å; S25-Y51 VanDerWaalsContact CA-OH 3.23Å; S25-Y51 WeakPolarHBondContact CA-OH 3.41Å; S25-Y51 WeakPolarHBondContact CB-OH 3.2Å; S25-Y51 PolarHBondContact N-OH 3Å; S25-Y51 PolarHBondContact OG-OH 3.18Å; I30-Y51 HydrophobicContact CG2-CE1 4.5Å; I47-Y51 HydrophobicContact CG1-CD2 3.74Å; I47-Y51 HydrophobicContact CG1-CG 4.12Å; I47-Y51 WeakPolarHBondContact O-CB 3.29Å; I47-Y51 PolarHBondContact O-N 2.86Å; N48-Y51 CarbonylContact C-O 3.47Å; N48-Y51 WeakPolarHBondContact CA-O 3.35Å; Y51-V60 CarbonylContact C-O 3.4Å; Y51-V60 WeakPolarHBondContact CA-O 3.41Å; Y51-P61 HydrophobicContact CD1-CG 4.28Å; Y51-P61 HydrophobicContact CE1-CG 3.91Å; Y51-R62 PolarHBondContact O-NE 3.37Å; Y51-R62 PolarHBondContact O-NH2 3.03Å; Y51-L84 HydrophobicContact CE1-CD2 4.38Å
52N95.3Very high93.1Very high38 Ų3844.6 Ų44.620%0.20326%0.256CS..EExtended strand (participates in β ladder)trans-106133.8163.5-1701.4000108.3A54 V60 R86N52-A54 PolarHBondContact O-N 2.83Å; N52-V60 PolarHBondContact N-O 3.36Å; N52-V60 PolarHBondContact O-N 3.05Å; N52-R86 PolarHBondContact ND2-NH2 2.96Å
53E93.8Very high93.7Very high128 Ų12841.4 Ų41.460%0.59824%0.239SC*.EExtended strand (participates in β ladder)trans-81.4109.8174.3-169.9178.9171.500109.1Y59E53-Y59 HydrophobicContact CB-CD1 4.43Å; E53-Y59 HydrophobicContact CB-CE1 4.2Å; E53-Y59 HydrophobicContact CG-CE1 4.14Å
54A91.9Very high94.1Very high33 Ų3340.2 Ų40.227%0.27323%0.234SC..EExtended strand (participates in β ladder)trans-89.7174.2175.800000111.5N52 G57 K58 V60N52-A54 PolarHBondContact O-N 2.83Å; A54-G57 PolarHBondContact O-N 3Å; A54-K58 HydrophobicContact CB-CB 4.43Å; A54-K58 WeakPolarHBondContact CB-O 3.46Å; A54-K58 PolarHBondContact N-O 2.56Å; A54-V60 HydrophobicContact CB-CG2 3.86Å
55T88Confident94.4Very high135 Ų13537.7 Ų37.783%0.82822%0.221SC*.THydrogen-bonded Turntrans-56.8140.8178.448.90000112.1
56G88.4Confident94.9Very high83 Ų8333.9 Ų33.986%0.85620%0.203SC*.THydrogen-bonded Turntrans79.815.4-178.500000114.8K58G56-K58 VanDerWaalsContact C-N 3.34Å
57G89.4Confident95.2Very high32 Ų3231 Ų3133%0.3319%0.192SC..THydrogen-bonded Turntrans73.127178.200000113.1A54A54-G57 PolarHBondContact O-N 3Å
58K95.1Very high95.3Very high98 Ų9830.4 Ų30.443%0.42619%0.189SC..EExtended strand (participates in β ladder)trans-89.9132.4177.5-70.2-168.8173.5-159.60110.5G34 A54 G56G34-K58 CarbonylContact O-C 3.56Å; G34-K58 WeakPolarHBondContact O-CA 3.45Å; A54-K58 HydrophobicContact CB-CB 4.43Å; A54-K58 WeakPolarHBondContact CB-O 3.46Å; A54-K58 PolarHBondContact N-O 2.56Å; G56-K58 VanDerWaalsContact C-N 3.34Å
59Y97Very high95.3Very high23 Ų2333.9 Ų33.99%0.0921%0.205CC..EExtended strand (participates in β ladder)trans-95.7124.3175.7-63.6-81.4000110.2I30 G34 L44 I47 E53 L84I30-Y59 HydrophobicContact CD1-CD2 3.36Å; I30-Y59 HydrophobicContact CD1-CE2 4.04Å; I30-Y59 HydrophobicContact CD1-CG 3.89Å; I30-Y59 HydrophobicContact CG1-CD2 4.46Å; G34-Y59 WeakPolarHBondContact CA-O 3.47Å; G34-Y59 PolarHBondContact O-N 2.76Å; L44-Y59 HydrophobicContact CD2-CE2 3.95Å; I47-Y59 HydrophobicContact CD1-CD1 3.6Å; I47-Y59 HydrophobicContact CD1-CD2 4.16Å; I47-Y59 HydrophobicContact CD1-CE1 3.83Å; I47-Y59 HydrophobicContact CD1-CE2 4.33Å; I47-Y59 HydrophobicContact CD1-CG 3.77Å; I47-Y59 HydrophobicContact CG1-CD1 4.05Å; I47-Y59 HydrophobicContact CG1-CE1 4.36Å; I47-Y59 HydrophobicContact CG2-CD1 4.1Å; I47-Y59 HydrophobicContact CG2-CE1 3.66Å; E53-Y59 HydrophobicContact CB-CD1 4.43Å; E53-Y59 HydrophobicContact CB-CE1 4.2Å; E53-Y59 HydrophobicContact CG-CE1 4.14Å; Y59-L84 WeakPolarHBondContact O-CD1 2.74Å
60V97.4Very high95.2Very high23 Ų2335.6 Ų35.614%0.13922%0.216CC..EExtended strand (participates in β ladder)trans-119.1125.4-176-177.30000109.5Y51 N52 A54 R86Y51-V60 CarbonylContact C-O 3.4Å; Y51-V60 WeakPolarHBondContact CA-O 3.41Å; N52-V60 PolarHBondContact N-O 3.36Å; N52-V60 PolarHBondContact O-N 3.05Å; A54-V60 HydrophobicContact CB-CG2 3.86Å; V60-R86 HydrophobicContact CG1-CG 3.4Å
61P97.8Very high95Very high1 Ų137.5 Ų37.51%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-52.5136.2176.6-32.239000113.9W21 Y51 A63 L84 F85W21-P61 HydrophobicContact CD2-CB 3.99Å; W21-P61 HydrophobicContact CD2-CG 4.15Å; W21-P61 HydrophobicContact CE3-CB 3.75Å; W21-P61 HydrophobicContact CE3-CG 3.74Å; W21-P61 HydrophobicContact CH2-CB 3.54Å; W21-P61 HydrophobicContact CH2-CG 4.39Å; W21-P61 HydrophobicContact CZ2-CB 3.76Å; W21-P61 HydrophobicContact CZ3-CB 3.52Å; W21-P61 HydrophobicContact CZ3-CG 3.87Å; Y51-P61 HydrophobicContact CD1-CG 4.28Å; Y51-P61 HydrophobicContact CE1-CG 3.91Å; P61-A63 HydrophobicContact CB-CB 3.81Å; P61-A63 PolarHBondContact O-N 3.25Å; P61-L84 VanDerWaalsContact CD-O 3.29Å; P61-L84 WeakPolarHBondContact CD-O 3.42Å; P61-L84 HydrophobicContact CG-CD2 3.65Å; P61-L84 HydrophobicContact CG-CG 3.64Å; P61-F85 HydrophobicContact CB-CD1 3.94Å; P61-F85 HydrophobicContact CB-CE1 4.02Å; P61-F85 HydrophobicContact CG-CD1 4.03Å; P61-F85 HydrophobicContact CG-CE1 4.03Å
62R97.7Very high94.7Very high9 Ų938 Ų383%0.03424%0.239CC..  trans-78.861.1162.8-61.9179.7-171.2-801.5109.1H6 N48 Y50 Y51 S126H6-R62 PolarHBondContact N-O 2.84Å; N48-R62 PolarHBondContact O-NE 2.9Å; N48-R62 VanDerWaalsContact O-NE 3.15Å; Y50-R62 WeakPolarHBondContact O-CB 3.26Å; Y50-R62 PolarHBondContact O-N 3.36Å; Y51-R62 PolarHBondContact O-NE 3.37Å; Y51-R62 PolarHBondContact O-NH2 3.03Å; R62-S126 PolarHBondContact NH1-O 3.01Å; R62-S126 PolarHBondContact NH1-OG 3.31Å
63A98Very high94.6Very high1 Ų136.1 Ų36.11%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-117.7139.9-173.300000110.8H6 W21 P61 L65 F85 N89H6-A63 CarbonylContact O-C 3.51Å; H6-A63 VanDerWaalsContact O-CA 3.24Å; H6-A63 WeakPolarHBondContact O-CA 2.85Å; W21-A63 HydrophobicContact CZ2-CB 3.57Å; P61-A63 HydrophobicContact CB-CB 3.81Å; P61-A63 PolarHBondContact O-N 3.25Å; A63-L65 HydrophobicContact CB-CD1 4.24Å; A63-F85 HydrophobicContact CB-CD1 3.78Å; A63-F85 HydrophobicContact CB-CE1 3.81Å; A63-N89 WeakPolarHBondContact O-CB 3.48Å; A63-N89 PolarHBondContact O-ND2 3.48Å
64I98.5Very high94.7Very high0 Ų034.2 Ų34.20%022%0.223CC..EExtended strand (participates in β ladder)trans-123.3122.3173.7-53.4174000107.4V5 H6 I7 Q8 V66 V116 V119 V120 E123V5-I64 HydrophobicContact CG1-CD1 3.77Å; V5-I64 HydrophobicContact CG1-CG1 4.3Å; H6-I64 PolarHBondContact O-N 2.87Å; I7-I64 CarbonylContact C-O 3.55Å; I7-I64 WeakPolarHBondContact CA-O 3.26Å; I7-I64 HydrophobicContact CG1-CB 4.42Å; I7-I64 HydrophobicContact CG1-CD1 4.4Å; Q8-I64 PolarHBondContact N-O 3.47Å; I64-V66 HydrophobicContact CG2-CG2 3.92Å; I64-V116 HydrophobicContact CG2-CG1 4.3Å; I64-V119 HydrophobicContact CD1-CB 4.48Å; I64-V119 HydrophobicContact CD1-CG1 3.94Å; I64-V119 HydrophobicContact CG1-CG1 3.86Å; I64-V119 HydrophobicContact CG2-CB 4.42Å; I64-V119 HydrophobicContact CG2-CG1 4Å; I64-V120 VanDerWaalsContact CD1-CA 3.45Å; I64-V120 HydrophobicContact CD1-CB 4.07Å; I64-V120 HydrophobicContact CD1-CG2 3.54Å; I64-E123 HydrophobicContact CD1-CB 4.35Å; I64-E123 HydrophobicContact CD1-CG 4.17Å; I64-E123 HydrophobicContact CG1-CG 4.17Å
65L98.5Very high94.8Very high0 Ų036.7 Ų36.70%024%0.238CC..EExtended strand (participates in β ladder)trans-109.5116.7-174.9-63.892.8000108.3N14 A63 M73 V76 F85 N89 F90 V91N14-L65 WeakPolarHBondContact OD1-CB 3.43Å; A63-L65 HydrophobicContact CB-CD1 4.24Å; L65-M73 HydrophobicContact CB-CE 4.37Å; L65-M73 HydrophobicContact CB-SD 3.99Å; L65-V76 HydrophobicContact CD2-CB 4.46Å; L65-V76 HydrophobicContact CD2-CG1 3.72Å; L65-F85 HydrophobicContact CD1-CB 4.23Å; L65-F85 HydrophobicContact CD1-CD1 3.83Å; L65-F85 HydrophobicContact CD1-CE1 4.37Å; L65-F85 HydrophobicContact CD1-CG 3.98Å; L65-N89 PolarHBondContact N-O 2.89Å; L65-F90 HydrophobicContact CB-CD1 4.08Å; L65-F90 HydrophobicContact CB-CE1 4.38Å; L65-F90 HydrophobicContact CD1-CE1 4.4Å; L65-F90 HydrophobicContact CD1-CZ 4.36Å; L65-F90 HydrophobicContact CD2-CD1 4.34Å; L65-F90 HydrophobicContact CD2-CE1 3.81Å; L65-F90 HydrophobicContact CD2-CZ 4.28Å; L65-F90 HydrophobicContact CG-CE1 4.44Å; L65-V91 PolarHBondContact O-N 3.19Å
66V98.1Very high95.1Very high0 Ų030.9 Ų30.90%020%0.203CC..EExtended strand (participates in β ladder)trans-123.1127.6-172.2-171.80000109.7I7 Q8 A9 G10 N14 I64 V91 L112 V116 M147 L151I7-V66 HydrophobicContact CG2-CG2 4.36Å; Q8-V66 PolarHBondContact O-N 3.07Å; A9-V66 WeakPolarHBondContact CA-O 3.31Å; G10-V66 PolarHBondContact N-O 3.47Å; N14-V66 PolarHBondContact ND2-O 3.5Å; I64-V66 HydrophobicContact CG2-CG2 3.92Å; V66-V91 WeakPolarHBondContact CA-O 3.37Å; V66-L112 HydrophobicContact CG1-CD2 4.36Å; V66-V116 HydrophobicContact CG1-CG2 3.78Å; V66-V116 HydrophobicContact CG2-CG1 3.65Å; V66-V116 HydrophobicContact CG2-CG2 3.98Å; V66-M147 HydrophobicContact CG1-CE 4.31Å; V66-L151 HydrophobicContact CG1-CD1 4.41Å; V66-L151 HydrophobicContact CG2-CD1 4.45Å
67D97.5Very high95.4Very high3 Ų330.8 Ų30.82%0.01618%0.176CC..EExtended strand (participates in β ladder)trans-148.2155.1165.4-150.9-21.8000111.1Q11 T72 M73 V91 F92 G93 T143Q11-D67 PolarHBondContact N-OD2 2.83Å; D67-T72 WeakPolarHBondContact OD2-CB 3.32Å; D67-T72 WeakPolarHBondContact OD2-CG2 3.35Å; D67-T72 PolarHBondContact OD2-OG1 2.99Å; D67-M73 HydrophobicContact CB-CE 3.71Å; D67-V91 PolarHBondContact N-O 3.08Å; D67-F92 CarbonylContact O-C 3.49Å; D67-F92 WeakPolarHBondContact O-CA 3.5Å; D67-F92 VanDerWaalsContact O-CB 3.26Å; D67-F92 WeakPolarHBondContact O-CB 3.29Å; D67-G93 PolarHBondContact O-N 2.85Å; D67-T143 PolarHBondContact OD1-OG1 3.35Å
68L96.6Very high95.6Very high1 Ų133.5 Ų33.51%0.00520%0.196CC..SBendtrans-83-8.5175.7-65.6171.6000112G93 Q94 S95 A97 E108 L112 T143 M147L68-G93 CarbonylContact O-C 3.56Å; L68-G93 WeakPolarHBondContact O-CA 3.46Å; L68-Q94 PolarHBondContact O-N 2.86Å; L68-S95 WeakPolarHBondContact CB-O 3.39Å; L68-S95 CarbonylContact O-C 3.13Å; L68-S95 VanDerWaalsContact O-C 3.31Å; L68-S95 PolarHBondContact O-N 2.77Å; L68-S95 VanDerWaalsContact O-O 3.09Å; L68-A97 HydrophobicContact CD1-CB 3.67Å; L68-E108 HydrophobicContact CD1-CB 3.95Å; L68-E108 HydrophobicContact CD2-CB 3.98Å; L68-E108 HydrophobicContact CG-CB 4.45Å; L68-L112 HydrophobicContact CD2-CB 4.31Å; L68-L112 HydrophobicContact CD2-CD2 3.84Å; L68-T143 HydrophobicContact CB-CG2 4.42Å; L68-T143 HydrophobicContact CD1-CG2 4.11Å; L68-T143 HydrophobicContact CG-CG2 3.84Å; L68-M147 HydrophobicContact CD1-CB 4.49Å
69E92.8Very high95.5Very high97 Ų9730 Ų3045%0.45319%0.188SC..SBendtrans-124.4145.4177.5-62.2-175.5132.300112.1G71E69-G71 VanDerWaalsContact C-N 3.32Å; E69-G71 PolarHBondContact O-N 2.79Å
70P93.6Very high95.3Very high41 Ų4134.2 Ų34.227%0.26622%0.217SC..Hα-helixtrans-70.7-25.2-179.927.3-34.6000113.7T72 M73 D74 F92P70-T72 VanDerWaalsContact C-N 3.34Å; P70-T72 PolarHBondContact O-N 2.88Å; P70-M73 WeakPolarHBondContact O-CB 3.32Å; P70-M73 PolarHBondContact O-N 3.34Å; P70-D74 PolarHBondContact O-N 3.22Å; P70-F92 HydrophobicContact CB-CD2 3.95Å; P70-F92 HydrophobicContact CB-CE2 4.05Å
71G92.6Very high95.2Very high40 Ų4034.6 Ų34.641%0.41222%0.217SC..Hα-helixtrans-60.3-38.2-169.700000114.4E69 S75E69-G71 VanDerWaalsContact C-N 3.32Å; E69-G71 PolarHBondContact O-N 2.79Å; G71-S75 PolarHBondContact O-N 3.29Å; G71-S75 VanDerWaalsContact O-N 3.15Å; G71-S75 PolarHBondContact O-OG 2.99Å
72T91.4Very high95Very high11 Ų1134.7 Ų34.77%0.06722%0.218CC..Hα-helixtrans-66.1-42.7174.6-56.50000111.1N14 D67 P70 S75 V76N14-T72 HydrophobicContact CB-CG2 3.51Å; D67-T72 WeakPolarHBondContact OD2-CB 3.32Å; D67-T72 WeakPolarHBondContact OD2-CG2 3.35Å; D67-T72 PolarHBondContact OD2-OG1 2.99Å; P70-T72 VanDerWaalsContact C-N 3.34Å; P70-T72 PolarHBondContact O-N 2.88Å; T72-S75 WeakPolarHBondContact O-CB 3.37Å; T72-S75 PolarHBondContact O-N 2.98Å; T72-V76 WeakPolarHBondContact O-CG2 3.42Å; T72-V76 PolarHBondContact O-N 3.3Å
73M93.7Very high94.8Very high0 Ų041.8 Ų41.80%025%0.252CS..Hα-helixtrans-64.3-43-178.8-60-6296.700111.5N14 L65 D67 P70 S75 V76 R77 F90 F92N14-M73 HydrophobicContact CB-CE 4.2Å; N14-M73 WeakPolarHBondContact ND2-CE 3.47Å; N14-M73 WeakPolarHBondContact OD1-CE 2.94Å; L65-M73 HydrophobicContact CB-CE 4.37Å; L65-M73 HydrophobicContact CB-SD 3.99Å; D67-M73 HydrophobicContact CB-CE 3.71Å; P70-M73 WeakPolarHBondContact O-CB 3.32Å; P70-M73 PolarHBondContact O-N 3.34Å; M73-S75 VanDerWaalsContact C-N 3.29Å; M73-S75 PolarHBondContact O-N 2.83Å; M73-V76 PolarHBondContact O-N 3.38Å; M73-R77 WeakPolarHBondContact O-CB 3.33Å; M73-R77 WeakPolarHBondContact O-CG 3.48Å; M73-R77 PolarHBondContact O-N 3.31Å; M73-F90 HydrophobicContact CB-CD1 4.28Å; M73-F90 HydrophobicContact SD-CD1 3.75Å; M73-F92 HydrophobicContact CB-CD1 4.26Å; M73-F92 HydrophobicContact CG-CB 3.77Å; M73-F92 HydrophobicContact CG-CD1 3.73Å; M73-F92 HydrophobicContact CG-CG 3.83Å
74D94Very high94.7Very high88 Ų8842 Ų4247%0.47125%0.253SS..Hα-helixtrans-62.5-39176-70.2-23.9000111.4P70 R77 A78P70-D74 PolarHBondContact O-N 3.22Å; D74-R77 PolarHBondContact O-N 2.66Å; D74-A78 VanDerWaalsContact O-CB 3.28Å; D74-A78 WeakPolarHBondContact O-CB 3.26Å; D74-A78 PolarHBondContact O-N 3.19Å
75S93.9Very high94.6Very high85 Ų8542.4 Ų42.459%0.59426%0.255SS*.Hα-helixtrans-63.6-42.3175.8-59.30000112.2G71 T72 M73 G79G71-S75 PolarHBondContact O-N 3.29Å; G71-S75 VanDerWaalsContact O-N 3.15Å; G71-S75 PolarHBondContact O-OG 2.99Å; T72-S75 WeakPolarHBondContact O-CB 3.37Å; T72-S75 PolarHBondContact O-N 2.98Å; M73-S75 VanDerWaalsContact C-N 3.29Å; M73-S75 PolarHBondContact O-N 2.83Å; S75-G79 PolarHBondContact O-N 3.48Å; S75-G79 VanDerWaalsContact O-N 3.15Å
76V94.6Very high94.5Very high13 Ų1346.4 Ų46.48%0.07927%0.27CS..Hα-helixtrans-67-44.5176.3175.50000111N14 A18 L65 T72 M73 A78 G79 G82 F85 F90N14-V76 HydrophobicContact CB-CG2 4.23Å; A18-V76 HydrophobicContact CB-CG1 4.45Å; A18-V76 HydrophobicContact CB-CG2 4.43Å; L65-V76 HydrophobicContact CD2-CB 4.46Å; L65-V76 HydrophobicContact CD2-CG1 3.72Å; T72-V76 WeakPolarHBondContact O-CG2 3.42Å; T72-V76 PolarHBondContact O-N 3.3Å; M73-V76 PolarHBondContact O-N 3.38Å; V76-A78 VanDerWaalsContact C-N 3.32Å; V76-A78 PolarHBondContact O-N 2.9Å; V76-G79 WeakPolarHBondContact O-CA 3.25Å; V76-G79 PolarHBondContact O-N 3.3Å; V76-G82 WeakPolarHBondContact O-CA 3.42Å; V76-F85 HydrophobicContact CG1-CD2 4.32Å; V76-F85 HydrophobicContact CG1-CE2 4.09Å; V76-F90 HydrophobicContact CB-CE1 4.47Å; V76-F90 HydrophobicContact CG1-CE1 4.2Å
77R94.6Very high94.3Very high81 Ų8150.9 Ų50.931%0.30630%0.299SS..Hα-helixtrans-62.6-36.4178.2-75.2175.4179.2161.9-4.3113.2M73 D74 F90M73-R77 WeakPolarHBondContact O-CB 3.33Å; M73-R77 WeakPolarHBondContact O-CG 3.48Å; M73-R77 PolarHBondContact O-N 3.31Å; D74-R77 PolarHBondContact O-N 2.66Å; R77-F90 HydrophobicContact CG-CD1 4.32Å; R77-F90 HydrophobicContact CG-CE1 3.72Å; R77-F90 HydrophobicContact CG-CE2 4.49Å; R77-F90 HydrophobicContact CG-CZ 3.82Å
78A94.6Very high94.2Very high89 Ų8957.2 Ų57.274%0.73633%0.333SS*.Hα-helixtrans-76.1-14.3174.800000113D74 V76D74-A78 VanDerWaalsContact O-CB 3.28Å; D74-A78 WeakPolarHBondContact O-CB 3.26Å; D74-A78 PolarHBondContact O-N 3.19Å; V76-A78 VanDerWaalsContact C-N 3.32Å; V76-A78 PolarHBondContact O-N 2.9Å
79G93.3Very high94.3Very high25 Ų2557.5 Ų57.526%0.25834%0.335SS..SBendtrans-68.5162.8177.300000112.9S75 V76 F81 G82S75-G79 PolarHBondContact O-N 3.48Å; S75-G79 VanDerWaalsContact O-N 3.15Å; V76-G79 WeakPolarHBondContact O-CA 3.25Å; V76-G79 PolarHBondContact O-N 3.3Å; G79-F81 PolarHBondContact O-N 2.97Å; G79-F81 VanDerWaalsContact O-N 3.15Å; G79-G82 PolarHBondContact O-N 2.96Å
80P92.8Very high94.5Very high110 Ų11053.6 Ų53.671%0.71432%0.316SS*.THydrogen-bonded Turntrans-55.8-36.8-175.3-25.834.2000114P32P32-P80 VanDerWaalsContact CB-O 3.31Å; P32-P80 WeakPolarHBondContact CB-O 3.11Å
81F94.8Very high94.7Very high31 Ų3152.3 Ų52.314%0.13631%0.308CS..THydrogen-bonded Turntrans-99.110.9179.6-74.7-96.9000113.4E22 P32 G79 Q83 L84E22-F81 HydrophobicContact CB-CD2 3.97Å; E22-F81 HydrophobicContact CB-CE2 3.99Å; E22-F81 HydrophobicContact CG-CD2 4.04Å; E22-F81 HydrophobicContact CG-CE2 3.62Å; E22-F81 HydrophobicContact CG-CZ 4.28Å; P32-F81 HydrophobicContact CB-CD1 4.22Å; P32-F81 HydrophobicContact CB-CE1 4.33Å; P32-F81 HydrophobicContact CB-CG 4.47Å; P32-F81 HydrophobicContact CG-CD1 4.27Å; P32-F81 HydrophobicContact CG-CD2 4.45Å; P32-F81 HydrophobicContact CG-CE1 3.96Å; P32-F81 HydrophobicContact CG-CE2 4.11Å; P32-F81 HydrophobicContact CG-CZ 3.88Å; G79-F81 PolarHBondContact O-N 2.97Å; G79-F81 VanDerWaalsContact O-N 3.15Å; F81-Q83 PolarHBondContact O-N 3.42Å; F81-L84 HydrophobicContact CD1-CD2 3.87Å; F81-L84 WeakPolarHBondContact O-CB 3.35Å; F81-L84 PolarHBondContact O-N 3.22Å
82G93.1Very high94.9Very high3 Ų353.3 Ų53.33%0.03130%0.301CS..G310 helixtrans-60.4-30.4-174.900000114.3V76 G79 L84V76-G82 WeakPolarHBondContact O-CA 3.42Å; G79-G82 PolarHBondContact O-N 2.96Å; G82-L84 VanDerWaalsContact C-N 3.32Å
83Q93.4Very high95Very high158 Ų15853.5 Ų53.574%0.73830%0.304SS*.G310 helixtrans-82.9-6178.8-59-59.1-38.800113.9F81 F85F81-Q83 PolarHBondContact O-N 3.42Å; Q83-F85 VanDerWaalsContact C-N 3.34Å
84L96.1Very high94.9Very high6 Ų660.8 Ų60.83%0.03134%0.339CS..G310 helixtrans-72.9-32.4177.7-176.664.6000111S25 I30 G34 Y51 Y59 P61 F81 G82S25-L84 WeakPolarHBondContact OG-CD2 3.45Å; I30-L84 HydrophobicContact CG2-CD1 4.27Å; G34-L84 VanDerWaalsContact CA-CD1 3.44Å; Y51-L84 HydrophobicContact CE1-CD2 4.38Å; Y59-L84 WeakPolarHBondContact O-CD1 2.74Å; P61-L84 VanDerWaalsContact CD-O 3.29Å; P61-L84 WeakPolarHBondContact CD-O 3.42Å; P61-L84 HydrophobicContact CG-CD2 3.65Å; P61-L84 HydrophobicContact CG-CG 3.64Å; F81-L84 HydrophobicContact CD1-CD2 3.87Å; F81-L84 WeakPolarHBondContact O-CB 3.35Å; F81-L84 PolarHBondContact O-N 3.22Å; G82-L84 VanDerWaalsContact C-N 3.32Å
85F96.7Very high94.6Very high9 Ų959.3 Ų59.34%0.03934%0.335CS..SBendtrans-78.6148.6-177.5-58.5-71000112.6W21 P61 A63 L65 V76 Q83 F90W21-F85 HydrophobicContact CB-CE1 4.23Å; W21-F85 HydrophobicContact CB-CZ 3.8Å; W21-F85 AromaticContact CD1-CE1 3.35Å; W21-F85 AromaticContact CD1-CZ 3.43Å; W21-F85 VanDerWaalsContact CD1-CZ 3.43Å; W21-F85 HydrophobicContact CD2-CE1 4.06Å; W21-F85 AromaticContact CG-CE1 3.65Å; W21-F85 HydrophobicContact CG-CE1 3.65Å; W21-F85 AromaticContact CG-CZ 3.66Å; W21-F85 HydrophobicContact CG-CZ 3.66Å; W21-F85 AromaticContact NE1-CE1 3.61Å; P61-F85 HydrophobicContact CB-CD1 3.94Å; P61-F85 HydrophobicContact CB-CE1 4.02Å; P61-F85 HydrophobicContact CG-CD1 4.03Å; P61-F85 HydrophobicContact CG-CE1 4.03Å; A63-F85 HydrophobicContact CB-CD1 3.78Å; A63-F85 HydrophobicContact CB-CE1 3.81Å; L65-F85 HydrophobicContact CD1-CB 4.23Å; L65-F85 HydrophobicContact CD1-CD1 3.83Å; L65-F85 HydrophobicContact CD1-CE1 4.37Å; L65-F85 HydrophobicContact CD1-CG 3.98Å; V76-F85 HydrophobicContact CG1-CD2 4.32Å; V76-F85 HydrophobicContact CG1-CE2 4.09Å; Q83-F85 VanDerWaalsContact C-N 3.34Å; F85-F90 HydrophobicContact CB-CE2 3.54Å; F85-F90 HydrophobicContact CB-CZ 3.71Å; F85-F90 HydrophobicContact CD2-CZ 4.14Å; F85-F90 HydrophobicContact CG-CE2 4.48Å; F85-F90 HydrophobicContact CG-CZ 4.21Å
86R95.5Very high94.4Very high83 Ų8355.7 Ų55.731%0.31331%0.311SS..  trans-65.3129.1172.2-64.6-173.9178.3-144-3.6109.8N52 V60 D88 N89 F90N52-R86 PolarHBondContact ND2-NH2 2.96Å; V60-R86 HydrophobicContact CG1-CG 3.4Å; R86-D88 PolarHBondContact O-N 3.47Å; R86-N89 HydrophobicContact CB-CB 4.12Å; R86-N89 PolarHBondContact O-N 3.01Å; R86-F90 VanDerWaalsContact O-CD2 3.29Å; R86-F90 WeakPolarHBondContact O-CD2 3.33Å
87P95.1Very high94.1Very high95 Ų9555.2 Ų55.262%0.61731%0.309SS*.G310 helixtrans-55.3-36.9176.8-28.636.2000113.5N89 F90P87-N89 PolarHBondContact O-N 2.88Å; P87-F90 PolarHBondContact O-N 3.03Å
88D95.8Very high93.9Very high135 Ų13554.6 Ų54.672%0.72233%0.327SS*.G310 helixtrans-72.1-12.4-179.5-62.4-19000113.5R86R86-D88 PolarHBondContact O-N 3.47Å
89N97.6Very high93.8Very high8 Ų853.9 Ų53.94%0.04331%0.311CS..G310 helixtrans-92.91.2179.3-65.927.4000112.8A63 L65 R86 P87 V119 E123A63-N89 WeakPolarHBondContact O-CB 3.48Å; A63-N89 PolarHBondContact O-ND2 3.48Å; L65-N89 PolarHBondContact N-O 2.89Å; R86-N89 HydrophobicContact CB-CB 4.12Å; R86-N89 PolarHBondContact O-N 3.01Å; P87-N89 PolarHBondContact O-N 2.88Å; N89-V119 HydrophobicContact CB-CG1 4.19Å; N89-E123 VanDerWaalsContact ND2-CD 3.32Å; N89-E123 PolarHBondContact ND2-OE1 2.62Å
90F97.7Very high94Very high15 Ų1553.2 Ų53.27%0.06630%0.302CS..EExtended strand (participates in β ladder)trans-89.4108.7167.8-67.6-100.1000108.6L65 M73 V76 R77 F85 R86 P87 F92L65-F90 HydrophobicContact CB-CD1 4.08Å; L65-F90 HydrophobicContact CB-CE1 4.38Å; L65-F90 HydrophobicContact CD1-CE1 4.4Å; L65-F90 HydrophobicContact CD1-CZ 4.36Å; L65-F90 HydrophobicContact CD2-CD1 4.34Å; L65-F90 HydrophobicContact CD2-CE1 3.81Å; L65-F90 HydrophobicContact CD2-CZ 4.28Å; L65-F90 HydrophobicContact CG-CE1 4.44Å; M73-F90 HydrophobicContact CB-CD1 4.28Å; M73-F90 HydrophobicContact SD-CD1 3.75Å; V76-F90 HydrophobicContact CB-CE1 4.47Å; V76-F90 HydrophobicContact CG1-CE1 4.2Å; R77-F90 HydrophobicContact CG-CD1 4.32Å; R77-F90 HydrophobicContact CG-CE1 3.72Å; R77-F90 HydrophobicContact CG-CE2 4.49Å; R77-F90 HydrophobicContact CG-CZ 3.82Å; F85-F90 HydrophobicContact CB-CE2 3.54Å; F85-F90 HydrophobicContact CB-CZ 3.71Å; F85-F90 HydrophobicContact CD2-CZ 4.14Å; F85-F90 HydrophobicContact CG-CE2 4.48Å; F85-F90 HydrophobicContact CG-CZ 4.21Å; R86-F90 VanDerWaalsContact O-CD2 3.29Å; R86-F90 WeakPolarHBondContact O-CD2 3.33Å; P87-F90 PolarHBondContact O-N 3.03Å; F90-F92 HydrophobicContact CB-CD1 4.4Å; F90-F92 HydrophobicContact CB-CE1 4.46Å
91V97.8Very high94.2Very high14 Ų1448.1 Ų48.19%0.08527%0.268CS..EExtended strand (participates in β ladder)trans-115.4118.1178.4-174.60000108.1L65 V66 D67 L112 V116 V119L65-V91 PolarHBondContact O-N 3.19Å; V66-V91 WeakPolarHBondContact CA-O 3.37Å; D67-V91 PolarHBondContact N-O 3.08Å; V91-L112 HydrophobicContact CG1-CD1 3.81Å; V91-L112 HydrophobicContact CG1-CD2 4.34Å; V91-L112 HydrophobicContact CG1-CG 4.01Å; V91-V116 HydrophobicContact CB-CG2 3.99Å; V91-V116 HydrophobicContact CG1-CG2 3.58Å; V91-V119 HydrophobicContact CG2-CB 4.4Å; V91-V119 HydrophobicContact CG2-CG2 3.67Å
92F96.6Very high94.4Very high61 Ų6146.6 Ų46.627%0.26826%0.262SS..EExtended strand (participates in β ladder)trans-144.9147.9-17758.2-84.6000115.1D67 P70 M73 F90D67-F92 CarbonylContact O-C 3.49Å; D67-F92 WeakPolarHBondContact O-CA 3.5Å; D67-F92 VanDerWaalsContact O-CB 3.26Å; D67-F92 WeakPolarHBondContact O-CB 3.29Å; P70-F92 HydrophobicContact CB-CD2 3.95Å; P70-F92 HydrophobicContact CB-CE2 4.05Å; M73-F92 HydrophobicContact CB-CD1 4.26Å; M73-F92 HydrophobicContact CG-CB 3.77Å; M73-F92 HydrophobicContact CG-CD1 3.73Å; M73-F92 HydrophobicContact CG-CG 3.83Å; F90-F92 HydrophobicContact CB-CD1 4.4Å; F90-F92 HydrophobicContact CB-CE1 4.46Å
93G93.9Very high94.6Very high14 Ų1448.5 Ų48.514%0.14427%0.269CS..  trans-82-176.817500000113.3D67 L68D67-G93 PolarHBondContact O-N 2.85Å; L68-G93 CarbonylContact O-C 3.56Å; L68-G93 WeakPolarHBondContact O-CA 3.46Å
94Q91.3Very high94.7Very high154 Ų15441 Ų4172%0.7223%0.234SC*.SBendtrans-106.7-15.9173.9-63-60.4-49.600112.9L68L68-Q94 PolarHBondContact O-N 2.86Å
95S87.9Confident94.8Very high56 Ų5641.8 Ų41.839%0.39224%0.237SC..SBendtrans-132.2123.5-171-65.50000109.7L68 E108L68-S95 WeakPolarHBondContact CB-O 3.39Å; L68-S95 CarbonylContact O-C 3.13Å; L68-S95 VanDerWaalsContact O-C 3.31Å; L68-S95 PolarHBondContact O-N 2.77Å; L68-S95 VanDerWaalsContact O-O 3.09Å; S95-E108 VanDerWaalsContact CB-CD 3.48Å; S95-E108 WeakPolarHBondContact CB-OE1 3.48Å; S95-E108 WeakPolarHBondContact CB-OE2 3.38Å
96G88.5Confident94.9Very high10 Ų1045.5 Ų45.510%0.10325%0.252CS..  trans-71.1160.9179.800000114.3G98 K103G96-G98 PolarHBondContact O-N 3.41Å; G96-K103 PolarHBondContact O-NZ 2.86Å
97A89.6Confident94.9Very high3 Ų343.4 Ų43.43%0.02525%0.248CC..  trans-73.3-6.917300000114L68 N99 N100 K103L68-A97 HydrophobicContact CD1-CB 3.67Å; A97-N99 VanDerWaalsContact C-N 3.25Å; A97-N99 PolarHBondContact O-N 3.24Å; A97-N100 WeakPolarHBondContact O-CB 3.4Å; A97-N100 PolarHBondContact O-N 3.18Å; A97-K103 HydrophobicContact CB-CB 4.44Å
98G90.5Very high95Very high67 Ų6740.7 Ų40.769%0.69123%0.227SC*.THydrogen-bonded Turntrans56.236.9177.100000114.1G96 N100G96-G98 PolarHBondContact O-N 3.41Å; G98-N100 PolarHBondContact O-N 2.92Å
99N92.4Very high95Very high75 Ų7534.3 Ų34.340%0.40119%0.193SC..THydrogen-bonded Turntrans59.521.8-173.8-63.6-30.5000115.8A97 T178 V180 N184A97-N99 VanDerWaalsContact C-N 3.25Å; A97-N99 PolarHBondContact O-N 3.24Å; N99-T178 HydrophobicContact CB-CG2 3.62Å; N99-T178 PolarHBondContact ND2-OG1 3.01Å; N99-V180 WeakPolarHBondContact O-CG2 3.29Å; N99-N184 PolarHBondContact O-ND2 2.84Å
100N96.3Very high94.9Very high10 Ų1036 Ų365%0.05321%0.208CC..  trans-109.2119.9179.4-176.3-19.3000110.8A97 G98 A102 K103 G104 W397 Y398A97-N100 WeakPolarHBondContact O-CB 3.4Å; A97-N100 PolarHBondContact O-N 3.18Å; G98-N100 PolarHBondContact O-N 2.92Å; N100-A102 PolarHBondContact O-N 3.07Å; N100-A102 WeakPolarHBondContact OD1-CB 3.32Å; N100-A102 PolarHBondContact OD1-N 3.13Å; N100-K103 HydrophobicContact CB-CB 3.93Å; N100-K103 PolarHBondContact O-N 3.41Å; N100-K103 PolarHBondContact OD1-N 3.2Å; N100-G104 PolarHBondContact O-N 3.25Å; N100-G104 VanDerWaalsContact O-N 3.08Å; N100-W397 PolarHBondContact ND2-O 3.01Å; N100-Y398 WeakPolarHBondContact OD1-CD1 3.49Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.5Å
101W97.9Very high94.8Very high3 Ų342.7 Ų42.71%0.01124%0.239CC..Hα-helixtrans-58.7-44.2176.6-179.7103.1000112.1K103 G104 H105 Y106 S145 G146 T149 N184 L187 S188 Q191 Y398 M403W101-K103 VanDerWaalsContact C-N 3.3Å; W101-K103 PolarHBondContact O-N 3.06Å; W101-G104 CarbonylContact O-C 3.51Å; W101-G104 WeakPolarHBondContact O-CA 3.39Å; W101-G104 PolarHBondContact O-N 2.89Å; W101-H105 HydrophobicContact CD2-CB 4.24Å; W101-H105 HydrophobicContact CE3-CB 4.03Å; W101-H105 HydrophobicContact CH2-CB 3.89Å; W101-H105 AromaticContact CH2-CD2 3.74Å; W101-H105 AromaticContact CH2-CE1 3.96Å; W101-H105 AromaticContact CH2-CG 3.48Å; W101-H105 VanDerWaalsContact CH2-CG 3.48Å; W101-H105 AromaticContact CH2-ND1 3.64Å; W101-H105 HydrophobicContact CZ2-CB 4.11Å; W101-H105 AromaticContact CZ2-CE1 3.93Å; W101-H105 AromaticContact CZ2-CG 3.72Å; W101-H105 AromaticContact CZ2-ND1 3.45Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.49Å; W101-H105 HydrophobicContact CZ3-CB 3.86Å; W101-H105 AromaticContact CZ3-CG 3.93Å; W101-H105 WeakPolarHBondContact O-CB 3.43Å; W101-H105 PolarHBondContact O-N 3.31Å; W101-Y106 HydrophobicContact CH2-CE2 4.36Å; W101-Y106 HydrophobicContact CZ3-CD2 4.36Å; W101-Y106 AromaticContact CZ3-CE2 3.77Å; W101-Y106 HydrophobicContact CZ3-CE2 3.77Å; W101-S145 PolarHBondContact NE1-O 2.99Å; W101-G146 VanDerWaalsContact CD1-CA 3.41Å; W101-G146 VanDerWaalsContact CD1-N 3.27Å; W101-G146 WeakPolarHBondContact O-CA 3.42Å; W101-T149 PolarHBondContact NE1-OG1 2.7Å; W101-N184 HydrophobicContact CB-CB 4.19Å; W101-N184 WeakPolarHBondContact CB-OD1 3.18Å; W101-N184 PolarHBondContact N-OD1 3.23Å; W101-L187 HydrophobicContact CB-CD1 4.31Å; W101-L187 HydrophobicContact CD2-CB 3.79Å; W101-L187 HydrophobicContact CD2-CD1 3.86Å; W101-L187 HydrophobicContact CD2-CG 4.43Å; W101-L187 HydrophobicContact CE3-CB 4.22Å; W101-L187 HydrophobicContact CE3-CD1 3.64Å; W101-L187 HydrophobicContact CE3-CG 4.44Å; W101-L187 HydrophobicContact CG-CB 4.05Å; W101-L187 HydrophobicContact CG-CD1 4.14Å; W101-L187 HydrophobicContact CZ2-CB 4.23Å; W101-L187 HydrophobicContact CZ3-CD1 4.28Å; W101-S188 PolarHBondContact NE1-OG 3.22Å; W101-Q191 HydrophobicContact CZ2-CG 4.18Å; W101-Y398 HydrophobicContact CB-CE1 4.01Å; W101-M403 HydrophobicContact CE3-SD 4.15Å; W101-M403 HydrophobicContact CZ3-CE 4.35Å; W101-M403 HydrophobicContact CZ3-SD 4.03Å
102A98.1Very high94.8Very high0 Ų043 Ų430%024%0.24CC..Hα-helixtrans-64-37.3-178.700000111.5N100 G104 H105 Y106 Y398 E401 M403N100-A102 PolarHBondContact O-N 3.07Å; N100-A102 WeakPolarHBondContact OD1-CB 3.32Å; N100-A102 PolarHBondContact OD1-N 3.13Å; A102-G104 VanDerWaalsContact C-N 3.34Å; A102-H105 PolarHBondContact O-N 3.39Å; A102-Y106 HydrophobicContact CB-CD2 4.22Å; A102-Y106 WeakPolarHBondContact O-CB 2.85Å; A102-Y106 PolarHBondContact O-N 3.31Å; A102-Y398 HydrophobicContact CB-CD1 3.75Å; A102-Y398 HydrophobicContact CB-CG 4.2Å; A102-E401 HydrophobicContact CB-CB 3.95Å; A102-E401 HydrophobicContact CB-CG 4.37Å; A102-M403 HydrophobicContact CB-CB 4.06Å; A102-M403 HydrophobicContact CB-SD 4Å
103K97.3Very high94.8Very high43 Ų4340.5 Ų40.519%0.18723%0.23CC..Iπ-helixtrans-64.7-41.1173.6-165.6171.4-167-136.20111.8G96 A97 N100 W101 H105 T107 E108 E401G96-K103 PolarHBondContact O-NZ 2.86Å; A97-K103 HydrophobicContact CB-CB 4.44Å; N100-K103 HydrophobicContact CB-CB 3.93Å; N100-K103 PolarHBondContact O-N 3.41Å; N100-K103 PolarHBondContact OD1-N 3.2Å; W101-K103 VanDerWaalsContact C-N 3.3Å; W101-K103 PolarHBondContact O-N 3.06Å; K103-H105 VanDerWaalsContact C-N 3.26Å; K103-H105 PolarHBondContact O-N 3.45Å; K103-T107 VanDerWaalsContact CA-OG1 3.31Å; K103-T107 WeakPolarHBondContact CA-OG1 3.33Å; K103-T107 VanDerWaalsContact CG-OG1 3.26Å; K103-T107 WeakPolarHBondContact CG-OG1 3.44Å; K103-T107 PolarHBondContact O-N 3.1Å; K103-T107 PolarHBondContact O-OG1 3.17Å; K103-E108 HydrophobicContact CD-CG 4.18Å; K103-E108 VanDerWaalsContact CE-CG 3.47Å; K103-E108 WeakPolarHBondContact CE-OE1 3.44Å; K103-E108 HydrophobicContact CG-CG 3.83Å; K103-E108 IonicContact NZ-OE1 2.71Å; K103-E108 PolarHBondContact NZ-OE1 3.4Å; K103-E108 PolarHBondContact O-N 3.08Å; K103-E401 HydrophobicContact CB-CG 4.06Å
104G97.3Very high95Very high0 Ų045 Ų450%025%0.251CS..Iπ-helixtrans-68.5-20.117400000114.2N100 W101 A102 G109 G146 M147N100-G104 PolarHBondContact O-N 3.25Å; N100-G104 VanDerWaalsContact O-N 3.08Å; W101-G104 CarbonylContact O-C 3.51Å; W101-G104 WeakPolarHBondContact O-CA 3.39Å; W101-G104 PolarHBondContact O-N 2.89Å; A102-G104 VanDerWaalsContact C-N 3.34Å; G104-G109 VanDerWaalsContact O-CA 3.24Å; G104-G109 WeakPolarHBondContact O-CA 3.27Å; G104-G146 CarbonylContact O-C 3.31Å; G104-M147 WeakPolarHBondContact O-CA 3.25Å; G104-M147 VanDerWaalsContact O-CB 3.3Å; G104-M147 WeakPolarHBondContact O-CB 3.18Å; G104-M147 PolarHBondContact O-N 3.14Å
105H98.2Very high95.4Very high22 Ų2240.6 Ų40.610%0.10224%0.237CC..Iπ-helixtrans-105.5-48.4-174.3-16690.7000112.9W101 A102 K103 G146 L150W101-H105 HydrophobicContact CD2-CB 4.24Å; W101-H105 HydrophobicContact CE3-CB 4.03Å; W101-H105 HydrophobicContact CH2-CB 3.89Å; W101-H105 AromaticContact CH2-CD2 3.74Å; W101-H105 AromaticContact CH2-CE1 3.96Å; W101-H105 AromaticContact CH2-CG 3.48Å; W101-H105 VanDerWaalsContact CH2-CG 3.48Å; W101-H105 AromaticContact CH2-ND1 3.64Å; W101-H105 HydrophobicContact CZ2-CB 4.11Å; W101-H105 AromaticContact CZ2-CE1 3.93Å; W101-H105 AromaticContact CZ2-CG 3.72Å; W101-H105 AromaticContact CZ2-ND1 3.45Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.49Å; W101-H105 HydrophobicContact CZ3-CB 3.86Å; W101-H105 AromaticContact CZ3-CG 3.93Å; W101-H105 WeakPolarHBondContact O-CB 3.43Å; W101-H105 PolarHBondContact O-N 3.31Å; A102-H105 PolarHBondContact O-N 3.39Å; K103-H105 VanDerWaalsContact C-N 3.26Å; K103-H105 PolarHBondContact O-N 3.45Å; H105-G146 PolarHBondContact ND1-O 3.22Å; H105-L150 WeakPolarHBondContact O-CD2 3.42Å
106Y97.5Very high95.8Very high88 Ų8838 Ų3835%0.34522%0.219SC..Iπ-helixtrans-98.1-20.2-171.4-69.8-62.1000114.7W101 A102 M403 E407W101-Y106 HydrophobicContact CH2-CE2 4.36Å; W101-Y106 HydrophobicContact CZ3-CD2 4.36Å; W101-Y106 AromaticContact CZ3-CE2 3.77Å; W101-Y106 HydrophobicContact CZ3-CE2 3.77Å; A102-Y106 HydrophobicContact CB-CD2 4.22Å; A102-Y106 WeakPolarHBondContact O-CB 2.85Å; A102-Y106 PolarHBondContact O-N 3.31Å; Y106-M403 HydrophobicContact CD2-CB 3.91Å; Y106-M403 HydrophobicContact CD2-CG 4.41Å; Y106-M403 HydrophobicContact CE2-CB 3.73Å; Y106-M403 HydrophobicContact CE2-CG 3.78Å; Y106-M403 HydrophobicContact CE2-SD 4.48Å; Y106-E407 PolarHBondContact OH-OE1 2.89Å; Y106-E407 PolarHBondContact OH-OE2 3.26Å
107T96.3Very high96.3Very high39 Ų3937.7 Ų37.724%0.23922%0.215CC..Iπ-helixtrans-119.4-92.8-176.459.90000111.9K103 G109 A110 E111 E401K103-T107 VanDerWaalsContact CA-OG1 3.31Å; K103-T107 WeakPolarHBondContact CA-OG1 3.33Å; K103-T107 VanDerWaalsContact CG-OG1 3.26Å; K103-T107 WeakPolarHBondContact CG-OG1 3.44Å; K103-T107 PolarHBondContact O-N 3.1Å; K103-T107 PolarHBondContact O-OG1 3.17Å; T107-G109 VanDerWaalsContact C-N 3.29Å; T107-G109 PolarHBondContact O-N 3.31Å; T107-A110 PolarHBondContact O-N 3.46Å; T107-A110 VanDerWaalsContact O-N 3.1Å; T107-E111 PolarHBondContact O-N 2.95Å; T107-E401 WeakPolarHBondContact CB-OE2 3.38Å; T107-E401 HydrophobicContact CG2-CB 4.16Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.2Å; T107-E401 PolarHBondContact OG1-OE2 2.87Å
108E96Very high96.7Very high38 Ų3841.3 Ų41.318%0.17823%0.234CC..Hα-helixtrans-60.9-38.3-172.3-54.4-76.3-176.600112.1L68 S95 K103 L112L68-E108 HydrophobicContact CD1-CB 3.95Å; L68-E108 HydrophobicContact CD2-CB 3.98Å; L68-E108 HydrophobicContact CG-CB 4.45Å; S95-E108 VanDerWaalsContact CB-CD 3.48Å; S95-E108 WeakPolarHBondContact CB-OE1 3.48Å; S95-E108 WeakPolarHBondContact CB-OE2 3.38Å; K103-E108 HydrophobicContact CD-CG 4.18Å; K103-E108 VanDerWaalsContact CE-CG 3.47Å; K103-E108 WeakPolarHBondContact CE-OE1 3.44Å; K103-E108 HydrophobicContact CG-CG 3.83Å; K103-E108 IonicContact NZ-OE1 2.71Å; K103-E108 PolarHBondContact NZ-OE1 3.4Å; K103-E108 PolarHBondContact O-N 3.08Å; E108-L112 PolarHBondContact O-N 3.27Å
109G96.2Very high97.1Very high0 Ų038.6 Ų38.60%020%0.204CC..Hα-helixtrans-72.5-38.3176.100000113.4G104 T107 E111 L112 V113 M147G104-G109 VanDerWaalsContact O-CA 3.24Å; G104-G109 WeakPolarHBondContact O-CA 3.27Å; T107-G109 VanDerWaalsContact C-N 3.29Å; T107-G109 PolarHBondContact O-N 3.31Å; G109-E111 PolarHBondContact O-N 2.94Å; G109-L112 PolarHBondContact O-N 3.16Å; G109-L112 VanDerWaalsContact O-N 3.1Å; G109-V113 WeakPolarHBondContact O-CB 3.44Å; G109-V113 PolarHBondContact O-N 2.73Å; G109-M147 WeakPolarHBondContact CA-SD 3.31Å; G109-M147 VanDerWaalsContact O-SD 3.4Å
110A96.2Very high97.4Very high43 Ų4335 Ų3536%0.35519%0.185SC..Hα-helixtrans-62.1-33.717500000112T107 V113T107-A110 PolarHBondContact O-N 3.46Å; T107-A110 VanDerWaalsContact O-N 3.1Å; A110-V113 WeakPolarHBondContact O-CG1 3.36Å
111E96Very high97.5Very high156 Ų15638 Ų3873%0.72920%0.196SC*.Hα-helixtrans-70.6-31.5174.4-68.9-173.7-179.900112.9T107 G109T107-E111 PolarHBondContact O-N 2.95Å; G109-E111 PolarHBondContact O-N 2.94Å
112L96.8Very high97.5Very high20 Ų2044.3 Ų44.311%0.10522%0.223CC..Hα-helixtrans-92.5-22-175.6-165.465.2000113.7V66 L68 V91 E108 G109 D114 S115 V116 M147V66-L112 HydrophobicContact CG1-CD2 4.36Å; L68-L112 HydrophobicContact CD2-CB 4.31Å; L68-L112 HydrophobicContact CD2-CD2 3.84Å; V91-L112 HydrophobicContact CG1-CD1 3.81Å; V91-L112 HydrophobicContact CG1-CD2 4.34Å; V91-L112 HydrophobicContact CG1-CG 4.01Å; E108-L112 PolarHBondContact O-N 3.27Å; G109-L112 PolarHBondContact O-N 3.16Å; G109-L112 VanDerWaalsContact O-N 3.1Å; L112-D114 PolarHBondContact O-N 3.35Å; L112-S115 WeakPolarHBondContact O-CB 3.37Å; L112-S115 PolarHBondContact O-N 2.88Å; L112-S115 VanDerWaalsContact O-N 3.1Å; L112-V116 HydrophobicContact CG-CG2 4.25Å; L112-V116 PolarHBondContact O-N 2.71Å; L112-M147 HydrophobicContact CB-CE 4.36Å
113V97.8Very high97.5Very high9 Ų944.5 Ų44.56%0.05522%0.224CC..Hα-helixtrans-56.7-43.7-167.772.10000113.8G109 A110 S115 V116 L117 M147 L150 L151 K154G109-V113 WeakPolarHBondContact O-CB 3.44Å; G109-V113 PolarHBondContact O-N 2.73Å; A110-V113 WeakPolarHBondContact O-CG1 3.36Å; V113-S115 VanDerWaalsContact C-N 3.28Å; V113-S115 PolarHBondContact O-N 3.46Å; V113-V116 WeakPolarHBondContact O-CB 3.31Å; V113-V116 PolarHBondContact O-N 2.96Å; V113-V116 VanDerWaalsContact O-N 3.08Å; V113-L117 HydrophobicContact CG2-CD1 4.12Å; V113-L117 HydrophobicContact CG2-CG 4.3Å; V113-L117 WeakPolarHBondContact O-CG 3.49Å; V113-L117 PolarHBondContact O-N 3.39Å; V113-M147 HydrophobicContact CB-CE 4.01Å; V113-M147 HydrophobicContact CB-SD 4.43Å; V113-M147 HydrophobicContact CG2-CE 4.27Å; V113-L150 HydrophobicContact CB-CD2 3.95Å; V113-L150 HydrophobicContact CG1-CD2 4.33Å; V113-L150 HydrophobicContact CG2-CD2 4Å; V113-L150 HydrophobicContact CG2-CG 4.04Å; V113-L151 HydrophobicContact CG2-CD2 3.87Å; V113-K154 HydrophobicContact CG2-CG 4.19Å
114D97.9Very high97.5Very high109 Ų10943 Ų4358%0.58322%0.219SC*.Hα-helixtrans-62.5-38.1-179.2-70.2-23.4000111.7L112 V116 L117 D118L112-D114 PolarHBondContact O-N 3.35Å; D114-V116 VanDerWaalsContact C-N 3.31Å; D114-V116 PolarHBondContact O-N 3.37Å; D114-L117 PolarHBondContact O-N 2.87Å; D114-D118 PolarHBondContact O-N 3.49Å
115S97.9Very high97.5Very high62 Ų6249.8 Ų49.843%0.43425%0.251SS..Hα-helixtrans-66.1-36.2176.9-62.90000111.7L112 V113L112-S115 WeakPolarHBondContact O-CB 3.37Å; L112-S115 PolarHBondContact O-N 2.88Å; L112-S115 VanDerWaalsContact O-N 3.1Å; V113-S115 VanDerWaalsContact C-N 3.28Å; V113-S115 PolarHBondContact O-N 3.46Å
116V98.3Very high97.3Very high0 Ų050.6 Ų50.60%026%0.259CS..Hα-helixtrans-70-45.2175.1-178.30000110.4I64 V66 V91 L112 V113 D114 D118 V119 V120 M147 L151I64-V116 HydrophobicContact CG2-CG1 4.3Å; V66-V116 HydrophobicContact CG1-CG2 3.78Å; V66-V116 HydrophobicContact CG2-CG1 3.65Å; V66-V116 HydrophobicContact CG2-CG2 3.98Å; V91-V116 HydrophobicContact CB-CG2 3.99Å; V91-V116 HydrophobicContact CG1-CG2 3.58Å; L112-V116 HydrophobicContact CG-CG2 4.25Å; L112-V116 PolarHBondContact O-N 2.71Å; V113-V116 WeakPolarHBondContact O-CB 3.31Å; V113-V116 PolarHBondContact O-N 2.96Å; V113-V116 VanDerWaalsContact O-N 3.08Å; D114-V116 VanDerWaalsContact C-N 3.31Å; D114-V116 PolarHBondContact O-N 3.37Å; V116-D118 VanDerWaalsContact C-N 3.26Å; V116-D118 PolarHBondContact O-N 3.41Å; V116-V119 WeakPolarHBondContact O-CA 3.48Å; V116-V119 WeakPolarHBondContact O-CB 3.26Å; V116-V119 PolarHBondContact O-N 2.81Å; V116-V120 HydrophobicContact CG1-CG2 4.24Å; V116-V120 WeakPolarHBondContact O-CG2 3.47Å; V116-V120 PolarHBondContact O-N 2.97Å; V116-M147 HydrophobicContact CB-CE 4.42Å; V116-M147 HydrophobicContact CG2-CE 3.78Å; V116-L151 HydrophobicContact CB-CD2 3.79Å; V116-L151 HydrophobicContact CG1-CD1 4.04Å; V116-L151 HydrophobicContact CG1-CD2 3.49Å; V116-L151 VanDerWaalsContact CG1-CD2 3.49Å; V116-L151 HydrophobicContact CG1-CG 4.44Å; V116-L151 HydrophobicContact CG2-CD2 4.48Å
117L98.5Very high97.3Very high5 Ų547.1 Ų47.13%0.02625%0.247CC..Hα-helixtrans-60.5-35.4179.1-70.4173000112.1V113 D114 V119 V120 R121 K154 I155V113-L117 HydrophobicContact CG2-CD1 4.12Å; V113-L117 HydrophobicContact CG2-CG 4.3Å; V113-L117 WeakPolarHBondContact O-CG 3.49Å; V113-L117 PolarHBondContact O-N 3.39Å; D114-L117 PolarHBondContact O-N 2.87Å; L117-V119 VanDerWaalsContact C-N 3.31Å; L117-V119 PolarHBondContact O-N 2.78Å; L117-V120 PolarHBondContact O-N 2.86Å; L117-R121 WeakPolarHBondContact O-CB 3.36Å; L117-R121 PolarHBondContact O-N 3.01Å; L117-K154 HydrophobicContact CD1-CB 3.87Å; L117-K154 HydrophobicContact CD1-CD 4.43Å; L117-K154 HydrophobicContact CD1-CG 4.32Å; L117-K154 HydrophobicContact CD2-CB 3.96Å; L117-K154 HydrophobicContact CG-CB 4.46Å; L117-I155 HydrophobicContact CD2-CG1 3.91Å
118D98.4Very high97.2Very high78 Ų7851.8 Ų51.842%0.41727%0.271SS..Hα-helixtrans-61.8-37.5172.8-81.2-10000112.9D114 V116 R121 K122D114-D118 PolarHBondContact O-N 3.49Å; V116-D118 VanDerWaalsContact C-N 3.26Å; V116-D118 PolarHBondContact O-N 3.41Å; D118-R121 IonicContact OD1-CZ 3.82Å; D118-R121 IonicContact OD1-NH1 2.66Å; D118-R121 PolarHBondContact OD1-NH1 3.13Å; D118-K122 VanDerWaalsContact O-CG 3.28Å; D118-K122 WeakPolarHBondContact O-CG 3.39Å; D118-K122 PolarHBondContact O-N 3.08Å
119V98.4Very high97.1Very high10 Ų1053.3 Ų53.36%0.06129%0.285CS..Hα-helixtrans-72.8-41.3174.2-179.10000110.7I64 N89 V91 V116 L117 R121 K122 E123I64-V119 HydrophobicContact CD1-CB 4.48Å; I64-V119 HydrophobicContact CD1-CG1 3.94Å; I64-V119 HydrophobicContact CG1-CG1 3.86Å; I64-V119 HydrophobicContact CG2-CB 4.42Å; I64-V119 HydrophobicContact CG2-CG1 4Å; N89-V119 HydrophobicContact CB-CG1 4.19Å; V91-V119 HydrophobicContact CG2-CB 4.4Å; V91-V119 HydrophobicContact CG2-CG2 3.67Å; V116-V119 WeakPolarHBondContact O-CA 3.48Å; V116-V119 WeakPolarHBondContact O-CB 3.26Å; V116-V119 PolarHBondContact O-N 2.81Å; L117-V119 VanDerWaalsContact C-N 3.31Å; L117-V119 PolarHBondContact O-N 2.78Å; V119-R121 VanDerWaalsContact C-N 3.29Å; V119-R121 PolarHBondContact O-N 3.04Å; V119-K122 PolarHBondContact O-N 3.07Å; V119-E123 PolarHBondContact O-N 2.79Å
120V98.6Very high97.1Very high1 Ų154 Ų541%0.00629%0.289CS..Hα-helixtrans-55.6-46.7174.6174.30000110.5I7 I64 V116 L117 E123 A124 F133 I155 Y159I7-V120 HydrophobicContact CD1-CG2 4.01Å; I64-V120 VanDerWaalsContact CD1-CA 3.45Å; I64-V120 HydrophobicContact CD1-CB 4.07Å; I64-V120 HydrophobicContact CD1-CG2 3.54Å; V116-V120 HydrophobicContact CG1-CG2 4.24Å; V116-V120 WeakPolarHBondContact O-CG2 3.47Å; V116-V120 PolarHBondContact O-N 2.97Å; L117-V120 PolarHBondContact O-N 2.86Å; V120-E123 PolarHBondContact O-N 2.84Å; V120-A124 VanDerWaalsContact O-CB 3.23Å; V120-A124 WeakPolarHBondContact O-CB 3.18Å; V120-A124 PolarHBondContact O-N 3Å; V120-F133 HydrophobicContact CG1-CD1 4.2Å; V120-F133 HydrophobicContact CG1-CE1 3.5Å; V120-F133 VanDerWaalsContact CG1-CE1 3.5Å; V120-F133 HydrophobicContact CG1-CZ 4.09Å; V120-I155 HydrophobicContact CG1-CD1 4.24Å; V120-I155 HydrophobicContact CG1-CG1 4.22Å; V120-I155 HydrophobicContact CG2-CD1 4.18Å; V120-Y159 HydrophobicContact CG1-CE2 4.41Å
121R98.4Very high97.1Very high73 Ų7352.8 Ų52.828%0.27528%0.276SS..Hα-helixtrans-62.1-45.3178.7-164.6173.8-52.7106.73.5111.9L117 D118 V119 E123 A124 E125 E158L117-R121 WeakPolarHBondContact O-CB 3.36Å; L117-R121 PolarHBondContact O-N 3.01Å; D118-R121 IonicContact OD1-CZ 3.82Å; D118-R121 IonicContact OD1-NH1 2.66Å; D118-R121 PolarHBondContact OD1-NH1 3.13Å; V119-R121 VanDerWaalsContact C-N 3.29Å; V119-R121 PolarHBondContact O-N 3.04Å; R121-E123 PolarHBondContact O-N 3.14Å; R121-A124 PolarHBondContact O-N 2.93Å; R121-E125 HydrophobicContact CG-CG 4.42Å; R121-E125 WeakPolarHBondContact O-CB 3.43Å; R121-E125 VanDerWaalsContact O-CG 3.24Å; R121-E125 WeakPolarHBondContact O-CG 3.48Å; R121-E125 PolarHBondContact O-N 3.12Å; R121-E158 IonicContact CZ-OE1 2.77Å; R121-E158 IonicContact CZ-OE2 3.94Å; R121-E158 IonicContact NE-OE2 3.91Å; R121-E158 PolarHBondContact NE-OE2 2.82Å; R121-E158 IonicContact NH2-OE1 2.79Å; R121-E158 PolarHBondContact NH2-OE1 2.87Å; R121-E158 IonicContact NH2-OE2 2.81Å; R121-E158 PolarHBondContact NH2-OE2 3.44Å
122K97.9Very high97.1Very high134 Ų13445.4 Ų45.458%0.58324%0.241SC*.Hα-helixtrans-60-44.6175.7-72.3167.9-173.2169.10112.5D118 V119 S126D118-K122 VanDerWaalsContact O-CG 3.28Å; D118-K122 WeakPolarHBondContact O-CG 3.39Å; D118-K122 PolarHBondContact O-N 3.08Å; V119-K122 PolarHBondContact O-N 3.07Å; K122-S126 WeakPolarHBondContact O-CB 3.13Å; K122-S126 PolarHBondContact O-N 2.78Å; K122-S126 VanDerWaalsContact O-N 3.12Å
123E97.8Very high97.2Very high5 Ų544.5 Ų44.52%0.02324%0.236CC..Hα-helixtrans-68.5-40.7178.5-72.6-62.1145.300111.6V5 I64 N89 V119 V120 R121 S126 C127V5-E123 HydrophobicContact CG1-CB 4.03Å; V5-E123 HydrophobicContact CG2-CB 3.94Å; I64-E123 HydrophobicContact CD1-CB 4.35Å; I64-E123 HydrophobicContact CD1-CG 4.17Å; I64-E123 HydrophobicContact CG1-CG 4.17Å; N89-E123 VanDerWaalsContact ND2-CD 3.32Å; N89-E123 PolarHBondContact ND2-OE1 2.62Å; V119-E123 PolarHBondContact O-N 2.79Å; V120-E123 PolarHBondContact O-N 2.84Å; R121-E123 PolarHBondContact O-N 3.14Å; E123-S126 PolarHBondContact O-N 2.67Å; E123-S126 PolarHBondContact O-OG 3.13Å; E123-C127 PolarHBondContact O-SG 3.06Å
124A97.3Very high97.2Very high10 Ų1044 Ų448%0.08323%0.234CC..Hα-helixtrans-62.7-4617600000112.4V120 R121 S126 C127 L130 F133 Y159V120-A124 VanDerWaalsContact O-CB 3.23Å; V120-A124 WeakPolarHBondContact O-CB 3.18Å; V120-A124 PolarHBondContact O-N 3Å; R121-A124 PolarHBondContact O-N 2.93Å; A124-S126 PolarHBondContact O-N 3.18Å; A124-C127 VanDerWaalsContact O-CB 3.3Å; A124-C127 WeakPolarHBondContact O-CB 3.23Å; A124-C127 PolarHBondContact O-N 2.85Å; A124-C127 VanDerWaalsContact O-N 3.11Å; A124-L130 HydrophobicContact CB-CD2 3.88Å; A124-F133 HydrophobicContact CB-CZ 4.43Å; A124-Y159 HydrophobicContact CB-CE1 4.04Å
125E96.6Very high97.3Very high143 Ų14339 Ų3967%0.66821%0.206SC*.Hα-helixtrans-65.9-24.7176.2-72.9174.1175.300112.6R121 C127R121-E125 HydrophobicContact CG-CG 4.42Å; R121-E125 WeakPolarHBondContact O-CB 3.43Å; R121-E125 VanDerWaalsContact O-CG 3.24Å; R121-E125 WeakPolarHBondContact O-CG 3.48Å; R121-E125 PolarHBondContact O-N 3.12Å; E125-C127 PolarHBondContact O-N 3.07Å
126S95.4Very high97.3Very high39 Ų3936 Ų3627%0.27319%0.186SC..THydrogen-bonded Turntrans-80.40.7174.783.70000114.1R62 K122 E123 A124R62-S126 PolarHBondContact NH1-O 3.01Å; R62-S126 PolarHBondContact NH1-OG 3.31Å; K122-S126 WeakPolarHBondContact O-CB 3.13Å; K122-S126 PolarHBondContact O-N 2.78Å; K122-S126 VanDerWaalsContact O-N 3.12Å; E123-S126 PolarHBondContact O-N 2.67Å; E123-S126 PolarHBondContact O-OG 3.13Å; A124-S126 PolarHBondContact O-N 3.18Å
127C96.3Very high97.3Very high15 Ų1536 Ų3610%0.10119%0.186CC..  trans-93.5138175.1-62.20000110.4E3 E123 A124 E125 L130E3-C127 HydrophobicContact CB-CB 3.91Å; E3-C127 HydrophobicContact CG-CB 4.35Å; E123-C127 PolarHBondContact O-SG 3.06Å; A124-C127 VanDerWaalsContact O-CB 3.3Å; A124-C127 WeakPolarHBondContact O-CB 3.23Å; A124-C127 PolarHBondContact O-N 2.85Å; A124-C127 VanDerWaalsContact O-N 3.11Å; E125-C127 PolarHBondContact O-N 3.07Å; C127-L130 HydrophobicContact CB-CB 4.04Å
128D94.6Very high97.2Very high138 Ų13836.4 Ų36.474%0.73819%0.189SC*.SBendtrans-71.2-39.3175-66.3-32.2000111.4E3E3-D128 PolarHBondContact OE2-N 3.09Å
129C94.2Very high97.1Very high70 Ų7033 Ų3347%0.47317%0.17SC..SBendtrans-150.789.2171.6174.30000109.7M1 R2 E3 Q131M1-C129 WeakPolarHBondContact O-CB 3.4Å; M1-C129 PolarHBondContact O-N 3.43Å; R2-C129 CarbonylContact C-O 3.46Å; R2-C129 VanDerWaalsContact CA-O 3.32Å; R2-C129 WeakPolarHBondContact CA-O 3.47Å; E3-C129 PolarHBondContact N-O 2.71Å; E3-C129 WeakPolarHBondContact OE2-CA 3.39Å; E3-C129 PolarHBondContact OE2-N 2.9Å; E3-C129 VanDerWaalsContact OE2-O 3.08Å; C129-Q131 PolarHBondContact O-N 3.15Å
130L96.7Very high96.9Very high14 Ų1432.5 Ų32.57%0.07317%0.168CC..EExtended strand (participates in β ladder)trans-56.9123.8172.6179.868.5000111V5 A124 C127 G132 F133 Y159 R162V5-L130 HydrophobicContact CG2-CD1 3.91Å; A124-L130 HydrophobicContact CB-CD2 3.88Å; C127-L130 HydrophobicContact CB-CB 4.04Å; L130-G132 WeakPolarHBondContact CD1-O 3.31Å; L130-F133 HydrophobicContact CD2-CE1 4.31Å; L130-F133 HydrophobicContact CD2-CE2 3.99Å; L130-F133 HydrophobicContact CD2-CZ 3.64Å; L130-Y159 HydrophobicContact CD2-CD1 4.26Å; L130-Y159 HydrophobicContact CD2-CE1 4.44Å; L130-R162 HydrophobicContact CD2-CG 4.18Å; L130-R162 WeakPolarHBondContact O-CD 3.26Å; L130-R162 PolarHBondContact O-NE 2.77Å
131Q95.1Very high96.5Very high18 Ų1833.2 Ų33.28%0.08418%0.176CC..EExtended strand (participates in β ladder)trans-83.7-38.8170.8-59.8-172.256.200112.6R2 E3 I4 C129 I163R2-Q131 VanDerWaalsContact C-NE2 3.33Å; R2-Q131 VanDerWaalsContact CB-CD 3.45Å; R2-Q131 HydrophobicContact CB-CG 3.44Å; R2-Q131 VanDerWaalsContact CB-CG 3.44Å; R2-Q131 HydrophobicContact CG-CG 4.11Å; R2-Q131 PolarHBondContact O-NE2 3.42Å; E3-Q131 PolarHBondContact O-N 2.77Å; I4-Q131 HydrophobicContact CG1-CB 4.46Å; C129-Q131 PolarHBondContact O-N 3.15Å; Q131-I163 PolarHBondContact O-N 2.81Å; Q131-I163 VanDerWaalsContact O-N 3.09Å
132G97.3Very high96.3Very high0 Ų029.9 Ų29.90%016%0.164CC..EExtended strand (participates in β ladder)trans169.7179-162.500000114.1V5 L130 I163V5-G132 PolarHBondContact N-O 2.9Å; L130-G132 WeakPolarHBondContact CD1-O 3.31Å; G132-I163 CarbonylContact C-O 3.59Å; G132-I163 WeakPolarHBondContact CA-O 3.14Å
133F98.4Very high96.3Very high1 Ų124.1 Ų24.10%0.00414%0.14CC..EExtended strand (participates in β ladder)trans-114.9146.7178.9-57.5-86.7000109V5 I7 V120 A124 L130 I155 Y159 R162 I163 M164 N165V5-F133 HydrophobicContact CB-CD1 3.79Å; V5-F133 HydrophobicContact CB-CE1 4.04Å; V5-F133 HydrophobicContact CG1-CD1 4.14Å; V5-F133 HydrophobicContact CG1-CE1 4.37Å; V5-F133 HydrophobicContact CG2-CE1 4.39Å; V5-F133 WeakPolarHBondContact O-CA 3.32Å; I7-F133 HydrophobicContact CD1-CD1 4.23Å; V120-F133 HydrophobicContact CG1-CD1 4.2Å; V120-F133 HydrophobicContact CG1-CE1 3.5Å; V120-F133 VanDerWaalsContact CG1-CE1 3.5Å; V120-F133 HydrophobicContact CG1-CZ 4.09Å; A124-F133 HydrophobicContact CB-CZ 4.43Å; L130-F133 HydrophobicContact CD2-CE1 4.31Å; L130-F133 HydrophobicContact CD2-CE2 3.99Å; L130-F133 HydrophobicContact CD2-CZ 3.64Å; F133-I155 HydrophobicContact CD1-CG2 4.15Å; F133-I155 HydrophobicContact CD2-CG2 3.34Å; F133-I155 HydrophobicContact CE1-CG2 4.21Å; F133-I155 HydrophobicContact CE2-CG2 3.39Å; F133-I155 HydrophobicContact CG-CG2 3.74Å; F133-I155 HydrophobicContact CZ-CG2 3.83Å; F133-Y159 HydrophobicContact CE2-CD1 4.28Å; F133-Y159 AromaticContact CE2-CD2 3.79Å; F133-Y159 HydrophobicContact CE2-CD2 3.79Å; F133-Y159 AromaticContact CE2-CG 3.66Å; F133-Y159 HydrophobicContact CE2-CG 3.66Å; F133-Y159 HydrophobicContact CZ-CD1 4.13Å; F133-Y159 AromaticContact CZ-CD2 3.64Å; F133-Y159 HydrophobicContact CZ-CD2 3.64Å; F133-Y159 HydrophobicContact CZ-CE1 4.36Å; F133-Y159 AromaticContact CZ-CE2 3.92Å; F133-Y159 HydrophobicContact CZ-CE2 3.92Å; F133-Y159 AromaticContact CZ-CG 3.77Å; F133-Y159 HydrophobicContact CZ-CG 3.77Å; F133-R162 HydrophobicContact CD2-CB 4.48Å; F133-R162 HydrophobicContact CE2-CB 4.21Å; F133-I163 PolarHBondContact N-O 3.22Å; F133-M164 HydrophobicContact CB-CE 3.9Å; F133-M164 HydrophobicContact CB-SD 3.91Å; F133-M164 HydrophobicContact CD2-CE 4.25Å; F133-M164 HydrophobicContact CG-CE 4.31Å; F133-N165 PolarHBondContact O-N 3.14Å
134Q98.1Very high96.2Very high0 Ų024.1 Ų24.10%014%0.141CC..EExtended strand (participates in β ladder)trans-122.9116.4173.8-176.9168.269.100108.3I4 V5 H6 I7 Y50 N165 F167I4-Q134 HydrophobicContact CG2-CB 3.94Å; V5-Q134 PolarHBondContact O-N 3.12Å; H6-Q134 CarbonylContact C-O 3.55Å; H6-Q134 WeakPolarHBondContact CA-O 3.39Å; H6-Q134 PolarHBondContact CD2-O 2.94Å; H6-Q134 VanDerWaalsContact CD2-O 3.25Å; I7-Q134 PolarHBondContact N-O 2.85Å; Y50-Q134 PolarHBondContact OH-NE2 2.81Å; Y50-Q134 PolarHBondContact OH-OE1 2.92Å; Q134-N165 CarbonylContact C-O 3.53Å; Q134-N165 VanDerWaalsContact CA-O 3.23Å; Q134-N165 WeakPolarHBondContact CA-O 3.31Å; Q134-N165 PolarHBondContact NE2-ND2 3.4Å; Q134-F167 HydrophobicContact CG-CD2 4.04Å; Q134-F167 HydrophobicContact CG-CE2 3.97Å
135L98.5Very high96.2Very high2 Ų223.6 Ų23.61%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-102.5129.9176-175.175.5000110.5I7 A9 H137 I152 N165 T166 F167I7-L135 HydrophobicContact CB-CD1 3.66Å; I7-L135 HydrophobicContact CG2-CD1 3.5Å; I7-L135 CarbonylContact O-C 3.55Å; I7-L135 WeakPolarHBondContact O-CA 3.48Å; A9-L135 HydrophobicContact CB-CD1 4.07Å; L135-H137 HydrophobicContact CD2-CB 3.99Å; L135-H137 HydrophobicContact CG-CB 4.18Å; L135-I152 HydrophobicContact CD2-CD1 3.37Å; L135-I152 HydrophobicContact CD2-CG1 3.71Å; L135-N165 PolarHBondContact N-O 3.29Å; L135-T166 HydrophobicContact CB-CG2 4.23Å; L135-T166 CarbonylContact O-C 3.12Å; L135-T166 VanDerWaalsContact O-CA 3.24Å; L135-T166 WeakPolarHBondContact O-CA 3.37Å; L135-F167 PolarHBondContact O-N 3.48Å
136T98.6Very high96.2Very high0 Ų016.8 Ų16.80%011%0.105CC..EExtended strand (participates in β ladder)trans-108119.8165.8-54.70000109.4H6 I7 A9 G13 I16 F167 M233H6-T136 PolarHBondContact NE2-OG1 2.89Å; I7-T136 PolarHBondContact O-N 2.96Å; A9-T136 PolarHBondContact N-O 2.87Å; G13-T136 VanDerWaalsContact CA-O 3.26Å; G13-T136 WeakPolarHBondContact CA-O 3.39Å; I16-T136 HydrophobicContact CB-CG2 3.91Å; I16-T136 HydrophobicContact CD1-CG2 4.43Å; I16-T136 HydrophobicContact CG2-CG2 3.66Å; T136-F167 HydrophobicContact CG2-CB 4.28Å; T136-M233 HydrophobicContact CG2-CE 4.41Å; T136-M233 VanDerWaalsContact OG1-CE 3.28Å; T136-M233 WeakPolarHBondContact OG1-CE 3.45Å
137H98.3Very high96.3Very high0 Ų015 Ų150%09%0.092CC..EExtended strand (participates in β ladder)trans-153.5171.2-174.975.1156.7000112.5A9 L135 L139 G144 F167 S168 V169A9-H137 HydrophobicContact CB-CB 4.2Å; L135-H137 HydrophobicContact CD2-CB 3.99Å; L135-H137 HydrophobicContact CG-CB 4.18Å; H137-L139 VanDerWaalsContact CE1-CD2 3.48Å; H137-L139 WeakPolarHBondContact CE1-CD2 3.4Å; H137-L139 WeakPolarHBondContact NE2-CD2 3.43Å; H137-G144 PolarHBondContact ND1-O 3.38Å; H137-F167 PolarHBondContact N-O 3.11Å; H137-F167 VanDerWaalsContact N-O 3.14Å; H137-S168 PolarHBondContact CD2-OG 2.61Å; H137-S168 PolarHBondContact NE2-OG 3.48Å; H137-V169 PolarHBondContact O-N 2.72Å
138S96.6Very high96.4Very high14 Ų1414.2 Ų14.210%0.0989%0.087CC..EExtended strand (participates in β ladder)trans-116.7134.7173.3174.90000110.7G140 G144 S145 V169S138-G140 PolarHBondContact O-N 2.71Å; S138-G140 PolarHBondContact OG-N 3.47Å; S138-G144 CarbonylContact O-C 3.54Å; S138-G144 WeakPolarHBondContact O-CA 3.29Å; S138-S145 WeakPolarHBondContact O-CA 3.37Å; S138-S145 PolarHBondContact O-N 3.49Å; S138-V169 WeakPolarHBondContact CA-O 3.21Å; S138-V169 PolarHBondContact OG-O 2.79Å
139L96.7Very high96.6Very high5 Ų57.7 Ų7.73%0.0265%0.052CC..SBendtrans-78.2-10.9178.3-45.8-171.8000112.5H137 S145 V169 V170 N184 A185 V189 L192H137-L139 VanDerWaalsContact CE1-CD2 3.48Å; H137-L139 WeakPolarHBondContact CE1-CD2 3.4Å; H137-L139 WeakPolarHBondContact NE2-CD2 3.43Å; L139-S145 WeakPolarHBondContact O-CB 3.38Å; L139-V169 PolarHBondContact N-O 3.15Å; L139-V170 HydrophobicContact CD1-CG2 4.04Å; L139-N184 CarbonylContact O-C 3.53Å; L139-N184 WeakPolarHBondContact O-CB 3.43Å; L139-A185 HydrophobicContact CB-CB 4.31Å; L139-A185 WeakPolarHBondContact O-CA 3.38Å; L139-A185 PolarHBondContact O-N 3.06Å; L139-A185 VanDerWaalsContact O-N 3.13Å; L139-V189 HydrophobicContact CD1-CG2 4.18Å; L139-L192 HydrophobicContact CD1-CD1 4.08Å; L139-L192 HydrophobicContact CD2-CD1 3.73Å
140G92.8Very high96.8Very high0 Ų05 Ų50%03%0.033CC..SBendtrans-93.9-27.4-179.200000114.7S138 N184S138-G140 PolarHBondContact O-N 2.71Å; S138-G140 PolarHBondContact OG-N 3.47Å; G140-N184 PolarHBondContact O-ND2 2.69Å
141G91.7Very high96.9Very high17 Ų174.4 Ų4.418%0.1753%0.03CC..SBendtrans-92.9156.2-176.100000113S145G141-S145 WeakPolarHBondContact O-CB 3.32Å; G141-S145 PolarHBondContact O-N 2.84Å; G141-S145 PolarHBondContact O-OG 3.13Å
142G93.8Very high97Very high2 Ų23.6 Ų3.62%0.0213%0.026CC..Hα-helixtrans-66.6-46.7-173.400000114.3G146G142-G146 PolarHBondContact O-N 3.17Å
143T96.6Very high97.1Very high13 Ų134.7 Ų4.78%0.083%0.034CC..Iπ-helixtrans-69.8-48.3177.5-48.50000111.9D67 L68 S145 M147 G148D67-T143 PolarHBondContact OD1-OG1 3.35Å; L68-T143 HydrophobicContact CB-CG2 4.42Å; L68-T143 HydrophobicContact CD1-CG2 4.11Å; L68-T143 HydrophobicContact CG-CG2 3.84Å; T143-S145 VanDerWaalsContact C-N 3.33Å; T143-S145 PolarHBondContact O-N 3.26Å; T143-M147 HydrophobicContact CG2-CB 4.21Å; T143-M147 VanDerWaalsContact O-CB 3.28Å; T143-M147 WeakPolarHBondContact O-CB 3.36Å; T143-M147 PolarHBondContact O-N 2.84Å; T143-G148 PolarHBondContact O-N 3.05Å
144G96.3Very high97.1Very high5 Ų57.7 Ų7.75%0.0525%0.047CC..Iπ-helixtrans-60.8-45.1-178.700000111.5H137 S138 G148H137-G144 PolarHBondContact ND1-O 3.38Å; S138-G144 CarbonylContact O-C 3.54Å; S138-G144 WeakPolarHBondContact O-CA 3.29Å; G144-G148 VanDerWaalsContact O-CA 3.24Å; G144-G148 WeakPolarHBondContact O-CA 3.38Å; G144-G148 PolarHBondContact O-N 3.06Å
145S97.1Very high97.1Very high0 Ų07.8 Ų7.80%05%0.048CC..Iπ-helixtrans-78.4-62-176.171.40000111.1W101 S138 L139 G141 T143 T149 S188W101-S145 PolarHBondContact NE1-O 2.99Å; S138-S145 WeakPolarHBondContact O-CA 3.37Å; S138-S145 PolarHBondContact O-N 3.49Å; L139-S145 WeakPolarHBondContact O-CB 3.38Å; G141-S145 WeakPolarHBondContact O-CB 3.32Å; G141-S145 PolarHBondContact O-N 2.84Å; G141-S145 PolarHBondContact O-OG 3.13Å; T143-S145 VanDerWaalsContact C-N 3.33Å; T143-S145 PolarHBondContact O-N 3.26Å; S145-T149 WeakPolarHBondContact O-CB 3.44Å; S145-T149 WeakPolarHBondContact O-CG2 3.25Å; S145-T149 PolarHBondContact O-N 3.4Å; S145-T149 PolarHBondContact O-OG1 3.34Å; S145-S188 VanDerWaalsContact CA-OG 3.26Å; S145-S188 WeakPolarHBondContact CA-OG 3.27Å; S145-S188 WeakPolarHBondContact CB-OG 3.37Å; S145-S188 PolarHBondContact O-OG 3.45Å
146G97.6Very high97Very high0 Ų09.7 Ų9.70%05%0.054CC..Iπ-helixtrans-67.4-58.1-174.500000113.7W101 G104 H105 G142 T149 L150W101-G146 VanDerWaalsContact CD1-CA 3.41Å; W101-G146 VanDerWaalsContact CD1-N 3.27Å; W101-G146 WeakPolarHBondContact O-CA 3.42Å; G104-G146 CarbonylContact O-C 3.31Å; H105-G146 PolarHBondContact ND1-O 3.22Å; G142-G146 PolarHBondContact O-N 3.17Å; G146-T149 PolarHBondContact O-OG1 2.66Å; G146-L150 WeakPolarHBondContact O-CB 3.48Å; G146-L150 PolarHBondContact O-N 3.45Å
147M97.4Very high97Very high0 Ų015.2 Ų15.20%08%0.081CC..Iπ-helixtrans-71.9-38.2-178.6176.558.6177.400111.1V66 L68 G104 G109 L112 V113 V116 T143 T149 L150 L151V66-M147 HydrophobicContact CG1-CE 4.31Å; L68-M147 HydrophobicContact CD1-CB 4.49Å; G104-M147 WeakPolarHBondContact O-CA 3.25Å; G104-M147 VanDerWaalsContact O-CB 3.3Å; G104-M147 WeakPolarHBondContact O-CB 3.18Å; G104-M147 PolarHBondContact O-N 3.14Å; G109-M147 WeakPolarHBondContact CA-SD 3.31Å; G109-M147 VanDerWaalsContact O-SD 3.4Å; L112-M147 HydrophobicContact CB-CE 4.36Å; V113-M147 HydrophobicContact CB-CE 4.01Å; V113-M147 HydrophobicContact CB-SD 4.43Å; V113-M147 HydrophobicContact CG2-CE 4.27Å; V116-M147 HydrophobicContact CB-CE 4.42Å; V116-M147 HydrophobicContact CG2-CE 3.78Å; T143-M147 HydrophobicContact CG2-CB 4.21Å; T143-M147 VanDerWaalsContact O-CB 3.28Å; T143-M147 WeakPolarHBondContact O-CB 3.36Å; T143-M147 PolarHBondContact O-N 2.84Å; M147-T149 PolarHBondContact O-N 2.89Å; M147-L150 PolarHBondContact O-N 3.37Å; M147-L150 HydrophobicContact SD-CD2 4.05Å; M147-L151 HydrophobicContact CE-CD1 3.85Å; M147-L151 HydrophobicContact CE-CD2 3.82Å; M147-L151 HydrophobicContact CE-CG 3.74Å; M147-L151 HydrophobicContact CG-CD1 4.25Å; M147-L151 WeakPolarHBondContact O-CB 3.37Å; M147-L151 WeakPolarHBondContact O-CG 3.41Å; M147-L151 PolarHBondContact O-N 2.96Å; M147-L151 HydrophobicContact SD-CD1 4.45Å; M147-L151 HydrophobicContact SD-CG 4.17Å
148G98.1Very high97Very high0 Ų018.9 Ų18.90%010%0.097CC..Hα-helixtrans-60.3-44.9175.900000112.6T143 G144 L151 I152T143-G148 PolarHBondContact O-N 3.05Å; G144-G148 VanDerWaalsContact O-CA 3.24Å; G144-G148 WeakPolarHBondContact O-CA 3.38Å; G144-G148 PolarHBondContact O-N 3.06Å; G148-L151 PolarHBondContact O-N 2.95Å; G148-I152 WeakPolarHBondContact O-CG1 3.5Å; G148-I152 PolarHBondContact O-N 3.09Å
149T98.3Very high97Very high0 Ų020.3 Ų20.30%010%0.101CC..Hα-helixtrans-75.2-30.2177.260.50000113.7W101 S145 G146 M147 L151 I152 S153 Q191W101-T149 PolarHBondContact NE1-OG1 2.7Å; S145-T149 WeakPolarHBondContact O-CB 3.44Å; S145-T149 WeakPolarHBondContact O-CG2 3.25Å; S145-T149 PolarHBondContact O-N 3.4Å; S145-T149 PolarHBondContact O-OG1 3.34Å; G146-T149 PolarHBondContact O-OG1 2.66Å; M147-T149 PolarHBondContact O-N 2.89Å; T149-L151 VanDerWaalsContact C-N 3.34Å; T149-I152 HydrophobicContact CG2-CD1 4.44Å; T149-I152 PolarHBondContact O-N 3.02Å; T149-S153 PolarHBondContact O-N 3.06Å; T149-Q191 HydrophobicContact CG2-CB 3.91Å
150L98.3Very high97Very high14 Ų1423.6 Ų23.67%0.07312%0.123CC..Hα-helixtrans-58.6-47.3169178.462.4000111.1H105 V113 G146 M147 I152 S153 K154H105-L150 WeakPolarHBondContact O-CD2 3.42Å; V113-L150 HydrophobicContact CB-CD2 3.95Å; V113-L150 HydrophobicContact CG1-CD2 4.33Å; V113-L150 HydrophobicContact CG2-CD2 4Å; V113-L150 HydrophobicContact CG2-CG 4.04Å; G146-L150 WeakPolarHBondContact O-CB 3.48Å; G146-L150 PolarHBondContact O-N 3.45Å; M147-L150 PolarHBondContact O-N 3.37Å; M147-L150 HydrophobicContact SD-CD2 4.05Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 3.2Å; L150-S153 PolarHBondContact O-N 3.36Å; L150-K154 HydrophobicContact CD1-CG 4.3Å; L150-K154 WeakPolarHBondContact O-CG 3.39Å; L150-K154 PolarHBondContact O-N 2.9Å
151L98.4Very high97.2Very high1 Ų129.2 Ų29.21%0.00515%0.153CC..Hα-helixtrans-60.6-43177-75.8170.3000111.8V66 V113 V116 M147 G148 T149 S153 K154 I155V66-L151 HydrophobicContact CG1-CD1 4.41Å; V66-L151 HydrophobicContact CG2-CD1 4.45Å; V113-L151 HydrophobicContact CG2-CD2 3.87Å; V116-L151 HydrophobicContact CB-CD2 3.79Å; V116-L151 HydrophobicContact CG1-CD1 4.04Å; V116-L151 HydrophobicContact CG1-CD2 3.49Å; V116-L151 VanDerWaalsContact CG1-CD2 3.49Å; V116-L151 HydrophobicContact CG1-CG 4.44Å; V116-L151 HydrophobicContact CG2-CD2 4.48Å; M147-L151 HydrophobicContact CE-CD1 3.85Å; M147-L151 HydrophobicContact CE-CD2 3.82Å; M147-L151 HydrophobicContact CE-CG 3.74Å; M147-L151 HydrophobicContact CG-CD1 4.25Å; M147-L151 WeakPolarHBondContact O-CB 3.37Å; M147-L151 WeakPolarHBondContact O-CG 3.41Å; M147-L151 PolarHBondContact O-N 2.96Å; M147-L151 HydrophobicContact SD-CD1 4.45Å; M147-L151 HydrophobicContact SD-CG 4.17Å; G148-L151 PolarHBondContact O-N 2.95Å; T149-L151 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 3.44Å; L151-K154 PolarHBondContact O-N 3.33Å; L151-I155 WeakPolarHBondContact O-CB 3.35Å; L151-I155 WeakPolarHBondContact O-CD1 3.4Å; L151-I155 WeakPolarHBondContact O-CG1 3.42Å; L151-I155 PolarHBondContact O-N 2.78Å
152I98.6Very high97.4Very high1 Ų132.7 Ų32.71%0.00516%0.161CC..Hα-helixtrans-56.5-50.9175.9-76.7159.8000111L135 G148 T149 L150 K154 I155 R156 M164 T166 L192 N195 T196L135-I152 HydrophobicContact CD2-CD1 3.37Å; L135-I152 HydrophobicContact CD2-CG1 3.71Å; G148-I152 WeakPolarHBondContact O-CG1 3.5Å; G148-I152 PolarHBondContact O-N 3.09Å; T149-I152 HydrophobicContact CG2-CD1 4.44Å; T149-I152 PolarHBondContact O-N 3.02Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 3.2Å; I152-K154 PolarHBondContact O-N 3.35Å; I152-I155 PolarHBondContact O-N 3.47Å; I152-R156 WeakPolarHBondContact O-CB 3.43Å; I152-R156 PolarHBondContact O-N 2.87Å; I152-M164 HydrophobicContact CG1-CG 4.38Å; I152-M164 HydrophobicContact CG1-SD 4.11Å; I152-M164 HydrophobicContact CG2-CG 4.14Å; I152-T166 HydrophobicContact CD1-CG2 3.88Å; I152-L192 HydrophobicContact CD1-CD2 3.77Å; I152-N195 HydrophobicContact CG2-CB 3.37Å; I152-T196 HydrophobicContact CD1-CG2 4.23Å; I152-T196 HydrophobicContact CG2-CG2 3.78Å
153S98.1Very high97.6Very high23 Ų2332.8 Ų32.816%0.16116%0.161CC..Hα-helixtrans-59-47.2179.3-175.60000111.3T149 L150 L151 I155 R156 E157T149-S153 PolarHBondContact O-N 3.06Å; L150-S153 PolarHBondContact O-N 3.36Å; L151-S153 PolarHBondContact O-N 3.44Å; S153-I155 PolarHBondContact O-N 3.23Å; S153-R156 WeakPolarHBondContact O-CB 3.34Å; S153-R156 PolarHBondContact O-N 3.01Å; S153-E157 WeakPolarHBondContact O-CG 3.42Å; S153-E157 PolarHBondContact O-N 3.19Å; S153-E157 PolarHBondContact OG-OE1 3.05Å
154K98.3Very high97.7Very high64 Ų6432.3 Ų32.328%0.27816%0.158SC..Hα-helixtrans-67.1-38.6-178.5-69.5-76159.9-122.80113.1V113 L117 L150 L151 I152 E157 E158V113-K154 HydrophobicContact CG2-CG 4.19Å; L117-K154 HydrophobicContact CD1-CB 3.87Å; L117-K154 HydrophobicContact CD1-CD 4.43Å; L117-K154 HydrophobicContact CD1-CG 4.32Å; L117-K154 HydrophobicContact CD2-CB 3.96Å; L117-K154 HydrophobicContact CG-CB 4.46Å; L150-K154 HydrophobicContact CD1-CG 4.3Å; L150-K154 WeakPolarHBondContact O-CG 3.39Å; L150-K154 PolarHBondContact O-N 2.9Å; L151-K154 PolarHBondContact O-N 3.33Å; I152-K154 PolarHBondContact O-N 3.35Å; K154-E157 IonicContact NZ-OE1 2.79Å; K154-E157 PolarHBondContact NZ-OE1 3.47Å; K154-E157 IonicContact NZ-OE2 3.41Å; K154-E157 PolarHBondContact NZ-OE2 3Å; K154-E157 WeakPolarHBondContact O-CB 3.38Å; K154-E157 PolarHBondContact O-N 3.29Å; K154-E158 PolarHBondContact O-N 3.15Å; K154-E158 VanDerWaalsContact O-N 3.1Å
155I98.5Very high97.7Very high3 Ų332 Ų322%0.01516%0.155CC..Hα-helixtrans-69-37.7175.3-66.4168.1000110.4I7 L117 V120 F133 L151 I152 S153 E157 E158 Y159 M164I7-I155 HydrophobicContact CD1-CD1 3.33Å; L117-I155 HydrophobicContact CD2-CG1 3.91Å; V120-I155 HydrophobicContact CG1-CD1 4.24Å; V120-I155 HydrophobicContact CG1-CG1 4.22Å; V120-I155 HydrophobicContact CG2-CD1 4.18Å; F133-I155 HydrophobicContact CD1-CG2 4.15Å; F133-I155 HydrophobicContact CD2-CG2 3.34Å; F133-I155 HydrophobicContact CE1-CG2 4.21Å; F133-I155 HydrophobicContact CE2-CG2 3.39Å; F133-I155 HydrophobicContact CG-CG2 3.74Å; F133-I155 HydrophobicContact CZ-CG2 3.83Å; L151-I155 WeakPolarHBondContact O-CB 3.35Å; L151-I155 WeakPolarHBondContact O-CD1 3.4Å; L151-I155 WeakPolarHBondContact O-CG1 3.42Å; L151-I155 PolarHBondContact O-N 2.78Å; I152-I155 PolarHBondContact O-N 3.47Å; S153-I155 PolarHBondContact O-N 3.23Å; I155-E157 VanDerWaalsContact C-N 3.32Å; I155-E157 PolarHBondContact O-N 3.46Å; I155-E158 PolarHBondContact O-N 2.92Å; I155-Y159 HydrophobicContact CG2-CD2 4Å; I155-Y159 WeakPolarHBondContact O-CB 3.28Å; I155-Y159 WeakPolarHBondContact O-CD2 3.47Å; I155-Y159 PolarHBondContact O-N 3.29Å; I155-M164 HydrophobicContact CB-CE 3.65Å; I155-M164 HydrophobicContact CD1-CE 4.32Å; I155-M164 HydrophobicContact CG2-CE 3.37Å
156R97.6Very high97.8Very high41 Ų4132 Ų3216%0.15516%0.155CC..Hα-helixtrans-61.9-40.2174.2179.26066.3172.211.5111.6I152 S153 Y159 P160 R162 M164 N195 D197I152-R156 WeakPolarHBondContact O-CB 3.43Å; I152-R156 PolarHBondContact O-N 2.87Å; S153-R156 WeakPolarHBondContact O-CB 3.34Å; S153-R156 PolarHBondContact O-N 3.01Å; R156-Y159 CarbonylContact O-C 3.44Å; R156-P160 PolarHBondContact NH1-O 3.08Å; R156-P160 VanDerWaalsContact O-CA 3.27Å; R156-P160 WeakPolarHBondContact O-CA 3.48Å; R156-P160 VanDerWaalsContact O-N 3.15Å; R156-R162 PolarHBondContact NH1-O 3.1Å; R156-R162 VanDerWaalsContact NH1-O 3.13Å; R156-M164 VanDerWaalsContact NH2-CB 3.31Å; R156-N195 HydrophobicContact CB-CB 4.43Å; R156-N195 PolarHBondContact NE-O 3.39Å; R156-N195 PolarHBondContact NH2-O 2.85Å; R156-D197 IonicContact CZ-OD1 2.71Å; R156-D197 IonicContact CZ-OD2 3.17Å; R156-D197 IonicContact NH1-OD1 3Å; R156-D197 IonicContact NH1-OD2 2.75Å; R156-D197 PolarHBondContact NH1-OD2 3.03Å; R156-D197 IonicContact NH2-OD1 3.36Å; R156-D197 PolarHBondContact NH2-OD1 2.99Å; R156-D197 IonicContact NH2-OD2 2.84Å; R156-D197 PolarHBondContact NH2-OD2 3.05Å
157E97.7Very high97.8Very high117 Ų11732.1 Ų32.155%0.54716%0.155SC..Hα-helixtrans-61.7-44.8174.2-71.6166.6-14300112.3S153 K154 I155S153-E157 WeakPolarHBondContact O-CG 3.42Å; S153-E157 PolarHBondContact O-N 3.19Å; S153-E157 PolarHBondContact OG-OE1 3.05Å; K154-E157 IonicContact NZ-OE1 2.79Å; K154-E157 PolarHBondContact NZ-OE1 3.47Å; K154-E157 IonicContact NZ-OE2 3.41Å; K154-E157 PolarHBondContact NZ-OE2 3Å; K154-E157 WeakPolarHBondContact O-CB 3.38Å; K154-E157 PolarHBondContact O-N 3.29Å; I155-E157 VanDerWaalsContact C-N 3.32Å; I155-E157 PolarHBondContact O-N 3.46Å
158E98Very high97.9Very high76 Ų7632.1 Ų32.136%0.35516%0.155SC..Hα-helixtrans-77.4-30.5-179.6-73.2-165.4-160.100113.6R121 K154 I155 P160R121-E158 IonicContact CZ-OE1 2.77Å; R121-E158 IonicContact CZ-OE2 3.94Å; R121-E158 IonicContact NE-OE2 3.91Å; R121-E158 PolarHBondContact NE-OE2 2.82Å; R121-E158 IonicContact NH2-OE1 2.79Å; R121-E158 PolarHBondContact NH2-OE1 2.87Å; R121-E158 IonicContact NH2-OE2 2.81Å; R121-E158 PolarHBondContact NH2-OE2 3.44Å; K154-E158 PolarHBondContact O-N 3.15Å; K154-E158 VanDerWaalsContact O-N 3.1Å; I155-E158 PolarHBondContact O-N 2.92Å; E158-P160 VanDerWaalsContact C-CD 3.48Å
159Y97.9Very high97.8Very high44 Ų4432.1 Ų32.117%0.17316%0.156CC..  trans-131.458.7-173.5-55.5-89.2000112.4V120 A124 L130 F133 I155 R156 D161 R162V120-Y159 HydrophobicContact CG1-CE2 4.41Å; A124-Y159 HydrophobicContact CB-CE1 4.04Å; L130-Y159 HydrophobicContact CD2-CD1 4.26Å; L130-Y159 HydrophobicContact CD2-CE1 4.44Å; F133-Y159 HydrophobicContact CE2-CD1 4.28Å; F133-Y159 AromaticContact CE2-CD2 3.79Å; F133-Y159 HydrophobicContact CE2-CD2 3.79Å; F133-Y159 AromaticContact CE2-CG 3.66Å; F133-Y159 HydrophobicContact CE2-CG 3.66Å; F133-Y159 HydrophobicContact CZ-CD1 4.13Å; F133-Y159 AromaticContact CZ-CD2 3.64Å; F133-Y159 HydrophobicContact CZ-CD2 3.64Å; F133-Y159 HydrophobicContact CZ-CE1 4.36Å; F133-Y159 AromaticContact CZ-CE2 3.92Å; F133-Y159 HydrophobicContact CZ-CE2 3.92Å; F133-Y159 AromaticContact CZ-CG 3.77Å; F133-Y159 HydrophobicContact CZ-CG 3.77Å; I155-Y159 HydrophobicContact CG2-CD2 4Å; I155-Y159 WeakPolarHBondContact O-CB 3.28Å; I155-Y159 WeakPolarHBondContact O-CD2 3.47Å; I155-Y159 PolarHBondContact O-N 3.29Å; R156-Y159 CarbonylContact O-C 3.44Å; Y159-D161 PolarHBondContact O-N 3.11Å; Y159-R162 PolarHBondContact O-N 3.32Å
160P96.9Very high97.7Very high75 Ų7532.2 Ų32.249%0.48716%0.156SC..THydrogen-bonded Turntrans-60.1-33.7-173.623.5-34.5000113R156 E158 R162R156-P160 PolarHBondContact NH1-O 3.08Å; R156-P160 VanDerWaalsContact O-CA 3.27Å; R156-P160 WeakPolarHBondContact O-CA 3.48Å; R156-P160 VanDerWaalsContact O-N 3.15Å; E158-P160 VanDerWaalsContact C-CD 3.48Å; P160-R162 VanDerWaalsContact C-N 3.26Å; P160-R162 PolarHBondContact O-N 3.26Å
161D95.7Very high97.3Very high118 Ų11832 Ų3263%0.63116%0.155SC*.THydrogen-bonded Turntrans-83.513-179.5-60-41.3000114Y159 R251Y159-D161 PolarHBondContact O-N 3.11Å; D161-R251 PolarHBondContact O-NH2 3.23Å
162R97Very high96.5Very high89 Ų8932 Ų3234%0.33616%0.155SC..SBendtrans-115.9145-179.2-64.1-61.1178.1-76.6-6.9110.6L130 F133 R156 Y159 P160 M164L130-R162 HydrophobicContact CD2-CG 4.18Å; L130-R162 WeakPolarHBondContact O-CD 3.26Å; L130-R162 PolarHBondContact O-NE 2.77Å; F133-R162 HydrophobicContact CD2-CB 4.48Å; F133-R162 HydrophobicContact CE2-CB 4.21Å; R156-R162 PolarHBondContact NH1-O 3.1Å; R156-R162 VanDerWaalsContact NH1-O 3.13Å; Y159-R162 PolarHBondContact O-N 3.32Å; P160-R162 VanDerWaalsContact C-N 3.26Å; P160-R162 PolarHBondContact O-N 3.26Å; R162-M164 PolarHBondContact O-N 3.37Å
163I97.3Very high95.2Very high4 Ų435.4 Ų35.42%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-70.7129.3-179.4-63-63.7000109.5Q131 G132 F133 D197 L250 R251 A254Q131-I163 PolarHBondContact O-N 2.81Å; Q131-I163 VanDerWaalsContact O-N 3.09Å; G132-I163 CarbonylContact C-O 3.59Å; G132-I163 WeakPolarHBondContact CA-O 3.14Å; F133-I163 PolarHBondContact N-O 3.22Å; I163-D197 VanDerWaalsContact CA-OD2 3.26Å; I163-D197 WeakPolarHBondContact CA-OD2 3.26Å; I163-D197 HydrophobicContact CD1-CB 4.12Å; I163-D197 HydrophobicContact CG2-CB 4.19Å; I163-L250 HydrophobicContact CB-CB 4Å; I163-L250 HydrophobicContact CB-CD1 4.36Å; I163-L250 HydrophobicContact CG1-CB 4.11Å; I163-L250 HydrophobicContact CG2-CB 3.85Å; I163-L250 HydrophobicContact CG2-CD1 4.22Å; I163-R251 HydrophobicContact CD1-CB 4.2Å; I163-R251 HydrophobicContact CD1-CG 4.47Å; I163-R251 HydrophobicContact CG1-CB 4.03Å; I163-A254 HydrophobicContact CD1-CB 4.4Å
164M98.3Very high94.1Very high3 Ų342 Ų422%0.01520%0.203CC..EExtended strand (participates in β ladder)trans-102.8107167.7-177.961.168.800108.9F133 I152 I155 R156 R162 T196 D197 E198F133-M164 HydrophobicContact CB-CE 3.9Å; F133-M164 HydrophobicContact CB-SD 3.91Å; F133-M164 HydrophobicContact CD2-CE 4.25Å; F133-M164 HydrophobicContact CG-CE 4.31Å; I152-M164 HydrophobicContact CG1-CG 4.38Å; I152-M164 HydrophobicContact CG1-SD 4.11Å; I152-M164 HydrophobicContact CG2-CG 4.14Å; I155-M164 HydrophobicContact CB-CE 3.65Å; I155-M164 HydrophobicContact CD1-CE 4.32Å; I155-M164 HydrophobicContact CG2-CE 3.37Å; R156-M164 VanDerWaalsContact NH2-CB 3.31Å; R162-M164 PolarHBondContact O-N 3.37Å; M164-T196 HydrophobicContact CG-CG2 3.84Å; M164-D197 PolarHBondContact N-OD2 2.97Å; M164-D197 PolarHBondContact O-N 2.91Å; M164-E198 PolarHBondContact O-N 3.26Å
165N97.5Very high92.9Very high0 Ų040.7 Ų40.70%020%0.201CC..EExtended strand (participates in β ladder)trans-104.2138.8176.7175.116.7000109.9F133 Q134 L135 E198 Y200F133-N165 PolarHBondContact O-N 3.14Å; Q134-N165 CarbonylContact C-O 3.53Å; Q134-N165 VanDerWaalsContact CA-O 3.23Å; Q134-N165 WeakPolarHBondContact CA-O 3.31Å; Q134-N165 PolarHBondContact NE2-ND2 3.4Å; L135-N165 PolarHBondContact N-O 3.29Å; N165-E198 CarbonylContact C-O 3.52Å; N165-E198 VanDerWaalsContact CA-O 3.31Å; N165-E198 WeakPolarHBondContact CA-O 3.29Å; N165-E198 HydrophobicContact CB-CB 4.22Å; N165-E198 PolarHBondContact OD1-O 3.21Å; N165-Y200 WeakPolarHBondContact OD1-CD2 3.41Å; N165-Y200 WeakPolarHBondContact OD1-CE2 3.29Å
166T98.5Very high91.9Very high0 Ų041.7 Ų41.70%021%0.208CC..EExtended strand (participates in β ladder)trans-128.9141.2175.978.90000113.4L135 I152 S168 L192 T196 E198 T199 Y200L135-T166 HydrophobicContact CB-CG2 4.23Å; L135-T166 CarbonylContact O-C 3.12Å; L135-T166 VanDerWaalsContact O-CA 3.24Å; L135-T166 WeakPolarHBondContact O-CA 3.37Å; I152-T166 HydrophobicContact CD1-CG2 3.88Å; T166-S168 PolarHBondContact OG1-OG 2.94Å; T166-L192 HydrophobicContact CG2-CD2 3.95Å; T166-T196 HydrophobicContact CG2-CG2 3.62Å; T166-E198 PolarHBondContact N-O 3.42Å; T166-T199 WeakPolarHBondContact OG1-CG2 3.32Å; T166-T199 PolarHBondContact OG1-OG1 3.25Å; T166-Y200 WeakPolarHBondContact O-CD2 3.24Å; T166-Y200 PolarHBondContact O-N 2.95Å
167F98.5Very high90.9Very high1 Ų147.5 Ų47.50%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-102.3101.3159.9-68.4-75.2000107.8Q134 L135 T136 H137 Y200 I202 M233 V236Q134-F167 HydrophobicContact CG-CD2 4.04Å; Q134-F167 HydrophobicContact CG-CE2 3.97Å; L135-F167 PolarHBondContact O-N 3.48Å; T136-F167 HydrophobicContact CG2-CB 4.28Å; H137-F167 PolarHBondContact N-O 3.11Å; H137-F167 VanDerWaalsContact N-O 3.14Å; F167-Y200 VanDerWaalsContact CD1-CB 3.47Å; F167-Y200 HydrophobicContact CD1-CD2 4.08Å; F167-Y200 AromaticContact CD1-CG 3.83Å; F167-Y200 HydrophobicContact CD1-CG 3.83Å; F167-Y200 HydrophobicContact CE1-CD1 4.09Å; F167-Y200 AromaticContact CE1-CD2 3.78Å; F167-Y200 HydrophobicContact CE1-CD2 3.78Å; F167-Y200 HydrophobicContact CE1-CE2 4.45Å; F167-Y200 AromaticContact CE1-CG 3.59Å; F167-Y200 HydrophobicContact CE1-CG 3.59Å; F167-Y200 HydrophobicContact CZ-CD2 4.25Å; F167-Y200 HydrophobicContact CZ-CG 4.47Å; F167-I202 HydrophobicContact CB-CD1 3.96Å; F167-I202 HydrophobicContact CD1-CD1 4.05Å; F167-I202 HydrophobicContact CG-CD1 4.47Å; F167-M233 HydrophobicContact CD1-CG 3.74Å; F167-M233 HydrophobicContact CD2-CE 3.64Å; F167-M233 HydrophobicContact CD2-CG 3.77Å; F167-M233 HydrophobicContact CD2-SD 4.2Å; F167-M233 HydrophobicContact CE1-CB 4.31Å; F167-M233 HydrophobicContact CE1-CG 3.72Å; F167-M233 HydrophobicContact CE2-CB 4.02Å; F167-M233 HydrophobicContact CE2-CE 3.89Å; F167-M233 HydrophobicContact CE2-CG 3.66Å; F167-M233 HydrophobicContact CG-CE 4.29Å; F167-M233 HydrophobicContact CG-CG 3.79Å; F167-M233 HydrophobicContact CG-SD 4.29Å; F167-M233 HydrophobicContact CZ-CB 3.92Å; F167-M233 HydrophobicContact CZ-CG 3.68Å; F167-V236 HydrophobicContact CE1-CG2 4.34Å; F167-V236 HydrophobicContact CZ-CB 4.2Å; F167-V236 HydrophobicContact CZ-CG1 4.12Å; F167-V236 HydrophobicContact CZ-CG2 4.5Å
168S98.4Very high90.4Very high0 Ų043.4 Ų43.40%023%0.225CC..EExtended strand (participates in β ladder)trans-105.7108.1-167.3-73.20000110.6H137 T166 V170 Y200 I202H137-S168 PolarHBondContact CD2-OG 2.61Å; H137-S168 PolarHBondContact NE2-OG 3.48Å; T166-S168 PolarHBondContact OG1-OG 2.94Å; S168-V170 PolarHBondContact O-N 3.02Å; S168-Y200 PolarHBondContact N-O 2.79Å; S168-I202 PolarHBondContact O-N 3.31Å
169V97.2Very high89.9Confident1 Ų143.6 Ų43.61%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-80.1108.3177.6-176.90000110.4I16 H137 S138 L139 I202 N204I16-V169 HydrophobicContact CD1-CG2 3.52Å; H137-V169 PolarHBondContact O-N 2.72Å; S138-V169 WeakPolarHBondContact CA-O 3.21Å; S138-V169 PolarHBondContact OG-O 2.79Å; L139-V169 PolarHBondContact N-O 3.15Å; V169-I202 CarbonylContact C-O 3.44Å; V169-I202 WeakPolarHBondContact CA-O 3.48Å; V169-I202 HydrophobicContact CG2-CB 4.35Å; V169-I202 HydrophobicContact CG2-CG2 4.34Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.33Å
170V95Very high89.8Confident2 Ų241.7 Ų41.71%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-80.1133.1178.7-173.80000109.5L139 S168 C201 I202 N204 L377 V381L139-V170 HydrophobicContact CD1-CG2 4.04Å; S168-V170 PolarHBondContact O-N 3.02Å; V170-C201 HydrophobicContact CG2-CB 4.45Å; V170-I202 PolarHBondContact N-O 3.01Å; V170-N204 PolarHBondContact O-N 3.02Å; V170-L377 HydrophobicContact CB-CD1 4.28Å; V170-L377 HydrophobicContact CG1-CD1 4.1Å; V170-L377 HydrophobicContact CG1-CD2 3.87Å; V170-L377 HydrophobicContact CG1-CG 4.08Å; V170-L377 HydrophobicContact CG2-CD1 4Å; V170-L377 HydrophobicContact CG2-CD2 4.16Å; V170-V381 HydrophobicContact CG1-CG2 4.44Å
171P90.3Very high89.7Confident9 Ų938.8 Ų38.86%0.05820%0.204CC..  trans-68.5160.4179.426.1-33.2000113.2E181 A185P171-E181 HydrophobicContact CB-CB 3.78Å; P171-E181 HydrophobicContact CB-CG 3.92Å; P171-E181 VanDerWaalsContact CB-OE2 3.23Å; P171-E181 WeakPolarHBondContact CB-OE2 3.44Å; P171-E181 HydrophobicContact CG-CB 3.97Å; P171-A185 HydrophobicContact CG-CB 3.82Å
172S81.9Confident89.6Confident0 Ų033.8 Ų33.80%018%0.178CC..  trans-141.4127.9169.5176.80000110.6K174 V175 S176 E205S172-K174 PolarHBondContact O-N 3.15Å; S172-K174 PolarHBondContact OG-N 3.33Å; S172-V175 PolarHBondContact O-N 2.97Å; S172-S176 PolarHBondContact O-N 3.18Å; S172-E205 WeakPolarHBondContact OG-CB 3.4Å; S172-E205 PolarHBondContact OG-OE2 2.84Å; S172-E205 VanDerWaalsContact OG-OE2 3.11Å
173P71.4Confident89.6Confident74 Ų7429.5 Ų29.548%0.48116%0.162SC..THydrogen-bonded Turntrans-61.5-15.4176.5-20.830.1000114.3V175 Q384P173-V175 VanDerWaalsContact C-N 3.31Å; P173-Q384 VanDerWaalsContact CG-NE2 3.33Å
174K74.1Confident89.7Confident161 Ų16129.3 Ų29.370%0.716%0.161SC*.THydrogen-bonded Turntrans-79-17177.1-66.8-179.2-176.7166.10112.8S172 E205S172-K174 PolarHBondContact O-N 3.15Å; S172-K174 PolarHBondContact OG-N 3.33Å; K174-E205 HydrophobicContact CD-CG 4.25Å; K174-E205 WeakPolarHBondContact CE-OE1 3.26Å; K174-E205 IonicContact NZ-OE1 3.48Å; K174-E205 PolarHBondContact NZ-OE1 3.01Å
175V73Confident89.6Confident36 Ų3629.2 Ų29.222%0.21816%0.16CC..THydrogen-bonded Turntrans-121-28.5-170.6-172.30000112.1S172 P173 N204 Y208S172-V175 PolarHBondContact O-N 2.97Å; P173-V175 VanDerWaalsContact C-N 3.31Å; V175-N204 HydrophobicContact CB-CB 4.41Å; V175-N204 HydrophobicContact CG1-CB 4.41Å; V175-Y208 HydrophobicContact CG2-CG 4.45Å
176S77.9Confident89.6Confident24 Ų2429.2 Ų29.217%0.16816%0.16CC..  trans-110.8144.8-177-172.50000113.2S172 T178 E181S172-S176 PolarHBondContact O-N 3.18Å; S176-T178 PolarHBondContact OG-N 3.34Å; S176-E181 VanDerWaalsContact CB-CD 3.46Å; S176-E181 WeakPolarHBondContact CB-OE1 3.3Å; S176-E181 VanDerWaalsContact CB-OE2 3.25Å; S176-E181 WeakPolarHBondContact CB-OE2 3.46Å; S176-E181 PolarHBondContact OG-OE1 3.49Å; S176-E181 PolarHBondContact OG-OE2 2.89Å
177D77.6Confident89.6Confident164 Ų16429.4 Ų29.488%0.87716%0.161SC*.  trans-90.7-1.8174.7-65-43.5000112.8V179D177-V179 PolarHBondContact O-N 3.1Å
178T85.6Confident89.6Confident31 Ų3129.3 Ų29.319%0.1916%0.161CC..  trans-78.2113.3-175.6-61.40000110.8N99 S176 V180 E181N99-T178 HydrophobicContact CB-CG2 3.62Å; N99-T178 PolarHBondContact ND2-OG1 3.01Å; S176-T178 PolarHBondContact OG-N 3.34Å; T178-V180 VanDerWaalsContact C-N 3.34Å; T178-V180 HydrophobicContact CG2-CG2 4.11Å; T178-V180 PolarHBondContact O-N 3.46Å; T178-E181 HydrophobicContact CG2-CG 3.69Å; T178-E181 WeakPolarHBondContact O-CG 3.46Å
179V88.8Confident89.6Confident80 Ų8029.5 Ų29.549%0.48516%0.162SC..THydrogen-bonded Turntrans-72.9-21.3-173-59.70000114.7D177 M388 F394D177-V179 PolarHBondContact O-N 3.1Å; V179-M388 WeakPolarHBondContact O-CE 3.12Å; V179-M388 VanDerWaalsContact O-SD 3.42Å; V179-F394 HydrophobicContact CB-CE2 4.23Å; V179-F394 HydrophobicContact CB-CZ 4.45Å; V179-F394 HydrophobicContact CG2-CD2 4.27Å; V179-F394 HydrophobicContact CG2-CE1 4.21Å; V179-F394 HydrophobicContact CG2-CE2 3.78Å; V179-F394 HydrophobicContact CG2-CZ 3.76Å
180V94.5Very high89.6Confident4 Ų431.4 Ų31.42%0.02417%0.171CC..THydrogen-bonded Turntrans-100.38.2-175.7-58.20000114.1N99 T178 P182 Y183 N184 F394 W397 Y398N99-V180 WeakPolarHBondContact O-CG2 3.29Å; T178-V180 VanDerWaalsContact C-N 3.34Å; T178-V180 HydrophobicContact CG2-CG2 4.11Å; T178-V180 PolarHBondContact O-N 3.46Å; V180-P182 VanDerWaalsContact C-N 3.31Å; V180-Y183 PolarHBondContact O-N 3.21Å; V180-Y183 VanDerWaalsContact O-N 3.13Å; V180-N184 PolarHBondContact O-N 3.27Å; V180-F394 HydrophobicContact CG1-CB 3.8Å; V180-F394 HydrophobicContact CG1-CD2 4.14Å; V180-F394 HydrophobicContact CG1-CG 3.96Å; V180-W397 HydrophobicContact CG1-CE3 4.13Å; V180-W397 HydrophobicContact CG1-CZ3 4.24Å; V180-Y398 HydrophobicContact CB-CE2 4.23Å; V180-Y398 VanDerWaalsContact CB-OH 3.29Å; V180-Y398 WeakPolarHBondContact CB-OH 3.28Å; V180-Y398 HydrophobicContact CG1-CE2 4.33Å; V180-Y398 WeakPolarHBondContact CG2-OH 3.36Å; V180-Y398 PolarHBondContact O-OH 3.48Å
181E94.4Very high89.7Confident14 Ų1433 Ų337%0.06518%0.178CC..Hα-helixtrans-52.4-38.7178.3-73.8-176.8154.100114.8P171 S176 T178 Y183 N184 A185P171-E181 HydrophobicContact CB-CB 3.78Å; P171-E181 HydrophobicContact CB-CG 3.92Å; P171-E181 VanDerWaalsContact CB-OE2 3.23Å; P171-E181 WeakPolarHBondContact CB-OE2 3.44Å; P171-E181 HydrophobicContact CG-CB 3.97Å; S176-E181 VanDerWaalsContact CB-CD 3.46Å; S176-E181 WeakPolarHBondContact CB-OE1 3.3Å; S176-E181 VanDerWaalsContact CB-OE2 3.25Å; S176-E181 WeakPolarHBondContact CB-OE2 3.46Å; S176-E181 PolarHBondContact OG-OE1 3.49Å; S176-E181 PolarHBondContact OG-OE2 2.89Å; T178-E181 HydrophobicContact CG2-CG 3.69Å; T178-E181 WeakPolarHBondContact O-CG 3.46Å; E181-Y183 VanDerWaalsContact C-N 3.31Å; E181-Y183 PolarHBondContact O-N 2.91Å; E181-N184 PolarHBondContact O-N 2.85Å; E181-A185 VanDerWaalsContact O-CB 3.3Å; E181-A185 WeakPolarHBondContact O-CB 3.48Å; E181-A185 PolarHBondContact O-N 2.85Å
182P95.2Very high90.1Very high12 Ų1232.6 Ų32.68%0.07818%0.175CC..Hα-helixtrans-61.1-39.4179-26.637.3000112.8V180 T186 Q384 F385 M388V180-P182 VanDerWaalsContact C-N 3.31Å; P182-T186 WeakPolarHBondContact O-CB 3.5Å; P182-T186 PolarHBondContact O-N 3.24Å; P182-T186 PolarHBondContact O-OG1 2.79Å; P182-T186 VanDerWaalsContact O-OG1 3.06Å; P182-Q384 HydrophobicContact CB-CB 3.84Å; P182-Q384 HydrophobicContact CG-CB 3.66Å; P182-F385 HydrophobicContact CB-CB 4.32Å; P182-M388 HydrophobicContact CB-SD 4.11Å; P182-M388 HydrophobicContact CG-SD 3.73Å
183Y97.3Very high90.9Very high0 Ų033 Ų330%018%0.178CC..Hα-helixtrans-65-48.5174.6-68.6-25.5000111.7V180 E181 A185 T186 L187 F385 M388 F389 A393 L395 Y398 F408V180-Y183 PolarHBondContact O-N 3.21Å; V180-Y183 VanDerWaalsContact O-N 3.13Å; E181-Y183 VanDerWaalsContact C-N 3.31Å; E181-Y183 PolarHBondContact O-N 2.91Å; Y183-A185 VanDerWaalsContact C-N 3.3Å; Y183-A185 PolarHBondContact O-N 2.69Å; Y183-T186 PolarHBondContact O-N 2.98Å; Y183-L187 WeakPolarHBondContact O-CB 3.21Å; Y183-L187 WeakPolarHBondContact O-CD1 3.41Å; Y183-L187 VanDerWaalsContact O-CG 3.24Å; Y183-L187 WeakPolarHBondContact O-CG 3.12Å; Y183-L187 PolarHBondContact O-N 3.06Å; 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 3.54Å; Y183-F385 HydrophobicContact CD1-CE2 3.54Å; Y183-F385 HydrophobicContact CD1-CG 4.32Å; Y183-F385 HydrophobicContact CD1-CZ 4.4Å; Y183-F385 HydrophobicContact CE1-CD2 4.07Å; Y183-F385 HydrophobicContact CE1-CE2 4.06Å; Y183-M388 HydrophobicContact CD2-CE 4.22Å; Y183-M388 HydrophobicContact CE1-CB 3.91Å; Y183-M388 HydrophobicContact CE2-CE 3.93Å; Y183-M388 PolarHBondContact OH-O 3.06Å; Y183-F389 HydrophobicContact CE1-CB 4.1Å; Y183-F389 HydrophobicContact CE1-CD2 4.23Å; Y183-F389 WeakPolarHBondContact OH-CA 3.42Å; Y183-F389 PolarHBondContact OH-N 2.94Å; Y183-A393 WeakPolarHBondContact CE2-O 3.24Å; Y183-A393 PolarHBondContact OH-O 3.36Å; Y183-L395 HydrophobicContact CE1-CD2 4.25Å; Y183-L395 HydrophobicContact CE2-CD2 3.76Å; Y183-L395 WeakPolarHBondContact OH-CD2 3.44Å; Y183-Y398 HydrophobicContact CD2-CD2 4.28Å; Y183-Y398 AromaticContact CD2-CE2 3.68Å; Y183-Y398 HydrophobicContact CD2-CE2 3.68Å; Y183-Y398 AromaticContact CD2-CZ 3.98Å; Y183-Y398 HydrophobicContact CG-CE2 4.49Å; Y183-F408 HydrophobicContact CD1-CD1 4.16Å; 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 4.48Å; Y183-F408 HydrophobicContact CE1-CE1 4.39Å; Y183-F408 HydrophobicContact CG-CD1 4.46Å; Y183-F408 AromaticContact CG-CE1 3.77Å; Y183-F408 HydrophobicContact CG-CE1 3.77Å
184N97.4Very high92.1Very high0 Ų034.6 Ų34.60%018%0.179CC..Hα-helixtrans-58.7-44.2178.8-65-14.5000111.4N99 W101 L139 G140 V180 E181 S188 Y398N99-N184 PolarHBondContact O-ND2 2.84Å; W101-N184 HydrophobicContact CB-CB 4.19Å; W101-N184 WeakPolarHBondContact CB-OD1 3.18Å; W101-N184 PolarHBondContact N-OD1 3.23Å; L139-N184 CarbonylContact O-C 3.53Å; L139-N184 WeakPolarHBondContact O-CB 3.43Å; G140-N184 PolarHBondContact O-ND2 2.69Å; V180-N184 PolarHBondContact O-N 3.27Å; E181-N184 PolarHBondContact O-N 2.85Å; N184-S188 WeakPolarHBondContact O-CB 3.34Å; N184-S188 PolarHBondContact O-N 2.84Å; N184-S188 PolarHBondContact O-OG 3.09Å; N184-Y398 PolarHBondContact OD1-OH 3.19Å
185A97Very high93.2Very high0 Ų028 Ų280%015%0.151CC..Hα-helixtrans-66.8-45-178.900000112L139 P171 E181 Y183 S188 V189 V381L139-A185 HydrophobicContact CB-CB 4.31Å; L139-A185 WeakPolarHBondContact O-CA 3.38Å; L139-A185 PolarHBondContact O-N 3.06Å; L139-A185 VanDerWaalsContact O-N 3.13Å; P171-A185 HydrophobicContact CG-CB 3.82Å; E181-A185 VanDerWaalsContact O-CB 3.3Å; E181-A185 WeakPolarHBondContact O-CB 3.48Å; E181-A185 PolarHBondContact O-N 2.85Å; Y183-A185 VanDerWaalsContact C-N 3.3Å; Y183-A185 PolarHBondContact O-N 2.69Å; A185-S188 PolarHBondContact O-N 3.17Å; A185-V189 WeakPolarHBondContact O-CB 3.24Å; A185-V189 VanDerWaalsContact O-CG2 3.26Å; A185-V189 WeakPolarHBondContact O-CG2 3.14Å; A185-V189 PolarHBondContact O-N 2.75Å; A185-V381 HydrophobicContact CB-CG1 3.75Å; A185-V381 HydrophobicContact CB-CG2 4.46Å
186T97.6Very high94.4Very high0 Ų026.6 Ų26.60%014%0.143CC..Hα-helixtrans-61.3-46.9177-65.40000111.8P182 Y183 S188 V189 H190 F385 A411 M415P182-T186 WeakPolarHBondContact O-CB 3.5Å; P182-T186 PolarHBondContact O-N 3.24Å; P182-T186 PolarHBondContact O-OG1 2.79Å; P182-T186 VanDerWaalsContact O-OG1 3.06Å; Y183-T186 PolarHBondContact O-N 2.98Å; T186-S188 VanDerWaalsContact C-N 3.34Å; T186-S188 PolarHBondContact O-N 2.8Å; T186-V189 PolarHBondContact O-N 2.89Å; T186-H190 PolarHBondContact O-N 2.91Å; T186-F385 VanDerWaalsContact CB-CD2 3.49Å; T186-F385 HydrophobicContact CG2-CD2 3.71Å; T186-F385 HydrophobicContact CG2-CE2 3.72Å; T186-F385 HydrophobicContact CG2-CG 4.29Å; T186-F385 HydrophobicContact CG2-CZ 4.33Å; T186-F385 VanDerWaalsContact OG1-CD2 3.29Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.33Å; T186-A411 HydrophobicContact CG2-CB 3.92Å; T186-M415 HydrophobicContact CG2-CE 3.76Å; T186-M415 WeakPolarHBondContact OG1-CE 3.37Å
187L98.3Very high95.3Very high4 Ų427.5 Ų27.52%0.02115%0.146CC..Hα-helixtrans-65-39.1178.6-65.1167.3000111.9W101 Y183 Q191 Y398 M403 F408 A411W101-L187 HydrophobicContact CB-CD1 4.31Å; W101-L187 HydrophobicContact CD2-CB 3.79Å; W101-L187 HydrophobicContact CD2-CD1 3.86Å; W101-L187 HydrophobicContact CD2-CG 4.43Å; W101-L187 HydrophobicContact CE3-CB 4.22Å; W101-L187 HydrophobicContact CE3-CD1 3.64Å; W101-L187 HydrophobicContact CE3-CG 4.44Å; W101-L187 HydrophobicContact CG-CB 4.05Å; W101-L187 HydrophobicContact CG-CD1 4.14Å; W101-L187 HydrophobicContact CZ2-CB 4.23Å; W101-L187 HydrophobicContact CZ3-CD1 4.28Å; Y183-L187 WeakPolarHBondContact O-CB 3.21Å; Y183-L187 WeakPolarHBondContact O-CD1 3.41Å; Y183-L187 VanDerWaalsContact O-CG 3.24Å; Y183-L187 WeakPolarHBondContact O-CG 3.12Å; Y183-L187 PolarHBondContact O-N 3.06Å; L187-Q191 PolarHBondContact O-N 3.11Å; L187-Y398 HydrophobicContact CD1-CD1 4.15Å; L187-Y398 HydrophobicContact CD1-CE1 4.05Å; L187-M403 HydrophobicContact CD1-CE 3.63Å; L187-M403 HydrophobicContact CD1-SD 4.04Å; L187-M403 HydrophobicContact CD2-CE 3.35Å; L187-M403 HydrophobicContact CG-CE 4.14Å; L187-F408 HydrophobicContact CD1-CE1 4.07Å; L187-F408 HydrophobicContact CD1-CZ 4.38Å; L187-A411 HydrophobicContact CD2-CB 3.78Å
188S98.3Very high96.3Very high0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-69.2-41.4175.3-74.70000113.3W101 S145 N184 A185 T186 H190 Q191 L192W101-S188 PolarHBondContact NE1-OG 3.22Å; S145-S188 VanDerWaalsContact CA-OG 3.26Å; S145-S188 WeakPolarHBondContact CA-OG 3.27Å; S145-S188 WeakPolarHBondContact CB-OG 3.37Å; S145-S188 PolarHBondContact O-OG 3.45Å; N184-S188 WeakPolarHBondContact O-CB 3.34Å; N184-S188 PolarHBondContact O-N 2.84Å; N184-S188 PolarHBondContact O-OG 3.09Å; A185-S188 PolarHBondContact O-N 3.17Å; T186-S188 VanDerWaalsContact C-N 3.34Å; T186-S188 PolarHBondContact O-N 2.8Å; S188-H190 VanDerWaalsContact C-N 3.28Å; S188-H190 PolarHBondContact O-N 3.36Å; S188-Q191 PolarHBondContact O-N 3.35Å; S188-Q191 VanDerWaalsContact O-N 3.16Å; S188-L192 VanDerWaalsContact O-CG 3.24Å; S188-L192 WeakPolarHBondContact O-CG 3.2Å; S188-L192 PolarHBondContact O-N 2.74Å
189V98Very high96.9Very high4 Ų418.3 Ų18.32%0.02410%0.096CC..Hα-helixtrans-59.3-44.1176.2168.60000110L139 A185 T186 Q191 L192 V193 F378 M415 L418L139-V189 HydrophobicContact CD1-CG2 4.18Å; A185-V189 WeakPolarHBondContact O-CB 3.24Å; A185-V189 VanDerWaalsContact O-CG2 3.26Å; A185-V189 WeakPolarHBondContact O-CG2 3.14Å; A185-V189 PolarHBondContact O-N 2.75Å; T186-V189 PolarHBondContact O-N 2.89Å; V189-Q191 VanDerWaalsContact C-N 3.28Å; V189-Q191 PolarHBondContact O-N 2.89Å; V189-L192 PolarHBondContact O-N 2.67Å; V189-V193 HydrophobicContact CG1-CG2 4.21Å; V189-V193 VanDerWaalsContact O-CG2 3.32Å; V189-V193 WeakPolarHBondContact O-CG2 3.44Å; V189-V193 PolarHBondContact O-N 3.31Å; V189-F378 HydrophobicContact CG1-CD1 4.24Å; V189-F378 HydrophobicContact CG1-CE1 4.09Å; V189-F378 HydrophobicContact CG2-CD1 4.39Å; V189-F378 HydrophobicContact CG2-CE1 4.18Å; V189-M415 HydrophobicContact CG1-CG 4.49Å; V189-L418 HydrophobicContact CG1-CD2 4.44Å
190H97.9Very high97.4Very high41 Ų4114.5 Ų14.519%0.197%0.073CC..Hα-helixtrans-53-45.9174.7172.984.9000112.1T186 S188 A411 N414T186-H190 PolarHBondContact O-N 2.91Å; S188-H190 VanDerWaalsContact C-N 3.28Å; S188-H190 PolarHBondContact O-N 3.36Å; H190-A411 HydrophobicContact CB-CB 3.67Å; H190-N414 WeakPolarHBondContact ND1-CB 3.46Å; H190-N414 PolarHBondContact ND1-ND2 3.28Å
191Q98Very high97.5Very high35 Ų3514.4 Ų14.416%0.1647%0.072CC..Hα-helixtrans-70-33.6176.6-66-64.8-39.500113.6W101 T149 L187 S188 V189 N195W101-Q191 HydrophobicContact CZ2-CG 4.18Å; T149-Q191 HydrophobicContact CG2-CB 3.91Å; L187-Q191 PolarHBondContact O-N 3.11Å; S188-Q191 PolarHBondContact O-N 3.35Å; S188-Q191 VanDerWaalsContact O-N 3.16Å; V189-Q191 VanDerWaalsContact C-N 3.28Å; V189-Q191 PolarHBondContact O-N 2.89Å; Q191-N195 WeakPolarHBondContact O-CB 3.41Å; Q191-N195 PolarHBondContact O-N 2.8Å; Q191-N195 PolarHBondContact O-ND2 3.32Å; Q191-N195 PolarHBondContact OE1-ND2 3.07Å
192L98.4Very high97.6Very high0 Ų013.8 Ų13.80%07%0.069CC..Hα-helixtrans-68.5-40.6179.8-71.2169.4000112.1L139 I152 T166 S188 V189 E194 N195 T196 T199 H264 F265L139-L192 HydrophobicContact CD1-CD1 4.08Å; L139-L192 HydrophobicContact CD2-CD1 3.73Å; I152-L192 HydrophobicContact CD1-CD2 3.77Å; T166-L192 HydrophobicContact CG2-CD2 3.95Å; S188-L192 VanDerWaalsContact O-CG 3.24Å; S188-L192 WeakPolarHBondContact O-CG 3.2Å; S188-L192 PolarHBondContact O-N 2.74Å; V189-L192 PolarHBondContact O-N 2.67Å; L192-E194 VanDerWaalsContact C-N 3.26Å; L192-E194 PolarHBondContact O-N 2.7Å; L192-N195 PolarHBondContact O-N 3.49Å; L192-T196 HydrophobicContact CB-CG2 4.47Å; L192-T196 HydrophobicContact CD2-CG2 3.54Å; L192-T196 WeakPolarHBondContact O-CB 3.4Å; L192-T196 PolarHBondContact O-N 2.9Å; L192-T196 VanDerWaalsContact O-N 3.08Å; L192-T196 PolarHBondContact O-OG1 3.16Å; L192-T199 HydrophobicContact CD1-CG2 4.34Å; L192-H264 PolarHBondContact O-CE1 3.13Å; L192-H264 PolarHBondContact O-NE2 3.09Å; L192-F265 HydrophobicContact CB-CE1 4.24Å; L192-F265 HydrophobicContact CB-CZ 4.21Å
193V97.9Very high97.6Very high9 Ų913.2 Ų13.26%0.0557%0.066CC..Hα-helixtrans-56-42.4177.8172.10000111.3V189 R262 F265 L418V189-V193 HydrophobicContact CG1-CG2 4.21Å; V189-V193 VanDerWaalsContact O-CG2 3.32Å; V189-V193 WeakPolarHBondContact O-CG2 3.44Å; V189-V193 PolarHBondContact O-N 3.31Å; V193-R262 HydrophobicContact CG1-CG 4.15Å; V193-R262 VanDerWaalsContact CG1-NH1 3.34Å; V193-F265 HydrophobicContact CG2-CE2 3.84Å; V193-F265 HydrophobicContact CG2-CZ 3.74Å; V193-L418 HydrophobicContact CG2-CD1 4.46Å; V193-L418 HydrophobicContact CG2-CD2 3.75Å
194E96Very high97.4Very high107 Ų10714 Ų1450%0.57%0.07SC..Hα-helixtrans-84.9-28.3-174.2-57.6-56.6142.900113.3L192 R262 N414L192-E194 VanDerWaalsContact C-N 3.26Å; L192-E194 PolarHBondContact O-N 2.7Å; E194-R262 IonicContact OE1-NH1 3.95Å; E194-R262 PolarHBondContact OE1-NH1 3.01Å; E194-N414 PolarHBondContact OE1-ND2 3.31Å
195N98Very high97.2Very high22 Ų2215.3 Ų15.312%0.1188%0.076CC..Hα-helixtrans-119.2-3.4-164.2-62.7-76.2000115.2I152 R156 Q191 L192I152-N195 HydrophobicContact CG2-CB 3.37Å; R156-N195 HydrophobicContact CB-CB 4.43Å; R156-N195 PolarHBondContact NE-O 3.39Å; R156-N195 PolarHBondContact NH2-O 2.85Å; Q191-N195 WeakPolarHBondContact O-CB 3.41Å; Q191-N195 PolarHBondContact O-N 2.8Å; Q191-N195 PolarHBondContact O-ND2 3.32Å; Q191-N195 PolarHBondContact OE1-ND2 3.07Å; L192-N195 PolarHBondContact O-N 3.49Å
196T98.1Very high97.1Very high7 Ų715.7 Ų15.74%0.0438%0.079CC..  trans-118.9149.2-178.3700000112.8I152 M164 T166 L192 T199 H264I152-T196 HydrophobicContact CD1-CG2 4.23Å; I152-T196 HydrophobicContact CG2-CG2 3.78Å; M164-T196 HydrophobicContact CG-CG2 3.84Å; T166-T196 HydrophobicContact CG2-CG2 3.62Å; L192-T196 HydrophobicContact CB-CG2 4.47Å; L192-T196 HydrophobicContact CD2-CG2 3.54Å; L192-T196 WeakPolarHBondContact O-CB 3.4Å; L192-T196 PolarHBondContact O-N 2.9Å; L192-T196 VanDerWaalsContact O-N 3.08Å; L192-T196 PolarHBondContact O-OG1 3.16Å; T196-T199 PolarHBondContact OG1-OG1 3.45Å; T196-H264 PolarHBondContact OG1-CE1 3.49Å; T196-H264 PolarHBondContact OG1-ND1 3.16Å
197D98Very high97Very high44 Ų4415.8 Ų15.824%0.2358%0.08CC..SBendtrans-103.1-21.4177.8-44.6-80.8000112.4R156 I163 M164 H264R156-D197 IonicContact CZ-OD1 2.71Å; R156-D197 IonicContact CZ-OD2 3.17Å; R156-D197 IonicContact NH1-OD1 3Å; R156-D197 IonicContact NH1-OD2 2.75Å; R156-D197 PolarHBondContact NH1-OD2 3.03Å; R156-D197 IonicContact NH2-OD1 3.36Å; R156-D197 PolarHBondContact NH2-OD1 2.99Å; R156-D197 IonicContact NH2-OD2 2.84Å; R156-D197 PolarHBondContact NH2-OD2 3.05Å; I163-D197 VanDerWaalsContact CA-OD2 3.26Å; I163-D197 WeakPolarHBondContact CA-OD2 3.26Å; I163-D197 HydrophobicContact CD1-CB 4.12Å; I163-D197 HydrophobicContact CG2-CB 4.19Å; M164-D197 PolarHBondContact N-OD2 2.97Å; M164-D197 PolarHBondContact O-N 2.91Å; D197-H264 WeakPolarHBondContact O-CB 3.32Å
198E97.6Very high96.8Very high0 Ų019.8 Ų19.80%010%0.095CC..EExtended strand (participates in β ladder)trans-144.4116.3-179.7-64.2-176.3-178.400108.4M164 N165 T166 Y200 L253 A254 F266M164-E198 PolarHBondContact O-N 3.26Å; N165-E198 CarbonylContact C-O 3.52Å; N165-E198 VanDerWaalsContact CA-O 3.31Å; N165-E198 WeakPolarHBondContact CA-O 3.29Å; N165-E198 HydrophobicContact CB-CB 4.22Å; N165-E198 PolarHBondContact OD1-O 3.21Å; T166-E198 PolarHBondContact N-O 3.42Å; E198-Y200 HydrophobicContact CB-CE2 4.19Å; E198-L253 WeakPolarHBondContact OE1-CB 3.39Å; E198-A254 HydrophobicContact CG-CB 4.11Å; E198-A254 WeakPolarHBondContact OE1-CA 3.4Å; E198-A254 WeakPolarHBondContact OE1-CB 3.39Å; E198-A254 PolarHBondContact OE1-N 3.3Å; E198-F266 HydrophobicContact CB-CE2 3.82Å; E198-F266 HydrophobicContact CG-CE2 3.9Å; E198-F266 HydrophobicContact CG-CZ 4.43Å
199T98.4Very high96.6Very high1 Ų122 Ų221%0.00611%0.107CC..EExtended strand (participates in β ladder)trans-123.9107.5177.3-75.20000110.4T166 L192 T196 C201 H264 F265 F266T166-T199 WeakPolarHBondContact OG1-CG2 3.32Å; T166-T199 PolarHBondContact OG1-OG1 3.25Å; L192-T199 HydrophobicContact CD1-CG2 4.34Å; T196-T199 PolarHBondContact OG1-OG1 3.45Å; T199-C201 PolarHBondContact O-N 3.37Å; T199-H264 PolarHBondContact N-O 3.3Å; T199-F265 HydrophobicContact CG2-CD1 3.5Å; T199-F265 VanDerWaalsContact CG2-CD1 3.5Å; T199-F265 HydrophobicContact CG2-CE1 3.69Å; T199-F265 CarbonylContact O-C 3.18Å; T199-F265 WeakPolarHBondContact O-CA 3.18Å; T199-F266 PolarHBondContact O-N 2.79Å
200Y98.2Very high96.5Very high0 Ų021.9 Ų21.90%011%0.106CC..EExtended strand (participates in β ladder)trans-82.1106.9174.3-64.5-93.6000109.3N165 T166 F167 S168 E198 I202 V236 L253 F266 P268 I368N165-Y200 WeakPolarHBondContact OD1-CD2 3.41Å; N165-Y200 WeakPolarHBondContact OD1-CE2 3.29Å; T166-Y200 WeakPolarHBondContact O-CD2 3.24Å; T166-Y200 PolarHBondContact O-N 2.95Å; F167-Y200 VanDerWaalsContact CD1-CB 3.47Å; F167-Y200 HydrophobicContact CD1-CD2 4.08Å; F167-Y200 AromaticContact CD1-CG 3.83Å; F167-Y200 HydrophobicContact CD1-CG 3.83Å; F167-Y200 HydrophobicContact CE1-CD1 4.09Å; F167-Y200 AromaticContact CE1-CD2 3.78Å; F167-Y200 HydrophobicContact CE1-CD2 3.78Å; F167-Y200 HydrophobicContact CE1-CE2 4.45Å; F167-Y200 AromaticContact CE1-CG 3.59Å; F167-Y200 HydrophobicContact CE1-CG 3.59Å; F167-Y200 HydrophobicContact CZ-CD2 4.25Å; F167-Y200 HydrophobicContact CZ-CG 4.47Å; S168-Y200 PolarHBondContact N-O 2.79Å; E198-Y200 HydrophobicContact CB-CE2 4.19Å; Y200-I202 PolarHBondContact O-N 3.15Å; Y200-V236 HydrophobicContact CD1-CG2 4.17Å; Y200-V236 HydrophobicContact CE1-CB 4.45Å; Y200-V236 HydrophobicContact CE1-CG1 3.78Å; Y200-V236 HydrophobicContact CE1-CG2 3.72Å; Y200-V236 HydrophobicContact CE2-CG1 4.12Å; Y200-V236 VanDerWaalsContact CZ-CG1 3.48Å; Y200-V236 WeakPolarHBondContact OH-CG1 3.41Å; Y200-L253 WeakPolarHBondContact OH-CD2 3.3Å; Y200-F266 HydrophobicContact CD1-CB 4.08Å; Y200-F266 HydrophobicContact CD1-CD2 4.08Å; Y200-F266 HydrophobicContact CD2-CD2 4.34Å; Y200-F266 HydrophobicContact CE1-CB 4.34Å; Y200-F266 AromaticContact CE1-CD2 3.76Å; Y200-F266 HydrophobicContact CE1-CD2 3.76Å; Y200-F266 HydrophobicContact CE1-CG 4.45Å; Y200-F266 AromaticContact CE2-CD2 3.99Å; Y200-F266 HydrophobicContact CE2-CD2 3.99Å; Y200-F266 HydrophobicContact CE2-CE2 4.37Å; Y200-F266 HydrophobicContact CG-CD2 4.36Å; Y200-F266 AromaticContact CZ-CD2 3.69Å; Y200-P268 HydrophobicContact CD1-CB 4.24Å; Y200-I368 HydrophobicContact CD1-CG2 4.48Å; Y200-I368 HydrophobicContact CE1-CD1 3.96Å; Y200-I368 HydrophobicContact CE1-CG1 4.03Å; Y200-I368 HydrophobicContact CE1-CG2 3.74Å
201C97.8Very high96.3Very high3 Ų320 Ų202%0.0210%0.097CC..EExtended strand (participates in β ladder)trans-78.6120.6179.6-65.30000110.8V170 T199 F266 P268 I374 L377V170-C201 HydrophobicContact CG2-CB 4.45Å; T199-C201 PolarHBondContact O-N 3.37Å; C201-F266 PolarHBondContact N-O 3.32Å; C201-P268 WeakPolarHBondContact O-CD 3.39Å; C201-I374 HydrophobicContact CB-CD1 4.03Å; C201-L377 HydrophobicContact CB-CD1 4.42Å
202I97.3Very high96.1Very high1 Ų123 Ų231%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-121106.3-179.9-61.7163.1000108.3F167 S168 V169 V170 Y200 L207 V229 P268 M300F167-I202 HydrophobicContact CB-CD1 3.96Å; F167-I202 HydrophobicContact CD1-CD1 4.05Å; F167-I202 HydrophobicContact CG-CD1 4.47Å; S168-I202 PolarHBondContact O-N 3.31Å; V169-I202 CarbonylContact C-O 3.44Å; V169-I202 WeakPolarHBondContact CA-O 3.48Å; V169-I202 HydrophobicContact CG2-CB 4.35Å; V169-I202 HydrophobicContact CG2-CG2 4.34Å; V170-I202 PolarHBondContact N-O 3.01Å; Y200-I202 PolarHBondContact O-N 3.15Å; I202-L207 HydrophobicContact CG2-CD1 3.5Å; I202-L207 VanDerWaalsContact CG2-CD1 3.5Å; I202-L207 HydrophobicContact CG2-CD2 4.21Å; I202-L207 HydrophobicContact CG2-CG 3.99Å; I202-V229 HydrophobicContact CD1-CG1 3.59Å; I202-V229 HydrophobicContact CD1-CG2 4.42Å; I202-V229 HydrophobicContact CG2-CG2 3.63Å; I202-P268 HydrophobicContact CG1-CG 4.3Å; I202-M300 CarbonylContact C-O 3.43Å
203D95.2Very high95.9Very high0 Ų030.9 Ų30.90%014%0.14CC..EExtended strand (participates in β ladder)trans-92.5121.6-178-172.6-15.5000111.4E205 A206 L207 M300 A302 L377 R380D203-E205 PolarHBondContact O-N 3.29Å; D203-E205 VanDerWaalsContact OD1-CB 3.22Å; D203-E205 WeakPolarHBondContact OD1-CB 3.44Å; D203-E205 PolarHBondContact OD1-N 3.42Å; D203-A206 HydrophobicContact CB-CB 4.1Å; D203-A206 PolarHBondContact O-N 2.83Å; D203-A206 VanDerWaalsContact O-N 3.09Å; D203-L207 WeakPolarHBondContact O-CG 3.4Å; D203-L207 PolarHBondContact O-N 2.76Å; D203-M300 WeakPolarHBondContact CB-O 3.29Å; D203-M300 PolarHBondContact N-O 2.95Å; D203-A302 WeakPolarHBondContact OD2-CB 3.48Å; D203-A302 PolarHBondContact OD2-N 3.34Å; D203-L377 HydrophobicContact CB-CD1 4.5Å; D203-R380 IonicContact OD1-NH1 3.27Å; D203-R380 IonicContact OD1-NH2 3.87Å; D203-R380 IonicContact OD2-CZ 2.86Å; D203-R380 VanDerWaalsContact OD2-CZ 3.24Å; D203-R380 IonicContact OD2-NH1 2.77Å; D203-R380 PolarHBondContact OD2-NH1 3.49Å; D203-R380 IonicContact OD2-NH2 2.78Å; D203-R380 PolarHBondContact OD2-NH2 2.87Å
204N93.1Very high95.7Very high15 Ų1532.1 Ų32.18%0.0815%0.148CC..Hα-helixtrans-57.1-30.7175.3-81.7-27000113.1V169 V170 V175 Y208V169-N204 WeakPolarHBondContact CG1-OD1 3.33Å; V170-N204 PolarHBondContact O-N 3.02Å; V175-N204 HydrophobicContact CB-CB 4.41Å; V175-N204 HydrophobicContact CG1-CB 4.41Å; N204-Y208 VanDerWaalsContact O-CB 3.26Å; N204-Y208 WeakPolarHBondContact O-CB 3.49Å; N204-Y208 PolarHBondContact O-N 2.75Å
205E92.7Very high95.5Very high28 Ų2829 Ų2913%0.13113%0.134CC..Hα-helixtrans-63.5-48.7174.5-166.5167.6163.800111.5S172 K174 D203 Y208 D209 A302 R380S172-E205 WeakPolarHBondContact OG-CB 3.4Å; S172-E205 PolarHBondContact OG-OE2 2.84Å; S172-E205 VanDerWaalsContact OG-OE2 3.11Å; K174-E205 HydrophobicContact CD-CG 4.25Å; K174-E205 WeakPolarHBondContact CE-OE1 3.26Å; K174-E205 IonicContact NZ-OE1 3.48Å; K174-E205 PolarHBondContact NZ-OE1 3.01Å; D203-E205 PolarHBondContact O-N 3.29Å; D203-E205 VanDerWaalsContact OD1-CB 3.22Å; D203-E205 WeakPolarHBondContact OD1-CB 3.44Å; D203-E205 PolarHBondContact OD1-N 3.42Å; E205-Y208 PolarHBondContact O-N 3.37Å; E205-D209 PolarHBondContact O-N 3.27Å; E205-A302 HydrophobicContact CB-CB 4.37Å; E205-R380 IonicContact OE2-CZ 2.81Å; E205-R380 IonicContact OE2-NH1 2.86Å; E205-R380 PolarHBondContact OE2-NH1 2.86Å
206A94.8Very high95.3Very high9 Ų934.7 Ų34.77%0.07416%0.158CC..Hα-helixtrans-66.5-43.2-179.800000111.2D203 Y208 D209 I210 A302D203-A206 HydrophobicContact CB-CB 4.1Å; D203-A206 PolarHBondContact O-N 2.83Å; D203-A206 VanDerWaalsContact O-N 3.09Å; A206-Y208 VanDerWaalsContact C-N 3.34Å; A206-Y208 PolarHBondContact O-N 2.83Å; A206-D209 PolarHBondContact O-N 2.99Å; A206-I210 WeakPolarHBondContact O-CG1 3.17Å; A206-I210 PolarHBondContact O-N 3.43Å; A206-A302 HydrophobicContact CB-CB 4.24Å
207L95.4Very high95.1Very high2 Ų236 Ų361%0.0116%0.164CC..Hα-helixtrans-59.7-44.9175.2-66.4177.8000111.8I202 D203 I210 C211 L225 L228 V229 M300I202-L207 HydrophobicContact CG2-CD1 3.5Å; I202-L207 VanDerWaalsContact CG2-CD1 3.5Å; I202-L207 HydrophobicContact CG2-CD2 4.21Å; I202-L207 HydrophobicContact CG2-CG 3.99Å; D203-L207 WeakPolarHBondContact O-CG 3.4Å; D203-L207 PolarHBondContact O-N 2.76Å; L207-I210 PolarHBondContact O-N 3.22Å; L207-C211 WeakPolarHBondContact O-CB 3.41Å; L207-C211 PolarHBondContact O-N 3.42Å; L207-C211 PolarHBondContact O-SG 2.88Å; L207-C211 VanDerWaalsContact O-SG 3.42Å; L207-L225 HydrophobicContact CB-CB 4.45Å; L207-L225 HydrophobicContact CB-CD2 4.13Å; L207-L225 HydrophobicContact CB-CG 3.88Å; L207-L225 HydrophobicContact CD1-CB 4.25Å; L207-L225 HydrophobicContact CD1-CG 4.45Å; L207-L228 HydrophobicContact CD2-CB 4.49Å; L207-L228 HydrophobicContact CD2-CD2 3.72Å; L207-L228 HydrophobicContact CD2-CG 4.07Å; L207-V229 HydrophobicContact CD1-CG2 3.61Å; L207-V229 HydrophobicContact CD2-CG2 4.01Å; L207-V229 HydrophobicContact CG-CG2 4.48Å; L207-M300 HydrophobicContact CD2-CB 4.16Å; L207-M300 HydrophobicContact CD2-CG 3.98Å; L207-M300 HydrophobicContact CD2-SD 3.84Å
208Y93.8Very high94.8Very high87 Ų8739.8 Ų39.834%0.34119%0.189SC..Hα-helixtrans-61.5-46177.3-174.3-86.6000111.4V175 N204 E205 A206 I210 C211 F212 P220V175-Y208 HydrophobicContact CG2-CG 4.45Å; N204-Y208 VanDerWaalsContact O-CB 3.26Å; N204-Y208 WeakPolarHBondContact O-CB 3.49Å; N204-Y208 PolarHBondContact O-N 2.75Å; E205-Y208 PolarHBondContact O-N 3.37Å; A206-Y208 VanDerWaalsContact C-N 3.34Å; A206-Y208 PolarHBondContact O-N 2.83Å; Y208-I210 PolarHBondContact O-N 3.15Å; Y208-C211 PolarHBondContact O-N 2.92Å; Y208-F212 HydrophobicContact CD1-CB 4.37Å; Y208-F212 HydrophobicContact CE1-CB 4.12Å; Y208-F212 HydrophobicContact CE1-CG 4.37Å; Y208-F212 VanDerWaalsContact O-CB 3.27Å; Y208-F212 WeakPolarHBondContact O-CB 3.46Å; Y208-F212 PolarHBondContact O-N 3.41Å; Y208-P220 HydrophobicContact CD2-CB 4.02Å; Y208-P220 HydrophobicContact CD2-CG 4.17Å; Y208-P220 HydrophobicContact CE2-CB 3.99Å; Y208-P220 HydrophobicContact CE2-CG 3.9Å
209D94.1Very high94.5Very high48 Ų4844.9 Ų44.926%0.25722%0.22SC..Hα-helixtrans-63.9-38.5178.2-95.4-25000112.3E205 A206 R213E205-D209 PolarHBondContact O-N 3.27Å; A206-D209 PolarHBondContact O-N 2.99Å; D209-R213 VanDerWaalsContact O-CB 3.26Å; D209-R213 WeakPolarHBondContact O-CB 3.12Å; D209-R213 WeakPolarHBondContact O-CG 3.31Å; D209-R213 PolarHBondContact O-N 3.06Å; D209-R213 IonicContact OD1-CZ 2.56Å; D209-R213 VanDerWaalsContact OD1-CZ 3.3Å; D209-R213 IonicContact OD1-NE 3.81Å; D209-R213 PolarHBondContact OD1-NE 3.17Å; D209-R213 IonicContact OD1-NH2 2.76Å; D209-R213 PolarHBondContact OD1-NH2 3.05Å; D209-R213 IonicContact OD2-CZ 3.55Å; D209-R213 IonicContact OD2-NE 3.05Å; D209-R213 IonicContact OD2-NH2 3.51Å; D209-R213 PolarHBondContact OD2-NH2 2.95Å
210I95.3Very high94.2Very high1 Ų145.8 Ų45.81%0.00523%0.226CC..Iπ-helixtrans-60.8-51172.8-70.9165.2000110.3A206 L207 Y208 F212 T214 L215 L228 L273 K297 M300A206-I210 WeakPolarHBondContact O-CG1 3.17Å; A206-I210 PolarHBondContact O-N 3.43Å; L207-I210 PolarHBondContact O-N 3.22Å; Y208-I210 PolarHBondContact O-N 3.15Å; I210-F212 PolarHBondContact O-N 2.92Å; I210-T214 WeakPolarHBondContact O-CA 3.34Å; I210-T214 VanDerWaalsContact O-CB 3.26Å; I210-T214 WeakPolarHBondContact O-CB 3.09Å; I210-T214 PolarHBondContact O-N 3.22Å; I210-L215 HydrophobicContact CG2-CD1 4.46Å; I210-L215 HydrophobicContact CG2-CG 4.34Å; I210-L215 PolarHBondContact O-N 3.15Å; I210-L228 HydrophobicContact CB-CD2 4.03Å; I210-L228 HydrophobicContact CD1-CD2 3.99Å; I210-L228 HydrophobicContact CG2-CD2 3.56Å; I210-L273 HydrophobicContact CD1-CD1 4.46Å; I210-L273 HydrophobicContact CG2-CD1 3.79Å; I210-L273 HydrophobicContact CG2-CD2 3.97Å; I210-L273 HydrophobicContact CG2-CG 4.41Å; I210-K297 VanDerWaalsContact CG1-O 3.25Å; I210-K297 WeakPolarHBondContact CG1-O 3.38Å; I210-M300 HydrophobicContact CD1-CG 4.32Å
211C94.7Very high94Very high0 Ų049.4 Ų49.40%025%0.249CC..Iπ-helixtrans-61.2-45.6-179.9-74.50000111.9L207 Y208 L215 K216 L217 P220 L225L207-C211 WeakPolarHBondContact O-CB 3.41Å; L207-C211 PolarHBondContact O-N 3.42Å; L207-C211 PolarHBondContact O-SG 2.88Å; L207-C211 VanDerWaalsContact O-SG 3.42Å; Y208-C211 PolarHBondContact O-N 2.92Å; C211-L215 CarbonylContact O-C 3.39Å; C211-L215 WeakPolarHBondContact O-CB 3.35Å; C211-K216 PolarHBondContact O-N 3.41Å; C211-L217 HydrophobicContact CB-CD1 4.09Å; C211-L217 WeakPolarHBondContact O-CB 3.46Å; C211-L217 WeakPolarHBondContact O-CG 3.5Å; C211-L217 PolarHBondContact O-N 3.46Å; C211-P220 HydrophobicContact CB-CB 3.66Å; C211-P220 HydrophobicContact CB-CG 3.76Å; C211-L225 HydrophobicContact CB-CD1 4.49Å
212F94.2Very high93.7Very high98 Ų9854.6 Ų54.643%0.4327%0.269SS..Iπ-helixtrans-73.7-52.3-176.3-176.9-109.7000112.5Y208 I210 K216 L217 P220Y208-F212 HydrophobicContact CD1-CB 4.37Å; Y208-F212 HydrophobicContact CE1-CB 4.12Å; Y208-F212 HydrophobicContact CE1-CG 4.37Å; Y208-F212 VanDerWaalsContact O-CB 3.27Å; Y208-F212 WeakPolarHBondContact O-CB 3.46Å; Y208-F212 PolarHBondContact O-N 3.41Å; I210-F212 PolarHBondContact O-N 2.92Å; F212-K216 VanDerWaalsContact O-CA 3.29Å; F212-K216 WeakPolarHBondContact O-CA 3.16Å; F212-K216 PolarHBondContact O-N 2.89Å; F212-L217 VanDerWaalsContact CD2-O 3.29Å; F212-L217 WeakPolarHBondContact CD2-O 3.01Å; F212-P220 HydrophobicContact CB-CG 3.97Å
213R93.1Very high93.5Very high166 Ų16656.9 Ų56.963%0.62629%0.292SS*.Iπ-helixtrans-87.5-47-171.7-55.2-174.2-166-163.810.5112.5D209D209-R213 VanDerWaalsContact O-CB 3.26Å; D209-R213 WeakPolarHBondContact O-CB 3.12Å; D209-R213 WeakPolarHBondContact O-CG 3.31Å; D209-R213 PolarHBondContact O-N 3.06Å; D209-R213 IonicContact OD1-CZ 2.56Å; D209-R213 VanDerWaalsContact OD1-CZ 3.3Å; D209-R213 IonicContact OD1-NE 3.81Å; D209-R213 PolarHBondContact OD1-NE 3.17Å; D209-R213 IonicContact OD1-NH2 2.76Å; D209-R213 PolarHBondContact OD1-NH2 3.05Å; D209-R213 IonicContact OD2-CZ 3.55Å; D209-R213 IonicContact OD2-NE 3.05Å; D209-R213 IonicContact OD2-NH2 3.51Å; D209-R213 PolarHBondContact OD2-NH2 2.95Å
214T93Very high93.4Very high36 Ų3658.7 Ų58.722%0.22130%0.302CS..Iπ-helixtrans-83.9-49-172.7-54.20000111.2I210 K216 L273I210-T214 WeakPolarHBondContact O-CA 3.34Å; I210-T214 VanDerWaalsContact O-CB 3.26Å; I210-T214 WeakPolarHBondContact O-CB 3.09Å; I210-T214 PolarHBondContact O-N 3.22Å; T214-K216 VanDerWaalsContact C-N 3.31Å; T214-L273 HydrophobicContact CG2-CB 3.69Å
215L93.7Very high93.5Very high40 Ų4058.1 Ų58.121%0.20930%0.299CS..SBendtrans-82.3-10.6178.6-56.2-178000113.3I210 C211 L217 L273 S275I210-L215 HydrophobicContact CG2-CD1 4.46Å; I210-L215 HydrophobicContact CG2-CG 4.34Å; I210-L215 PolarHBondContact O-N 3.15Å; C211-L215 CarbonylContact O-C 3.39Å; C211-L215 WeakPolarHBondContact O-CB 3.35Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 HydrophobicContact CB-CD1 4.48Å; L215-L217 HydrophobicContact CB-CG 4.08Å; L215-L217 PolarHBondContact O-N 3.15Å; L215-L273 HydrophobicContact CD2-CB 4.2Å; L215-L273 HydrophobicContact CD2-CD2 4.24Å; L215-S275 VanDerWaalsContact O-CB 3.3Å; L215-S275 WeakPolarHBondContact O-CB 3.47Å
216K93.6Very high93.6Very high142 Ų14257.5 Ų57.562%0.61730%0.296SS*.  trans59.737178.4-56.7-178.1179.5179.10113.2C211 F212 T214C211-K216 PolarHBondContact O-N 3.41Å; F212-K216 VanDerWaalsContact O-CA 3.29Å; F212-K216 WeakPolarHBondContact O-CA 3.16Å; F212-K216 PolarHBondContact O-N 2.89Å; T214-K216 VanDerWaalsContact C-N 3.31Å
217L93.2Very high93.6Very high35 Ų3561.9 Ų61.918%0.18332%0.315CS..  trans-81.8124.5173.2-55.4-177.7000108.9C211 F212 L215 P220 D224C211-L217 HydrophobicContact CB-CD1 4.09Å; C211-L217 WeakPolarHBondContact O-CB 3.46Å; C211-L217 WeakPolarHBondContact O-CG 3.5Å; C211-L217 PolarHBondContact O-N 3.46Å; F212-L217 VanDerWaalsContact CD2-O 3.29Å; F212-L217 WeakPolarHBondContact CD2-O 3.01Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 HydrophobicContact CB-CD1 4.48Å; L215-L217 HydrophobicContact CB-CG 4.08Å; L215-L217 PolarHBondContact O-N 3.15Å; L217-P220 HydrophobicContact CB-CG 4.28Å; L217-D224 HydrophobicContact CD1-CB 3.88Å
218T91.4Very high93.6Very high123 Ų12362.2 Ų62.276%0.75532%0.317SS*.SBendtrans-70.8-32.2-176.949.30000113.1
219T91.3Very high93.7Very high107 Ų10758.1 Ų58.166%0.65630%0.301SS*.SBendtrans-137.579.8178.452.30000108.7T221T219-T221 PolarHBondContact O-N 2.77Å
220P92.8Very high93.8Very high20 Ų2055.8 Ų55.813%0.1329%0.288CS..  trans-54132.7174.7-2534.7000111.1Y208 C211 F212 L217 L225Y208-P220 HydrophobicContact CD2-CB 4.02Å; Y208-P220 HydrophobicContact CD2-CG 4.17Å; Y208-P220 HydrophobicContact CE2-CB 3.99Å; Y208-P220 HydrophobicContact CE2-CG 3.9Å; C211-P220 HydrophobicContact CB-CB 3.66Å; C211-P220 HydrophobicContact CB-CG 3.76Å; F212-P220 HydrophobicContact CB-CG 3.97Å; L217-P220 HydrophobicContact CB-CG 4.28Å; P220-L225 HydrophobicContact CB-CD1 3.96Å
221T92.8Very high93.8Very high76 Ų7656.6 Ų56.647%0.46630%0.295SS..  trans-108.6159.7175.668.30000110.4T219 G223 D224 L225T219-T221 PolarHBondContact O-N 2.77Å; T221-G223 PolarHBondContact O-N 3.26Å; T221-G223 VanDerWaalsContact O-N 3.08Å; T221-G223 PolarHBondContact OG1-N 3.14Å; T221-D224 WeakPolarHBondContact CB-OD2 3.12Å; T221-D224 PolarHBondContact N-OD2 3.01Å; T221-D224 WeakPolarHBondContact O-CA 3.22Å; T221-D224 WeakPolarHBondContact O-CB 3.2Å; T221-D224 PolarHBondContact O-N 2.76Å; T221-D224 PolarHBondContact OG1-N 2.83Å; T221-D224 PolarHBondContact OG1-OD2 3.02Å; T221-L225 WeakPolarHBondContact O-CD1 3.46Å; T221-L225 PolarHBondContact O-N 3Å; T221-L225 VanDerWaalsContact O-N 3.13Å
222Y91.1Very high93.8Very high113 Ų11356.7 Ų56.744%0.44330%0.295SS..Hα-helixtrans-55.1-27.9172-75.9-67.8000112.9D224 L225 N226Y222-D224 VanDerWaalsContact C-N 3.35Å; Y222-D224 PolarHBondContact O-N 2.79Å; Y222-L225 HydrophobicContact CD1-CD2 4.26Å; Y222-L225 HydrophobicContact CE1-CD2 4.48Å; Y222-L225 PolarHBondContact O-N 3.15Å; Y222-N226 WeakPolarHBondContact O-CB 3.45Å; Y222-N226 PolarHBondContact O-N 3.14Å; Y222-N226 PolarHBondContact O-ND2 3.17Å; Y222-N226 PolarHBondContact O-OD1 3.02Å
223G93.1Very high94Very high48 Ų4852 Ų5250%0.49528%0.275SS..Hα-helixtrans-63.1-38.1172.100000113.3T221 H227T221-G223 PolarHBondContact O-N 3.26Å; T221-G223 VanDerWaalsContact O-N 3.08Å; T221-G223 PolarHBondContact OG1-N 3.14Å; G223-H227 WeakPolarHBondContact O-CB 3.44Å; G223-H227 PolarHBondContact O-N 3.45Å; G223-H227 VanDerWaalsContact O-N 3.08Å
224D94Very high94.1Very high38 Ų3844.1 Ų44.120%0.20325%0.245CC..Hα-helixtrans-69.6-43175.7-57.9-67.6000111.3L217 T221 Y222 H227 L228L217-D224 HydrophobicContact CD1-CB 3.88Å; T221-D224 WeakPolarHBondContact CB-OD2 3.12Å; T221-D224 PolarHBondContact N-OD2 3.01Å; T221-D224 WeakPolarHBondContact O-CA 3.22Å; T221-D224 WeakPolarHBondContact O-CB 3.2Å; T221-D224 PolarHBondContact O-N 2.76Å; T221-D224 PolarHBondContact OG1-N 2.83Å; T221-D224 PolarHBondContact OG1-OD2 3.02Å; Y222-D224 VanDerWaalsContact C-N 3.35Å; Y222-D224 PolarHBondContact O-N 2.79Å; D224-H227 PolarHBondContact O-N 2.94Å; D224-L228 PolarHBondContact O-N 3.12Å
225L94.8Very high94.1Very high4 Ų442.4 Ų42.42%0.02124%0.235CC..Hα-helixtrans-62.6-50.3177.4-80.465.4000110.4L207 C211 P220 T221 Y222 H227 L228 V229L207-L225 HydrophobicContact CB-CB 4.45Å; L207-L225 HydrophobicContact CB-CD2 4.13Å; L207-L225 HydrophobicContact CB-CG 3.88Å; L207-L225 HydrophobicContact CD1-CB 4.25Å; L207-L225 HydrophobicContact CD1-CG 4.45Å; C211-L225 HydrophobicContact CB-CD1 4.49Å; P220-L225 HydrophobicContact CB-CD1 3.96Å; T221-L225 WeakPolarHBondContact O-CD1 3.46Å; T221-L225 PolarHBondContact O-N 3Å; T221-L225 VanDerWaalsContact O-N 3.13Å; Y222-L225 HydrophobicContact CD1-CD2 4.26Å; Y222-L225 HydrophobicContact CE1-CD2 4.48Å; Y222-L225 PolarHBondContact O-N 3.15Å; L225-H227 VanDerWaalsContact C-N 3.26Å; L225-H227 PolarHBondContact O-N 3.43Å; L225-L228 WeakPolarHBondContact O-CB 3.29Å; L225-L228 PolarHBondContact O-N 3.3Å; L225-V229 WeakPolarHBondContact O-CG2 3.43Å; L225-V229 PolarHBondContact O-N 2.9Å
226N94.8Very high94.1Very high14 Ų1440.7 Ų40.78%0.07523%0.226CC..Hα-helixtrans-62.4-33.8179.4-66.7-11.1000111.9I16 Y222 V229 S230I16-N226 HydrophobicContact CG1-CB 4.2Å; I16-N226 VanDerWaalsContact CG1-OD1 3.29Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.48Å; Y222-N226 WeakPolarHBondContact O-CB 3.45Å; Y222-N226 PolarHBondContact O-N 3.14Å; Y222-N226 PolarHBondContact O-ND2 3.17Å; Y222-N226 PolarHBondContact O-OD1 3.02Å; N226-V229 PolarHBondContact O-N 2.91Å; N226-S230 VanDerWaalsContact O-CB 3.3Å; N226-S230 WeakPolarHBondContact O-CB 2.97Å; N226-S230 PolarHBondContact O-N 3.24Å; N226-S230 PolarHBondContact O-OG 3.29Å
227H94.7Very high94.1Very high102 Ų10234 Ų3447%0.47220%0.197SC..Hα-helixtrans-62.3-45.1173.3179.853.1000111.5G223 D224 L225 S230 A231G223-H227 WeakPolarHBondContact O-CB 3.44Å; G223-H227 PolarHBondContact O-N 3.45Å; G223-H227 VanDerWaalsContact O-N 3.08Å; D224-H227 PolarHBondContact O-N 2.94Å; L225-H227 VanDerWaalsContact C-N 3.26Å; L225-H227 PolarHBondContact O-N 3.43Å; H227-S230 WeakPolarHBondContact CA-OG 3.43Å; H227-S230 PolarHBondContact O-N 2.99Å; H227-S230 PolarHBondContact O-OG 3.42Å; H227-A231 PolarHBondContact O-N 2.99Å
228L94.9Very high94Very high9 Ų932.3 Ų32.35%0.04719%0.188CC..Hα-helixtrans-63.7-41.7177.9-179.658.3000112.3L207 I210 D224 L225 A231 T232 F270 L273 M300L207-L228 HydrophobicContact CD2-CB 4.49Å; L207-L228 HydrophobicContact CD2-CD2 3.72Å; L207-L228 HydrophobicContact CD2-CG 4.07Å; I210-L228 HydrophobicContact CB-CD2 4.03Å; I210-L228 HydrophobicContact CD1-CD2 3.99Å; I210-L228 HydrophobicContact CG2-CD2 3.56Å; D224-L228 PolarHBondContact O-N 3.12Å; L225-L228 WeakPolarHBondContact O-CB 3.29Å; L225-L228 PolarHBondContact O-N 3.3Å; L228-A231 PolarHBondContact O-N 2.84Å; L228-T232 PolarHBondContact O-N 3.5Å; L228-T232 PolarHBondContact O-OG1 2.79Å; L228-F270 HydrophobicContact CD1-CB 4.31Å; L228-L273 HydrophobicContact CD1-CD2 3.66Å; L228-M300 HydrophobicContact CD1-CE 3.41Å; L228-M300 VanDerWaalsContact CD1-CE 3.41Å; L228-M300 HydrophobicContact CD2-CE 4.02Å; L228-M300 HydrophobicContact CG-CE 3.41Å; L228-M300 VanDerWaalsContact CG-CE 3.41Å; L228-M300 HydrophobicContact CG-SD 4.21Å
229V97Very high93.8Very high0 Ų026.7 Ų26.70%015%0.154CC..Hα-helixtrans-61.4-48.6173.61770000111.1I16 I202 L207 L225 N226 A231 T232 M233I16-V229 HydrophobicContact CD1-CG1 4.23Å; I16-V229 HydrophobicContact CG1-CG1 4.49Å; I16-V229 HydrophobicContact CG2-CB 4.25Å; I16-V229 HydrophobicContact CG2-CG1 3.55Å; I202-V229 HydrophobicContact CD1-CG1 3.59Å; I202-V229 HydrophobicContact CD1-CG2 4.42Å; I202-V229 HydrophobicContact CG2-CG2 3.63Å; L207-V229 HydrophobicContact CD1-CG2 3.61Å; L207-V229 HydrophobicContact CD2-CG2 4.01Å; L207-V229 HydrophobicContact CG-CG2 4.48Å; L225-V229 WeakPolarHBondContact O-CG2 3.43Å; L225-V229 PolarHBondContact O-N 2.9Å; N226-V229 PolarHBondContact O-N 2.91Å; V229-A231 VanDerWaalsContact C-N 3.31Å; V229-A231 PolarHBondContact O-N 2.98Å; V229-T232 WeakPolarHBondContact O-CA 3.18Å; V229-T232 WeakPolarHBondContact O-CB 3.46Å; V229-T232 PolarHBondContact O-N 2.99Å; V229-M233 HydrophobicContact CG1-CG 4.12Å; V229-M233 HydrophobicContact CG1-SD 3.83Å; V229-M233 WeakPolarHBondContact O-CG 3.28Å; V229-M233 PolarHBondContact O-N 3.4Å
230S96.3Very high93.7Very high0 Ų022 Ų220%012%0.124CC..Hα-helixtrans-61-37.7-179.370.30000113.1K19 N226 H227 T232 M233 S234K19-S230 WeakPolarHBondContact CG-OG 3.34Å; N226-S230 VanDerWaalsContact O-CB 3.3Å; N226-S230 WeakPolarHBondContact O-CB 2.97Å; N226-S230 PolarHBondContact O-N 3.24Å; N226-S230 PolarHBondContact O-OG 3.29Å; H227-S230 WeakPolarHBondContact CA-OG 3.43Å; H227-S230 PolarHBondContact O-N 2.99Å; H227-S230 PolarHBondContact O-OG 3.42Å; S230-T232 VanDerWaalsContact C-N 3.28Å; S230-T232 PolarHBondContact O-N 2.58Å; S230-M233 PolarHBondContact O-N 3.14Å; S230-S234 WeakPolarHBondContact O-CB 3.25Å; S230-S234 PolarHBondContact O-N 3.01Å
231A94.8Very high93.6Very high17 Ų1721 Ų2114%0.1412%0.118CC..Hα-helixtrans-63.8-37.3175.700000111.5H227 L228 V229 G235 F270H227-A231 PolarHBondContact O-N 2.99Å; L228-A231 PolarHBondContact O-N 2.84Å; V229-A231 VanDerWaalsContact C-N 3.31Å; V229-A231 PolarHBondContact O-N 2.98Å; A231-G235 PolarHBondContact O-N 2.72Å; A231-F270 HydrophobicContact CB-CD2 4.17Å; A231-F270 HydrophobicContact CB-CE2 4.01Å; A231-F270 HydrophobicContact CB-CZ 4.25Å
232T95.7Very high93.4Very high2 Ų217.5 Ų17.51%0.01210%0.096CC..Hα-helixtrans-71.2-47.9177.1-570000111.7L228 V229 S230 S234 G235 V236 P268 M300 T366L228-T232 PolarHBondContact O-N 3.5Å; L228-T232 PolarHBondContact O-OG1 2.79Å; V229-T232 WeakPolarHBondContact O-CA 3.18Å; V229-T232 WeakPolarHBondContact O-CB 3.46Å; V229-T232 PolarHBondContact O-N 2.99Å; S230-T232 VanDerWaalsContact C-N 3.28Å; S230-T232 PolarHBondContact O-N 2.58Å; T232-S234 VanDerWaalsContact C-N 3.27Å; T232-S234 PolarHBondContact O-N 3.43Å; T232-G235 WeakPolarHBondContact O-CA 3.43Å; T232-G235 PolarHBondContact O-N 3.39Å; T232-V236 HydrophobicContact CG2-CG2 4.49Å; T232-V236 WeakPolarHBondContact O-CG2 3.24Å; T232-V236 PolarHBondContact O-N 2.96Å; T232-P268 HydrophobicContact CG2-CB 3.66Å; T232-P268 HydrophobicContact CG2-CG 4.35Å; T232-M300 HydrophobicContact CG2-CE 4.32Å; T232-M300 HydrophobicContact CG2-SD 4.09Å; T232-M300 WeakPolarHBondContact OG1-CE 3.42Å; T232-M300 PolarHBondContact OG1-SD 2.88Å; T232-M300 VanDerWaalsContact OG1-SD 3.35Å; T232-T366 HydrophobicContact CG2-CG2 4.14Å
233M96.9Very high92.8Very high1 Ų114 Ų141%0.0059%0.087CC..Hα-helixtrans-56.5-43.9174-66.6172.166.700111.2I16 F20 T136 F167 V229 S230 G235 V236 T237I16-M233 HydrophobicContact CG2-CE 4.46Å; I16-M233 HydrophobicContact CG2-SD 3.43Å; I16-M233 WeakPolarHBondContact CG2-SD 3.49Å; F20-M233 HydrophobicContact CB-CE 3.96Å; F20-M233 HydrophobicContact CB-SD 4.23Å; F20-M233 HydrophobicContact CD1-CE 4.08Å; F20-M233 HydrophobicContact CD2-CB 3.57Å; F20-M233 HydrophobicContact CD2-CE 3.94Å; F20-M233 HydrophobicContact CD2-SD 4.38Å; F20-M233 HydrophobicContact CE2-CB 3.79Å; F20-M233 HydrophobicContact CE2-CE 4.44Å; F20-M233 HydrophobicContact CG-CB 4.45Å; F20-M233 HydrophobicContact CG-CE 3.72Å; F20-M233 HydrophobicContact CG-SD 4.4Å; T136-M233 HydrophobicContact CG2-CE 4.41Å; T136-M233 VanDerWaalsContact OG1-CE 3.28Å; T136-M233 WeakPolarHBondContact OG1-CE 3.45Å; F167-M233 HydrophobicContact CD1-CG 3.74Å; F167-M233 HydrophobicContact CD2-CE 3.64Å; F167-M233 HydrophobicContact CD2-CG 3.77Å; F167-M233 HydrophobicContact CD2-SD 4.2Å; F167-M233 HydrophobicContact CE1-CB 4.31Å; F167-M233 HydrophobicContact CE1-CG 3.72Å; F167-M233 HydrophobicContact CE2-CB 4.02Å; F167-M233 HydrophobicContact CE2-CE 3.89Å; F167-M233 HydrophobicContact CE2-CG 3.66Å; F167-M233 HydrophobicContact CG-CE 4.29Å; F167-M233 HydrophobicContact CG-CG 3.79Å; F167-M233 HydrophobicContact CG-SD 4.29Å; F167-M233 HydrophobicContact CZ-CB 3.92Å; F167-M233 HydrophobicContact CZ-CG 3.68Å; V229-M233 HydrophobicContact CG1-CG 4.12Å; V229-M233 HydrophobicContact CG1-SD 3.83Å; V229-M233 WeakPolarHBondContact O-CG 3.28Å; V229-M233 PolarHBondContact O-N 3.4Å; S230-M233 PolarHBondContact O-N 3.14Å; M233-G235 VanDerWaalsContact C-N 3.34Å; M233-G235 PolarHBondContact O-N 2.72Å; M233-V236 PolarHBondContact O-N 3.45Å; M233-T237 WeakPolarHBondContact O-CB 3.29Å; M233-T237 VanDerWaalsContact O-CG2 3.26Å; M233-T237 WeakPolarHBondContact O-CG2 3.34Å; M233-T237 PolarHBondContact O-N 3.3Å; M233-T237 PolarHBondContact O-OG1 2.79Å
234S95.1Very high91.7Very high0 Ų013 Ų130%08%0.078CC..Hα-helixtrans-59.2-45.7175175.90000111.3E27 S230 T232 T237 T238 R241 R318E27-S234 VanDerWaalsContact CD-OG 3.22Å; E27-S234 PolarHBondContact OE1-OG 3.32Å; E27-S234 PolarHBondContact OE2-OG 2.8Å; S230-S234 WeakPolarHBondContact O-CB 3.25Å; S230-S234 PolarHBondContact O-N 3.01Å; T232-S234 VanDerWaalsContact C-N 3.27Å; T232-S234 PolarHBondContact O-N 3.43Å; S234-T237 PolarHBondContact O-N 2.93Å; S234-T237 PolarHBondContact O-OG1 3.42Å; S234-T238 PolarHBondContact O-N 3.14Å; S234-T238 PolarHBondContact O-OG1 2.82Å; S234-R241 PolarHBondContact O-NH2 2.8Å; S234-R241 PolarHBondContact OG-NH2 3.03Å; S234-R318 PolarHBondContact OG-NH1 3.13Å
235G94.2Very high90Very high0 Ų017.8 Ų17.80%010%0.099CC..Hα-helixtrans-63.8-46.1177.800000114.5A231 T232 M233 T237 T238 T366A231-G235 PolarHBondContact O-N 2.72Å; T232-G235 WeakPolarHBondContact O-CA 3.43Å; T232-G235 PolarHBondContact O-N 3.39Å; M233-G235 VanDerWaalsContact C-N 3.34Å; M233-G235 PolarHBondContact O-N 2.72Å; G235-T237 VanDerWaalsContact C-N 3.26Å; G235-T237 PolarHBondContact O-N 2.91Å; G235-T238 WeakPolarHBondContact CA-OG1 3.28Å; G235-T238 WeakPolarHBondContact O-CB 3.4Å; G235-T238 PolarHBondContact O-N 3.31Å; G235-T238 PolarHBondContact O-OG1 2.93Å; G235-T366 WeakPolarHBondContact CA-OG1 3.37Å
236V93.2Very high88.2Confident4 Ų419.8 Ų19.82%0.02411%0.109CC..Hα-helixtrans-56.3-43.3174.61700000110.6F167 Y200 T232 M233 T366 I368F167-V236 HydrophobicContact CE1-CG2 4.34Å; F167-V236 HydrophobicContact CZ-CB 4.2Å; F167-V236 HydrophobicContact CZ-CG1 4.12Å; F167-V236 HydrophobicContact CZ-CG2 4.5Å; Y200-V236 HydrophobicContact CD1-CG2 4.17Å; Y200-V236 HydrophobicContact CE1-CB 4.45Å; Y200-V236 HydrophobicContact CE1-CG1 3.78Å; Y200-V236 HydrophobicContact CE1-CG2 3.72Å; Y200-V236 HydrophobicContact CE2-CG1 4.12Å; Y200-V236 VanDerWaalsContact CZ-CG1 3.48Å; Y200-V236 WeakPolarHBondContact OH-CG1 3.41Å; T232-V236 HydrophobicContact CG2-CG2 4.49Å; T232-V236 WeakPolarHBondContact O-CG2 3.24Å; T232-V236 PolarHBondContact O-N 2.96Å; M233-V236 PolarHBondContact O-N 3.45Å; V236-T366 HydrophobicContact CG2-CG2 3.83Å; V236-I368 HydrophobicContact CG1-CD1 4.29Å; V236-I368 HydrophobicContact CG2-CD1 4.01Å; V236-I368 HydrophobicContact CG2-CG1 4.14Å
237T93.1Very high86.6Confident0 Ų019.3 Ų19.30%011%0.107CC..THydrogen-bonded Turntrans-88.3-0.5-174.761.30000114Y50 M233 S234 G235 C239 L240 R241Y50-T237 HydrophobicContact CE2-CG2 4.37Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.46Å; M233-T237 WeakPolarHBondContact O-CB 3.29Å; M233-T237 VanDerWaalsContact O-CG2 3.26Å; M233-T237 WeakPolarHBondContact O-CG2 3.34Å; M233-T237 PolarHBondContact O-N 3.3Å; M233-T237 PolarHBondContact O-OG1 2.79Å; S234-T237 PolarHBondContact O-N 2.93Å; S234-T237 PolarHBondContact O-OG1 3.42Å; G235-T237 VanDerWaalsContact C-N 3.26Å; G235-T237 PolarHBondContact O-N 2.91Å; T237-C239 PolarHBondContact O-N 3.19Å; T237-L240 HydrophobicContact CG2-CD1 4.37Å; T237-L240 WeakPolarHBondContact O-CB 3.5Å; T237-L240 PolarHBondContact O-N 3.47Å; T237-L240 VanDerWaalsContact O-N 3.14Å; T237-R241 PolarHBondContact O-N 2.84Å; T237-R241 VanDerWaalsContact O-N 3.17Å; T237-R241 PolarHBondContact OG1-NE 2.86Å
238T91.9Very high85.5Confident1 Ų116.2 Ų16.21%0.00610%0.099CC..Hα-helixtrans-60.6-45-174-64.70000112S234 G235 L240 R241 F242 R318 C354S234-T238 PolarHBondContact O-N 3.14Å; S234-T238 PolarHBondContact O-OG1 2.82Å; G235-T238 WeakPolarHBondContact CA-OG1 3.28Å; G235-T238 WeakPolarHBondContact O-CB 3.4Å; G235-T238 PolarHBondContact O-N 3.31Å; G235-T238 PolarHBondContact O-OG1 2.93Å; T238-L240 PolarHBondContact O-N 2.53Å; T238-R241 PolarHBondContact O-N 3.35Å; T238-R241 VanDerWaalsContact O-N 3.13Å; T238-F242 HydrophobicContact CG2-CD2 3.99Å; T238-F242 PolarHBondContact O-N 2.81Å; T238-R318 HydrophobicContact CG2-CG 4.07Å; T238-R318 WeakPolarHBondContact OG1-CD 3.45Å; T238-R318 VanDerWaalsContact OG1-CZ 3.26Å; T238-R318 PolarHBondContact OG1-NE 3.38Å; T238-R318 PolarHBondContact OG1-NH1 2.76Å; T238-C354 HydrophobicContact CG2-CB 3.61Å
239C86.3Confident85Confident5 Ų516.6 Ų16.63%0.03410%0.101CC..Hα-helixtrans-68.7-16.4-178.8-62.80000113.7R46 T237 L246R46-C239 PolarHBondContact NH1-O 2.85Å; T237-C239 PolarHBondContact O-N 3.19Å; C239-L246 WeakPolarHBondContact CB-O 3.31Å
240L89.8Confident84.6Confident7 Ų716.6 Ų16.64%0.03710%0.101CC..Hα-helixtrans-80.7-44173.3-47.9174.8000109.4I4 R46 V49 T237 T238 L250I4-L240 HydrophobicContact CD1-CD1 3.62Å; R46-L240 VanDerWaalsContact CD-O 3.28Å; R46-L240 WeakPolarHBondContact CD-O 3.35Å; V49-L240 HydrophobicContact CG1-CB 4.26Å; V49-L240 WeakPolarHBondContact CG2-O 3.47Å; T237-L240 HydrophobicContact CG2-CD1 4.37Å; T237-L240 WeakPolarHBondContact O-CB 3.5Å; T237-L240 PolarHBondContact O-N 3.47Å; T237-L240 VanDerWaalsContact O-N 3.14Å; T238-L240 PolarHBondContact O-N 2.53Å; L240-L250 HydrophobicContact CD1-CD2 3.75Å; L240-L250 HydrophobicContact CD1-CG 4.19Å
241R91.7Very high84.4Confident1 Ų122.3 Ų22.30%0.00412%0.123CC..Hα-helixtrans-85-22.8-172.8-69.6-176.8-59103.5-2.5115.5E27 H28 Y50 S234 T237 T238E27-R241 IonicContact OE2-CZ 3.94Å; E27-R241 VanDerWaalsContact OE2-CZ 3.27Å; E27-R241 IonicContact OE2-NH1 3.84Å; E27-R241 PolarHBondContact OE2-NH1 3.45Å; E27-R241 IonicContact OE2-NH2 2.67Å; E27-R241 PolarHBondContact OE2-NH2 3.38Å; H28-R241 PolarHBondContact NE2-NH1 3.26Å; Y50-R241 HydrophobicContact CD2-CG 3.56Å; Y50-R241 HydrophobicContact CE2-CG 3.77Å; S234-R241 PolarHBondContact O-NH2 2.8Å; S234-R241 PolarHBondContact OG-NH2 3.03Å; T237-R241 PolarHBondContact O-N 2.84Å; T237-R241 VanDerWaalsContact O-N 3.17Å; T237-R241 PolarHBondContact OG1-NE 2.86Å; T238-R241 PolarHBondContact O-N 3.35Å; T238-R241 VanDerWaalsContact O-N 3.13Å
242F88.7Confident84.2Confident1 Ų126 Ų260%0.00414%0.135CC..SBendtrans-129.8152.7-179.2-62.9-58.8000111E27 H28 L42 R46 T238 G244 I356E27-F242 HydrophobicContact CB-CE2 4.31Å; E27-F242 HydrophobicContact CB-CZ 4.04Å; H28-F242 AromaticContact CE1-CE1 3.44Å; H28-F242 VanDerWaalsContact CE1-CE1 3.44Å; H28-F242 WeakPolarHBondContact CE1-CE1 3.46Å; H28-F242 AromaticContact CE1-CZ 3.65Å; H28-F242 AromaticContact ND1-CE1 3.63Å; H28-F242 AromaticContact ND1-CZ 3.91Å; H28-F242 AromaticContact NE2-CZ 3.93Å; L42-F242 WeakPolarHBondContact O-CD1 3.18Å; R46-F242 PolarHBondContact NH1-O 3.05Å; T238-F242 HydrophobicContact CG2-CD2 3.99Å; T238-F242 PolarHBondContact O-N 2.81Å; F242-G244 PolarHBondContact O-N 2.87Å; F242-I356 HydrophobicContact CB-CD1 4.17Å; F242-I356 HydrophobicContact CD1-CD1 3.32Å; F242-I356 HydrophobicContact CD2-CB 4.47Å; F242-I356 HydrophobicContact CD2-CD1 4.08Å; F242-I356 HydrophobicContact CE1-CD1 3.61Å; F242-I356 HydrophobicContact CE2-CD1 4.3Å; F242-I356 HydrophobicContact CE2-CG2 4.21Å; F242-I356 HydrophobicContact CG-CD1 3.58Å; F242-I356 HydrophobicContact CZ-CD1 4.09Å; F242-I356 HydrophobicContact CZ-CG2 4.37Å
243P78.1Confident84Confident39 Ų3926.1 Ų26.125%0.25314%0.136SC..  trans-56.1132.3168.526.3-36.8000110.6L42 E45L42-P243 HydrophobicContact CD2-CG 3.91Å; E45-P243 WeakPolarHBondContact OE1-CB 3.44Å; E45-P243 VanDerWaalsContact OE2-CG 3.29Å; E45-P243 WeakPolarHBondContact OE2-CG 3.38Å
244G68.8Low83.8Confident29 Ų2926.6 Ų26.630%0.29914%0.14SC..  trans-164.4164.5179.900000110F242F242-G244 PolarHBondContact O-N 2.87Å
245Q59.5Low83.7Confident138 Ų13831.9 Ų31.965%0.64517%0.172SC*.SBendtrans-78.2-24.3-171.3-68.2-169.5-700114.9M323Q245-M323 PolarHBondContact OE1-SD 3.43Å
246L57.3Low83.6Confident46 Ų4634.1 Ų34.124%0.24118%0.184CC..SBendtrans-125.5152.6-171.8-135.895.1000113.7C239 A248 K350 A352C239-L246 WeakPolarHBondContact CB-O 3.31Å; L246-A248 PolarHBondContact O-N 2.76Å; L246-K350 HydrophobicContact CD2-CB 3.76Å; L246-K350 HydrophobicContact CD2-CG 4.36Å; L246-A352 HydrophobicContact CB-CB 3.69Å
247N60Low83.7Confident4 Ų434 Ų342%0.02118%0.183CC..  trans46.661.9171.3-61.2-11.3000114.7D249 L253 N256N247-D249 PolarHBondContact O-N 3.25Å; N247-D249 VanDerWaalsContact O-N 3.09Å; N247-L253 HydrophobicContact CB-CB 4.45Å; N247-L253 HydrophobicContact CB-CD1 4.48Å; N247-L253 WeakPolarHBondContact ND2-CD1 3.44Å; N247-N256 PolarHBondContact OD1-ND2 2.81Å; N247-N256 VanDerWaalsContact OD1-ND2 3.17Å
248A71.3Confident83.8Confident37 Ų3735 Ų3531%0.30619%0.19SC..  trans-68.8-2.8-17900000114.5L246L246-A248 PolarHBondContact O-N 2.76Å
249D85.1Confident84Confident16 Ų1637.3 Ų37.39%0.08621%0.205CC..SBendtrans-153.6158.4-178.669.679.5000111R2 N247 R251 K252 L253R2-D249 IonicContact CZ-OD2 3.28Å; R2-D249 VanDerWaalsContact NH1-CB 3.31Å; R2-D249 IonicContact NH1-OD2 3.48Å; R2-D249 PolarHBondContact NH1-OD2 3.03Å; R2-D249 IonicContact NH2-OD2 3.51Å; N247-D249 PolarHBondContact O-N 3.25Å; N247-D249 VanDerWaalsContact O-N 3.09Å; D249-R251 WeakPolarHBondContact OD1-CA 3.11Å; D249-R251 WeakPolarHBondContact OD1-CB 3.37Å; D249-R251 PolarHBondContact OD1-N 3.27Å; D249-K252 PolarHBondContact O-N 2.83Å; D249-K252 WeakPolarHBondContact OD1-CB 3.4Å; D249-K252 PolarHBondContact OD1-N 3.23Å; D249-L253 PolarHBondContact O-N 2.89Å
250L89.3Confident84.4Confident1 Ų138.2 Ų38.21%0.00521%0.208CC..Hα-helixtrans-62-41.1179.8-69.5173.1000111.8I4 I163 L240 K252 L253 A254I4-L250 HydrophobicContact CD1-CD1 3.81Å; I4-L250 HydrophobicContact CD1-CD2 4.49Å; I4-L250 HydrophobicContact CD1-CG 4.06Å; I4-L250 HydrophobicContact CG1-CD1 4Å; I163-L250 HydrophobicContact CB-CB 4Å; I163-L250 HydrophobicContact CB-CD1 4.36Å; I163-L250 HydrophobicContact CG1-CB 4.11Å; I163-L250 HydrophobicContact CG2-CB 3.85Å; I163-L250 HydrophobicContact CG2-CD1 4.22Å; L240-L250 HydrophobicContact CD1-CD2 3.75Å; L240-L250 HydrophobicContact CD1-CG 4.19Å; L250-K252 VanDerWaalsContact C-N 3.3Å; L250-K252 PolarHBondContact O-N 2.99Å; L250-L253 WeakPolarHBondContact O-CA 3.4Å; L250-L253 WeakPolarHBondContact O-CB 3.46Å; L250-L253 PolarHBondContact O-N 3.37Å; L250-A254 PolarHBondContact O-N 2.8Å
251R92.4Very high84.7Confident120 Ų12043 Ų4345%0.45324%0.239SC..Hα-helixtrans-62-40-178.2-178.1174.4-58.3-70.8-3112.1D161 I163 D249 L253 A254 V255D161-R251 PolarHBondContact O-NH2 3.23Å; I163-R251 HydrophobicContact CD1-CB 4.2Å; I163-R251 HydrophobicContact CD1-CG 4.47Å; I163-R251 HydrophobicContact CG1-CB 4.03Å; D249-R251 WeakPolarHBondContact OD1-CA 3.11Å; D249-R251 WeakPolarHBondContact OD1-CB 3.37Å; D249-R251 PolarHBondContact OD1-N 3.27Å; R251-L253 VanDerWaalsContact C-N 3.31Å; R251-A254 PolarHBondContact O-N 3.3Å; R251-V255 VanDerWaalsContact O-CG2 3.3Å; R251-V255 WeakPolarHBondContact O-CG2 3.2Å; R251-V255 PolarHBondContact O-N 2.97Å
252K90.9Very high85Confident94 Ų9445.9 Ų45.941%0.40925%0.25SS..Hα-helixtrans-68.7-32.6175.8-175.2173.1177.9176.70111.4D249 L250 N256D249-K252 PolarHBondContact O-N 2.83Å; D249-K252 WeakPolarHBondContact OD1-CB 3.4Å; D249-K252 PolarHBondContact OD1-N 3.23Å; L250-K252 VanDerWaalsContact C-N 3.3Å; L250-K252 PolarHBondContact O-N 2.99Å; K252-N256 WeakPolarHBondContact CG-ND2 3.32Å; K252-N256 WeakPolarHBondContact O-CB 3.27Å; K252-N256 PolarHBondContact O-N 2.86Å; K252-N256 PolarHBondContact O-ND2 3Å
253L90.9Very high85.4Confident4 Ų445.8 Ų45.82%0.02125%0.25CC..Hα-helixtrans-64.8-52.1172.1-177.161.8000110.1E198 Y200 N247 D249 L250 R251 V255 N256 M257 M316E198-L253 WeakPolarHBondContact OE1-CB 3.39Å; Y200-L253 WeakPolarHBondContact OH-CD2 3.3Å; N247-L253 HydrophobicContact CB-CB 4.45Å; N247-L253 HydrophobicContact CB-CD1 4.48Å; N247-L253 WeakPolarHBondContact ND2-CD1 3.44Å; D249-L253 PolarHBondContact O-N 2.89Å; L250-L253 WeakPolarHBondContact O-CA 3.4Å; L250-L253 WeakPolarHBondContact O-CB 3.46Å; L250-L253 PolarHBondContact O-N 3.37Å; R251-L253 VanDerWaalsContact C-N 3.31Å; L253-V255 PolarHBondContact O-N 2.83Å; L253-N256 PolarHBondContact O-N 2.9Å; L253-N256 VanDerWaalsContact O-N 3.14Å; L253-M257 HydrophobicContact CD1-CG 3.69Å; L253-M257 HydrophobicContact CG-CG 4.32Å; L253-M257 VanDerWaalsContact O-CB 3.29Å; L253-M257 WeakPolarHBondContact O-CB 3.37Å; L253-M257 VanDerWaalsContact O-CG 3.24Å; L253-M257 WeakPolarHBondContact O-CG 3.48Å; L253-M257 PolarHBondContact O-N 3.06Å; L253-M316 HydrophobicContact CD1-CE 4.15Å
254A93.2Very high86.3Confident12 Ų1244 Ų4410%0.09924%0.238CC..Hα-helixtrans-51.9-54.9175.200000112.5I163 E198 L250 R251 N256 M257 V258I163-A254 HydrophobicContact CD1-CB 4.4Å; E198-A254 HydrophobicContact CG-CB 4.11Å; E198-A254 WeakPolarHBondContact OE1-CA 3.4Å; E198-A254 WeakPolarHBondContact OE1-CB 3.39Å; E198-A254 PolarHBondContact OE1-N 3.3Å; L250-A254 PolarHBondContact O-N 2.8Å; R251-A254 PolarHBondContact O-N 3.3Å; A254-N256 PolarHBondContact O-N 2.85Å; A254-N256 VanDerWaalsContact O-N 3.15Å; A254-M257 PolarHBondContact O-N 2.68Å; A254-V258 WeakPolarHBondContact O-CB 3.33Å; A254-V258 PolarHBondContact O-N 3.17Å
255V92.8Very high87.7Confident111 Ų11142.7 Ų42.767%0.67322%0.224SC*.Hα-helixtrans-58.5-32.3-179.8169.70000113R251 L253R251-V255 VanDerWaalsContact O-CG2 3.3Å; R251-V255 WeakPolarHBondContact O-CG2 3.2Å; R251-V255 PolarHBondContact O-N 2.97Å; L253-V255 PolarHBondContact O-N 2.83Å
256N91.7Very high89.6Confident47 Ų4736.1 Ų36.125%0.25119%0.193SC..Hα-helixtrans-84.5-20.8179.1-77.4-56.4000113.6N247 K252 L253 A254 K350N247-N256 PolarHBondContact OD1-ND2 2.81Å; N247-N256 VanDerWaalsContact OD1-ND2 3.17Å; K252-N256 WeakPolarHBondContact CG-ND2 3.32Å; K252-N256 WeakPolarHBondContact O-CB 3.27Å; K252-N256 PolarHBondContact O-N 2.86Å; K252-N256 PolarHBondContact O-ND2 3Å; L253-N256 PolarHBondContact O-N 2.9Å; L253-N256 VanDerWaalsContact O-N 3.14Å; A254-N256 PolarHBondContact O-N 2.85Å; A254-N256 VanDerWaalsContact O-N 3.15Å; N256-K350 HydrophobicContact CB-CG 4.46Å
257M94.4Very high91.4Very high0 Ų033.9 Ų33.90%018%0.182CC..Hα-helixtrans-112.3-24-168.9-65.9-58.5-61.100113.3L253 A254 P259 F266 T312 A314 I368 N370L253-M257 HydrophobicContact CD1-CG 3.69Å; L253-M257 HydrophobicContact CG-CG 4.32Å; L253-M257 VanDerWaalsContact O-CB 3.29Å; L253-M257 WeakPolarHBondContact O-CB 3.37Å; L253-M257 VanDerWaalsContact O-CG 3.24Å; L253-M257 WeakPolarHBondContact O-CG 3.48Å; L253-M257 PolarHBondContact O-N 3.06Å; A254-M257 PolarHBondContact O-N 2.68Å; M257-P259 WeakPolarHBondContact O-CD 3.39Å; M257-F266 HydrophobicContact CB-CE1 3.74Å; M257-F266 HydrophobicContact CB-CZ 3.63Å; M257-T312 WeakPolarHBondContact CA-OG1 3.33Å; M257-T312 VanDerWaalsContact CE-OG1 3.29Å; M257-T312 WeakPolarHBondContact CE-OG1 3.39Å; M257-T312 PolarHBondContact O-OG1 3.01Å; M257-A314 HydrophobicContact CE-CB 3.83Å; M257-A314 HydrophobicContact SD-CB 3.51Å; M257-A314 VanDerWaalsContact SD-CB 3.51Å; M257-I368 HydrophobicContact CE-CB 4.32Å; M257-I368 HydrophobicContact CE-CG2 3.99Å; M257-I368 WeakPolarHBondContact CE-O 3.49Å; M257-N370 PolarHBondContact O-ND2 3.23Å
258V96.3Very high93.2Very high23 Ų2333.7 Ų33.714%0.13918%0.181CC..  trans-114.197.5-174.5-175.30000108.4A254 F260 H264 F266A254-V258 WeakPolarHBondContact O-CB 3.33Å; A254-V258 PolarHBondContact O-N 3.17Å; V258-F260 WeakPolarHBondContact CG1-O 3.36Å; V258-H264 HydrophobicContact CG1-CB 3.9Å; V258-H264 HydrophobicContact CG2-CB 4Å; V258-F266 HydrophobicContact CG2-CE1 3.9Å; V258-F266 HydrophobicContact CG2-CZ 3.5Å
259P95Very high94.4Very high49 Ų4932 Ų3232%0.31817%0.167SC..SBendtrans-69.8-36.9177.527-32.9000112M257 L311 I345M257-P259 WeakPolarHBondContact O-CD 3.39Å; P259-L311 HydrophobicContact CG-CB 4.25Å; P259-L311 HydrophobicContact CG-CD1 4.1Å; P259-I345 HydrophobicContact CB-CD1 3.82Å; P259-I345 HydrophobicContact CG-CD1 3.85Å
260F96Very high94.9Very high24 Ų2432 Ų3211%0.10517%0.167CC..SBendtrans-125.8136.2-179.8-61.4-77000109.7V258 R262 L263 W344 Y425V258-F260 WeakPolarHBondContact CG1-O 3.36Å; F260-R262 VanDerWaalsContact C-N 3.27Å; F260-R262 PolarHBondContact O-N 2.93Å; F260-R262 VanDerWaalsContact O-N 3.1Å; F260-L263 HydrophobicContact CB-CB 4.24Å; F260-L263 HydrophobicContact CB-CD1 3.95Å; F260-L263 HydrophobicContact CB-CD2 4.13Å; F260-L263 HydrophobicContact CB-CG 4.31Å; F260-L263 HydrophobicContact CD2-CD2 3.83Å; F260-L263 HydrophobicContact CG-CD2 4.38Å; F260-L263 PolarHBondContact O-N 3.4Å; F260-W344 AromaticContact CE2-CH2 3.73Å; F260-W344 HydrophobicContact CE2-CH2 3.73Å; F260-W344 AromaticContact CE2-CZ3 3.84Å; F260-W344 HydrophobicContact CE2-CZ3 3.84Å; F260-W344 HydrophobicContact CZ-CZ3 4.42Å; F260-Y425 HydrophobicContact CD1-CE1 4.3Å; F260-Y425 AromaticContact CD1-CZ 3.84Å; F260-Y425 WeakPolarHBondContact CD1-OH 3.45Å; F260-Y425 HydrophobicContact CD2-CD1 4.08Å; F260-Y425 HydrophobicContact CD2-CD2 4.23Å; F260-Y425 AromaticContact CD2-CE1 3.78Å; F260-Y425 HydrophobicContact CD2-CE1 3.78Å; F260-Y425 AromaticContact CD2-CE2 3.92Å; F260-Y425 HydrophobicContact CD2-CE2 3.92Å; F260-Y425 HydrophobicContact CD2-CG 4.3Å; F260-Y425 AromaticContact CD2-CZ 3.69Å; F260-Y425 AromaticContact CE1-CE1 3.79Å; F260-Y425 HydrophobicContact CE1-CE1 3.79Å; F260-Y425 AromaticContact CE1-CZ 3.74Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.41Å; F260-Y425 AromaticContact CE2-CD1 3.48Å; F260-Y425 HydrophobicContact CE2-CD1 3.48Å; F260-Y425 VanDerWaalsContact CE2-CD1 3.48Å; F260-Y425 HydrophobicContact CE2-CD2 4.45Å; F260-Y425 AromaticContact CE2-CE1 3.19Å; F260-Y425 HydrophobicContact CE2-CE1 3.19Å; F260-Y425 HydrophobicContact CE2-CE2 4.21Å; F260-Y425 HydrophobicContact CE2-CG 4.12Å; F260-Y425 AromaticContact CE2-CZ 3.59Å; F260-Y425 HydrophobicContact CG-CE1 4.3Å; F260-Y425 HydrophobicContact CG-CE2 4.09Å; F260-Y425 AromaticContact CG-CZ 3.82Å; F260-Y425 AromaticContact CZ-CD1 3.93Å; F260-Y425 HydrophobicContact CZ-CD1 3.93Å; F260-Y425 AromaticContact CZ-CE1 3.21Å; F260-Y425 HydrophobicContact CZ-CE1 3.21Å; F260-Y425 AromaticContact CZ-CZ 3.63Å
261P95.3Very high95.3Very high107 Ų10732 Ų3270%0.69517%0.166SC*.THydrogen-bonded Turntrans-50.9-41.3-171.3-30.635.7000114.6L263 H264P261-L263 VanDerWaalsContact C-N 3.33Å; P261-L263 PolarHBondContact O-N 2.99Å; P261-H264 PolarHBondContact O-CD2 3.09Å
262R97.4Very high95.4Very high61 Ų6127 Ų2723%0.2315%0.149CC..THydrogen-bonded Turntrans-75.5-18.3-179.2-68.4172.459.296.6-6113.7V193 E194 F260 H264 N414 L418 E421V193-R262 HydrophobicContact CG1-CG 4.15Å; V193-R262 VanDerWaalsContact CG1-NH1 3.34Å; E194-R262 IonicContact OE1-NH1 3.95Å; E194-R262 PolarHBondContact OE1-NH1 3.01Å; F260-R262 VanDerWaalsContact C-N 3.27Å; F260-R262 PolarHBondContact O-N 2.93Å; F260-R262 VanDerWaalsContact O-N 3.1Å; R262-H264 PolarHBondContact O-N 3.02Å; R262-H264 VanDerWaalsContact O-N 3.14Å; R262-N414 PolarHBondContact NH1-OD1 3.22Å; R262-N414 PolarHBondContact NH2-OD1 3.26Å; R262-L418 HydrophobicContact CB-CD1 4.24Å; R262-L418 WeakPolarHBondContact O-CD1 3.39Å; R262-E421 WeakPolarHBondContact CB-OE2 3.43Å; R262-E421 WeakPolarHBondContact CD-OE2 3.31Å; R262-E421 IonicContact CZ-OE1 3.7Å; R262-E421 VanDerWaalsContact NE-CD 3.27Å; R262-E421 IonicContact NE-OE1 3.39Å; R262-E421 PolarHBondContact NE-OE1 2.76Å; R262-E421 IonicContact NE-OE2 3.18Å; R262-E421 PolarHBondContact NE-OE2 3.1Å; R262-E421 IonicContact NH2-OE1 3.18Å; R262-E421 PolarHBondContact NH2-OE1 3.18Å
263L97.6Very high95.5Very high0 Ų023.1 Ų23.10%013%0.133CC..  trans-92.245.8-176.4-74.258.7000110.7F260 P261 L311 N370 E421 Y422 Y425F260-L263 HydrophobicContact CB-CB 4.24Å; F260-L263 HydrophobicContact CB-CD1 3.95Å; F260-L263 HydrophobicContact CB-CD2 4.13Å; F260-L263 HydrophobicContact CB-CG 4.31Å; F260-L263 HydrophobicContact CD2-CD2 3.83Å; F260-L263 HydrophobicContact CG-CD2 4.38Å; F260-L263 PolarHBondContact O-N 3.4Å; P261-L263 VanDerWaalsContact C-N 3.33Å; P261-L263 PolarHBondContact O-N 2.99Å; L263-L311 HydrophobicContact CB-CD1 4.25Å; L263-L311 HydrophobicContact CD2-CD1 3.76Å; L263-L311 HydrophobicContact CG-CD1 4.48Å; L263-N370 PolarHBondContact O-ND2 3.44Å; L263-E421 HydrophobicContact CD1-CB 4.39Å; L263-Y422 WeakPolarHBondContact CA-OH 3.31Å; L263-Y422 HydrophobicContact CB-CE1 3.96Å; L263-Y422 HydrophobicContact CD2-CD1 4.28Å; L263-Y422 HydrophobicContact CD2-CE1 4.29Å; L263-Y422 HydrophobicContact CG-CD1 4.03Å; L263-Y422 HydrophobicContact CG-CE1 3.72Å; L263-Y425 HydrophobicContact CD1-CD2 4.34Å; L263-Y425 HydrophobicContact CD1-CE2 4.26Å; L263-Y425 HydrophobicContact CD2-CD2 3.35Å; L263-Y425 HydrophobicContact CD2-CE2 3.89Å; L263-Y425 HydrophobicContact CD2-CG 3.97Å; L263-Y425 HydrophobicContact CG-CD2 4.45Å
264H97.8Very high95.4Very high0 Ų023.6 Ų23.60%014%0.136CC..  trans-101.515.6-17169.574.7000113.8L192 T196 D197 T199 V258 P261 R262L192-H264 PolarHBondContact O-CE1 3.13Å; L192-H264 PolarHBondContact O-NE2 3.09Å; T196-H264 PolarHBondContact OG1-CE1 3.49Å; T196-H264 PolarHBondContact OG1-ND1 3.16Å; D197-H264 WeakPolarHBondContact O-CB 3.32Å; T199-H264 PolarHBondContact N-O 3.3Å; V258-H264 HydrophobicContact CG1-CB 3.9Å; V258-H264 HydrophobicContact CG2-CB 4Å; P261-H264 PolarHBondContact O-CD2 3.09Å; R262-H264 PolarHBondContact O-N 3.02Å; R262-H264 VanDerWaalsContact O-N 3.14Å
265F98.4Very high95.2Very high2 Ų223.5 Ų23.51%0.00914%0.135CC..EExtended strand (participates in β ladder)trans-95.5115.3-177.1-64.7-94.5000110.9L192 V193 T199 I374 F378 L418L192-F265 HydrophobicContact CB-CE1 4.24Å; L192-F265 HydrophobicContact CB-CZ 4.21Å; V193-F265 HydrophobicContact CG2-CE2 3.84Å; V193-F265 HydrophobicContact CG2-CZ 3.74Å; T199-F265 HydrophobicContact CG2-CD1 3.5Å; T199-F265 VanDerWaalsContact CG2-CD1 3.5Å; T199-F265 HydrophobicContact CG2-CE1 3.69Å; T199-F265 CarbonylContact O-C 3.18Å; T199-F265 WeakPolarHBondContact O-CA 3.18Å; F265-I374 HydrophobicContact CB-CG1 4.08Å; F265-F378 HydrophobicContact CB-CZ 4.1Å; F265-F378 HydrophobicContact CD1-CE1 4.26Å; F265-F378 AromaticContact CD1-CZ 3.68Å; F265-F378 HydrophobicContact CD1-CZ 3.68Å; F265-F378 HydrophobicContact CD2-CE2 4.42Å; F265-F378 AromaticContact CD2-CZ 3.98Å; F265-F378 HydrophobicContact CD2-CZ 3.98Å; F265-F378 HydrophobicContact CE1-CE1 4.31Å; F265-F378 HydrophobicContact CE1-CZ 4.01Å; F265-F378 HydrophobicContact CE2-CZ 4.3Å; F265-F378 HydrophobicContact CG-CE2 4.36Å; F265-F378 AromaticContact CG-CZ 3.65Å; F265-F378 HydrophobicContact CG-CZ 3.65Å; F265-F378 HydrophobicContact CZ-CZ 4.31Å; F265-L418 HydrophobicContact CD2-CD2 4.38Å; F265-L418 HydrophobicContact CE2-CD1 4.45Å; F265-L418 HydrophobicContact CE2-CD2 3.87Å; F265-L418 HydrophobicContact CZ-CD2 4.39Å
266F97.6Very high94.6Very high0 Ų027 Ų270%014%0.136CC..EExtended strand (participates in β ladder)trans-100.4143.7-176.4-54.8-44.6000112.2E198 T199 Y200 C201 M257 V258 P268 I368 G369 N370E198-F266 HydrophobicContact CB-CE2 3.82Å; E198-F266 HydrophobicContact CG-CE2 3.9Å; E198-F266 HydrophobicContact CG-CZ 4.43Å; T199-F266 PolarHBondContact O-N 2.79Å; Y200-F266 HydrophobicContact CD1-CB 4.08Å; Y200-F266 HydrophobicContact CD1-CD2 4.08Å; Y200-F266 HydrophobicContact CD2-CD2 4.34Å; Y200-F266 HydrophobicContact CE1-CB 4.34Å; Y200-F266 AromaticContact CE1-CD2 3.76Å; Y200-F266 HydrophobicContact CE1-CD2 3.76Å; Y200-F266 HydrophobicContact CE1-CG 4.45Å; Y200-F266 AromaticContact CE2-CD2 3.99Å; Y200-F266 HydrophobicContact CE2-CD2 3.99Å; Y200-F266 HydrophobicContact CE2-CE2 4.37Å; Y200-F266 HydrophobicContact CG-CD2 4.36Å; Y200-F266 AromaticContact CZ-CD2 3.69Å; C201-F266 PolarHBondContact N-O 3.32Å; M257-F266 HydrophobicContact CB-CE1 3.74Å; M257-F266 HydrophobicContact CB-CZ 3.63Å; V258-F266 HydrophobicContact CG2-CE1 3.9Å; V258-F266 HydrophobicContact CG2-CZ 3.5Å; F266-P268 VanDerWaalsContact O-CD 3.31Å; F266-P268 WeakPolarHBondContact O-CD 3.32Å; F266-I368 HydrophobicContact CB-CG2 3.79Å; F266-I368 HydrophobicContact CD1-CG2 4.21Å; F266-I368 HydrophobicContact CD2-CG2 4Å; F266-I368 HydrophobicContact CG-CG2 3.74Å; F266-G369 WeakPolarHBondContact CA-O 3.24Å; F266-N370 HydrophobicContact CD1-CB 3.85Å; F266-N370 HydrophobicContact CE1-CB 3.96Å
267M96.6Very high94.1Very high0 Ų027.7 Ų27.70%015%0.154CC..EExtended strand (participates in β ladder)trans-96.7103.3165.5-65-170.3-76.100109.4A301 C303 P305 G369 S371 A373 I374M267-A301 HydrophobicContact CB-CB 4.21Å; M267-A301 HydrophobicContact CG-CB 3.71Å; M267-A301 HydrophobicContact SD-CB 4.15Å; M267-C303 HydrophobicContact SD-CB 3.71Å; M267-P305 HydrophobicContact CE-CG 4.36Å; M267-G369 PolarHBondContact N-O 3.49Å; M267-G369 PolarHBondContact O-N 3.17Å; M267-S371 VanDerWaalsContact CE-CB 3.42Å; M267-A373 HydrophobicContact CE-CB 4.33Å; M267-I374 HydrophobicContact CG-CD1 3.79Å; M267-I374 HydrophobicContact SD-CD1 4.49Å
268P97.1Very high93.5Very high0 Ų029.7 Ų29.70%017%0.168CC..EExtended strand (participates in β ladder)trans-83.9158.1178.234.1-31.4000111.4Y200 C201 I202 T232 F266 M300 F367Y200-P268 HydrophobicContact CD1-CB 4.24Å; C201-P268 WeakPolarHBondContact O-CD 3.39Å; I202-P268 HydrophobicContact CG1-CG 4.3Å; T232-P268 HydrophobicContact CG2-CB 3.66Å; T232-P268 HydrophobicContact CG2-CG 4.35Å; F266-P268 VanDerWaalsContact O-CD 3.31Å; F266-P268 WeakPolarHBondContact O-CD 3.32Å; P268-M300 HydrophobicContact CG-CB 4.18Å; P268-M300 WeakPolarHBondContact O-CB 3.44Å; P268-M300 PolarHBondContact O-N 2.89Å; P268-F367 CarbonylContact C-O 3.57Å; P268-F367 VanDerWaalsContact CA-O 3.25Å; P268-F367 WeakPolarHBondContact CA-O 3.29Å
269G96.1Very high92.7Very high2 Ų233.8 Ų33.82%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-148.4161.1173.800000111.2T366 F367G269-T366 WeakPolarHBondContact O-CA 3.24Å; G269-F367 PolarHBondContact N-O 3.29Å; G269-F367 PolarHBondContact O-N 3.29Å
270F96.5Very high91.9Very high16 Ų1639.7 Ų39.77%0.0721%0.209CC..EExtended strand (participates in β ladder)trans-134.5139.9177.7-178.2-91.3000109.9L228 A231 L273 M300 L361L228-F270 HydrophobicContact CD1-CB 4.31Å; A231-F270 HydrophobicContact CB-CD2 4.17Å; A231-F270 HydrophobicContact CB-CE2 4.01Å; A231-F270 HydrophobicContact CB-CZ 4.25Å; F270-L273 HydrophobicContact CD1-CD2 4.29Å; F270-L273 WeakPolarHBondContact O-CD1 3.2Å; F270-L273 VanDerWaalsContact O-CG 3.25Å; F270-L273 WeakPolarHBondContact O-CG 3.23Å; F270-M300 HydrophobicContact CB-CE 3.76Å; F270-L361 HydrophobicContact CE1-CD1 4.29Å; F270-L361 HydrophobicContact CZ-CD1 3.86Å
271A96.4Very high91.1Very high0 Ų047.9 Ų47.90%024%0.241CC..EExtended strand (participates in β ladder)trans-138.4145.9168.800000109.9L289 Q292 S364 V365A271-L289 HydrophobicContact CB-CD2 4.09Å; A271-Q292 HydrophobicContact CB-CB 3.72Å; A271-S364 CarbonylContact O-C 3.52Å; A271-S364 VanDerWaalsContact O-CA 3.25Å; A271-S364 WeakPolarHBondContact O-CA 3.38Å; A271-S364 VanDerWaalsContact O-CB 3.28Å; A271-S364 WeakPolarHBondContact O-CB 3.32Å; A271-V365 HydrophobicContact CB-CG1 3.8Å; A271-V365 PolarHBondContact N-O 2.85Å; A271-V365 PolarHBondContact O-N 3.02Å
272P95.3Very high90.3Very high15 Ų1549 Ų4910%0.09723%0.231CC..  cis-84.7142.99.733.5-35.5000114L284 L289 L361P272-L284 HydrophobicContact CB-CD2 3.52Å; P272-L284 HydrophobicContact CG-CD1 3.82Å; P272-L284 HydrophobicContact CG-CD2 3.74Å; P272-L284 HydrophobicContact CG-CG 4.44Å; P272-L289 HydrophobicContact CB-CD2 3.88Å; P272-L289 HydrophobicContact CG-CD2 4.24Å; P272-L361 HydrophobicContact CG-CD2 4.32Å
273L93.3Very high89.6Confident12 Ų1250.9 Ų50.96%0.06325%0.253CS..  trans-106.888.3167.3-66.4170.3000108.9I210 T214 L215 L228 F270 N298I210-L273 HydrophobicContact CD1-CD1 4.46Å; I210-L273 HydrophobicContact CG2-CD1 3.79Å; I210-L273 HydrophobicContact CG2-CD2 3.97Å; I210-L273 HydrophobicContact CG2-CG 4.41Å; T214-L273 HydrophobicContact CG2-CB 3.69Å; L215-L273 HydrophobicContact CD2-CB 4.2Å; L215-L273 HydrophobicContact CD2-CD2 4.24Å; L228-L273 HydrophobicContact CD1-CD2 3.66Å; F270-L273 HydrophobicContact CD1-CD2 4.29Å; F270-L273 WeakPolarHBondContact O-CD1 3.2Å; F270-L273 VanDerWaalsContact O-CG 3.25Å; F270-L273 WeakPolarHBondContact O-CG 3.23Å; L273-N298 HydrophobicContact CD1-CB 3.68Å
274T89.4Confident89.3Confident14 Ų1452.9 Ų52.99%0.08626%0.264CS..  trans-122.2126.8-177.9-580000110.4Q279T274-Q279 HydrophobicContact CG2-CG 3.89Å; T274-Q279 PolarHBondContact O-NE2 3.15Å
275S87.5Confident89.1Confident11 Ų1155.6 Ų55.68%0.07728%0.281CS..  trans-55.5142.8175.567.40000111.6L215 G277 S278 Q279L215-S275 VanDerWaalsContact O-CB 3.3Å; L215-S275 WeakPolarHBondContact O-CB 3.47Å; S275-G277 VanDerWaalsContact C-N 3.27Å; S275-G277 PolarHBondContact O-N 3.19Å; S275-G277 VanDerWaalsContact O-N 3.1Å; S275-S278 PolarHBondContact O-N 3.04Å; S275-S278 WeakPolarHBondContact OG-CB 3.23Å; S275-S278 PolarHBondContact OG-OG 2.99Å; S275-Q279 PolarHBondContact O-N 2.95Å
276R81.6Confident89Confident185 Ų18555.6 Ų55.670%0.69828%0.281SS*.G310 helixtrans-48.4-43.4-177.8-65-176.5-177.5176.63.7114.1S278 Q279R276-S278 VanDerWaalsContact C-N 3.26Å; R276-S278 PolarHBondContact O-N 3.25Å; R276-Q279 PolarHBondContact O-N 2.97Å
277G80.3Confident88.9Confident61 Ų6157.8 Ų57.863%0.62930%0.295SS*.G310 helixtrans-69.4-16.8-18000000115.4S275 Y281S275-G277 VanDerWaalsContact C-N 3.27Å; S275-G277 PolarHBondContact O-N 3.19Å; S275-G277 VanDerWaalsContact O-N 3.1Å; G277-Y281 WeakPolarHBondContact O-CD2 3.25Å; G277-Y281 WeakPolarHBondContact O-CE2 3.03Å
278S82.8Confident88.7Confident42 Ų4259.4 Ų59.429%0.29430%0.302SS..G310 helixtrans-101.1-16.6-178.7-550000112.9S275 R276 Q280 Y281 R282S275-S278 PolarHBondContact O-N 3.04Å; S275-S278 WeakPolarHBondContact OG-CB 3.23Å; S275-S278 PolarHBondContact OG-OG 2.99Å; R276-S278 VanDerWaalsContact C-N 3.26Å; R276-S278 PolarHBondContact O-N 3.25Å; S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 PolarHBondContact O-N 3.45Å; S278-Y281 PolarHBondContact O-N 3.3Å; S278-Y281 VanDerWaalsContact O-N 3.09Å; S278-R282 PolarHBondContact O-N 3.08Å
279Q79.2Confident88.7Confident108 Ų10859.4 Ų59.451%0.50530%0.302SS..G310 helixtrans-59.2-37.6-174.1-75.5179.3-15.600113T274 S275 R276 Y281T274-Q279 HydrophobicContact CG2-CG 3.89Å; T274-Q279 PolarHBondContact O-NE2 3.15Å; S275-Q279 PolarHBondContact O-N 2.95Å; R276-Q279 PolarHBondContact O-N 2.97Å; Q279-Y281 PolarHBondContact O-N 3.37Å
280Q78.5Confident88.7Confident174 Ų17459.4 Ų59.481%0.81330%0.302SS*.G310 helixtrans-70.9-18.2-179.8-65-179.11.700113.6S278S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 PolarHBondContact O-N 3.45Å
281Y79.5Confident88.6Confident195 Ų19565.2 Ų65.277%0.76533%0.33SS*.G310 helixtrans-104.4-2.8-174.2-56.3-75.2000113.3G277 S278 Q279G277-Y281 WeakPolarHBondContact O-CD2 3.25Å; G277-Y281 WeakPolarHBondContact O-CE2 3.03Å; S278-Y281 PolarHBondContact O-N 3.3Å; S278-Y281 VanDerWaalsContact O-N 3.09Å; Q279-Y281 PolarHBondContact O-N 3.37Å
282R78.2Confident88.5Confident131 Ų13166.2 Ų66.249%0.49433%0.334SS..  trans-108.1135.1178.8-79.3-158.8177.2-179.53.8111.6S278 E288S278-R282 PolarHBondContact O-N 3.08Å; R282-E288 VanDerWaalsContact CD-OE1 3.29Å; R282-E288 WeakPolarHBondContact CD-OE1 3.26Å; R282-E288 IonicContact CZ-OE1 2.89Å; R282-E288 IonicContact NE-OE1 3.96Å; R282-E288 IonicContact NH1-OE1 3.96Å; R282-E288 PolarHBondContact NH1-OE1 3.14Å
283S83Confident88.4Confident100 Ų10065.6 Ų65.670%0.69933%0.33SS*.  trans-95.6113.7164-1760000108.3
284L89.9Confident88.4Confident42 Ų4266.5 Ų66.522%0.2233%0.333CS..  trans-66.8135.9175.5-63.2172000110.3P272 L289 M363P272-L284 HydrophobicContact CB-CD2 3.52Å; P272-L284 HydrophobicContact CG-CD1 3.82Å; P272-L284 HydrophobicContact CG-CD2 3.74Å; P272-L284 HydrophobicContact CG-CG 4.44Å; L284-L289 HydrophobicContact CD2-CD2 4.49Å; L284-M363 HydrophobicContact CB-CG 3.82Å; L284-M363 HydrophobicContact CB-SD 3.95Å; L284-M363 HydrophobicContact CD1-CG 4.34Å
285T94.1Very high88.5Confident58 Ų5868.9 Ų68.936%0.35635%0.346SS..  trans-138.9158.7178.162.80000110.1E288 L289T285-E288 PolarHBondContact O-N 3.1Å; T285-E288 WeakPolarHBondContact OG1-CB 3.39Å; T285-E288 PolarHBondContact OG1-N 3.34Å; T285-L289 WeakPolarHBondContact O-CG 3.39Å; T285-L289 PolarHBondContact O-N 2.75Å
286V95.8Very high88.7Confident2 Ų269.6 Ų69.61%0.01235%0.352CS..Hα-helixtrans-56.5-47.9176.7178.20000111.7E288 L289 T290 F317 M321 E325 V326 Q329 M363V286-E288 VanDerWaalsContact C-N 3.31Å; V286-E288 PolarHBondContact O-N 3.45Å; V286-L289 PolarHBondContact O-N 3.05Å; V286-T290 PolarHBondContact O-N 3.4Å; V286-T290 PolarHBondContact O-OG1 3.47Å; V286-F317 HydrophobicContact CG1-CE1 4.11Å; V286-F317 HydrophobicContact CG1-CZ 4.46Å; V286-M321 HydrophobicContact CG2-CB 4.07Å; V286-M321 HydrophobicContact CG2-CG 4.42Å; V286-M321 HydrophobicContact CG2-SD 3.93Å; V286-E325 HydrophobicContact CB-CG 4.04Å; V286-E325 HydrophobicContact CG1-CG 4.34Å; V286-E325 HydrophobicContact CG2-CG 4.29Å; V286-V326 HydrophobicContact CG1-CB 4.41Å; V286-V326 HydrophobicContact CG1-CG2 3.86Å; V286-V326 HydrophobicContact CG2-CG2 4.16Å; V286-Q329 HydrophobicContact CG1-CB 4.16Å; V286-Q329 HydrophobicContact CG1-CG 4.01Å; V286-M363 HydrophobicContact CG2-CE 3.7Å
287P95.5Very high89.2Confident45 Ų4568 Ų6829%0.29235%0.35SS..Hα-helixtrans-58.7-38.9177.5-22.732.2000113.7Q291 Q329P287-Q291 WeakPolarHBondContact O-CB 3.43Å; P287-Q291 PolarHBondContact O-N 2.89Å; P287-Q329 HydrophobicContact CB-CG 4.26Å; P287-Q329 HydrophobicContact CG-CG 3.87Å
288E94Very high89.8Confident34 Ų3465.5 Ų65.516%0.15932%0.323CS..Hα-helixtrans-66-43.7178-175.3-175.4177.600111.6R282 T285 V286 Q291 Q292R282-E288 VanDerWaalsContact CD-OE1 3.29Å; R282-E288 WeakPolarHBondContact CD-OE1 3.26Å; R282-E288 IonicContact CZ-OE1 2.89Å; R282-E288 IonicContact NE-OE1 3.96Å; R282-E288 IonicContact NH1-OE1 3.96Å; R282-E288 PolarHBondContact NH1-OE1 3.14Å; T285-E288 PolarHBondContact O-N 3.1Å; T285-E288 WeakPolarHBondContact OG1-CB 3.39Å; T285-E288 PolarHBondContact OG1-N 3.34Å; V286-E288 VanDerWaalsContact C-N 3.31Å; V286-E288 PolarHBondContact O-N 3.45Å; E288-Q291 PolarHBondContact O-N 3.25Å; E288-Q292 WeakPolarHBondContact O-CG 3.45Å; E288-Q292 PolarHBondContact O-N 3.12Å; E288-Q292 PolarHBondContact OE1-NE2 3.28Å
289L96.3Very high90.4Very high0 Ų063.6 Ų63.60%031%0.309CS..Hα-helixtrans-62.9-48.7176.4-71.4-169.7000111.3A271 P272 L284 T285 V286 Q291 Q292 M293 F317 M363 V365A271-L289 HydrophobicContact CB-CD2 4.09Å; P272-L289 HydrophobicContact CB-CD2 3.88Å; P272-L289 HydrophobicContact CG-CD2 4.24Å; L284-L289 HydrophobicContact CD2-CD2 4.49Å; T285-L289 WeakPolarHBondContact O-CG 3.39Å; T285-L289 PolarHBondContact O-N 2.75Å; V286-L289 PolarHBondContact O-N 3.05Å; L289-Q291 VanDerWaalsContact C-N 3.28Å; L289-Q291 PolarHBondContact O-N 3.13Å; L289-Q292 PolarHBondContact O-N 2.86Å; L289-Q292 VanDerWaalsContact O-N 3.13Å; L289-M293 WeakPolarHBondContact O-CG 3.37Å; L289-M293 PolarHBondContact O-N 2.82Å; L289-F317 HydrophobicContact CB-CE1 4.26Å; L289-F317 HydrophobicContact CD1-CD1 4.44Å; L289-F317 HydrophobicContact CD1-CE1 4.48Å; L289-M363 HydrophobicContact CD1-CB 4.32Å; L289-M363 HydrophobicContact CD1-CE 3.82Å; L289-M363 HydrophobicContact CD1-CG 3.97Å; L289-M363 HydrophobicContact CD1-SD 4.4Å; L289-V365 HydrophobicContact CB-CG1 3.75Å; L289-V365 HydrophobicContact CD1-CB 4.41Å; L289-V365 HydrophobicContact CD1-CG1 4.22Å; L289-V365 HydrophobicContact CD2-CG1 4.48Å; L289-V365 HydrophobicContact CG-CG1 4.39Å
290T95.8Very high91.1Very high3 Ų358.5 Ų58.52%0.01829%0.285CS..Hα-helixtrans-58.3-41.1177.4-57.50000111.5V286 M293 Q329 M330 V333V286-T290 PolarHBondContact O-N 3.4Å; V286-T290 PolarHBondContact O-OG1 3.47Å; T290-M293 PolarHBondContact O-N 3.29Å; T290-Q329 HydrophobicContact CG2-CB 4.3Å; T290-M330 HydrophobicContact CG2-SD 3.89Å; T290-V333 HydrophobicContact CG2-CB 3.84Å; T290-V333 HydrophobicContact CG2-CG1 3.61Å; T290-V333 HydrophobicContact CG2-CG2 4.29Å
291Q94.1Very high91.8Very high138 Ų13850.3 Ų50.365%0.64525%0.247SC*.Hα-helixtrans-65-41.3176.5-174.5177.210.300112.3P287 E288 L289 D295P287-Q291 WeakPolarHBondContact O-CB 3.43Å; P287-Q291 PolarHBondContact O-N 2.89Å; E288-Q291 PolarHBondContact O-N 3.25Å; L289-Q291 VanDerWaalsContact C-N 3.28Å; L289-Q291 PolarHBondContact O-N 3.13Å; Q291-D295 PolarHBondContact O-N 3.47Å
292Q94.6Very high92.4Very high20 Ų2042.9 Ų42.99%0.09323%0.226CC..Hα-helixtrans-66.9-35.4179-76.5-176.84100112.6A271 E288 L289 F294 D295 N298A271-Q292 HydrophobicContact CB-CB 3.72Å; E288-Q292 WeakPolarHBondContact O-CG 3.45Å; E288-Q292 PolarHBondContact O-N 3.12Å; E288-Q292 PolarHBondContact OE1-NE2 3.28Å; L289-Q292 PolarHBondContact O-N 2.86Å; L289-Q292 VanDerWaalsContact O-N 3.13Å; Q292-F294 VanDerWaalsContact C-N 3.28Å; Q292-F294 PolarHBondContact O-N 3.29Å; Q292-D295 PolarHBondContact O-N 3.2Å; Q292-N298 WeakPolarHBondContact O-CB 3.24Å; Q292-N298 PolarHBondContact O-ND2 3Å
293M93.5Very high93Very high3 Ų337 Ų372%0.01521%0.205CC..Hα-helixtrans-59.9-37.2178.7-71.4161.654.600113.3L289 T290 M299 A315 F317 M330 V365 F367L289-M293 WeakPolarHBondContact O-CG 3.37Å; L289-M293 PolarHBondContact O-N 2.82Å; T290-M293 PolarHBondContact O-N 3.29Å; M293-M299 WeakPolarHBondContact O-CE 3.49Å; M293-A315 HydrophobicContact CE-CB 3.34Å; M293-A315 HydrophobicContact SD-CB 4.44Å; M293-F317 HydrophobicContact SD-CE2 4.49Å; M293-F317 HydrophobicContact SD-CZ 4.03Å; M293-M330 HydrophobicContact CE-CE 4.38Å; M293-M330 HydrophobicContact CE-SD 4.17Å; M293-V365 HydrophobicContact CE-CG2 4.01Å; M293-V365 HydrophobicContact CG-CB 4.37Å; M293-V365 HydrophobicContact CG-CG1 3.37Å; M293-V365 HydrophobicContact CG-CG2 4.15Å; M293-V365 HydrophobicContact SD-CB 3.87Å; M293-V365 HydrophobicContact SD-CG1 3.33Å; M293-V365 WeakPolarHBondContact SD-CG1 3.33Å; M293-V365 HydrophobicContact SD-CG2 3.26Å; M293-V365 WeakPolarHBondContact SD-CG2 3.33Å; M293-F367 HydrophobicContact CB-CB 4.15Å; M293-F367 HydrophobicContact CB-CD2 4.08Å; M293-F367 HydrophobicContact CB-CG 4.39Å; M293-F367 HydrophobicContact CE-CB 4.29Å; M293-F367 HydrophobicContact CE-CD2 3.73Å; M293-F367 HydrophobicContact CG-CB 4.17Å
294F92.2Very high93.4Very high30 Ų3033.4 Ų33.413%0.13218%0.178CC..THydrogen-bonded Turntrans-93.67-178.3-75.7-90.9000113.1Q292 Y310 V313 M330 V333 F341 F367Q292-F294 VanDerWaalsContact C-N 3.28Å; Q292-F294 PolarHBondContact O-N 3.29Å; F294-Y310 HydrophobicContact CD1-CE2 4.25Å; F294-Y310 HydrophobicContact CE1-CE2 4.26Å; F294-V313 HydrophobicContact CZ-CG1 4.06Å; F294-M330 HydrophobicContact CE2-CE 4.25Å; F294-M330 HydrophobicContact CZ-CE 4.5Å; F294-V333 HydrophobicContact CB-CG2 4.2Å; F294-V333 HydrophobicContact CD1-CG2 4.47Å; F294-V333 HydrophobicContact CD2-CB 4.36Å; F294-V333 HydrophobicContact CD2-CG1 3.87Å; F294-V333 HydrophobicContact CD2-CG2 3.52Å; F294-V333 HydrophobicContact CE2-CB 4.34Å; F294-V333 HydrophobicContact CE2-CG1 3.39Å; F294-V333 HydrophobicContact CE2-CG2 3.94Å; F294-V333 HydrophobicContact CG-CG2 3.81Å; F294-V333 HydrophobicContact CZ-CG1 3.91Å; F294-F341 HydrophobicContact CE1-CE2 4.28Å; F294-F341 AromaticContact CE1-CZ 3.87Å; F294-F341 HydrophobicContact CE1-CZ 3.87Å; F294-F341 HydrophobicContact CZ-CZ 4.26Å; F294-F367 HydrophobicContact CD1-CE2 4.42Å; F294-F367 HydrophobicContact CE1-CE2 4.04Å; F294-F367 HydrophobicContact CE2-CE2 4.34Å; F294-F367 HydrophobicContact CZ-CE2 4.02Å
295D92.7Very high93.4Very high65 Ų6531.7 Ų31.735%0.34817%0.17SC..  trans-81.4117.7169.5-168.9-20.4000108.9Q291 Q292 K297 N298Q291-D295 PolarHBondContact O-N 3.47Å; Q292-D295 PolarHBondContact O-N 3.2Å; D295-K297 PolarHBondContact O-N 3.46Å; D295-K297 WeakPolarHBondContact OD1-CB 3.49Å; D295-K297 WeakPolarHBondContact OD1-CG 3.04Å; D295-K297 PolarHBondContact OD1-N 2.89Å; D295-N298 WeakPolarHBondContact O-CB 3.19Å; D295-N298 PolarHBondContact O-N 2.81Å
296A91.8Very high93.3Very high26 Ų2636 Ų3622%0.21518%0.179CC..G310 helixtrans-51.8-29.3177.800000112.7N298 M299A296-N298 PolarHBondContact O-N 3.45Å; A296-M299 PolarHBondContact O-N 3.21Å
297K92.3Very high93.2Very high151 Ų15141.3 Ų41.366%0.65720%0.204SC*.G310 helixtrans-70.4-12.8178.8-61.8172.1-173.4168.30114.3I210 D295I210-K297 VanDerWaalsContact CG1-O 3.25Å; I210-K297 WeakPolarHBondContact CG1-O 3.38Å; D295-K297 PolarHBondContact O-N 3.46Å; D295-K297 WeakPolarHBondContact OD1-CB 3.49Å; D295-K297 WeakPolarHBondContact OD1-CG 3.04Å; D295-K297 PolarHBondContact OD1-N 2.89Å
298N92.6Very high93.2Very high8 Ų839.3 Ų39.34%0.04319%0.192CC..G310 helixtrans-104.8-3-179.5-65.4-18.7000112.4L273 Q292 D295 A296L273-N298 HydrophobicContact CD1-CB 3.68Å; Q292-N298 WeakPolarHBondContact O-CB 3.24Å; Q292-N298 PolarHBondContact O-ND2 3Å; D295-N298 WeakPolarHBondContact O-CB 3.19Å; D295-N298 PolarHBondContact O-N 2.81Å; A296-N298 PolarHBondContact O-N 3.45Å
299M94.1Very high93.3Very high3 Ų341.5 Ų41.52%0.01520%0.198CC..BIsolated β-bridgetrans-75143.5173-58.7-59.9-177.500109.8M293 A296 A301 P305 Y310 F367M293-M299 WeakPolarHBondContact O-CE 3.49Å; A296-M299 PolarHBondContact O-N 3.21Å; M299-A301 VanDerWaalsContact C-N 3.28Å; M299-P305 HydrophobicContact CE-CG 4.42Å; M299-Y310 WeakPolarHBondContact CE-OH 3.35Å; M299-F367 HydrophobicContact CE-CD1 3.66Å; M299-F367 HydrophobicContact CE-CE1 3.31Å; M299-F367 HydrophobicContact CE-CE2 4.4Å; M299-F367 HydrophobicContact CE-CG 4.36Å; M299-F367 HydrophobicContact CE-CZ 3.73Å; M299-F367 HydrophobicContact SD-CD1 3.44Å; M299-F367 WeakPolarHBondContact SD-CD1 3.36Å; M299-F367 HydrophobicContact SD-CE1 3.52Å; M299-F367 VanDerWaalsContact SD-CE1 3.52Å; M299-F367 HydrophobicContact SD-CG 4.39Å
300M95Very high93.3Very high0 Ų041.7 Ų41.70%020%0.199CC..SBendtrans-895.5178.8-56.6-170.3-175.900112.9I202 D203 L207 I210 L228 T232 P268 F270I202-M300 CarbonylContact C-O 3.43Å; D203-M300 WeakPolarHBondContact CB-O 3.29Å; D203-M300 PolarHBondContact N-O 2.95Å; L207-M300 HydrophobicContact CD2-CB 4.16Å; L207-M300 HydrophobicContact CD2-CG 3.98Å; L207-M300 HydrophobicContact CD2-SD 3.84Å; I210-M300 HydrophobicContact CD1-CG 4.32Å; L228-M300 HydrophobicContact CD1-CE 3.41Å; L228-M300 VanDerWaalsContact CD1-CE 3.41Å; L228-M300 HydrophobicContact CD2-CE 4.02Å; L228-M300 HydrophobicContact CG-CE 3.41Å; L228-M300 VanDerWaalsContact CG-CE 3.41Å; L228-M300 HydrophobicContact CG-SD 4.21Å; T232-M300 HydrophobicContact CG2-CE 4.32Å; T232-M300 HydrophobicContact CG2-SD 4.09Å; T232-M300 WeakPolarHBondContact OG1-CE 3.42Å; T232-M300 PolarHBondContact OG1-SD 2.88Å; T232-M300 VanDerWaalsContact OG1-SD 3.35Å; P268-M300 HydrophobicContact CG-CB 4.18Å; P268-M300 WeakPolarHBondContact O-CB 3.44Å; P268-M300 PolarHBondContact O-N 2.89Å; F270-M300 HydrophobicContact CB-CE 3.76Å
301A93.1Very high93.3Very high2 Ų241.6 Ų41.62%0.01720%0.198CC..SBendtrans-112.8134.7168.300000108.3M267 M299 C303 I374 L377M267-A301 HydrophobicContact CB-CB 4.21Å; M267-A301 HydrophobicContact CG-CB 3.71Å; M267-A301 HydrophobicContact SD-CB 4.15Å; M299-A301 VanDerWaalsContact C-N 3.28Å; A301-C303 PolarHBondContact O-N 2.92Å; A301-I374 HydrophobicContact CB-CD1 4.29Å; A301-L377 HydrophobicContact CB-CD1 4.4Å
302A91.1Very high93.4Very high39 Ų3935.3 Ų35.332%0.32217%0.169SC..SBendtrans-79.361.7179.100000111.3D203 E205 A206D203-A302 WeakPolarHBondContact OD2-CB 3.48Å; D203-A302 PolarHBondContact OD2-N 3.34Å; E205-A302 HydrophobicContact CB-CB 4.37Å; A206-A302 HydrophobicContact CB-CB 4.24Å
303C90.8Very high93.5Very high7 Ų734.3 Ų34.35%0.04717%0.165CC..  trans-124.3146.1172.8-52.50000108.6M267 A301 P305 A373 E376M267-C303 HydrophobicContact SD-CB 3.71Å; A301-C303 PolarHBondContact O-N 2.92Å; C303-P305 WeakPolarHBondContact O-CD 3.45Å; C303-A373 HydrophobicContact CB-CB 4.37Å; C303-A373 WeakPolarHBondContact CB-O 3.4Å; C303-E376 WeakPolarHBondContact CA-OE2 3.29Å; C303-E376 HydrophobicContact CB-CB 4.4Å
304D91.6Very high93.5Very high26 Ų2634.2 Ų34.214%0.13916%0.164CC..  trans-95.3110.5172.2-166.9-18.4000109.9R306 H307 A373 E376D304-R306 VanDerWaalsContact CG-NE 3.32Å; D304-R306 PolarHBondContact O-N 2.74Å; D304-R306 WeakPolarHBondContact OD1-CB 3.48Å; D304-R306 WeakPolarHBondContact OD1-CG 3.13Å; D304-R306 IonicContact OD1-CZ 3.17Å; D304-R306 PolarHBondContact OD1-N 2.71Å; D304-R306 VanDerWaalsContact OD1-N 3.12Å; D304-R306 IonicContact OD1-NE 3.61Å; D304-R306 PolarHBondContact OD1-NE 3.36Å; D304-R306 IonicContact OD1-NH2 3.68Å; D304-R306 IonicContact OD2-CZ 3.84Å; D304-R306 IonicContact OD2-NE 3.1Å; D304-R306 PolarHBondContact OD2-NE 2.89Å; D304-R306 IonicContact OD2-NH2 2.56Å; D304-R306 PolarHBondContact OD2-NH2 3.43Å; D304-H307 WeakPolarHBondContact O-CB 3.19Å; D304-H307 PolarHBondContact O-N 2.81Å; D304-H307 IonicContact OD2-CE1 3.6Å; D304-H307 IonicContact OD2-NE2 3.42Å; D304-A373 WeakPolarHBondContact O-CB 3.48Å; D304-E376 PolarHBondContact N-OE2 2.69Å
305P91.2Very high93.7Very high6 Ų632.8 Ų32.84%0.03916%0.158CC..G310 helixtrans-58.8-18.1-179.9-23.134.1000113.8M267 M299 C303 H307 G308 Y310M267-P305 HydrophobicContact CE-CG 4.36Å; M299-P305 HydrophobicContact CE-CG 4.42Å; C303-P305 WeakPolarHBondContact O-CD 3.45Å; P305-H307 PolarHBondContact O-N 3.09Å; P305-G308 CarbonylContact O-C 3.53Å; P305-G308 PolarHBondContact O-N 2.81Å; P305-G308 VanDerWaalsContact O-O 3.09Å; P305-Y310 HydrophobicContact CB-CE1 4.15Å; P305-Y310 HydrophobicContact CB-CE2 3.86Å; P305-Y310 VanDerWaalsContact CB-CZ 3.47Å; P305-Y310 WeakPolarHBondContact CB-OH 3.05Å; P305-Y310 VanDerWaalsContact CG-OH 3.25Å; P305-Y310 WeakPolarHBondContact CG-OH 3.32Å
306R91.1Very high93.7Very high147 Ų14729.9 Ų29.956%0.55514%0.143SC*.G310 helixtrans-71.5-17.6175.5-60.6172.9-71.5177.8-3.9113.3D304 G308 Y340D304-R306 VanDerWaalsContact CG-NE 3.32Å; D304-R306 PolarHBondContact O-N 2.74Å; D304-R306 WeakPolarHBondContact OD1-CB 3.48Å; D304-R306 WeakPolarHBondContact OD1-CG 3.13Å; D304-R306 IonicContact OD1-CZ 3.17Å; D304-R306 PolarHBondContact OD1-N 2.71Å; D304-R306 VanDerWaalsContact OD1-N 3.12Å; D304-R306 IonicContact OD1-NE 3.61Å; D304-R306 PolarHBondContact OD1-NE 3.36Å; D304-R306 IonicContact OD1-NH2 3.68Å; D304-R306 IonicContact OD2-CZ 3.84Å; D304-R306 IonicContact OD2-NE 3.1Å; D304-R306 PolarHBondContact OD2-NE 2.89Å; D304-R306 IonicContact OD2-NH2 2.56Å; D304-R306 PolarHBondContact OD2-NH2 3.43Å; R306-G308 VanDerWaalsContact C-N 3.31Å; R306-Y340 HydrophobicContact CB-CE1 4.1Å; R306-Y340 HydrophobicContact CG-CE1 4.16Å; R306-Y340 HydrophobicContact CG-CE2 4.03Å
307H93.8Very high93.8Very high114 Ų11428.7 Ų28.753%0.52813%0.133SC..G310 helixtrans-89.81.1175-58.8163.4000112.7D304 P305 E376D304-H307 WeakPolarHBondContact O-CB 3.19Å; D304-H307 PolarHBondContact O-N 2.81Å; D304-H307 IonicContact OD2-CE1 3.6Å; D304-H307 IonicContact OD2-NE2 3.42Å; P305-H307 PolarHBondContact O-N 3.09Å; H307-E376 WeakPolarHBondContact CB-OE1 3.37Å; H307-E376 IonicContact CE1-OE1 2.88Å; H307-E376 IonicContact CG-OE1 3.82Å; H307-E376 IonicContact ND1-OE1 2.58Å; H307-E376 PolarHBondContact ND1-OE1 2.88Å; H307-E376 IonicContact ND1-OE2 3.08Å
308G94.9Very high93.9Very high4 Ų421.6 Ų21.64%0.04110%0.102CC..SBendtrans-142.3-156.7173.600000112.3P305 R306 T372 Q426P305-G308 CarbonylContact O-C 3.53Å; P305-G308 PolarHBondContact O-N 2.81Å; P305-G308 VanDerWaalsContact O-O 3.09Å; R306-G308 VanDerWaalsContact C-N 3.31Å; G308-T372 WeakPolarHBondContact CA-OG1 3.47Å; G308-Q426 VanDerWaalsContact CA-OE1 3.25Å
309R96.2Very high93.8Very high79 Ų7921.2 Ų21.230%0.29810%0.1SC..  trans-129.2141.5176.6-60.4-65.4-174.7126.4-0.3109.7L311 S339 Y340 F341 V342 S371 T372 Q426R309-L311 PolarHBondContact O-N 3.16Å; R309-S339 WeakPolarHBondContact CD-O 3.26Å; R309-S339 PolarHBondContact NE-O 3.22Å; R309-S339 VanDerWaalsContact NH1-C 3.34Å; R309-S339 PolarHBondContact NH1-O 3.09Å; R309-Y340 CarbonylContact C-O 3.45Å; R309-Y340 VanDerWaalsContact CA-O 3.29Å; R309-Y340 WeakPolarHBondContact CA-O 3.18Å; R309-F341 PolarHBondContact NH1-O 2.95Å; R309-F341 VanDerWaalsContact NH1-O 3.1Å; R309-V342 HydrophobicContact CB-CG1 3.59Å; R309-V342 HydrophobicContact CG-CG1 4.32Å; R309-S371 CarbonylContact O-C 3.59Å; R309-S371 WeakPolarHBondContact O-CA 3.33Å; R309-S371 VanDerWaalsContact O-CB 3.24Å; R309-S371 WeakPolarHBondContact O-CB 3.39Å; R309-S371 PolarHBondContact O-OG 3.39Å; R309-T372 PolarHBondContact N-OG1 2.92Å; R309-T372 PolarHBondContact O-N 3.38Å; R309-T372 PolarHBondContact O-OG1 2.84Å; R309-Q426 HydrophobicContact CG-CG 4.05Å
310Y96.5Very high93.5Very high5 Ų531.9 Ų31.92%0.0214%0.14CC..EExtended strand (participates in β ladder)trans-72.3120.5165.9-70.5-69.5000108.8F294 M299 P305 V313 Y340 F341 V342 F367 N370F294-Y310 HydrophobicContact CD1-CE2 4.25Å; F294-Y310 HydrophobicContact CE1-CE2 4.26Å; M299-Y310 WeakPolarHBondContact CE-OH 3.35Å; P305-Y310 HydrophobicContact CB-CE1 4.15Å; P305-Y310 HydrophobicContact CB-CE2 3.86Å; P305-Y310 VanDerWaalsContact CB-CZ 3.47Å; P305-Y310 WeakPolarHBondContact CB-OH 3.05Å; P305-Y310 VanDerWaalsContact CG-OH 3.25Å; P305-Y310 WeakPolarHBondContact CG-OH 3.32Å; Y310-V313 HydrophobicContact CD1-CG2 3.55Å; Y310-V313 HydrophobicContact CD2-CG2 4.46Å; Y310-V313 HydrophobicContact CE1-CG2 4.12Å; Y310-V313 HydrophobicContact CG-CG2 3.77Å; Y310-Y340 WeakPolarHBondContact CD2-O 3.28Å; Y310-Y340 PolarHBondContact N-O 3.05Å; Y310-F341 HydrophobicContact CD2-CD2 4.45Å; Y310-F341 HydrophobicContact CD2-CE1 4.27Å; Y310-F341 HydrophobicContact CD2-CE2 4.12Å; Y310-F341 HydrophobicContact CD2-CZ 4.04Å; Y310-F341 HydrophobicContact CG-CD1 4.44Å; Y310-F341 HydrophobicContact CG-CE1 4.16Å; Y310-F341 HydrophobicContact CG-CZ 4.35Å; Y310-V342 PolarHBondContact O-N 3.46Å; Y310-F367 HydrophobicContact CD1-CZ 4.39Å; Y310-F367 HydrophobicContact CE1-CE1 4.18Å; Y310-F367 AromaticContact CE1-CZ 3.59Å; Y310-F367 HydrophobicContact CE1-CZ 3.59Å; Y310-F367 AromaticContact CZ-CZ 3.93Å; Y310-N370 CarbonylContact C-O 3.59Å; Y310-N370 WeakPolarHBondContact CA-O 3.25Å
311L96.9Very high93.3Very high0 Ų033.4 Ų33.40%015%0.147CC..EExtended strand (participates in β ladder)trans-73.8-53.2167.2-55-179000108.6P259 L263 R309 V342 W344 I345 N348 N370 T372 Y422P259-L311 HydrophobicContact CG-CB 4.25Å; P259-L311 HydrophobicContact CG-CD1 4.1Å; L263-L311 HydrophobicContact CB-CD1 4.25Å; L263-L311 HydrophobicContact CD2-CD1 3.76Å; L263-L311 HydrophobicContact CG-CD1 4.48Å; R309-L311 PolarHBondContact O-N 3.16Å; L311-V342 HydrophobicContact CD2-CG1 3.74Å; L311-V342 HydrophobicContact CD2-CG2 4.35Å; L311-W344 HydrophobicContact CD2-CH2 3.86Å; L311-W344 HydrophobicContact CD2-CZ2 3.73Å; L311-I345 HydrophobicContact CB-CD1 4.08Å; L311-I345 WeakPolarHBondContact O-CD1 3.43Å; L311-N348 WeakPolarHBondContact O-CB 3.33Å; L311-N370 HydrophobicContact CB-CB 4.37Å; L311-N370 PolarHBondContact N-O 3.13Å; L311-T372 HydrophobicContact CD2-CG2 3.83Å; L311-T372 HydrophobicContact CG-CG2 4.21Å; L311-Y422 HydrophobicContact CD1-CE1 4.42Å
312T95.9Very high93.3Very high6 Ų636.1 Ų36.14%0.03717%0.166CC..EExtended strand (participates in β ladder)trans-145.2155.1177.366.40000111M257 I345 N348 N370M257-T312 WeakPolarHBondContact CA-OG1 3.33Å; M257-T312 VanDerWaalsContact CE-OG1 3.29Å; M257-T312 WeakPolarHBondContact CE-OG1 3.39Å; M257-T312 PolarHBondContact O-OG1 3.01Å; T312-I345 HydrophobicContact CG2-CD1 4.34Å; T312-N348 CarbonylContact C-O 3.3Å; T312-N348 VanDerWaalsContact CA-O 3.27Å; T312-N348 WeakPolarHBondContact CA-O 3.4Å; T312-N370 PolarHBondContact N-O 3.06Å; T312-N370 PolarHBondContact O-N 2.81Å; T312-N370 VanDerWaalsContact OG1-CB 3.26Å; T312-N370 WeakPolarHBondContact OG1-CB 3.48Å
313V95.7Very high93.2Very high0 Ų038 Ų380%017%0.169CC..EExtended strand (participates in β ladder)trans-137.1137.5176.8166.50000109.5F294 Y310 F341 N348 V349 K350 F367 I368F294-V313 HydrophobicContact CZ-CG1 4.06Å; Y310-V313 HydrophobicContact CD1-CG2 3.55Å; Y310-V313 HydrophobicContact CD2-CG2 4.46Å; Y310-V313 HydrophobicContact CE1-CG2 4.12Å; Y310-V313 HydrophobicContact CG-CG2 3.77Å; V313-F341 HydrophobicContact CB-CE1 4.18Å; V313-F341 HydrophobicContact CG2-CE1 3.66Å; V313-F341 HydrophobicContact CG2-CZ 3.98Å; V313-N348 PolarHBondContact N-O 3.12Å; V313-V349 HydrophobicContact CB-CG2 4.34Å; V313-V349 HydrophobicContact CG1-CG1 4.49Å; V313-V349 CarbonylContact O-C 3.5Å; V313-V349 WeakPolarHBondContact O-CA 3.32Å; V313-K350 PolarHBondContact O-N 3.43Å; V313-F367 HydrophobicContact CB-CE2 4.33Å; V313-F367 HydrophobicContact CG1-CD2 4.01Å; V313-F367 HydrophobicContact CG1-CE2 3.38Å; V313-F367 HydrophobicContact CG1-CZ 4.11Å; V313-F367 HydrophobicContact CG2-CE2 4.01Å; V313-F367 HydrophobicContact CG2-CZ 3.95Å; V313-I368 CarbonylContact C-O 3.57Å; V313-I368 WeakPolarHBondContact CA-O 3.39Å
314A94.4Very high93.4Very high0 Ų044.4 Ų44.40%020%0.196CC..EExtended strand (participates in β ladder)trans-122.4139.7168.500000111.4M257 M316 K350 I368M257-A314 HydrophobicContact CE-CB 3.83Å; M257-A314 HydrophobicContact SD-CB 3.51Å; M257-A314 VanDerWaalsContact SD-CB 3.51Å; A314-M316 HydrophobicContact CB-CE 4.02Å; A314-K350 CarbonylContact C-O 3.47Å; A314-K350 VanDerWaalsContact CA-O 3.31Å; A314-K350 WeakPolarHBondContact CA-O 3.47Å; A314-K350 HydrophobicContact CB-CB 4.44Å; A314-I368 HydrophobicContact CB-CB 4.12Å; A314-I368 HydrophobicContact CB-CD1 4.35Å; A314-I368 PolarHBondContact N-O 2.85Å; A314-I368 PolarHBondContact O-N 3.06Å
315A94.9Very high93.6Very high0 Ų046.6 Ų46.60%021%0.205CC..EExtended strand (participates in β ladder)trans-124.9111.7177.700000110.3M293 F317 M330 K350 T351 A352 V365M293-A315 HydrophobicContact CE-CB 3.34Å; M293-A315 HydrophobicContact SD-CB 4.44Å; A315-F317 HydrophobicContact CB-CD2 4.17Å; A315-F317 HydrophobicContact CB-CE2 3.73Å; A315-M330 HydrophobicContact CB-CE 3.74Å; A315-M330 HydrophobicContact CB-SD 4.02Å; A315-K350 PolarHBondContact N-O 3.39Å; A315-T351 HydrophobicContact CB-CG2 4.47Å; A315-T351 WeakPolarHBondContact O-CA 3.26Å; A315-A352 PolarHBondContact O-N 2.96Å; A315-V365 HydrophobicContact CB-CG2 4.32Å
316M93.9Very high93.8Very high5 Ų546.3 Ų46.33%0.02520%0.204CC..EExtended strand (participates in β ladder)trans-102.287.8-178.1-56.7-65.6170.300109.4L253 A314 A352 V365 T366 I368L253-M316 HydrophobicContact CD1-CE 4.15Å; A314-M316 HydrophobicContact CB-CE 4.02Å; M316-A352 HydrophobicContact SD-CB 3.42Å; M316-A352 WeakPolarHBondContact SD-CB 3.02Å; M316-V365 WeakPolarHBondContact O-CA 3.45Å; M316-T366 PolarHBondContact N-O 3.13Å; M316-T366 PolarHBondContact O-N 3.26Å; M316-I368 HydrophobicContact CE-CD1 4.38Å
317F94.6Very high93.9Very high1 Ų142.3 Ų42.30%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-75.8141.5177.6-74.1-92.3000111.1V286 L289 M293 A315 M321 V326 M330 A352 V353 C354 V365V286-F317 HydrophobicContact CG1-CE1 4.11Å; V286-F317 HydrophobicContact CG1-CZ 4.46Å; L289-F317 HydrophobicContact CB-CE1 4.26Å; L289-F317 HydrophobicContact CD1-CD1 4.44Å; L289-F317 HydrophobicContact CD1-CE1 4.48Å; M293-F317 HydrophobicContact SD-CE2 4.49Å; M293-F317 HydrophobicContact SD-CZ 4.03Å; A315-F317 HydrophobicContact CB-CD2 4.17Å; A315-F317 HydrophobicContact CB-CE2 3.73Å; F317-M321 HydrophobicContact CB-CE 3.98Å; F317-M321 HydrophobicContact CB-SD 3.69Å; F317-M321 HydrophobicContact CD1-CE 4.28Å; F317-M321 HydrophobicContact CD1-SD 3.58Å; F317-M321 VanDerWaalsContact CD1-SD 3.58Å; F317-M321 HydrophobicContact CG-SD 3.93Å; F317-V326 HydrophobicContact CD1-CG2 4.31Å; F317-V326 HydrophobicContact CD2-CG1 3.56Å; F317-V326 HydrophobicContact CD2-CG2 4.39Å; F317-V326 HydrophobicContact CE2-CG1 3.53Å; F317-V326 HydrophobicContact CG-CG1 4.22Å; F317-V326 HydrophobicContact CG-CG2 4.22Å; F317-V326 HydrophobicContact CZ-CG1 4.16Å; F317-M330 HydrophobicContact CE2-CG 4.17Å; F317-M330 HydrophobicContact CE2-SD 4.03Å; F317-M330 HydrophobicContact CZ-SD 4.2Å; F317-A352 WeakPolarHBondContact CB-O 3.3Å; F317-A352 PolarHBondContact N-O 3.05Å; F317-V353 HydrophobicContact CB-CG2 4.22Å; F317-V353 CarbonylContact O-C 3.49Å; F317-V353 WeakPolarHBondContact O-CA 3.38Å; F317-C354 PolarHBondContact O-N 3.26Å; F317-V365 HydrophobicContact CD1-CB 3.75Å; F317-V365 HydrophobicContact CD1-CG2 3.82Å; F317-V365 HydrophobicContact CD2-CG2 3.8Å; F317-V365 HydrophobicContact CE1-CB 3.86Å; F317-V365 HydrophobicContact CE1-CG1 4.32Å; F317-V365 HydrophobicContact CE1-CG2 3.84Å; F317-V365 HydrophobicContact CE2-CG2 3.82Å; F317-V365 HydrophobicContact CG-CB 4.15Å; F317-V365 HydrophobicContact CG-CG2 3.79Å; F317-V365 HydrophobicContact CZ-CB 4.34Å; F317-V365 HydrophobicContact CZ-CG2 3.84Å
318R92.5Very high94Very high1 Ų141.3 Ų41.30%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-132.6138.1-179.5-59.2-175.763.4177.22.3110.8E27 S234 T238 M321 C354 I356 M363 S364E27-R318 IonicContact OE1-CZ 3.3Å; E27-R318 IonicContact OE1-NH1 2.98Å; E27-R318 PolarHBondContact OE1-NH1 3.39Å; E27-R318 IonicContact OE1-NH2 3.24Å; E27-R318 PolarHBondContact OE1-NH2 3.28Å; E27-R318 VanDerWaalsContact OE1-NH2 3.08Å; E27-R318 IonicContact OE2-CZ 3.29Å; E27-R318 IonicContact OE2-NH1 3.91Å; E27-R318 PolarHBondContact OE2-NH1 3.24Å; E27-R318 IonicContact OE2-NH2 2.83Å; E27-R318 PolarHBondContact OE2-NH2 2.53Å; S234-R318 PolarHBondContact OG-NH1 3.13Å; T238-R318 HydrophobicContact CG2-CG 4.07Å; T238-R318 WeakPolarHBondContact OG1-CD 3.45Å; T238-R318 VanDerWaalsContact OG1-CZ 3.26Å; T238-R318 PolarHBondContact OG1-NE 3.38Å; T238-R318 PolarHBondContact OG1-NH1 2.76Å; R318-M321 VanDerWaalsContact C-CE 3.47Å; R318-M321 WeakPolarHBondContact O-CE 3.26Å; R318-C354 CarbonylContact C-O 3.54Å; R318-C354 VanDerWaalsContact CA-O 3.25Å; R318-C354 WeakPolarHBondContact CA-O 3.26Å; R318-I356 PolarHBondContact NE-O 3.08Å; R318-I356 PolarHBondContact NH2-O 3.44Å; R318-M363 CarbonylContact O-C 3.41Å; R318-M363 WeakPolarHBondContact O-CA 3.47Å; R318-M363 WeakPolarHBondContact O-CB 3.48Å; R318-S364 PolarHBondContact N-O 2.87Å; R318-S364 PolarHBondContact O-N 3.25Å
319G91Very high94.1Very high0 Ų043.4 Ų43.40%020%0.197CC..SBendtrans105.5165.1-176.300000113.2M321 C354G319-M321 VanDerWaalsContact O-CE 3.26Å; G319-M321 WeakPolarHBondContact O-CE 3.48Å; G319-M321 PolarHBondContact O-N 2.96Å; G319-M321 VanDerWaalsContact O-N 3.15Å; G319-C354 PolarHBondContact N-O 3.3Å
320R88.7Confident94Very high228 Ų22839.9 Ų39.986%0.8618%0.184SC*.SBendtrans-70.7108.8-178.1-64.6-175.9-177.1-1761.4110.7
321M91.4Very high93.9Very high32 Ų3244 Ų4416%0.15821%0.206CC..  trans-146.8163.9178.364.6-167.583.300112.1V286 F317 R318 G319 M323 V326 V353 M363V286-M321 HydrophobicContact CG2-CB 4.07Å; V286-M321 HydrophobicContact CG2-CG 4.42Å; V286-M321 HydrophobicContact CG2-SD 3.93Å; F317-M321 HydrophobicContact CB-CE 3.98Å; F317-M321 HydrophobicContact CB-SD 3.69Å; F317-M321 HydrophobicContact CD1-CE 4.28Å; F317-M321 HydrophobicContact CD1-SD 3.58Å; F317-M321 VanDerWaalsContact CD1-SD 3.58Å; F317-M321 HydrophobicContact CG-SD 3.93Å; R318-M321 VanDerWaalsContact C-CE 3.47Å; R318-M321 WeakPolarHBondContact O-CE 3.26Å; G319-M321 VanDerWaalsContact O-CE 3.26Å; G319-M321 WeakPolarHBondContact O-CE 3.48Å; G319-M321 PolarHBondContact O-N 2.96Å; G319-M321 VanDerWaalsContact O-N 3.15Å; M321-M323 PolarHBondContact O-N 2.94Å; M321-V326 HydrophobicContact CG-CG2 3.94Å; M321-V326 HydrophobicContact SD-CG2 3.69Å; M321-V353 HydrophobicContact CG-CG1 4.05Å; M321-M363 HydrophobicContact CB-CE 4.29Å; M321-M363 HydrophobicContact CE-CB 3.87Å; M321-M363 HydrophobicContact CE-CE 3.8Å; M321-M363 HydrophobicContact SD-CE 3.92Å
322S91.5Very high93.9Very high59 Ų5948.1 Ų48.141%0.41323%0.228SC..  trans-76.1119177.1174.20000110.2K324 E325 V326S322-K324 PolarHBondContact O-N 2.96Å; S322-K324 PolarHBondContact OG-N 3.36Å; S322-E325 WeakPolarHBondContact O-CB 3.18Å; S322-E325 PolarHBondContact O-N 2.7Å; S322-E325 PolarHBondContact OG-N 3.11Å; S322-V326 PolarHBondContact O-N 3.24Å
323M90Very high93.7Very high77 Ų7748.6 Ų48.638%0.37923%0.231SC..Hα-helixtrans-58.2-39.8174.2-173.3-179.7-17600111.8Q245 M321 E325 V326 D327Q245-M323 PolarHBondContact OE1-SD 3.43Å; M321-M323 PolarHBondContact O-N 2.94Å; M323-E325 VanDerWaalsContact C-N 3.26Å; M323-E325 PolarHBondContact O-N 3.34Å; M323-V326 WeakPolarHBondContact O-CB 2.97Å; M323-V326 PolarHBondContact O-N 3.43Å; M323-V326 VanDerWaalsContact O-N 3.13Å; M323-D327 PolarHBondContact O-N 3.42Å
324K94.4Very high93.5Very high143 Ų14350.9 Ų50.962%0.62224%0.242SC*.Hα-helixtrans-57.5-41175.4178.8179.8171.3-179.80111.8S322 E328S322-K324 PolarHBondContact O-N 2.96Å; S322-K324 PolarHBondContact OG-N 3.36Å; K324-E328 WeakPolarHBondContact CE-OE1 3.4Å; K324-E328 IonicContact NZ-OE1 3.42Å; K324-E328 WeakPolarHBondContact O-CB 3.43Å; K324-E328 VanDerWaalsContact O-CG 3.26Å; K324-E328 WeakPolarHBondContact O-CG 3.34Å; K324-E328 PolarHBondContact O-N 3.22Å
325E95.7Very high93.4Very high71 Ų7155.5 Ų55.533%0.33227%0.267SS..Hα-helixtrans-68.5-40.7178.1-172.8-178.3-171.400111.2V286 S322 M323 E328 Q329V286-E325 HydrophobicContact CB-CG 4.04Å; V286-E325 HydrophobicContact CG1-CG 4.34Å; V286-E325 HydrophobicContact CG2-CG 4.29Å; S322-E325 WeakPolarHBondContact O-CB 3.18Å; S322-E325 PolarHBondContact O-N 2.7Å; S322-E325 PolarHBondContact OG-N 3.11Å; M323-E325 VanDerWaalsContact C-N 3.26Å; M323-E325 PolarHBondContact O-N 3.34Å; E325-E328 PolarHBondContact O-N 3.34Å; E325-Q329 WeakPolarHBondContact O-CB 3.44Å; E325-Q329 VanDerWaalsContact O-CG 3.31Å; E325-Q329 WeakPolarHBondContact O-CG 3.48Å; E325-Q329 PolarHBondContact O-N 2.85Å
326V94.9Very high93.3Very high0 Ų063.1 Ų63.10%030%0.3CS..Hα-helixtrans-58.1-51.4174.2172.60000110.9V286 F317 M321 S322 M323 E328 Q329 M330 T351 V353V286-V326 HydrophobicContact CG1-CB 4.41Å; V286-V326 HydrophobicContact CG1-CG2 3.86Å; V286-V326 HydrophobicContact CG2-CG2 4.16Å; F317-V326 HydrophobicContact CD1-CG2 4.31Å; F317-V326 HydrophobicContact CD2-CG1 3.56Å; F317-V326 HydrophobicContact CD2-CG2 4.39Å; F317-V326 HydrophobicContact CE2-CG1 3.53Å; F317-V326 HydrophobicContact CG-CG1 4.22Å; F317-V326 HydrophobicContact CG-CG2 4.22Å; F317-V326 HydrophobicContact CZ-CG1 4.16Å; M321-V326 HydrophobicContact CG-CG2 3.94Å; M321-V326 HydrophobicContact SD-CG2 3.69Å; S322-V326 PolarHBondContact O-N 3.24Å; M323-V326 WeakPolarHBondContact O-CB 2.97Å; M323-V326 PolarHBondContact O-N 3.43Å; M323-V326 VanDerWaalsContact O-N 3.13Å; V326-E328 PolarHBondContact O-N 2.81Å; V326-Q329 PolarHBondContact O-N 2.77Å; V326-M330 HydrophobicContact CG1-CG 4.25Å; V326-M330 WeakPolarHBondContact O-CB 3.3Å; V326-M330 WeakPolarHBondContact O-CG 3.43Å; V326-M330 PolarHBondContact O-N 3.19Å; V326-T351 HydrophobicContact CG1-CG2 4.44Å; V326-V353 HydrophobicContact CG1-CG2 4.37Å; V326-V353 HydrophobicContact CG2-CG2 4.3Å
327D94.1Very high93.2Very high64 Ų6464.2 Ų64.234%0.34231%0.306SS..Hα-helixtrans-63.6-41.7-178.6-66.1-25.7000111.8M323 M330 L331 T351M323-D327 PolarHBondContact O-N 3.42Å; D327-M330 PolarHBondContact O-N 2.89Å; D327-L331 WeakPolarHBondContact O-CB 3.24Å; D327-L331 PolarHBondContact O-N 3.39Å; D327-T351 PolarHBondContact OD1-OG1 3.12Å
328E96.5Very high93.1Very high92 Ų9267.6 Ų67.643%0.4333%0.33SS..Hα-helixtrans-61.5-45.4175.1-76.6174.4-17900112K324 E325 V326 N332K324-E328 WeakPolarHBondContact CE-OE1 3.4Å; K324-E328 IonicContact NZ-OE1 3.42Å; K324-E328 WeakPolarHBondContact O-CB 3.43Å; K324-E328 VanDerWaalsContact O-CG 3.26Å; K324-E328 WeakPolarHBondContact O-CG 3.34Å; K324-E328 PolarHBondContact O-N 3.22Å; E325-E328 PolarHBondContact O-N 3.34Å; V326-E328 PolarHBondContact O-N 2.81Å; E328-N332 WeakPolarHBondContact O-CB 3.43Å; E328-N332 PolarHBondContact O-N 3.28Å; E328-N332 PolarHBondContact O-ND2 3.04Å; E328-N332 VanDerWaalsContact O-ND2 3.07Å
329Q96.3Very high93Very high48 Ų4870.6 Ų70.622%0.22435%0.351CS..Hα-helixtrans-69.4-36.2179.2-67.9-50.6-52.300112.6V286 P287 T290 E325 V326 N332 V333V286-Q329 HydrophobicContact CG1-CB 4.16Å; V286-Q329 HydrophobicContact CG1-CG 4.01Å; P287-Q329 HydrophobicContact CB-CG 4.26Å; P287-Q329 HydrophobicContact CG-CG 3.87Å; T290-Q329 HydrophobicContact CG2-CB 4.3Å; E325-Q329 WeakPolarHBondContact O-CB 3.44Å; E325-Q329 VanDerWaalsContact O-CG 3.31Å; E325-Q329 WeakPolarHBondContact O-CG 3.48Å; E325-Q329 PolarHBondContact O-N 2.85Å; V326-Q329 PolarHBondContact O-N 2.77Å; Q329-N332 PolarHBondContact O-N 3.29Å; Q329-V333 PolarHBondContact O-N 2.89Å
330M95.1Very high93.2Very high5 Ų574.1 Ų74.13%0.02537%0.365CS..Hα-helixtrans-69-39.5177.7-70.7-64.7-54.400111.7T290 M293 F294 A315 F317 V326 D327 V333 Q334 V349 T351T290-M330 HydrophobicContact CG2-SD 3.89Å; M293-M330 HydrophobicContact CE-CE 4.38Å; M293-M330 HydrophobicContact CE-SD 4.17Å; F294-M330 HydrophobicContact CE2-CE 4.25Å; F294-M330 HydrophobicContact CZ-CE 4.5Å; A315-M330 HydrophobicContact CB-CE 3.74Å; A315-M330 HydrophobicContact CB-SD 4.02Å; F317-M330 HydrophobicContact CE2-CG 4.17Å; F317-M330 HydrophobicContact CE2-SD 4.03Å; F317-M330 HydrophobicContact CZ-SD 4.2Å; V326-M330 HydrophobicContact CG1-CG 4.25Å; V326-M330 WeakPolarHBondContact O-CB 3.3Å; V326-M330 WeakPolarHBondContact O-CG 3.43Å; V326-M330 PolarHBondContact O-N 3.19Å; D327-M330 PolarHBondContact O-N 2.89Å; M330-V333 WeakPolarHBondContact O-CG1 3.35Å; M330-V333 HydrophobicContact SD-CG1 4.35Å; M330-Q334 WeakPolarHBondContact O-CB 3.3Å; M330-Q334 PolarHBondContact O-N 3.35Å; M330-V349 HydrophobicContact CE-CG1 3.46Å; M330-V349 VanDerWaalsContact CE-CG1 3.46Å; M330-T351 HydrophobicContact CB-CG2 3.85Å; M330-T351 HydrophobicContact CE-CG2 4.06Å; M330-T351 HydrophobicContact CG-CG2 3.53Å; M330-T351 HydrophobicContact SD-CG2 4.43Å
331L94.3Very high93.4Very high91 Ų9163.6 Ų63.648%0.47633%0.325SS..Hα-helixtrans-63.7-42.9171.4-177.961.7000111.7D327 V333 Q334 N335D327-L331 WeakPolarHBondContact O-CB 3.24Å; D327-L331 PolarHBondContact O-N 3.39Å; L331-V333 PolarHBondContact O-N 3.24Å; L331-Q334 PolarHBondContact O-N 2.96Å; L331-N335 WeakPolarHBondContact O-CB 3.21Å; L331-N335 VanDerWaalsContact O-CG 3.25Å; L331-N335 PolarHBondContact O-N 3.18Å; L331-N335 PolarHBondContact O-ND2 3.31Å
332N95.4Very high93.6Very high87 Ų8762.4 Ų62.447%0.46532%0.32SS..Hα-helixtrans-62.2-44.1178.7-72.7-27.3000112.4E328 Q329 K336E328-N332 WeakPolarHBondContact O-CB 3.43Å; E328-N332 PolarHBondContact O-N 3.28Å; E328-N332 PolarHBondContact O-ND2 3.04Å; E328-N332 VanDerWaalsContact O-ND2 3.07Å; Q329-N332 PolarHBondContact O-N 3.29Å; N332-K336 WeakPolarHBondContact O-CB 3.41Å; N332-K336 PolarHBondContact O-N 3.37Å
333V92.8Very high93.5Very high16 Ų1667.3 Ų67.310%0.09734%0.336CS..Hα-helixtrans-71.1-35.2179.677.70000111.6T290 F294 Q329 M330 L331 K336 N337T290-V333 HydrophobicContact CG2-CB 3.84Å; T290-V333 HydrophobicContact CG2-CG1 3.61Å; T290-V333 HydrophobicContact CG2-CG2 4.29Å; F294-V333 HydrophobicContact CB-CG2 4.2Å; F294-V333 HydrophobicContact CD1-CG2 4.47Å; F294-V333 HydrophobicContact CD2-CB 4.36Å; F294-V333 HydrophobicContact CD2-CG1 3.87Å; F294-V333 HydrophobicContact CD2-CG2 3.52Å; F294-V333 HydrophobicContact CE2-CB 4.34Å; F294-V333 HydrophobicContact CE2-CG1 3.39Å; F294-V333 HydrophobicContact CE2-CG2 3.94Å; F294-V333 HydrophobicContact CG-CG2 3.81Å; F294-V333 HydrophobicContact CZ-CG1 3.91Å; Q329-V333 PolarHBondContact O-N 2.89Å; M330-V333 WeakPolarHBondContact O-CG1 3.35Å; M330-V333 HydrophobicContact SD-CG1 4.35Å; L331-V333 PolarHBondContact O-N 3.24Å; V333-K336 PolarHBondContact O-N 3.35Å; V333-N337 VanDerWaalsContact CG2-ND2 3.31Å; V333-N337 WeakPolarHBondContact CG2-ND2 3.41Å; V333-N337 WeakPolarHBondContact O-CB 3.15Å; V333-N337 PolarHBondContact O-N 2.82Å; V333-N337 PolarHBondContact O-ND2 2.85Å
334Q91.7Very high93.5Very high49 Ų4964.3 Ų64.323%0.22932%0.321CS..Hα-helixtrans-63.1-48.5173.2-172.6-175.521.700110.8M330 L331 K336 N337 S338 F341 N348 V349M330-Q334 WeakPolarHBondContact O-CB 3.3Å; M330-Q334 PolarHBondContact O-N 3.35Å; L331-Q334 PolarHBondContact O-N 2.96Å; Q334-K336 VanDerWaalsContact C-N 3.35Å; Q334-K336 PolarHBondContact O-N 3.32Å; Q334-N337 CarbonylContact O-C 3.47Å; Q334-N337 VanDerWaalsContact O-C 3.3Å; Q334-N337 PolarHBondContact O-N 3.24Å; Q334-S338 WeakPolarHBondContact O-CA 3.21Å; Q334-S338 PolarHBondContact O-N 2.84Å; Q334-F341 HydrophobicContact CG-CE2 4.33Å; Q334-N348 PolarHBondContact NE2-OD1 3.06Å; Q334-V349 HydrophobicContact CB-CG2 4.45Å; Q334-V349 HydrophobicContact CG-CG2 3.98Å
335N92.3Very high93.3Very high97 Ų9758.8 Ų58.852%0.51930%0.298SS..Hα-helixtrans-59.4-45.2177.6-74.1-29.2000112.1L331 N337 S338L331-N335 WeakPolarHBondContact O-CB 3.21Å; L331-N335 VanDerWaalsContact O-CG 3.25Å; L331-N335 PolarHBondContact O-N 3.18Å; L331-N335 PolarHBondContact O-ND2 3.31Å; N335-N337 VanDerWaalsContact C-N 3.26Å; N335-N337 PolarHBondContact O-N 3.3Å; N335-S338 WeakPolarHBondContact O-CB 3.5Å; N335-S338 PolarHBondContact O-N 3Å; N335-S338 PolarHBondContact O-OG 2.75Å
336K93.1Very high92.9Very high160 Ų16060.3 Ų60.370%0.69631%0.313SS*.Hα-helixtrans-61.9-34.7178.4-178.3-178.7174.9-173.20112.6N332 V333 Q334N332-K336 WeakPolarHBondContact O-CB 3.41Å; N332-K336 PolarHBondContact O-N 3.37Å; V333-K336 PolarHBondContact O-N 3.35Å; Q334-K336 VanDerWaalsContact C-N 3.35Å; Q334-K336 PolarHBondContact O-N 3.32Å
337N91.3Very high92.4Very high27 Ų2766.3 Ų66.314%0.14435%0.346CS..THydrogen-bonded Turntrans-107.420.5-177.3-64.4-67.5000112.3V333 Q334 N335 S339 Y340 F341V333-N337 VanDerWaalsContact CG2-ND2 3.31Å; V333-N337 WeakPolarHBondContact CG2-ND2 3.41Å; V333-N337 WeakPolarHBondContact O-CB 3.15Å; V333-N337 PolarHBondContact O-N 2.82Å; V333-N337 PolarHBondContact O-ND2 2.85Å; Q334-N337 CarbonylContact O-C 3.47Å; Q334-N337 VanDerWaalsContact O-C 3.3Å; Q334-N337 PolarHBondContact O-N 3.24Å; N335-N337 VanDerWaalsContact C-N 3.26Å; N335-N337 PolarHBondContact O-N 3.3Å; N337-S339 PolarHBondContact O-N 2.93Å; N337-S339 VanDerWaalsContact O-N 3.13Å; N337-Y340 HydrophobicContact CB-CD2 3.89Å; N337-Y340 WeakPolarHBondContact O-CA 3.47Å; N337-Y340 WeakPolarHBondContact O-CB 3.24Å; N337-Y340 PolarHBondContact O-N 2.86Å; N337-F341 HydrophobicContact CB-CE2 4.25Å; N337-F341 WeakPolarHBondContact O-CD2 3.06Å
338S91.4Very high92.3Very high73 Ų7363.7 Ų63.751%0.5133%0.332SS..G310 helixtrans-54.7-36.1-173.444.40000112.8Q334 N335 Y340 F341Q334-S338 WeakPolarHBondContact O-CA 3.21Å; Q334-S338 PolarHBondContact O-N 2.84Å; N335-S338 WeakPolarHBondContact O-CB 3.5Å; N335-S338 PolarHBondContact O-N 3Å; N335-S338 PolarHBondContact O-OG 2.75Å; S338-Y340 PolarHBondContact O-N 3.45Å; S338-Y340 VanDerWaalsContact O-N 3.12Å; S338-F341 PolarHBondContact O-N 2.84Å; S338-F341 VanDerWaalsContact O-N 3.07Å
339S92Very high92.1Very high64 Ų6460.5 Ų60.545%0.44832%0.318SS..G310 helixtrans-66.8-6.1173.964.80000115.1R309 N337R309-S339 WeakPolarHBondContact CD-O 3.26Å; R309-S339 PolarHBondContact NE-O 3.22Å; R309-S339 VanDerWaalsContact NH1-C 3.34Å; R309-S339 PolarHBondContact NH1-O 3.09Å; N337-S339 PolarHBondContact O-N 2.93Å; N337-S339 VanDerWaalsContact O-N 3.13Å
340Y93.7Very high91.9Very high73 Ų7360.7 Ų60.729%0.28632%0.319SS..G310 helixtrans-107.64.1174.8-55.3-42.5000111.8R306 R309 Y310 N337 S338R306-Y340 HydrophobicContact CB-CE1 4.1Å; R306-Y340 HydrophobicContact CG-CE1 4.16Å; R306-Y340 HydrophobicContact CG-CE2 4.03Å; R309-Y340 CarbonylContact C-O 3.45Å; R309-Y340 VanDerWaalsContact CA-O 3.29Å; R309-Y340 WeakPolarHBondContact CA-O 3.18Å; Y310-Y340 WeakPolarHBondContact CD2-O 3.28Å; Y310-Y340 PolarHBondContact N-O 3.05Å; N337-Y340 HydrophobicContact CB-CD2 3.89Å; N337-Y340 WeakPolarHBondContact O-CA 3.47Å; N337-Y340 WeakPolarHBondContact O-CB 3.24Å; N337-Y340 PolarHBondContact O-N 2.86Å; S338-Y340 PolarHBondContact O-N 3.45Å; S338-Y340 VanDerWaalsContact O-N 3.12Å
341F94.7Very high91.7Very high7 Ų761.9 Ų61.93%0.03133%0.326CS..BIsolated β-bridgetrans-104.3153170.1-73.1-95.4000109.4F294 R309 Y310 V313 Q334 N337 S338 V349F294-F341 HydrophobicContact CE1-CE2 4.28Å; F294-F341 AromaticContact CE1-CZ 3.87Å; F294-F341 HydrophobicContact CE1-CZ 3.87Å; F294-F341 HydrophobicContact CZ-CZ 4.26Å; R309-F341 PolarHBondContact NH1-O 2.95Å; R309-F341 VanDerWaalsContact NH1-O 3.1Å; Y310-F341 HydrophobicContact CD2-CD2 4.45Å; Y310-F341 HydrophobicContact CD2-CE1 4.27Å; Y310-F341 HydrophobicContact CD2-CE2 4.12Å; Y310-F341 HydrophobicContact CD2-CZ 4.04Å; Y310-F341 HydrophobicContact CG-CD1 4.44Å; Y310-F341 HydrophobicContact CG-CE1 4.16Å; Y310-F341 HydrophobicContact CG-CZ 4.35Å; V313-F341 HydrophobicContact CB-CE1 4.18Å; V313-F341 HydrophobicContact CG2-CE1 3.66Å; V313-F341 HydrophobicContact CG2-CZ 3.98Å; Q334-F341 HydrophobicContact CG-CE2 4.33Å; N337-F341 HydrophobicContact CB-CE2 4.25Å; N337-F341 WeakPolarHBondContact O-CD2 3.06Å; S338-F341 PolarHBondContact O-N 2.84Å; S338-F341 VanDerWaalsContact O-N 3.07Å; F341-V349 HydrophobicContact CD1-CG2 4.36Å; F341-V349 HydrophobicContact CE1-CG2 3.54Å; F341-V349 HydrophobicContact CZ-CG2 3.85Å
342V93.9Very high91.6Very high8 Ų857.7 Ų57.75%0.04830%0.304CS..  trans-70.9144.8165.1-62.90000109.8R309 Y310 L311 W344 I345 N348R309-V342 HydrophobicContact CB-CG1 3.59Å; R309-V342 HydrophobicContact CG-CG1 4.32Å; Y310-V342 PolarHBondContact O-N 3.46Å; L311-V342 HydrophobicContact CD2-CG1 3.74Å; L311-V342 HydrophobicContact CD2-CG2 4.35Å; V342-W344 HydrophobicContact CB-CD2 4.15Å; V342-W344 HydrophobicContact CB-CG 4.32Å; V342-W344 HydrophobicContact CB-CZ2 4.02Å; V342-W344 HydrophobicContact CG1-CZ2 3.83Å; V342-W344 HydrophobicContact CG2-CD2 4.11Å; V342-W344 HydrophobicContact CG2-CH2 4.42Å; V342-W344 HydrophobicContact CG2-CZ2 4.01Å; V342-I345 HydrophobicContact CG2-CB 3.98Å; V342-I345 HydrophobicContact CG2-CD1 3.98Å; V342-I345 HydrophobicContact CG2-CG1 3.75Å; V342-N348 PolarHBondContact O-ND2 2.84Å
343E90.1Very high91.3Very high162 Ų16254.5 Ų54.576%0.75729%0.288SS*.SBendtrans-87.3-20.4-176.5-63.7-179.5-172.100112.4
344W89.9Confident91.2Very high14 Ų1454 Ų545%0.05329%0.285CS..SBendtrans-84.5-25.4-173.448.2-103000113.7F260 L311 V342 P346 Y425 A428 A430 E433F260-W344 AromaticContact CE2-CH2 3.73Å; F260-W344 HydrophobicContact CE2-CH2 3.73Å; F260-W344 AromaticContact CE2-CZ3 3.84Å; F260-W344 HydrophobicContact CE2-CZ3 3.84Å; F260-W344 HydrophobicContact CZ-CZ3 4.42Å; L311-W344 HydrophobicContact CD2-CH2 3.86Å; L311-W344 HydrophobicContact CD2-CZ2 3.73Å; V342-W344 HydrophobicContact CB-CD2 4.15Å; V342-W344 HydrophobicContact CB-CG 4.32Å; V342-W344 HydrophobicContact CB-CZ2 4.02Å; V342-W344 HydrophobicContact CG1-CZ2 3.83Å; V342-W344 HydrophobicContact CG2-CD2 4.11Å; V342-W344 HydrophobicContact CG2-CH2 4.42Å; V342-W344 HydrophobicContact CG2-CZ2 4.01Å; W344-P346 WeakPolarHBondContact O-CD 3.49Å; W344-Y425 HydrophobicContact CH2-CD1 4.22Å; W344-Y425 HydrophobicContact CZ2-CD1 4.25Å; W344-Y425 WeakPolarHBondContact CZ2-O 3.49Å; W344-Y425 PolarHBondContact NE1-O 3.08Å; W344-A428 VanDerWaalsContact CD1-O 3.31Å; W344-A428 PolarHBondContact NE1-O 2.79Å; W344-A430 HydrophobicContact CB-CB 4.35Å; W344-E433 HydrophobicContact CE3-CG 4.5Å
345I90.3Very high90.9Very high27 Ų2756.4 Ų56.414%0.13830%0.3CS..SBendtrans-86.3108.8170.8-54-177.1000111.1P259 L311 T312 V342 N348P259-I345 HydrophobicContact CB-CD1 3.82Å; P259-I345 HydrophobicContact CG-CD1 3.85Å; L311-I345 HydrophobicContact CB-CD1 4.08Å; L311-I345 WeakPolarHBondContact O-CD1 3.43Å; T312-I345 HydrophobicContact CG2-CD1 4.34Å; V342-I345 HydrophobicContact CG2-CB 3.98Å; V342-I345 HydrophobicContact CG2-CD1 3.98Å; V342-I345 HydrophobicContact CG2-CG1 3.75Å; I345-N348 HydrophobicContact CB-CB 4.16Å; I345-N348 HydrophobicContact CG2-CB 3.86Å; I345-N348 PolarHBondContact O-ND2 3.18Å
346P86.4Confident90.6Very high102 Ų10253.1 Ų53.166%0.66228%0.282SS*.THydrogen-bonded Turntrans-71.5147.8173.331.6-35.8000111.2W344 N348W344-P346 WeakPolarHBondContact O-CD 3.49Å; P346-N348 PolarHBondContact O-N 3.21Å
347N86.2Confident90.4Very high127 Ų12747.7 Ų47.768%0.67926%0.263SS*.THydrogen-bonded Turntrans53.638.8175.2-54.8-58.3000114V349 K350N347-V349 PolarHBondContact O-N 2.64Å; N347-V349 VanDerWaalsContact O-N 3.15Å; N347-K350 PolarHBondContact O-NZ 3.03Å
348N90.2Very high90.3Very high9 Ų947.1 Ų47.15%0.04826%0.26CS..  trans-69.90.9-177.955.910.5000115.6L311 T312 V313 Q334 V342 I345 P346L311-N348 WeakPolarHBondContact O-CB 3.33Å; T312-N348 CarbonylContact C-O 3.3Å; T312-N348 VanDerWaalsContact CA-O 3.27Å; T312-N348 WeakPolarHBondContact CA-O 3.4Å; V313-N348 PolarHBondContact N-O 3.12Å; Q334-N348 PolarHBondContact NE2-OD1 3.06Å; V342-N348 PolarHBondContact O-ND2 2.84Å; I345-N348 HydrophobicContact CB-CB 4.16Å; I345-N348 HydrophobicContact CG2-CB 3.86Å; I345-N348 PolarHBondContact O-ND2 3.18Å; P346-N348 PolarHBondContact O-N 3.21Å
349V93Very high89.9Confident25 Ų2552.3 Ų52.315%0.15227%0.269CS..EExtended strand (participates in β ladder)trans-113.5125.6175.1-179.40000109.7V313 M330 Q334 F341 N347V313-V349 HydrophobicContact CB-CG2 4.34Å; V313-V349 HydrophobicContact CG1-CG1 4.49Å; V313-V349 CarbonylContact O-C 3.5Å; V313-V349 WeakPolarHBondContact O-CA 3.32Å; M330-V349 HydrophobicContact CE-CG1 3.46Å; M330-V349 VanDerWaalsContact CE-CG1 3.46Å; Q334-V349 HydrophobicContact CB-CG2 4.45Å; Q334-V349 HydrophobicContact CG-CG2 3.98Å; F341-V349 HydrophobicContact CD1-CG2 4.36Å; F341-V349 HydrophobicContact CE1-CG2 3.54Å; F341-V349 HydrophobicContact CZ-CG2 3.85Å; N347-V349 PolarHBondContact O-N 2.64Å; N347-V349 VanDerWaalsContact O-N 3.15Å
350K91.8Very high89.6Confident52 Ų5253 Ų5323%0.22629%0.287CS..EExtended strand (participates in β ladder)trans-116.2138.6177.1-59.6-52.6-174.6-148.10110.8L246 N256 V313 A314 A315 N347L246-K350 HydrophobicContact CD2-CB 3.76Å; L246-K350 HydrophobicContact CD2-CG 4.36Å; N256-K350 HydrophobicContact CB-CG 4.46Å; V313-K350 PolarHBondContact O-N 3.43Å; A314-K350 CarbonylContact C-O 3.47Å; A314-K350 VanDerWaalsContact CA-O 3.31Å; A314-K350 WeakPolarHBondContact CA-O 3.47Å; A314-K350 HydrophobicContact CB-CB 4.44Å; A315-K350 PolarHBondContact N-O 3.39Å; N347-K350 PolarHBondContact O-NZ 3.03Å
351T92.1Very high89.4Confident29 Ų2952 Ų5218%0.17829%0.286CS..EExtended strand (participates in β ladder)trans-123.3139.2178.7550000109.8A315 V326 D327 M330A315-T351 HydrophobicContact CB-CG2 4.47Å; A315-T351 WeakPolarHBondContact O-CA 3.26Å; V326-T351 HydrophobicContact CG1-CG2 4.44Å; D327-T351 PolarHBondContact OD1-OG1 3.12Å; M330-T351 HydrophobicContact CB-CG2 3.85Å; M330-T351 HydrophobicContact CE-CG2 4.06Å; M330-T351 HydrophobicContact CG-CG2 3.53Å; M330-T351 HydrophobicContact SD-CG2 4.43Å
352A90.6Very high89.2Confident3 Ų360.4 Ų60.43%0.02532%0.322CS..EExtended strand (participates in β ladder)trans-133.3148170.700000109.3L246 A315 M316 F317L246-A352 HydrophobicContact CB-CB 3.69Å; A315-A352 PolarHBondContact O-N 2.96Å; M316-A352 HydrophobicContact SD-CB 3.42Å; M316-A352 WeakPolarHBondContact SD-CB 3.02Å; F317-A352 WeakPolarHBondContact CB-O 3.3Å; F317-A352 PolarHBondContact N-O 3.05Å
353V91Very high89.2Confident21 Ų2160.9 Ų60.913%0.12732%0.324CS..EExtended strand (participates in β ladder)trans-129.1128.9176.3-173.60000108.5F317 M321 V326F317-V353 HydrophobicContact CB-CG2 4.22Å; F317-V353 CarbonylContact O-C 3.49Å; F317-V353 WeakPolarHBondContact O-CA 3.38Å; M321-V353 HydrophobicContact CG-CG1 4.05Å; V326-V353 HydrophobicContact CG1-CG2 4.37Å; V326-V353 HydrophobicContact CG2-CG2 4.3Å
354C89.1Confident89.4Confident4 Ų453.1 Ų53.13%0.02729%0.288CS..EExtended strand (participates in β ladder)trans-118.7130.6170.4178.80000109.1T238 F317 R318 G319 I356T238-C354 HydrophobicContact CG2-CB 3.61Å; F317-C354 PolarHBondContact O-N 3.26Å; R318-C354 CarbonylContact C-O 3.54Å; R318-C354 VanDerWaalsContact CA-O 3.25Å; R318-C354 WeakPolarHBondContact CA-O 3.26Å; G319-C354 PolarHBondContact N-O 3.3Å; C354-I356 PolarHBondContact O-N 3.36Å
355D86.4Confident89.7Confident100 Ų10052.5 Ų52.554%0.53529%0.286SS..SBendtrans-71.2-11.4-176.8-74.1-26.7000113.9P357D355-P357 VanDerWaalsContact O-CD 3.25Å; D355-P357 WeakPolarHBondContact O-CD 3.35Å
356I85.5Confident90Very high29 Ų2951.2 Ų51.215%0.14928%0.279CS..  trans-90.7106.2179.9-62.1167.5000109.7L42 F242 R318 C354L42-I356 HydrophobicContact CB-CD1 3.94Å; F242-I356 HydrophobicContact CB-CD1 4.17Å; F242-I356 HydrophobicContact CD1-CD1 3.32Å; F242-I356 HydrophobicContact CD2-CB 4.47Å; F242-I356 HydrophobicContact CD2-CD1 4.08Å; F242-I356 HydrophobicContact CE1-CD1 3.61Å; F242-I356 HydrophobicContact CE2-CD1 4.3Å; F242-I356 HydrophobicContact CE2-CG2 4.21Å; F242-I356 HydrophobicContact CG-CD1 3.58Å; F242-I356 HydrophobicContact CZ-CD1 4.09Å; F242-I356 HydrophobicContact CZ-CG2 4.37Å; R318-I356 PolarHBondContact NE-O 3.08Å; R318-I356 PolarHBondContact NH2-O 3.44Å; C354-I356 PolarHBondContact O-N 3.36Å
357P88.6Confident90.5Very high45 Ų4546.3 Ų46.329%0.29225%0.247SC..PPolyproline II helixtrans-73.1157.5174.433.6-34.7000110.8D355 L361D355-P357 VanDerWaalsContact O-CD 3.25Å; D355-P357 WeakPolarHBondContact O-CD 3.35Å; P357-L361 WeakPolarHBondContact CB-O 3.48Å
358P88.8Confident90.9Very high15 Ų1540.3 Ų40.310%0.09722%0.215CC..PPolyproline II helixtrans-60.2147.8165.9-1628.6000110.6G360 L361 S364P358-G360 PolarHBondContact O-N 2.88Å; P358-L361 HydrophobicContact CB-CD1 4.34Å; P358-L361 HydrophobicContact CG-CD1 4.36Å; P358-L361 PolarHBondContact O-N 3.19Å; P358-L361 VanDerWaalsContact O-N 3.09Å; P358-S364 WeakPolarHBondContact CD-OG 3.44Å; P358-S364 WeakPolarHBondContact CG-OG 3.41Å
359R83.6Confident91.2Very high182 Ų18239.9 Ų39.969%0.68721%0.213SC*.THydrogen-bonded Turntrans-60.7138.7-179.2-163177.6-174.3144.8-25.3111.4D26 L361D26-R359 VanDerWaalsContact CG-CD 3.41Å; D26-R359 WeakPolarHBondContact OD1-CD 3.49Å; D26-R359 IonicContact OD1-CZ 3.7Å; D26-R359 IonicContact OD1-NE 2.7Å; D26-R359 IonicContact OD1-NH1 3.94Å; D26-R359 PolarHBondContact OD1-NH1 2.92Å; D26-R359 IonicContact OD1-NH2 3.83Å; D26-R359 WeakPolarHBondContact OD2-CB 3.41Å; D26-R359 WeakPolarHBondContact OD2-CD 3.39Å; D26-R359 IonicContact OD2-NE 3.49Å; D26-R359 IonicContact OD2-NH1 2.89Å; R359-L361 PolarHBondContact O-N 3.16Å
360G85.2Confident91.4Very high80 Ų8038.7 Ų38.783%0.82521%0.206SC*.THydrogen-bonded Turntrans82.1-6.4-17700000114.4P358P358-G360 PolarHBondContact O-N 2.88Å
361L89.5Confident91.6Very high50 Ų5036.2 Ų36.226%0.26220%0.195SC..  trans-116.1150.7174.9-60.7177.7000110.7F270 P272 P357 P358 R359F270-L361 HydrophobicContact CE1-CD1 4.29Å; F270-L361 HydrophobicContact CZ-CD1 3.86Å; P272-L361 HydrophobicContact CG-CD2 4.32Å; P357-L361 WeakPolarHBondContact CB-O 3.48Å; P358-L361 HydrophobicContact CB-CD1 4.34Å; P358-L361 HydrophobicContact CG-CD1 4.36Å; P358-L361 PolarHBondContact O-N 3.19Å; P358-L361 VanDerWaalsContact O-N 3.09Å; R359-L361 PolarHBondContact O-N 3.16Å
362K90.5Very high91.9Very high184 Ų18434.8 Ų34.880%0.819%0.186SC*.SBendtrans-85.9-31.6171.8-68.5-175.7178.8179.20112.1
363M94Very high92.2Very high18 Ų1834.7 Ų34.79%0.08919%0.186CC..  trans-157.7153177.959-170.8-45.700109.8L284 V286 L289 R318 M321L284-M363 HydrophobicContact CB-CG 3.82Å; L284-M363 HydrophobicContact CB-SD 3.95Å; L284-M363 HydrophobicContact CD1-CG 4.34Å; V286-M363 HydrophobicContact CG2-CE 3.7Å; L289-M363 HydrophobicContact CD1-CB 4.32Å; L289-M363 HydrophobicContact CD1-CE 3.82Å; L289-M363 HydrophobicContact CD1-CG 3.97Å; L289-M363 HydrophobicContact CD1-SD 4.4Å; R318-M363 CarbonylContact O-C 3.41Å; R318-M363 WeakPolarHBondContact O-CA 3.47Å; R318-M363 WeakPolarHBondContact O-CB 3.48Å; M321-M363 HydrophobicContact CB-CE 4.29Å; M321-M363 HydrophobicContact CE-CB 3.87Å; M321-M363 HydrophobicContact CE-CE 3.8Å; M321-M363 HydrophobicContact SD-CE 3.92Å
364S95.5Very high92.5Very high0 Ų033.7 Ų33.70%018%0.18CC..EExtended strand (participates in β ladder)trans-150.9173.9173.872.30000109.8A271 R318 P358A271-S364 CarbonylContact O-C 3.52Å; A271-S364 VanDerWaalsContact O-CA 3.25Å; A271-S364 WeakPolarHBondContact O-CA 3.38Å; A271-S364 VanDerWaalsContact O-CB 3.28Å; A271-S364 WeakPolarHBondContact O-CB 3.32Å; R318-S364 PolarHBondContact N-O 2.87Å; R318-S364 PolarHBondContact O-N 3.25Å; P358-S364 WeakPolarHBondContact CD-OG 3.44Å; P358-S364 WeakPolarHBondContact CG-OG 3.41Å
365V95.9Very high92.8Very high0 Ų033.9 Ų33.90%018%0.18CC..EExtended strand (participates in β ladder)trans-147.1140.4170.362.20000109.9A271 L289 M293 A315 M316 F317A271-V365 HydrophobicContact CB-CG1 3.8Å; A271-V365 PolarHBondContact N-O 2.85Å; A271-V365 PolarHBondContact O-N 3.02Å; L289-V365 HydrophobicContact CB-CG1 3.75Å; L289-V365 HydrophobicContact CD1-CB 4.41Å; L289-V365 HydrophobicContact CD1-CG1 4.22Å; L289-V365 HydrophobicContact CD2-CG1 4.48Å; L289-V365 HydrophobicContact CG-CG1 4.39Å; M293-V365 HydrophobicContact CE-CG2 4.01Å; M293-V365 HydrophobicContact CG-CB 4.37Å; M293-V365 HydrophobicContact CG-CG1 3.37Å; M293-V365 HydrophobicContact CG-CG2 4.15Å; M293-V365 HydrophobicContact SD-CB 3.87Å; M293-V365 HydrophobicContact SD-CG1 3.33Å; M293-V365 WeakPolarHBondContact SD-CG1 3.33Å; M293-V365 HydrophobicContact SD-CG2 3.26Å; M293-V365 WeakPolarHBondContact SD-CG2 3.33Å; A315-V365 HydrophobicContact CB-CG2 4.32Å; M316-V365 WeakPolarHBondContact O-CA 3.45Å; F317-V365 HydrophobicContact CD1-CB 3.75Å; F317-V365 HydrophobicContact CD1-CG2 3.82Å; F317-V365 HydrophobicContact CD2-CG2 3.8Å; F317-V365 HydrophobicContact CE1-CB 3.86Å; F317-V365 HydrophobicContact CE1-CG1 4.32Å; F317-V365 HydrophobicContact CE1-CG2 3.84Å; F317-V365 HydrophobicContact CE2-CG2 3.82Å; F317-V365 HydrophobicContact CG-CB 4.15Å; F317-V365 HydrophobicContact CG-CG2 3.79Å; F317-V365 HydrophobicContact CZ-CB 4.34Å; F317-V365 HydrophobicContact CZ-CG2 3.84Å
366T95.9Very high93.2Very high0 Ų032 Ų320%017%0.168CC..EExtended strand (participates in β ladder)trans-108.4128.1171-660000109.1T232 G235 V236 G269 M316T232-T366 HydrophobicContact CG2-CG2 4.14Å; G235-T366 WeakPolarHBondContact CA-OG1 3.37Å; V236-T366 HydrophobicContact CG2-CG2 3.83Å; G269-T366 WeakPolarHBondContact O-CA 3.24Å; M316-T366 PolarHBondContact N-O 3.13Å; M316-T366 PolarHBondContact O-N 3.26Å
367F96.3Very high93.7Very high0 Ų030.7 Ų30.70%016%0.161CC..EExtended strand (participates in β ladder)trans-96.6139.6177.3177.3-94.7000109.4P268 G269 M293 F294 M299 Y310 V313 G369P268-F367 CarbonylContact C-O 3.57Å; P268-F367 VanDerWaalsContact CA-O 3.25Å; P268-F367 WeakPolarHBondContact CA-O 3.29Å; G269-F367 PolarHBondContact N-O 3.29Å; G269-F367 PolarHBondContact O-N 3.29Å; M293-F367 HydrophobicContact CB-CB 4.15Å; M293-F367 HydrophobicContact CB-CD2 4.08Å; M293-F367 HydrophobicContact CB-CG 4.39Å; M293-F367 HydrophobicContact CE-CB 4.29Å; M293-F367 HydrophobicContact CE-CD2 3.73Å; M293-F367 HydrophobicContact CG-CB 4.17Å; F294-F367 HydrophobicContact CD1-CE2 4.42Å; F294-F367 HydrophobicContact CE1-CE2 4.04Å; F294-F367 HydrophobicContact CE2-CE2 4.34Å; F294-F367 HydrophobicContact CZ-CE2 4.02Å; M299-F367 HydrophobicContact CE-CD1 3.66Å; M299-F367 HydrophobicContact CE-CE1 3.31Å; M299-F367 HydrophobicContact CE-CE2 4.4Å; M299-F367 HydrophobicContact CE-CG 4.36Å; M299-F367 HydrophobicContact CE-CZ 3.73Å; M299-F367 HydrophobicContact SD-CD1 3.44Å; M299-F367 WeakPolarHBondContact SD-CD1 3.36Å; M299-F367 HydrophobicContact SD-CE1 3.52Å; M299-F367 VanDerWaalsContact SD-CE1 3.52Å; M299-F367 HydrophobicContact SD-CG 4.39Å; Y310-F367 HydrophobicContact CD1-CZ 4.39Å; Y310-F367 HydrophobicContact CE1-CE1 4.18Å; Y310-F367 AromaticContact CE1-CZ 3.59Å; Y310-F367 HydrophobicContact CE1-CZ 3.59Å; Y310-F367 AromaticContact CZ-CZ 3.93Å; V313-F367 HydrophobicContact CB-CE2 4.33Å; V313-F367 HydrophobicContact CG1-CD2 4.01Å; V313-F367 HydrophobicContact CG1-CE2 3.38Å; V313-F367 HydrophobicContact CG1-CZ 4.11Å; V313-F367 HydrophobicContact CG2-CE2 4.01Å; V313-F367 HydrophobicContact CG2-CZ 3.95Å; F367-G369 VanDerWaalsContact CE1-CA 3.47Å; F367-G369 VanDerWaalsContact CE1-N 3.29Å
368I95.9Very high94Very high0 Ų028.6 Ų28.60%015%0.148CC..EExtended strand (participates in β ladder)trans-132109.6170.8-51.4170.4000106Y200 V236 M257 F266 V313 A314 M316Y200-I368 HydrophobicContact CD1-CG2 4.48Å; Y200-I368 HydrophobicContact CE1-CD1 3.96Å; Y200-I368 HydrophobicContact CE1-CG1 4.03Å; Y200-I368 HydrophobicContact CE1-CG2 3.74Å; V236-I368 HydrophobicContact CG1-CD1 4.29Å; V236-I368 HydrophobicContact CG2-CD1 4.01Å; V236-I368 HydrophobicContact CG2-CG1 4.14Å; M257-I368 HydrophobicContact CE-CB 4.32Å; M257-I368 HydrophobicContact CE-CG2 3.99Å; M257-I368 WeakPolarHBondContact CE-O 3.49Å; F266-I368 HydrophobicContact CB-CG2 3.79Å; F266-I368 HydrophobicContact CD1-CG2 4.21Å; F266-I368 HydrophobicContact CD2-CG2 4Å; F266-I368 HydrophobicContact CG-CG2 3.74Å; V313-I368 CarbonylContact C-O 3.57Å; V313-I368 WeakPolarHBondContact CA-O 3.39Å; A314-I368 HydrophobicContact CB-CB 4.12Å; A314-I368 HydrophobicContact CB-CD1 4.35Å; A314-I368 PolarHBondContact N-O 2.85Å; A314-I368 PolarHBondContact O-N 3.06Å; M316-I368 HydrophobicContact CE-CD1 4.38Å
369G95.8Very high94.4Very high0 Ų031.7 Ų31.70%016%0.16CC..EExtended strand (participates in β ladder)trans-109.9121.8176.900000111F266 M267 F367F266-G369 WeakPolarHBondContact CA-O 3.24Å; M267-G369 PolarHBondContact N-O 3.49Å; M267-G369 PolarHBondContact O-N 3.17Å; F367-G369 VanDerWaalsContact CE1-CA 3.47Å; F367-G369 VanDerWaalsContact CE1-N 3.29Å
370N97.1Very high94.9Very high0 Ų025.1 Ų25.10%014%0.135CC..EExtended strand (participates in β ladder)trans-89.6113.1160.6-168.3-12.6000107.7M257 L263 F266 Y310 L311 T312M257-N370 PolarHBondContact O-ND2 3.23Å; L263-N370 PolarHBondContact O-ND2 3.44Å; F266-N370 HydrophobicContact CD1-CB 3.85Å; F266-N370 HydrophobicContact CE1-CB 3.96Å; Y310-N370 CarbonylContact C-O 3.59Å; Y310-N370 WeakPolarHBondContact CA-O 3.25Å; L311-N370 HydrophobicContact CB-CB 4.37Å; L311-N370 PolarHBondContact N-O 3.13Å; T312-N370 PolarHBondContact N-O 3.06Å; T312-N370 PolarHBondContact O-N 2.81Å; T312-N370 VanDerWaalsContact OG1-CB 3.26Å; T312-N370 WeakPolarHBondContact OG1-CB 3.48Å
371S97.1Very high95.3Very high0 Ų021.6 Ų21.60%010%0.097CC..EExtended strand (participates in β ladder)trans-146.8142.8-177.4164.40000111.6M267 R309 A373 I374M267-S371 VanDerWaalsContact CE-CB 3.42Å; R309-S371 CarbonylContact O-C 3.59Å; R309-S371 WeakPolarHBondContact O-CA 3.33Å; R309-S371 VanDerWaalsContact O-CB 3.24Å; R309-S371 WeakPolarHBondContact O-CB 3.39Å; R309-S371 PolarHBondContact O-OG 3.39Å; S371-A373 PolarHBondContact O-N 3.01Å; S371-A373 PolarHBondContact OG-N 3.38Å; S371-I374 WeakPolarHBondContact O-CB 3.46Å; S371-I374 WeakPolarHBondContact O-CG2 3.33Å; S371-I374 PolarHBondContact O-N 3.05Å
372T97.7Very high95.5Very high0 Ų019.7 Ų19.70%09%0.088CC..G310 helixtrans-59.6-18.8177.669.30000113G308 R309 L311 I374 Q375 Y422 Q426G308-T372 WeakPolarHBondContact CA-OG1 3.47Å; R309-T372 PolarHBondContact N-OG1 2.92Å; R309-T372 PolarHBondContact O-N 3.38Å; R309-T372 PolarHBondContact O-OG1 2.84Å; L311-T372 HydrophobicContact CD2-CG2 3.83Å; L311-T372 HydrophobicContact CG-CG2 4.21Å; T372-I374 PolarHBondContact O-N 3.25Å; T372-I374 VanDerWaalsContact O-N 3.17Å; T372-Q375 WeakPolarHBondContact O-CB 3.48Å; T372-Q375 WeakPolarHBondContact O-CG 3.46Å; T372-Q375 PolarHBondContact O-N 3.03Å; T372-Q375 VanDerWaalsContact O-N 3.14Å; T372-Y422 HydrophobicContact CG2-CD1 4.23Å; T372-Y422 WeakPolarHBondContact CG2-O 3.43Å; T372-Q426 HydrophobicContact CG2-CB 3.85Å; T372-Q426 HydrophobicContact CG2-CG 4.46Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.38Å; T372-Q426 PolarHBondContact OG1-OE1 3.01Å
373A97Very high95.7Very high1 Ų117.6 Ų17.61%0.0088%0.081CC..G310 helixtrans-61.6-19.8173.500000113.1M267 C303 D304 S371 Q375 E376M267-A373 HydrophobicContact CE-CB 4.33Å; C303-A373 HydrophobicContact CB-CB 4.37Å; C303-A373 WeakPolarHBondContact CB-O 3.4Å; D304-A373 WeakPolarHBondContact O-CB 3.48Å; S371-A373 PolarHBondContact O-N 3.01Å; S371-A373 PolarHBondContact OG-N 3.38Å; A373-Q375 PolarHBondContact O-N 3.36Å; A373-E376 WeakPolarHBondContact O-CB 3.34Å; A373-E376 WeakPolarHBondContact O-CG 3.4Å; A373-E376 PolarHBondContact O-N 3.47Å
374I97Very high95.7Very high0 Ų019.5 Ų19.50%09%0.09CC..G310 helixtrans-56.8-22.9174-163.963.3000112.4C201 F265 M267 A301 S371 T372 E376 L377 F378 Y422C201-I374 HydrophobicContact CB-CD1 4.03Å; F265-I374 HydrophobicContact CB-CG1 4.08Å; M267-I374 HydrophobicContact CG-CD1 3.79Å; M267-I374 HydrophobicContact SD-CD1 4.49Å; A301-I374 HydrophobicContact CB-CD1 4.29Å; S371-I374 WeakPolarHBondContact O-CB 3.46Å; S371-I374 WeakPolarHBondContact O-CG2 3.33Å; S371-I374 PolarHBondContact O-N 3.05Å; T372-I374 PolarHBondContact O-N 3.25Å; T372-I374 VanDerWaalsContact O-N 3.17Å; I374-E376 PolarHBondContact O-N 3.49Å; I374-E376 VanDerWaalsContact O-N 3.12Å; I374-L377 HydrophobicContact CD1-CB 4.27Å; I374-L377 HydrophobicContact CD1-CD1 4.21Å; I374-L377 WeakPolarHBondContact O-CB 3.34Å; I374-L377 PolarHBondContact O-N 3.4Å; I374-F378 HydrophobicContact CG1-CE2 3.99Å; I374-F378 HydrophobicContact CG1-CZ 4.06Å; I374-F378 HydrophobicContact CG2-CE2 3.98Å; I374-F378 PolarHBondContact O-N 2.9Å; I374-Y422 HydrophobicContact CG2-CD1 4.17Å; I374-Y422 HydrophobicContact CG2-CD2 4.15Å; I374-Y422 HydrophobicContact CG2-CE1 3.69Å; I374-Y422 HydrophobicContact CG2-CE2 3.72Å; I374-Y422 HydrophobicContact CG2-CG 4.37Å; I374-Y422 VanDerWaalsContact CG2-CZ 3.46Å
375Q96.1Very high95.7Very high7 Ų719.5 Ų19.53%0.0339%0.09CC..Hα-helixtrans-55.9-27.6173.476177-54.100113.2T372 A373 L377 F378 K379 V419 Q423T372-Q375 WeakPolarHBondContact O-CB 3.48Å; T372-Q375 WeakPolarHBondContact O-CG 3.46Å; T372-Q375 PolarHBondContact O-N 3.03Å; T372-Q375 VanDerWaalsContact O-N 3.14Å; A373-Q375 PolarHBondContact O-N 3.36Å; Q375-L377 VanDerWaalsContact C-N 3.28Å; Q375-L377 PolarHBondContact O-N 3.33Å; Q375-F378 PolarHBondContact O-N 3.06Å; Q375-K379 WeakPolarHBondContact O-CB 3.15Å; Q375-K379 VanDerWaalsContact O-CG 3.27Å; Q375-K379 WeakPolarHBondContact O-CG 3.49Å; Q375-K379 PolarHBondContact O-N 3.3Å; Q375-V419 HydrophobicContact CB-CG1 4.39Å; Q375-V419 HydrophobicContact CB-CG2 4.41Å; Q375-Q423 VanDerWaalsContact NE2-OE1 3.08Å
376E95.2Very high95.8Very high61 Ų6120.7 Ų20.729%0.28510%0.097SC..Hα-helixtrans-62.2-37.6176-65.6-17114500111.8C303 D304 H307 A373 I374 R380C303-E376 WeakPolarHBondContact CA-OE2 3.29Å; C303-E376 HydrophobicContact CB-CB 4.4Å; D304-E376 PolarHBondContact N-OE2 2.69Å; H307-E376 WeakPolarHBondContact CB-OE1 3.37Å; H307-E376 IonicContact CE1-OE1 2.88Å; H307-E376 IonicContact CG-OE1 3.82Å; H307-E376 IonicContact ND1-OE1 2.58Å; H307-E376 PolarHBondContact ND1-OE1 2.88Å; H307-E376 IonicContact ND1-OE2 3.08Å; A373-E376 WeakPolarHBondContact O-CB 3.34Å; A373-E376 WeakPolarHBondContact O-CG 3.4Å; A373-E376 PolarHBondContact O-N 3.47Å; I374-E376 PolarHBondContact O-N 3.49Å; I374-E376 VanDerWaalsContact O-N 3.12Å; E376-R380 WeakPolarHBondContact O-CB 3.17Å; E376-R380 PolarHBondContact O-N 3.46Å
377L94.8Very high95.7Very high2 Ų223.2 Ų23.21%0.0112%0.118CC..Hα-helixtrans-64.7-46176.7-177.7149.3000110.5V170 C201 D203 A301 I374 Q375 R380 V381V170-L377 HydrophobicContact CB-CD1 4.28Å; V170-L377 HydrophobicContact CG1-CD1 4.1Å; V170-L377 HydrophobicContact CG1-CD2 3.87Å; V170-L377 HydrophobicContact CG1-CG 4.08Å; V170-L377 HydrophobicContact CG2-CD1 4Å; V170-L377 HydrophobicContact CG2-CD2 4.16Å; C201-L377 HydrophobicContact CB-CD1 4.42Å; D203-L377 HydrophobicContact CB-CD1 4.5Å; A301-L377 HydrophobicContact CB-CD1 4.4Å; I374-L377 HydrophobicContact CD1-CB 4.27Å; I374-L377 HydrophobicContact CD1-CD1 4.21Å; I374-L377 WeakPolarHBondContact O-CB 3.34Å; I374-L377 PolarHBondContact O-N 3.4Å; Q375-L377 VanDerWaalsContact C-N 3.28Å; Q375-L377 PolarHBondContact O-N 3.33Å; L377-R380 PolarHBondContact O-N 3.49Å; L377-V381 WeakPolarHBondContact O-CG2 3.41Å; L377-V381 PolarHBondContact O-N 3.26Å; L377-V381 VanDerWaalsContact O-N 3.14Å
378F96.2Very high95.6Very high1 Ų124.5 Ų24.50%0.00412%0.124CC..Hα-helixtrans-67.6-42.5178.6-57.2-45.4000112.2V189 F265 I374 Q375 R380 V381 S382 M415 L418 V419 Y422V189-F378 HydrophobicContact CG1-CD1 4.24Å; V189-F378 HydrophobicContact CG1-CE1 4.09Å; V189-F378 HydrophobicContact CG2-CD1 4.39Å; V189-F378 HydrophobicContact CG2-CE1 4.18Å; F265-F378 HydrophobicContact CB-CZ 4.1Å; F265-F378 HydrophobicContact CD1-CE1 4.26Å; F265-F378 AromaticContact CD1-CZ 3.68Å; F265-F378 HydrophobicContact CD1-CZ 3.68Å; F265-F378 HydrophobicContact CD2-CE2 4.42Å; F265-F378 AromaticContact CD2-CZ 3.98Å; F265-F378 HydrophobicContact CD2-CZ 3.98Å; F265-F378 HydrophobicContact CE1-CE1 4.31Å; F265-F378 HydrophobicContact CE1-CZ 4.01Å; F265-F378 HydrophobicContact CE2-CZ 4.3Å; F265-F378 HydrophobicContact CG-CE2 4.36Å; F265-F378 AromaticContact CG-CZ 3.65Å; F265-F378 HydrophobicContact CG-CZ 3.65Å; F265-F378 HydrophobicContact CZ-CZ 4.31Å; I374-F378 HydrophobicContact CG1-CE2 3.99Å; I374-F378 HydrophobicContact CG1-CZ 4.06Å; I374-F378 HydrophobicContact CG2-CE2 3.98Å; I374-F378 PolarHBondContact O-N 2.9Å; Q375-F378 PolarHBondContact O-N 3.06Å; F378-R380 VanDerWaalsContact C-N 3.32Å; F378-R380 PolarHBondContact O-N 2.82Å; F378-V381 PolarHBondContact O-N 2.93Å; F378-S382 VanDerWaalsContact O-CB 3.3Å; F378-S382 WeakPolarHBondContact O-CB 3.47Å; F378-S382 PolarHBondContact O-N 3.25Å; F378-M415 HydrophobicContact CB-CG 4.1Å; F378-M415 HydrophobicContact CB-SD 4.37Å; F378-L418 HydrophobicContact CD2-CD2 3.92Å; F378-L418 HydrophobicContact CE2-CD2 3.63Å; F378-L418 HydrophobicContact CE2-CG 4.4Å; F378-L418 HydrophobicContact CG-CD2 4.49Å; F378-L418 HydrophobicContact CZ-CD2 3.97Å; F378-V419 HydrophobicContact CB-CG2 3.64Å; F378-V419 HydrophobicContact CD2-CG2 4.42Å; F378-Y422 HydrophobicContact CE2-CD2 4.44Å; F378-Y422 AromaticContact CE2-CE2 3.9Å; F378-Y422 HydrophobicContact CE2-CE2 3.9Å
379K95.6Very high95.6Very high80 Ų8026 Ų2635%0.34813%0.131SC..Hα-helixtrans-57.6-44.2173.9-74174.9-172.31760111.3Q375 V381 S382 E383 V419Q375-K379 WeakPolarHBondContact O-CB 3.15Å; Q375-K379 VanDerWaalsContact O-CG 3.27Å; Q375-K379 WeakPolarHBondContact O-CG 3.49Å; Q375-K379 PolarHBondContact O-N 3.3Å; K379-V381 PolarHBondContact O-N 3.32Å; K379-S382 PolarHBondContact O-N 2.59Å; K379-E383 WeakPolarHBondContact O-CG 3.38Å; K379-E383 PolarHBondContact O-N 3.3Å; K379-V419 HydrophobicContact CD-CG1 4.3Å; K379-V419 HydrophobicContact CG-CG1 4.04Å; K379-V419 HydrophobicContact CG-CG2 4.31Å
380R93.8Very high95.6Very high44 Ų4435.7 Ų35.717%0.16617%0.167CC..Hα-helixtrans-61.4-42.7177.4-176.2-175.562.5-168.8-15.3112.3D203 E205 E376 L377 F378 Q384D203-R380 IonicContact OD1-NH1 3.27Å; D203-R380 IonicContact OD1-NH2 3.87Å; D203-R380 IonicContact OD2-CZ 2.86Å; D203-R380 VanDerWaalsContact OD2-CZ 3.24Å; D203-R380 IonicContact OD2-NH1 2.77Å; D203-R380 PolarHBondContact OD2-NH1 3.49Å; D203-R380 IonicContact OD2-NH2 2.78Å; D203-R380 PolarHBondContact OD2-NH2 2.87Å; E205-R380 IonicContact OE2-CZ 2.81Å; E205-R380 IonicContact OE2-NH1 2.86Å; E205-R380 PolarHBondContact OE2-NH1 2.86Å; E376-R380 WeakPolarHBondContact O-CB 3.17Å; E376-R380 PolarHBondContact O-N 3.46Å; L377-R380 PolarHBondContact O-N 3.49Å; F378-R380 VanDerWaalsContact C-N 3.32Å; F378-R380 PolarHBondContact O-N 2.82Å; R380-Q384 WeakPolarHBondContact O-CG 3.39Å; R380-Q384 PolarHBondContact O-N 3.32Å
381V94.1Very high95.6Very high5 Ų545.9 Ų45.93%0.0321%0.206CC..Hα-helixtrans-66.6-45.7176.2173.90000110.4V170 A185 L377 F378 K379 E383 Q384 F385 M415V170-V381 HydrophobicContact CG1-CG2 4.44Å; A185-V381 HydrophobicContact CB-CG1 3.75Å; A185-V381 HydrophobicContact CB-CG2 4.46Å; L377-V381 WeakPolarHBondContact O-CG2 3.41Å; L377-V381 PolarHBondContact O-N 3.26Å; L377-V381 VanDerWaalsContact O-N 3.14Å; F378-V381 PolarHBondContact O-N 2.93Å; K379-V381 PolarHBondContact O-N 3.32Å; V381-E383 PolarHBondContact O-N 2.95Å; V381-Q384 PolarHBondContact O-N 3.46Å; V381-F385 WeakPolarHBondContact O-CB 3.39Å; V381-F385 PolarHBondContact O-N 3.14Å; V381-M415 HydrophobicContact CB-SD 4.45Å; V381-M415 HydrophobicContact CG1-SD 4.27Å
382S94.9Very high95.5Very high10 Ų1051.7 Ų51.77%0.0723%0.231CC..Hα-helixtrans-56.8-48177.6-166.90000112.3F378 K379 Q384 F385 T386 M415 N416F378-S382 VanDerWaalsContact O-CB 3.3Å; F378-S382 WeakPolarHBondContact O-CB 3.47Å; F378-S382 PolarHBondContact O-N 3.25Å; K379-S382 PolarHBondContact O-N 2.59Å; S382-Q384 VanDerWaalsContact C-N 3.31Å; S382-Q384 PolarHBondContact O-N 3.01Å; S382-F385 WeakPolarHBondContact O-CB 3.32Å; S382-F385 PolarHBondContact O-N 3Å; S382-T386 WeakPolarHBondContact O-CB 3.47Å; S382-T386 PolarHBondContact O-N 3.25Å; S382-T386 PolarHBondContact O-OG1 3.49Å; S382-M415 VanDerWaalsContact CA-CE 3.49Å; S382-M415 VanDerWaalsContact CB-CE 3.44Å; S382-N416 PolarHBondContact OG-OD1 3.15Å
383E94.8Very high95.4Very high140 Ų14053.1 Ų53.165%0.65424%0.243SC*.Hα-helixtrans-58.7-41.8178.6-75.6175.4-174.900112.7K379 V381 A387K379-E383 WeakPolarHBondContact O-CG 3.38Å; K379-E383 PolarHBondContact O-N 3.3Å; V381-E383 PolarHBondContact O-N 2.95Å; E383-A387 WeakPolarHBondContact O-CB 3.15Å; E383-A387 PolarHBondContact O-N 3.22Å; E383-A387 VanDerWaalsContact O-N 3.13Å
384Q93.8Very high95.3Very high58 Ų5856.4 Ų56.427%0.27126%0.257SS..Hα-helixtrans-70-43.1178.2-66.8171.314.400111.3P173 P182 R380 V381 S382 A387 M388P173-Q384 VanDerWaalsContact CG-NE2 3.33Å; P182-Q384 HydrophobicContact CB-CB 3.84Å; P182-Q384 HydrophobicContact CG-CB 3.66Å; R380-Q384 WeakPolarHBondContact O-CG 3.39Å; R380-Q384 PolarHBondContact O-N 3.32Å; V381-Q384 PolarHBondContact O-N 3.46Å; S382-Q384 VanDerWaalsContact C-N 3.31Å; S382-Q384 PolarHBondContact O-N 3.01Å; Q384-A387 PolarHBondContact O-N 3.37Å; Q384-M388 WeakPolarHBondContact O-CG 3.23Å; Q384-M388 PolarHBondContact O-N 3.43Å; Q384-M388 VanDerWaalsContact O-N 3.16Å
385F95.6Very high95.2Very high0 Ų056.9 Ų56.90%026%0.26CS..Hα-helixtrans-55.4-56173.7175-81.1000110.8P182 Y183 T186 V381 S382 A387 M388 F389 F408 E412P182-F385 HydrophobicContact CB-CB 4.32Å; 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 3.54Å; Y183-F385 HydrophobicContact CD1-CE2 3.54Å; Y183-F385 HydrophobicContact CD1-CG 4.32Å; Y183-F385 HydrophobicContact CD1-CZ 4.4Å; Y183-F385 HydrophobicContact CE1-CD2 4.07Å; Y183-F385 HydrophobicContact CE1-CE2 4.06Å; T186-F385 VanDerWaalsContact CB-CD2 3.49Å; T186-F385 HydrophobicContact CG2-CD2 3.71Å; T186-F385 HydrophobicContact CG2-CE2 3.72Å; T186-F385 HydrophobicContact CG2-CG 4.29Å; T186-F385 HydrophobicContact CG2-CZ 4.33Å; T186-F385 VanDerWaalsContact OG1-CD2 3.29Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.33Å; V381-F385 WeakPolarHBondContact O-CB 3.39Å; V381-F385 PolarHBondContact O-N 3.14Å; S382-F385 WeakPolarHBondContact O-CB 3.32Å; S382-F385 PolarHBondContact O-N 3Å; F385-A387 VanDerWaalsContact C-N 3.27Å; F385-A387 PolarHBondContact O-N 3.49Å; F385-M388 PolarHBondContact O-N 3Å; F385-F389 HydrophobicContact CD1-CB 4.24Å; F385-F389 HydrophobicContact CE1-CB 3.89Å; F385-F389 HydrophobicContact CE1-CD1 4.47Å; F385-F389 HydrophobicContact CE1-CD2 4.29Å; F385-F389 AromaticContact CE1-CG 3.98Å; F385-F389 HydrophobicContact CE1-CG 3.98Å; F385-F389 HydrophobicContact CZ-CB 4.41Å; F385-F389 HydrophobicContact CZ-CD2 4.1Å; F385-F389 HydrophobicContact CZ-CG 4.26Å; F385-F389 WeakPolarHBondContact O-CB 3.24Å; F385-F389 PolarHBondContact O-N 3.32Å; F385-F408 AromaticContact CE2-CD1 3.79Å; F385-F408 HydrophobicContact CE2-CD1 3.79Å; F385-F408 HydrophobicContact CZ-CB 4.01Å; F385-F408 AromaticContact CZ-CD1 3.92Å; F385-F408 HydrophobicContact CZ-CD1 3.92Å; F385-F408 HydrophobicContact CZ-CG 4.49Å; F385-F408 WeakPolarHBondContact CZ-O 3.46Å; F385-E412 HydrophobicContact CD1-CB 4.18Å; F385-E412 HydrophobicContact CD1-CG 3.93Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.47Å; F385-E412 HydrophobicContact CE1-CB 3.62Å; F385-E412 VanDerWaalsContact CE1-CD 3.44Å; F385-E412 HydrophobicContact CE1-CG 3.79Å; F385-E412 HydrophobicContact CZ-CB 4.09Å
386T96.3Very high95.2Very high26 Ų2662.5 Ų62.516%0.1629%0.285CS..Hα-helixtrans-58.8-40.2-177.6-56.60000111.1S382 M388 F389 R390 E412S382-T386 WeakPolarHBondContact O-CB 3.47Å; S382-T386 PolarHBondContact O-N 3.25Å; S382-T386 PolarHBondContact O-OG1 3.49Å; T386-M388 VanDerWaalsContact C-N 3.32Å; T386-M388 PolarHBondContact O-N 3.29Å; T386-F389 PolarHBondContact O-N 2.85Å; T386-R390 HydrophobicContact CG2-CG 4.18Å; T386-R390 VanDerWaalsContact CG2-NE 3.27Å; T386-R390 WeakPolarHBondContact O-CB 3.37Å; T386-R390 VanDerWaalsContact O-CG 3.22Å; T386-R390 WeakPolarHBondContact O-CG 3.15Å; T386-R390 PolarHBondContact O-N 2.79Å; T386-E412 PolarHBondContact OG1-OE1 3.04Å
387A94.5Very high95.3Very high53 Ų5364.9 Ų64.944%0.43829%0.292SS..Hα-helixtrans-62.5-38.2178.200000112.7E383 Q384 F385E383-A387 WeakPolarHBondContact O-CB 3.15Å; E383-A387 PolarHBondContact O-N 3.22Å; E383-A387 VanDerWaalsContact O-N 3.13Å; Q384-A387 PolarHBondContact O-N 3.37Å; F385-A387 VanDerWaalsContact C-N 3.27Å; F385-A387 PolarHBondContact O-N 3.49Å
388M94.8Very high95.4Very high27 Ų2764.8 Ų64.813%0.13329%0.292CS..Hα-helixtrans-75-47.1175.7-68.3-177.361.200112V179 P182 Y183 Q384 F385 T386 R390 R391 K392 A393 F394V179-M388 WeakPolarHBondContact O-CE 3.12Å; V179-M388 VanDerWaalsContact O-SD 3.42Å; P182-M388 HydrophobicContact CB-SD 4.11Å; P182-M388 HydrophobicContact CG-SD 3.73Å; Y183-M388 HydrophobicContact CD2-CE 4.22Å; Y183-M388 HydrophobicContact CE1-CB 3.91Å; Y183-M388 HydrophobicContact CE2-CE 3.93Å; Y183-M388 PolarHBondContact OH-O 3.06Å; Q384-M388 WeakPolarHBondContact O-CG 3.23Å; Q384-M388 PolarHBondContact O-N 3.43Å; Q384-M388 VanDerWaalsContact O-N 3.16Å; F385-M388 PolarHBondContact O-N 3Å; T386-M388 VanDerWaalsContact C-N 3.32Å; T386-M388 PolarHBondContact O-N 3.29Å; M388-R390 PolarHBondContact O-N 3.26Å; M388-R391 PolarHBondContact O-N 2.95Å; M388-R391 VanDerWaalsContact O-N 3.08Å; M388-K392 PolarHBondContact O-N 3.46Å; M388-A393 HydrophobicContact CB-CB 4.5Å; M388-A393 PolarHBondContact O-N 3.41Å; M388-A393 VanDerWaalsContact O-N 3.14Å; M388-F394 HydrophobicContact CE-CD2 3.85Å; M388-F394 HydrophobicContact CE-CE2 4.45Å
389F96.2Very high95.5Very high30 Ų3067.6 Ų67.613%0.13231%0.309CS..Hα-helixtrans-62.2-44.3-175-167.2-106.3000111.8Y183 F385 T386 R391 K392 L395 E405 F408 T409Y183-F389 HydrophobicContact CE1-CB 4.1Å; Y183-F389 HydrophobicContact CE1-CD2 4.23Å; Y183-F389 WeakPolarHBondContact OH-CA 3.42Å; Y183-F389 PolarHBondContact OH-N 2.94Å; F385-F389 HydrophobicContact CD1-CB 4.24Å; F385-F389 HydrophobicContact CE1-CB 3.89Å; F385-F389 HydrophobicContact CE1-CD1 4.47Å; F385-F389 HydrophobicContact CE1-CD2 4.29Å; F385-F389 AromaticContact CE1-CG 3.98Å; F385-F389 HydrophobicContact CE1-CG 3.98Å; F385-F389 HydrophobicContact CZ-CB 4.41Å; F385-F389 HydrophobicContact CZ-CD2 4.1Å; F385-F389 HydrophobicContact CZ-CG 4.26Å; F385-F389 WeakPolarHBondContact O-CB 3.24Å; F385-F389 PolarHBondContact O-N 3.32Å; T386-F389 PolarHBondContact O-N 2.85Å; F389-R391 PolarHBondContact O-N 3.06Å; F389-R391 VanDerWaalsContact O-N 3.11Å; F389-K392 WeakPolarHBondContact O-CA 3.3Å; F389-K392 PolarHBondContact O-N 3.46Å; F389-L395 HydrophobicContact CD2-CD1 4.08Å; F389-L395 HydrophobicContact CD2-CD2 3.72Å; F389-L395 HydrophobicContact CD2-CG 4.48Å; F389-L395 HydrophobicContact CE2-CD1 3.88Å; F389-L395 HydrophobicContact CE2-CD2 3.84Å; F389-E405 HydrophobicContact CE2-CG 4.33Å; F389-E405 HydrophobicContact CZ-CG 4.1Å; F389-F408 HydrophobicContact CD2-CB 4.08Å; F389-F408 HydrophobicContact CD2-CD1 4.28Å; F389-F408 HydrophobicContact CD2-CG 4.29Å; F389-F408 HydrophobicContact CE2-CB 3.42Å; F389-F408 VanDerWaalsContact CE2-CB 3.42Å; F389-F408 HydrophobicContact CE2-CD1 4.24Å; F389-F408 HydrophobicContact CE2-CD2 4.4Å; F389-F408 AromaticContact CE2-CG 3.79Å; F389-F408 HydrophobicContact CE2-CG 3.79Å; F389-F408 HydrophobicContact CZ-CB 3.96Å; F389-T409 HydrophobicContact CE1-CG2 4Å; F389-T409 HydrophobicContact CZ-CG2 4.22Å
390R95.8Very high95.5Very high205 Ų20566.8 Ų66.877%0.77432%0.323SS*.THydrogen-bonded Turntrans-56.4-30.2175.5-76.7177.8-178.4175.25.5113.5T386 M388T386-R390 HydrophobicContact CG2-CG 4.18Å; T386-R390 VanDerWaalsContact CG2-NE 3.27Å; T386-R390 WeakPolarHBondContact O-CB 3.37Å; T386-R390 VanDerWaalsContact O-CG 3.22Å; T386-R390 WeakPolarHBondContact O-CG 3.15Å; T386-R390 PolarHBondContact O-N 2.79Å; M388-R390 PolarHBondContact O-N 3.26Å
391R96.1Very high95.6Very high213 Ų21367.3 Ų67.380%0.80433%0.327SS*.THydrogen-bonded Turntrans-92-1178.6-64.2178.8-179.3177.73112.7M388 F389 A393M388-R391 PolarHBondContact O-N 2.95Å; M388-R391 VanDerWaalsContact O-N 3.08Å; F389-R391 PolarHBondContact O-N 3.06Å; F389-R391 VanDerWaalsContact O-N 3.11Å; R391-A393 HydrophobicContact CB-CB 4.46Å; R391-A393 PolarHBondContact O-N 3.08Å; R391-A393 VanDerWaalsContact O-N 3.15Å
392K95.6Very high95.6Very high122 Ų12270 Ų7053%0.5336%0.357SS..THydrogen-bonded Turntrans5032.3-169.3-58.6-166176.2-1170112.5M388 F389 F394 L395 E405M388-K392 PolarHBondContact O-N 3.46Å; F389-K392 WeakPolarHBondContact O-CA 3.3Å; F389-K392 PolarHBondContact O-N 3.46Å; K392-F394 PolarHBondContact O-N 3.35Å; K392-L395 HydrophobicContact CB-CD1 3.72Å; K392-L395 HydrophobicContact CB-CG 4.33Å; K392-L395 HydrophobicContact CD-CD1 4.43Å; K392-L395 HydrophobicContact CG-CD1 3.8Å; K392-E405 IonicContact NZ-OE1 2.81Å; K392-E405 PolarHBondContact NZ-OE1 3.14Å; K392-E405 IonicContact NZ-OE2 2.69Å; K392-E405 PolarHBondContact NZ-OE2 2.86Å
393A95.1Very high95.7Very high30 Ų3069.8 Ų69.825%0.24836%0.355CS..THydrogen-bonded Turntrans-66.5128.2-177.800000109Y183 M388 R391 L395Y183-A393 WeakPolarHBondContact CE2-O 3.24Å; Y183-A393 PolarHBondContact OH-O 3.36Å; M388-A393 HydrophobicContact CB-CB 4.5Å; M388-A393 PolarHBondContact O-N 3.41Å; M388-A393 VanDerWaalsContact O-N 3.14Å; R391-A393 HydrophobicContact CB-CB 4.46Å; R391-A393 PolarHBondContact O-N 3.08Å; R391-A393 VanDerWaalsContact O-N 3.15Å; A393-L395 PolarHBondContact O-N 3.5Å
394F95.5Very high95.8Very high71 Ų7167.3 Ų67.331%0.31135%0.346SS..THydrogen-bonded Turntrans57.74.6177.9-48.7-76000117V179 V180 M388 K392 H396 W397V179-F394 HydrophobicContact CB-CE2 4.23Å; V179-F394 HydrophobicContact CB-CZ 4.45Å; V179-F394 HydrophobicContact CG2-CD2 4.27Å; V179-F394 HydrophobicContact CG2-CE1 4.21Å; V179-F394 HydrophobicContact CG2-CE2 3.78Å; V179-F394 HydrophobicContact CG2-CZ 3.76Å; V180-F394 HydrophobicContact CG1-CB 3.8Å; V180-F394 HydrophobicContact CG1-CD2 4.14Å; V180-F394 HydrophobicContact CG1-CG 3.96Å; M388-F394 HydrophobicContact CE-CD2 3.85Å; M388-F394 HydrophobicContact CE-CE2 4.45Å; K392-F394 PolarHBondContact O-N 3.35Å; F394-H396 PolarHBondContact O-N 2.83Å; F394-H396 VanDerWaalsContact O-N 3.17Å; F394-W397 HydrophobicContact CB-CD2 4.25Å; F394-W397 HydrophobicContact CB-CE3 4.3Å; F394-W397 HydrophobicContact CD1-CD2 4.08Å; F394-W397 AromaticContact CD1-CE2 3.83Å; F394-W397 HydrophobicContact CD1-CE3 4.09Å; F394-W397 AromaticContact CD1-CH2 3.67Å; F394-W397 HydrophobicContact CD1-CH2 3.67Å; F394-W397 AromaticContact CD1-CZ2 3.63Å; F394-W397 HydrophobicContact CD1-CZ2 3.63Å; F394-W397 AromaticContact CD1-CZ3 3.9Å; F394-W397 HydrophobicContact CD1-CZ3 3.9Å; F394-W397 AromaticContact CE1-CH2 3.87Å; F394-W397 HydrophobicContact CE1-CH2 3.87Å; 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 3.29Å; F394-W397 WeakPolarHBondContact O-CB 3.47Å; F394-W397 PolarHBondContact O-N 2.88Å
395L95.3Very high95.8Very high10 Ų1068.1 Ų68.15%0.05235%0.35CS..Hα-helixtrans-56.2-37.9-177.5-71.5-175.8000113.5Y183 F389 K392 A393 W397 Y398 T399 F408Y183-L395 HydrophobicContact CE1-CD2 4.25Å; Y183-L395 HydrophobicContact CE2-CD2 3.76Å; Y183-L395 WeakPolarHBondContact OH-CD2 3.44Å; F389-L395 HydrophobicContact CD2-CD1 4.08Å; F389-L395 HydrophobicContact CD2-CD2 3.72Å; F389-L395 HydrophobicContact CD2-CG 4.48Å; F389-L395 HydrophobicContact CE2-CD1 3.88Å; F389-L395 HydrophobicContact CE2-CD2 3.84Å; K392-L395 HydrophobicContact CB-CD1 3.72Å; K392-L395 HydrophobicContact CB-CG 4.33Å; K392-L395 HydrophobicContact CD-CD1 4.43Å; K392-L395 HydrophobicContact CG-CD1 3.8Å; A393-L395 PolarHBondContact O-N 3.5Å; L395-W397 PolarHBondContact O-N 3.42Å; L395-W397 VanDerWaalsContact O-N 3.09Å; L395-Y398 PolarHBondContact O-N 3.05Å; L395-T399 PolarHBondContact O-N 3.33Å; L395-T399 PolarHBondContact O-OG1 2.87Å; L395-F408 HydrophobicContact CD2-CD1 4.32Å; L395-F408 HydrophobicContact CD2-CE1 4.07Å; L395-F408 HydrophobicContact CD2-CE2 4.27Å; L395-F408 HydrophobicContact CD2-CZ 4.03Å
396H95.6Very high95.9Very high124 Ų12474.1 Ų74.157%0.57438%0.379SS*.Hα-helixtrans-61-17.2177.467.2-75.3000114.2F394 Y398 T399 G400F394-H396 PolarHBondContact O-N 2.83Å; F394-H396 VanDerWaalsContact O-N 3.17Å; H396-Y398 VanDerWaalsContact C-N 3.33Å; H396-T399 WeakPolarHBondContact CA-OG1 3.49Å; H396-G400 PolarHBondContact O-N 3.26Å; H396-G400 VanDerWaalsContact O-N 3.11Å
397W96.5Very high95.9Very high112 Ų11275 Ų7542%0.42438%0.382SS..Hα-helixtrans-73.2-28.8172.5-64.31.9000111.5N100 V180 F394 L395 E401N100-W397 PolarHBondContact ND2-O 3.01Å; V180-W397 HydrophobicContact CG1-CE3 4.13Å; V180-W397 HydrophobicContact CG1-CZ3 4.24Å; F394-W397 HydrophobicContact CB-CD2 4.25Å; F394-W397 HydrophobicContact CB-CE3 4.3Å; F394-W397 HydrophobicContact CD1-CD2 4.08Å; F394-W397 AromaticContact CD1-CE2 3.83Å; F394-W397 HydrophobicContact CD1-CE3 4.09Å; F394-W397 AromaticContact CD1-CH2 3.67Å; F394-W397 HydrophobicContact CD1-CH2 3.67Å; F394-W397 AromaticContact CD1-CZ2 3.63Å; F394-W397 HydrophobicContact CD1-CZ2 3.63Å; F394-W397 AromaticContact CD1-CZ3 3.9Å; F394-W397 HydrophobicContact CD1-CZ3 3.9Å; F394-W397 AromaticContact CE1-CH2 3.87Å; F394-W397 HydrophobicContact CE1-CH2 3.87Å; 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 3.29Å; F394-W397 WeakPolarHBondContact O-CB 3.47Å; F394-W397 PolarHBondContact O-N 2.88Å; L395-W397 PolarHBondContact O-N 3.42Å; L395-W397 VanDerWaalsContact O-N 3.09Å; W397-E401 WeakPolarHBondContact O-CG 3.49Å
398Y98.1Very high96.1Very high0 Ų072.5 Ų72.50%036%0.361CS..Hα-helixtrans-90.3-47.5-179.7-68.4-110.4000110.6N100 W101 A102 V180 Y183 N184 L187 L395 H396 G400 E401 M403 F408N100-Y398 WeakPolarHBondContact OD1-CD1 3.49Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.5Å; W101-Y398 HydrophobicContact CB-CE1 4.01Å; A102-Y398 HydrophobicContact CB-CD1 3.75Å; A102-Y398 HydrophobicContact CB-CG 4.2Å; V180-Y398 HydrophobicContact CB-CE2 4.23Å; V180-Y398 VanDerWaalsContact CB-OH 3.29Å; V180-Y398 WeakPolarHBondContact CB-OH 3.28Å; V180-Y398 HydrophobicContact CG1-CE2 4.33Å; V180-Y398 WeakPolarHBondContact CG2-OH 3.36Å; V180-Y398 PolarHBondContact O-OH 3.48Å; Y183-Y398 HydrophobicContact CD2-CD2 4.28Å; Y183-Y398 AromaticContact CD2-CE2 3.68Å; Y183-Y398 HydrophobicContact CD2-CE2 3.68Å; Y183-Y398 AromaticContact CD2-CZ 3.98Å; Y183-Y398 HydrophobicContact CG-CE2 4.49Å; N184-Y398 PolarHBondContact OD1-OH 3.19Å; L187-Y398 HydrophobicContact CD1-CD1 4.15Å; L187-Y398 HydrophobicContact CD1-CE1 4.05Å; L395-Y398 PolarHBondContact O-N 3.05Å; H396-Y398 VanDerWaalsContact C-N 3.33Å; Y398-G400 PolarHBondContact O-N 3.33Å; Y398-E401 WeakPolarHBondContact O-CB 3.42Å; Y398-E401 PolarHBondContact O-N 2.98Å; Y398-M403 HydrophobicContact CD1-SD 4.02Å; Y398-M403 WeakPolarHBondContact O-CB 3.36Å; 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 4.14Å; Y398-F408 HydrophobicContact CE1-CZ 4.41Å; Y398-F408 HydrophobicContact CG-CE1 4.41Å; Y398-F408 HydrophobicContact CG-CE2 4.39Å; Y398-F408 AromaticContact CG-CZ 3.53Å; Y398-F408 HydrophobicContact CG-CZ 3.53Å
399T96.8Very high96.2Very high59 Ų5974.3 Ų74.336%0.36237%0.373SS..Hα-helixtrans-67.3-25.7178.162.70000112.6L395 H396 E401 G402 M403L395-T399 PolarHBondContact O-N 3.33Å; L395-T399 PolarHBondContact O-OG1 2.87Å; H396-T399 WeakPolarHBondContact CA-OG1 3.49Å; T399-E401 PolarHBondContact O-N 3.34Å; T399-G402 PolarHBondContact O-N 3.25Å; T399-G402 VanDerWaalsContact O-N 3.12Å; T399-M403 WeakPolarHBondContact CA-O 3.46Å
400G96.2Very high96.2Very high63 Ų6378.3 Ų78.365%0.64939%0.392SS*.THydrogen-bonded Turntrans-64.3-22.3170.600000114.1H396 Y398 G402H396-G400 PolarHBondContact O-N 3.26Å; H396-G400 VanDerWaalsContact O-N 3.11Å; Y398-G400 PolarHBondContact O-N 3.33Å; G400-G402 VanDerWaalsContact C-N 3.33Å
401E96.4Very high96.3Very high55 Ų5568.5 Ų68.526%0.25736%0.355SS..THydrogen-bonded Turntrans-90.93.5175.5-57.2-69.4151.400112.1A102 K103 T107 W397 Y398 T399A102-E401 HydrophobicContact CB-CB 3.95Å; A102-E401 HydrophobicContact CB-CG 4.37Å; K103-E401 HydrophobicContact CB-CG 4.06Å; T107-E401 WeakPolarHBondContact CB-OE2 3.38Å; T107-E401 HydrophobicContact CG2-CB 4.16Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.2Å; T107-E401 PolarHBondContact OG1-OE2 2.87Å; W397-E401 WeakPolarHBondContact O-CG 3.49Å; Y398-E401 WeakPolarHBondContact O-CB 3.42Å; Y398-E401 PolarHBondContact O-N 2.98Å; T399-E401 PolarHBondContact O-N 3.34Å
402G94.6Very high96.4Very high63 Ų6359.9 Ų59.965%0.64932%0.324SS*.THydrogen-bonded Turntrans99.1-0176.900000115.7T399 G400T399-G402 PolarHBondContact O-N 3.25Å; T399-G402 VanDerWaalsContact O-N 3.12Å; G400-G402 VanDerWaalsContact C-N 3.33Å
403M97.2Very high96.5Very high5 Ų556.9 Ų56.93%0.02532%0.318CS..  trans-70.6139.9176.9-175.7179172.900112W101 A102 Y106 L187 Y398 T399 E407 F408W101-M403 HydrophobicContact CE3-SD 4.15Å; W101-M403 HydrophobicContact CZ3-CE 4.35Å; W101-M403 HydrophobicContact CZ3-SD 4.03Å; A102-M403 HydrophobicContact CB-CB 4.06Å; A102-M403 HydrophobicContact CB-SD 4Å; Y106-M403 HydrophobicContact CD2-CB 3.91Å; Y106-M403 HydrophobicContact CD2-CG 4.41Å; Y106-M403 HydrophobicContact CE2-CB 3.73Å; Y106-M403 HydrophobicContact CE2-CG 3.78Å; Y106-M403 HydrophobicContact CE2-SD 4.48Å; L187-M403 HydrophobicContact CD1-CE 3.63Å; L187-M403 HydrophobicContact CD1-SD 4.04Å; L187-M403 HydrophobicContact CD2-CE 3.35Å; L187-M403 HydrophobicContact CG-CE 4.14Å; Y398-M403 HydrophobicContact CD1-SD 4.02Å; Y398-M403 WeakPolarHBondContact O-CB 3.36Å; T399-M403 WeakPolarHBondContact CA-O 3.46Å; M403-E407 HydrophobicContact CE-CB 3.58Å; M403-E407 HydrophobicContact CG-CB 4.46Å; M403-F408 HydrophobicContact CE-CD1 4.45Å; M403-F408 HydrophobicContact CE-CD2 3.57Å; M403-F408 HydrophobicContact CE-CE1 4.32Å; M403-F408 HydrophobicContact CE-CE2 3.42Å; M403-F408 VanDerWaalsContact CE-CE2 3.42Å; M403-F408 HydrophobicContact CE-CG 4.1Å; M403-F408 HydrophobicContact CE-CZ 3.83Å; M403-F408 HydrophobicContact CG-CE2 4.33Å; M403-F408 HydrophobicContact SD-CD2 4.34Å; M403-F408 HydrophobicContact SD-CE2 3.61Å; M403-F408 HydrophobicContact SD-CZ 3.87Å
404D96.2Very high96.7Very high87 Ų8756.1 Ų56.147%0.46531%0.31SS..  trans-79.1144.4174.6-160.9-46.4000111.2M406 E407D404-M406 PolarHBondContact O-N 3.38Å; D404-M406 PolarHBondContact OD1-N 3.35Å; D404-E407 HydrophobicContact CB-CG 4.25Å; D404-E407 PolarHBondContact N-OE1 3.23Å; D404-E407 PolarHBondContact O-N 3.44Å
405E94.5Very high96.8Very high76 Ų7652.8 Ų52.836%0.35530%0.296SS..Hα-helixtrans-64.2-26.9173.8-169.7173.3170.300111.2F389 K392 E407 F408F389-E405 HydrophobicContact CE2-CG 4.33Å; F389-E405 HydrophobicContact CZ-CG 4.1Å; K392-E405 IonicContact NZ-OE1 2.81Å; K392-E405 PolarHBondContact NZ-OE1 3.14Å; K392-E405 IonicContact NZ-OE2 2.69Å; K392-E405 PolarHBondContact NZ-OE2 2.86Å; E405-E407 VanDerWaalsContact C-N 3.3Å; E405-E407 PolarHBondContact O-N 3.48Å; E405-F408 WeakPolarHBondContact O-CB 3.37Å; E405-F408 PolarHBondContact O-N 3.04Å
406M96.1Very high96.9Very high125 Ų12555.4 Ų55.462%0.61631%0.31SS*.Hα-helixtrans-63.7-32.7177-67.4-168-178.300113.1D404 F408 T409 E410D404-M406 PolarHBondContact O-N 3.38Å; D404-M406 PolarHBondContact OD1-N 3.35Å; M406-F408 PolarHBondContact O-N 3.33Å; M406-T409 WeakPolarHBondContact CA-OG1 3.48Å; M406-T409 PolarHBondContact O-N 2.9Å; M406-T409 VanDerWaalsContact O-N 3.08Å; M406-T409 PolarHBondContact O-OG1 2.96Å; M406-E410 WeakPolarHBondContact O-CG 3.22Å; M406-E410 PolarHBondContact O-N 3.47Å
407E97.5Very high97Very high46 Ų4653.3 Ų53.322%0.21530%0.303CS..Hα-helixtrans-62.5-32.1178.7-66.7175.6-120.100112.2Y106 M403 D404 E405 E410 A411Y106-E407 PolarHBondContact OH-OE1 2.89Å; Y106-E407 PolarHBondContact OH-OE2 3.26Å; M403-E407 HydrophobicContact CE-CB 3.58Å; M403-E407 HydrophobicContact CG-CB 4.46Å; D404-E407 HydrophobicContact CB-CG 4.25Å; D404-E407 PolarHBondContact N-OE1 3.23Å; D404-E407 PolarHBondContact O-N 3.44Å; E405-E407 VanDerWaalsContact C-N 3.3Å; E405-E407 PolarHBondContact O-N 3.48Å; E407-E410 PolarHBondContact O-N 2.95Å; E407-A411 VanDerWaalsContact O-CB 3.32Å; E407-A411 WeakPolarHBondContact O-CB 3.45Å; E407-A411 PolarHBondContact O-N 3.08Å
408F97.7Very high97.1Very high0 Ų048 Ų480%028%0.282CS..Hα-helixtrans-62.6-45.8173.5-77.4-87.4000111.7Y183 L187 F385 F389 L395 Y398 M403 E405 M406 A411 E412Y183-F408 HydrophobicContact CD1-CD1 4.16Å; 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 4.48Å; Y183-F408 HydrophobicContact CE1-CE1 4.39Å; Y183-F408 HydrophobicContact CG-CD1 4.46Å; Y183-F408 AromaticContact CG-CE1 3.77Å; Y183-F408 HydrophobicContact CG-CE1 3.77Å; L187-F408 HydrophobicContact CD1-CE1 4.07Å; L187-F408 HydrophobicContact CD1-CZ 4.38Å; F385-F408 AromaticContact CE2-CD1 3.79Å; F385-F408 HydrophobicContact CE2-CD1 3.79Å; F385-F408 HydrophobicContact CZ-CB 4.01Å; F385-F408 AromaticContact CZ-CD1 3.92Å; F385-F408 HydrophobicContact CZ-CD1 3.92Å; F385-F408 HydrophobicContact CZ-CG 4.49Å; F385-F408 WeakPolarHBondContact CZ-O 3.46Å; F389-F408 HydrophobicContact CD2-CB 4.08Å; F389-F408 HydrophobicContact CD2-CD1 4.28Å; F389-F408 HydrophobicContact CD2-CG 4.29Å; F389-F408 HydrophobicContact CE2-CB 3.42Å; F389-F408 VanDerWaalsContact CE2-CB 3.42Å; F389-F408 HydrophobicContact CE2-CD1 4.24Å; F389-F408 HydrophobicContact CE2-CD2 4.4Å; F389-F408 AromaticContact CE2-CG 3.79Å; F389-F408 HydrophobicContact CE2-CG 3.79Å; F389-F408 HydrophobicContact CZ-CB 3.96Å; L395-F408 HydrophobicContact CD2-CD1 4.32Å; L395-F408 HydrophobicContact CD2-CE1 4.07Å; L395-F408 HydrophobicContact CD2-CE2 4.27Å; L395-F408 HydrophobicContact CD2-CZ 4.03Å; 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 4.14Å; Y398-F408 HydrophobicContact CE1-CZ 4.41Å; Y398-F408 HydrophobicContact CG-CE1 4.41Å; Y398-F408 HydrophobicContact CG-CE2 4.39Å; Y398-F408 AromaticContact CG-CZ 3.53Å; Y398-F408 HydrophobicContact CG-CZ 3.53Å; M403-F408 HydrophobicContact CE-CD1 4.45Å; M403-F408 HydrophobicContact CE-CD2 3.57Å; M403-F408 HydrophobicContact CE-CE1 4.32Å; M403-F408 HydrophobicContact CE-CE2 3.42Å; M403-F408 VanDerWaalsContact CE-CE2 3.42Å; M403-F408 HydrophobicContact CE-CG 4.1Å; M403-F408 HydrophobicContact CE-CZ 3.83Å; M403-F408 HydrophobicContact CG-CE2 4.33Å; M403-F408 HydrophobicContact SD-CD2 4.34Å; M403-F408 HydrophobicContact SD-CE2 3.61Å; M403-F408 HydrophobicContact SD-CZ 3.87Å; E405-F408 WeakPolarHBondContact O-CB 3.37Å; E405-F408 PolarHBondContact O-N 3.04Å; M406-F408 PolarHBondContact O-N 3.33Å; F408-A411 PolarHBondContact O-N 3.42Å; F408-E412 WeakPolarHBondContact O-CB 3.32Å; F408-E412 PolarHBondContact O-N 3.08Å
409T96.7Very high97Very high65 Ų6548.7 Ų48.740%0.39929%0.287SS..Hα-helixtrans-68.3-37.1178.729.40000112.4F389 M406 S413F389-T409 HydrophobicContact CE1-CG2 4Å; F389-T409 HydrophobicContact CZ-CG2 4.22Å; M406-T409 WeakPolarHBondContact CA-OG1 3.48Å; M406-T409 PolarHBondContact O-N 2.9Å; M406-T409 VanDerWaalsContact O-N 3.08Å; M406-T409 PolarHBondContact O-OG1 2.96Å; T409-S413 WeakPolarHBondContact O-CB 3.27Å; T409-S413 PolarHBondContact O-N 3.11Å
410E97.9Very high97.1Very high113 Ų11349.2 Ų49.253%0.52829%0.293SS..Hα-helixtrans-65-43.8174.5-71.4175.4-175.900111.4M406 E407 S413 N414M406-E410 WeakPolarHBondContact O-CG 3.22Å; M406-E410 PolarHBondContact O-N 3.47Å; E407-E410 PolarHBondContact O-N 2.95Å; E410-S413 PolarHBondContact O-N 3.46Å; E410-N414 WeakPolarHBondContact O-CB 3.34Å; E410-N414 PolarHBondContact O-N 2.86Å
411A97.9Very high97.1Very high0 Ų048.2 Ų48.20%027%0.271CS..Hα-helixtrans-65.5-41.1176.600000112.7T186 L187 H190 E407 F408 M415T186-A411 HydrophobicContact CG2-CB 3.92Å; L187-A411 HydrophobicContact CD2-CB 3.78Å; H190-A411 HydrophobicContact CB-CB 3.67Å; E407-A411 VanDerWaalsContact O-CB 3.32Å; E407-A411 WeakPolarHBondContact O-CB 3.45Å; E407-A411 PolarHBondContact O-N 3.08Å; F408-A411 PolarHBondContact O-N 3.42Å; A411-M415 WeakPolarHBondContact O-CB 3.43Å; A411-M415 PolarHBondContact O-N 3.01Å; A411-M415 VanDerWaalsContact O-N 3.12Å
412E97.5Very high97.2Very high32 Ų3245.6 Ų45.615%0.1526%0.259CS..Hα-helixtrans-62.7-43.5173.5-172.7179.4-143.200111.2F385 T386 F408 M415 N416F385-E412 HydrophobicContact CD1-CB 4.18Å; F385-E412 HydrophobicContact CD1-CG 3.93Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.47Å; F385-E412 HydrophobicContact CE1-CB 3.62Å; F385-E412 VanDerWaalsContact CE1-CD 3.44Å; F385-E412 HydrophobicContact CE1-CG 3.79Å; F385-E412 HydrophobicContact CZ-CB 4.09Å; T386-E412 PolarHBondContact OG1-OE1 3.04Å; F408-E412 WeakPolarHBondContact O-CB 3.32Å; F408-E412 PolarHBondContact O-N 3.08Å; E412-M415 PolarHBondContact O-N 3.35Å; E412-N416 VanDerWaalsContact O-CG 3.24Å; E412-N416 PolarHBondContact O-N 3.38Å; E412-N416 PolarHBondContact O-ND2 3.1Å; E412-N416 VanDerWaalsContact O-ND2 3.09Å
413S97.8Very high97.3Very high58 Ų5845.2 Ų45.241%0.40624%0.241SC..Hα-helixtrans-60.8-53176.6-164.80000111.2T409 E410 M415 N416 D417T409-S413 WeakPolarHBondContact O-CB 3.27Å; T409-S413 PolarHBondContact O-N 3.11Å; E410-S413 PolarHBondContact O-N 3.46Å; S413-M415 PolarHBondContact O-N 3.43Å; S413-N416 WeakPolarHBondContact O-CA 3.5Å; S413-N416 WeakPolarHBondContact O-CB 3.37Å; S413-N416 PolarHBondContact O-N 2.96Å; S413-D417 VanDerWaalsContact O-CG 3.25Å; S413-D417 PolarHBondContact O-N 3.36Å; S413-D417 PolarHBondContact OG-OD2 3.39Å
414N98.1Very high97.3Very high15 Ų1549.3 Ų49.38%0.0826%0.26CS..Hα-helixtrans-58.5-38-178.1-164.115.7000111.7H190 E194 R262 E410 D417 L418H190-N414 WeakPolarHBondContact ND1-CB 3.46Å; H190-N414 PolarHBondContact ND1-ND2 3.28Å; E194-N414 PolarHBondContact OE1-ND2 3.31Å; R262-N414 PolarHBondContact NH1-OD1 3.22Å; R262-N414 PolarHBondContact NH2-OD1 3.26Å; E410-N414 WeakPolarHBondContact O-CB 3.34Å; E410-N414 PolarHBondContact O-N 2.86Å; N414-D417 PolarHBondContact O-N 3.18Å; N414-L418 PolarHBondContact O-N 2.81Å; N414-L418 WeakPolarHBondContact O-CB 3.34Å
415M97.5Very high97.2Very high1 Ų146.2 Ų46.21%0.00524%0.242CC..Hα-helixtrans-68.1-36.6175.6-175.7174.653.700112.7T186 V189 F378 V381 S382 A411 E412 S413 V419T186-M415 HydrophobicContact CG2-CE 3.76Å; T186-M415 WeakPolarHBondContact OG1-CE 3.37Å; V189-M415 HydrophobicContact CG1-CG 4.49Å; F378-M415 HydrophobicContact CB-CG 4.1Å; F378-M415 HydrophobicContact CB-SD 4.37Å; V381-M415 HydrophobicContact CB-SD 4.45Å; V381-M415 HydrophobicContact CG1-SD 4.27Å; S382-M415 VanDerWaalsContact CA-CE 3.49Å; S382-M415 VanDerWaalsContact CB-CE 3.44Å; A411-M415 WeakPolarHBondContact O-CB 3.43Å; A411-M415 PolarHBondContact O-N 3.01Å; A411-M415 VanDerWaalsContact O-N 3.12Å; E412-M415 PolarHBondContact O-N 3.35Å; S413-M415 PolarHBondContact O-N 3.43Å; M415-V419 WeakPolarHBondContact O-CG2 3.29Å; M415-V419 PolarHBondContact O-N 2.93Å; M415-V419 VanDerWaalsContact O-N 3.08Å; M415-V419 VanDerWaalsContact O-CG2 3.32Å
416N97.6Very high97.2Very high65 Ų6544.4 Ų44.435%0.34823%0.233SC..Hα-helixtrans-70.9-35.9175.2-68.5-33.5000112S382 E412 S413 V419 S420S382-N416 PolarHBondContact OG-OD1 3.15Å; E412-N416 VanDerWaalsContact O-CG 3.24Å; E412-N416 PolarHBondContact O-N 3.38Å; E412-N416 PolarHBondContact O-ND2 3.1Å; E412-N416 VanDerWaalsContact O-ND2 3.09Å; S413-N416 WeakPolarHBondContact O-CA 3.5Å; S413-N416 WeakPolarHBondContact O-CB 3.37Å; S413-N416 PolarHBondContact O-N 2.96Å; N416-V419 PolarHBondContact O-N 3.17Å; N416-S420 PolarHBondContact O-N 3.06Å; N416-S420 PolarHBondContact O-OG 3.43Å
417D98Very high97Very high79 Ų7943.2 Ų43.242%0.42223%0.229SC..Hα-helixtrans-65-47174.7-62.7-29.7000109.9S413 N414 V419 S420 E421S413-D417 VanDerWaalsContact O-CG 3.25Å; S413-D417 PolarHBondContact O-N 3.36Å; S413-D417 PolarHBondContact OG-OD2 3.39Å; N414-D417 PolarHBondContact O-N 3.18Å; D417-V419 VanDerWaalsContact C-N 3.3Å; D417-V419 PolarHBondContact O-N 3.45Å; D417-S420 WeakPolarHBondContact O-CB 3.38Å; D417-S420 PolarHBondContact O-N 2.92Å; D417-S420 WeakPolarHBondContact O-CA 3.44Å; D417-S420 CarbonylContact O-C 3.42Å; D417-E421 WeakPolarHBondContact O-CG 3.45Å; D417-E421 PolarHBondContact O-N 2.9Å
418L98Very high96.6Very high0 Ų041.9 Ų41.90%023%0.226CC..Hα-helixtrans-54.7-44.5172.7-179.869.6000112.3V189 V193 R262 F265 F378 N414 S420 E421 Y422V189-L418 HydrophobicContact CG1-CD2 4.44Å; V193-L418 HydrophobicContact CG2-CD1 4.46Å; V193-L418 HydrophobicContact CG2-CD2 3.75Å; R262-L418 HydrophobicContact CB-CD1 4.24Å; R262-L418 WeakPolarHBondContact O-CD1 3.39Å; F265-L418 HydrophobicContact CD2-CD2 4.38Å; F265-L418 HydrophobicContact CE2-CD1 4.45Å; F265-L418 HydrophobicContact CE2-CD2 3.87Å; F265-L418 HydrophobicContact CZ-CD2 4.39Å; F378-L418 HydrophobicContact CD2-CD2 3.92Å; F378-L418 HydrophobicContact CE2-CD2 3.63Å; F378-L418 HydrophobicContact CE2-CG 4.4Å; F378-L418 HydrophobicContact CG-CD2 4.49Å; F378-L418 HydrophobicContact CZ-CD2 3.97Å; N414-L418 PolarHBondContact O-N 2.81Å; N414-L418 WeakPolarHBondContact O-CB 3.34Å; L418-S420 VanDerWaalsContact C-N 3.29Å; L418-S420 PolarHBondContact O-N 2.75Å; L418-E421 PolarHBondContact O-N 3.09Å; L418-Y422 HydrophobicContact CD2-CE2 4.34Å; L418-Y422 PolarHBondContact O-N 3.49Å; L418-Y422 WeakPolarHBondContact O-CD2 3.48Å; L418-Y422 VanDerWaalsContact O-CD2 3.25Å; L418-Y422 HydrophobicContact CG-CD2 4.04Å; L418-Y422 HydrophobicContact CD1-CE2 3.75Å; L418-Y422 HydrophobicContact CD1-CD2 4.17Å; L418-Y422 HydrophobicContact CG-CE2 3.86Å
419V98Very high95.8Very high15 Ų1545 Ų459%0.09125%0.245CC..Hα-helixtrans-61.8-39.5175.7164.20000111.3Q375 F378 K379 M415 N416 D417 Q423Q375-V419 HydrophobicContact CB-CG1 4.39Å; Q375-V419 HydrophobicContact CB-CG2 4.41Å; F378-V419 HydrophobicContact CB-CG2 3.64Å; F378-V419 HydrophobicContact CD2-CG2 4.42Å; K379-V419 HydrophobicContact CD-CG1 4.3Å; K379-V419 HydrophobicContact CG-CG1 4.04Å; K379-V419 HydrophobicContact CG-CG2 4.31Å; M415-V419 WeakPolarHBondContact O-CG2 3.29Å; M415-V419 PolarHBondContact O-N 2.93Å; M415-V419 VanDerWaalsContact O-N 3.08Å; M415-V419 VanDerWaalsContact O-CG2 3.32Å; N416-V419 PolarHBondContact O-N 3.17Å; D417-V419 VanDerWaalsContact C-N 3.3Å; D417-V419 PolarHBondContact O-N 3.45Å; V419-Q423 WeakPolarHBondContact O-CB 3.43Å; V419-Q423 PolarHBondContact O-N 3.41Å
420S97.8Very high94.7Very high70 Ų7044.8 Ų44.849%0.4925%0.25SS..Hα-helixtrans-68.4-39.9178.9-56.60000111.6N416 D417 L418 Q423 Q424N416-S420 PolarHBondContact O-N 3.06Å; N416-S420 PolarHBondContact O-OG 3.43Å; D417-S420 WeakPolarHBondContact O-CB 3.38Å; D417-S420 PolarHBondContact O-N 2.92Å; D417-S420 WeakPolarHBondContact O-CA 3.44Å; D417-S420 CarbonylContact O-C 3.42Å; L418-S420 VanDerWaalsContact C-N 3.29Å; L418-S420 PolarHBondContact O-N 2.75Å; S420-Q423 WeakPolarHBondContact O-CB 3.39Å; S420-Q423 PolarHBondContact O-N 2.87Å; S420-Q424 PolarHBondContact O-N 3.36Å
421E97.3Very high93.4Very high42 Ų4248 Ų4820%0.19627%0.265CS..Hα-helixtrans-60.3-49.9173.1-71167-126.300111.2R262 L263 D417 L418 Q423 Q424 Y425R262-E421 WeakPolarHBondContact CB-OE2 3.43Å; R262-E421 WeakPolarHBondContact CD-OE2 3.31Å; R262-E421 IonicContact CZ-OE1 3.7Å; R262-E421 VanDerWaalsContact NE-CD 3.27Å; R262-E421 IonicContact NE-OE1 3.39Å; R262-E421 PolarHBondContact NE-OE1 2.76Å; R262-E421 IonicContact NE-OE2 3.18Å; R262-E421 PolarHBondContact NE-OE2 3.1Å; R262-E421 IonicContact NH2-OE1 3.18Å; R262-E421 PolarHBondContact NH2-OE1 3.18Å; L263-E421 HydrophobicContact CD1-CB 4.39Å; D417-E421 WeakPolarHBondContact O-CG 3.45Å; D417-E421 PolarHBondContact O-N 2.9Å; L418-E421 PolarHBondContact O-N 3.09Å; E421-Q423 PolarHBondContact O-N 3.1Å; E421-Q424 WeakPolarHBondContact O-CB 3.38Å; E421-Q424 PolarHBondContact O-N 3.45Å; E421-Q424 VanDerWaalsContact O-N 3.15Å; E421-Y425 WeakPolarHBondContact O-CD2 3.12Å; E421-Y425 PolarHBondContact O-N 3.33Å
422Y97.8Very high91.7Very high0 Ų052 Ų520%028%0.284CS..Hα-helixtrans-57.8-37.4175-84.7-66.5000112.4L263 L311 T372 I374 F378 L418 Q426L263-Y422 WeakPolarHBondContact CA-OH 3.31Å; L263-Y422 HydrophobicContact CB-CE1 3.96Å; L263-Y422 HydrophobicContact CD2-CD1 4.28Å; L263-Y422 HydrophobicContact CD2-CE1 4.29Å; L263-Y422 HydrophobicContact CG-CD1 4.03Å; L263-Y422 HydrophobicContact CG-CE1 3.72Å; L311-Y422 HydrophobicContact CD1-CE1 4.42Å; T372-Y422 HydrophobicContact CG2-CD1 4.23Å; T372-Y422 WeakPolarHBondContact CG2-O 3.43Å; I374-Y422 HydrophobicContact CG2-CD1 4.17Å; I374-Y422 HydrophobicContact CG2-CD2 4.15Å; I374-Y422 HydrophobicContact CG2-CE1 3.69Å; I374-Y422 HydrophobicContact CG2-CE2 3.72Å; I374-Y422 HydrophobicContact CG2-CG 4.37Å; I374-Y422 VanDerWaalsContact CG2-CZ 3.46Å; F378-Y422 HydrophobicContact CE2-CD2 4.44Å; F378-Y422 AromaticContact CE2-CE2 3.9Å; F378-Y422 HydrophobicContact CE2-CE2 3.9Å; L418-Y422 HydrophobicContact CD2-CE2 4.34Å; L418-Y422 PolarHBondContact O-N 3.49Å; L418-Y422 WeakPolarHBondContact O-CD2 3.48Å; L418-Y422 VanDerWaalsContact O-CD2 3.25Å; L418-Y422 HydrophobicContact CG-CD2 4.04Å; L418-Y422 HydrophobicContact CD1-CE2 3.75Å; L418-Y422 HydrophobicContact CD1-CD2 4.17Å; L418-Y422 HydrophobicContact CG-CE2 3.86Å; Y422-Q426 VanDerWaalsContact O-CB 3.31Å; Y422-Q426 WeakPolarHBondContact O-CB 3.26Å; Y422-Q426 PolarHBondContact O-N 2.77Å
423Q96.9Very high89.5Confident56 Ų5652.7 Ų52.726%0.26229%0.287SS..Hα-helixtrans-68.1-42.6177.3-173.260.655.900111.6Q375 V419 S420 E421 Q426 D427Q375-Q423 VanDerWaalsContact NE2-OE1 3.08Å; V419-Q423 WeakPolarHBondContact O-CB 3.43Å; V419-Q423 PolarHBondContact O-N 3.41Å; S420-Q423 WeakPolarHBondContact O-CB 3.39Å; S420-Q423 PolarHBondContact O-N 2.87Å; E421-Q423 PolarHBondContact O-N 3.1Å; Q423-Q426 PolarHBondContact O-N 2.78Å; Q423-Q426 WeakPolarHBondContact O-CB 3.21Å; Q423-D427 VanDerWaalsContact NE2-CG 3.3Å; Q423-D427 PolarHBondContact NE2-OD1 3.32Å; Q423-D427 PolarHBondContact NE2-OD2 3.02Å; Q423-D427 PolarHBondContact O-N 3Å; Q423-D427 VanDerWaalsContact O-N 3.15Å
424Q96.1Very high87.5Confident91 Ų9152.3 Ų52.343%0.42529%0.292SS..Hα-helixtrans-58-51.4175.3178.5179.2-7.300111S420 E421 Q426 D427 A428S420-Q424 PolarHBondContact O-N 3.36Å; E421-Q424 WeakPolarHBondContact O-CB 3.38Å; E421-Q424 PolarHBondContact O-N 3.45Å; E421-Q424 VanDerWaalsContact O-N 3.15Å; Q424-Q426 VanDerWaalsContact C-N 3.26Å; Q424-Q426 PolarHBondContact O-N 3.28Å; Q424-D427 PolarHBondContact O-N 3.25Å; Q424-D427 VanDerWaalsContact O-N 3.15Å; Q424-A428 PolarHBondContact O-N 3.1Å; Q424-A428 WeakPolarHBondContact O-CB 3.48Å
425Y94.6Very high85.3Confident22 Ų2258.2 Ų58.29%0.08632%0.319CS..Hα-helixtrans-69.4-22.2179.5-70.2-62.8000113.9F260 L263 W344 E421F260-Y425 HydrophobicContact CD1-CE1 4.3Å; F260-Y425 AromaticContact CD1-CZ 3.84Å; F260-Y425 WeakPolarHBondContact CD1-OH 3.45Å; F260-Y425 HydrophobicContact CD2-CD1 4.08Å; F260-Y425 HydrophobicContact CD2-CD2 4.23Å; F260-Y425 AromaticContact CD2-CE1 3.78Å; F260-Y425 HydrophobicContact CD2-CE1 3.78Å; F260-Y425 AromaticContact CD2-CE2 3.92Å; F260-Y425 HydrophobicContact CD2-CE2 3.92Å; F260-Y425 HydrophobicContact CD2-CG 4.3Å; F260-Y425 AromaticContact CD2-CZ 3.69Å; F260-Y425 AromaticContact CE1-CE1 3.79Å; F260-Y425 HydrophobicContact CE1-CE1 3.79Å; F260-Y425 AromaticContact CE1-CZ 3.74Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.41Å; F260-Y425 AromaticContact CE2-CD1 3.48Å; F260-Y425 HydrophobicContact CE2-CD1 3.48Å; F260-Y425 VanDerWaalsContact CE2-CD1 3.48Å; F260-Y425 HydrophobicContact CE2-CD2 4.45Å; F260-Y425 AromaticContact CE2-CE1 3.19Å; F260-Y425 HydrophobicContact CE2-CE1 3.19Å; F260-Y425 HydrophobicContact CE2-CE2 4.21Å; F260-Y425 HydrophobicContact CE2-CG 4.12Å; F260-Y425 AromaticContact CE2-CZ 3.59Å; F260-Y425 HydrophobicContact CG-CE1 4.3Å; F260-Y425 HydrophobicContact CG-CE2 4.09Å; F260-Y425 AromaticContact CG-CZ 3.82Å; F260-Y425 AromaticContact CZ-CD1 3.93Å; F260-Y425 HydrophobicContact CZ-CD1 3.93Å; F260-Y425 AromaticContact CZ-CE1 3.21Å; F260-Y425 HydrophobicContact CZ-CE1 3.21Å; F260-Y425 AromaticContact CZ-CZ 3.63Å; L263-Y425 HydrophobicContact CD1-CD2 4.34Å; L263-Y425 HydrophobicContact CD1-CE2 4.26Å; L263-Y425 HydrophobicContact CD2-CD2 3.35Å; L263-Y425 HydrophobicContact CD2-CE2 3.89Å; L263-Y425 HydrophobicContact CD2-CG 3.97Å; L263-Y425 HydrophobicContact CG-CD2 4.45Å; W344-Y425 HydrophobicContact CH2-CD1 4.22Å; W344-Y425 HydrophobicContact CZ2-CD1 4.25Å; W344-Y425 WeakPolarHBondContact CZ2-O 3.49Å; W344-Y425 PolarHBondContact NE1-O 3.08Å; E421-Y425 WeakPolarHBondContact O-CD2 3.12Å; E421-Y425 PolarHBondContact O-N 3.33Å
426Q94.2Very high83.2Confident37 Ų3760 Ų6017%0.17333%0.327CS..Hα-helixtrans-68.7-39.4171.5-174-179.9-73.800112.1G308 R309 T372 Y422 Q423 Q424G308-Q426 VanDerWaalsContact CA-OE1 3.25Å; R309-Q426 HydrophobicContact CG-CG 4.05Å; T372-Q426 HydrophobicContact CG2-CB 3.85Å; T372-Q426 HydrophobicContact CG2-CG 4.46Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.38Å; T372-Q426 PolarHBondContact OG1-OE1 3.01Å; Y422-Q426 VanDerWaalsContact O-CB 3.31Å; Y422-Q426 WeakPolarHBondContact O-CB 3.26Å; Y422-Q426 PolarHBondContact O-N 2.77Å; Q423-Q426 PolarHBondContact O-N 2.78Å; Q423-Q426 WeakPolarHBondContact O-CB 3.21Å; Q424-Q426 VanDerWaalsContact C-N 3.26Å; Q424-Q426 PolarHBondContact O-N 3.28Å
427D92.1Very high81Confident101 Ų10163 Ų6354%0.5434%0.339SS..Hα-helixtrans-90.5-15.8-175.4-62.3-25.4000112.2Q423 Q424Q423-D427 VanDerWaalsContact NE2-CG 3.3Å; Q423-D427 PolarHBondContact NE2-OD1 3.32Å; Q423-D427 PolarHBondContact NE2-OD2 3.02Å; Q423-D427 PolarHBondContact O-N 3Å; Q423-D427 VanDerWaalsContact O-N 3.15Å; Q424-D427 PolarHBondContact O-N 3.25Å; Q424-D427 VanDerWaalsContact O-N 3.15Å
428A88.1Confident78.6Confident17 Ų1765.8 Ų65.814%0.1435%0.35CS..  trans-56.4138.1177.800000112.7W344 Q424 E432W344-A428 VanDerWaalsContact CD1-O 3.31Å; W344-A428 PolarHBondContact NE1-O 2.79Å; Q424-A428 PolarHBondContact O-N 3.1Å; Q424-A428 WeakPolarHBondContact O-CB 3.48Å; A428-E432 WeakPolarHBondContact CA-OE2 3.47Å
429T81.1Confident76.2Confident65 Ų6571.8 Ų71.840%0.39938%0.378SS..  trans-108.4161.5176.964.20000111.5E431 E432T429-E431 PolarHBondContact O-N 2.71Å; T429-E432 PolarHBondContact N-OE2 2.69Å; T429-E432 PolarHBondContact O-N 2.95Å; T429-E432 PolarHBondContact OG1-OE2 3.48Å
430A74Confident73.9Confident62 Ų6274.9 Ų74.951%0.51239%0.394SS..THydrogen-bonded Turntrans-62.7-13.7179.600000114.3W344W344-A430 HydrophobicContact CB-CB 4.35Å
431E70.7Confident71.4Confident180 Ų18077.5 Ų77.584%0.84140%0.402SS*.THydrogen-bonded Turntrans-82.8-23.8175.6-64.7-177.4178.500112.4T429T429-E431 PolarHBondContact O-N 2.71Å
432E61.5Low68.7Low83 Ų8383.5 Ų83.539%0.38843%0.43SS..THydrogen-bonded Turntrans-91.1-21.4-174.9-65.6163.9155.600112.9A428 T429 G434 E435 F436A428-E432 WeakPolarHBondContact CA-OE2 3.47Å; T429-E432 PolarHBondContact N-OE2 2.69Å; T429-E432 PolarHBondContact O-N 2.95Å; T429-E432 PolarHBondContact OG1-OE2 3.48Å; E432-G434 VanDerWaalsContact C-N 3.3Å; E432-G434 PolarHBondContact O-N 2.81Å; E432-E435 PolarHBondContact O-N 3.41Å; E432-E435 VanDerWaalsContact O-N 3.09Å; E432-F436 HydrophobicContact CB-CD2 4.42Å; E432-F436 PolarHBondContact O-N 3.32Å; E432-F436 HydrophobicContact CB-CE2 3.74Å; E432-F436 WeakPolarHBondContact O-CD2 3.35Å
433E52.4Low65.8Low48 Ų4892.3 Ų92.322%0.22447%0.471CS..Hα-helixtrans-62.5-32.4-178.1-155.4-174.4-159.700113.8W344 E435 F436 E437W344-E433 HydrophobicContact CE3-CG 4.5Å; E433-E435 PolarHBondContact O-N 2.89Å; E433-E435 VanDerWaalsContact O-N 3.16Å; E433-F436 PolarHBondContact O-N 3.34Å; E433-F436 VanDerWaalsContact O-N 3.09Å; E433-E437 PolarHBondContact O-N 2.55Å; E433-E437 VanDerWaalsContact O-N 3.13Å
434G55.2Low63Low50 Ų5096.5 Ų96.552%0.51552%0.515SS..Hα-helixtrans-62-20.8176.100000113.8E432E432-G434 VanDerWaalsContact C-N 3.3Å; E432-G434 PolarHBondContact O-N 2.81Å
435E51.6Low61.4Low139 Ų13996.8 Ų96.865%0.6552%0.52SS*.Hα-helixtrans-87.8-34174.1-62.3-175.6169.100111.4E432 E433 E438 E439E432-E435 PolarHBondContact O-N 3.41Å; E432-E435 VanDerWaalsContact O-N 3.09Å; E433-E435 PolarHBondContact O-N 2.89Å; E433-E435 VanDerWaalsContact O-N 3.16Å; E435-E438 PolarHBondContact O-N 2.79Å; E435-E439 PolarHBondContact O-N 3.41Å
436F54.4Low59.6Low39 Ų39100.7 Ų100.717%0.17154%0.543CS..Hα-helixtrans-74.1-34.7-178.8-63-58.7000114E432 E433 E438 E439 D440E432-F436 HydrophobicContact CB-CD2 4.42Å; E432-F436 PolarHBondContact O-N 3.32Å; E432-F436 HydrophobicContact CB-CE2 3.74Å; E432-F436 WeakPolarHBondContact O-CD2 3.35Å; E433-F436 PolarHBondContact O-N 3.34Å; E433-F436 VanDerWaalsContact O-N 3.09Å; F436-E438 PolarHBondContact O-N 3.12Å; F436-E439 PolarHBondContact O-N 2.89Å; F436-D440 PolarHBondContact O-N 3.25Å
437E50.8Low57.7Low127 Ų127104.2 Ų104.259%0.59356%0.563SS**Hα-helixtrans-64.8-23.7172.9-73.4-168.7167.500112.6E433 N441E433-E437 PolarHBondContact O-N 2.55Å; E433-E437 VanDerWaalsContact O-N 3.13Å; E437-N441 PolarHBondContact O-ND2 3.11Å
438E47.1Very low55.7Low138 Ų138104.4 Ų104.465%0.64556%0.564SS**Hα-helixtrans-77.8-38.9175-68.9-170.5169.200111.5E435 F436 E442E435-E438 PolarHBondContact O-N 2.79Å; F436-E438 PolarHBondContact O-N 3.12Å; E438-E442 WeakPolarHBondContact O-CG 3.48Å; E438-E442 PolarHBondContact O-N 2.98Å
439E48.1Very low53.6Low126 Ų126109.9 Ų109.959%0.58959%0.591SS**Hα-helixtrans-67.2-45.9178.8-69.8-173.4163.900112.9E435 F436 N441 E442E435-E439 PolarHBondContact O-N 3.41Å; F436-E439 PolarHBondContact O-N 2.89Å; E439-N441 VanDerWaalsContact C-N 3.31Å; E439-N441 PolarHBondContact O-N 3.35Å; E439-E442 PolarHBondContact O-N 3.29Å; E439-E442 VanDerWaalsContact O-N 3.14Å
440D50.3Low51.8Low80 Ų80112.9 Ų112.943%0.42860%0.604SS.*Hα-helixtrans-68.8-26.6-178.8-82.3-13.2000113.2F436F436-D440 PolarHBondContact O-N 3.25Å
441N45.8Very low50.2Low124 Ų124116.5 Ų116.566%0.66361%0.61SS**Hα-helixtrans-80.1-16.1174.9-80-48.9000113.1E437 E439E437-N441 PolarHBondContact O-ND2 3.11Å; E439-N441 VanDerWaalsContact C-N 3.31Å; E439-N441 PolarHBondContact O-N 3.35Å
442E39.1Very low48.6Very low169 Ų169111.6 Ų111.679%0.7959%0.592SS**Hα-helixtrans-85.4-19.7175.7-75.5-169.9173.800113E438 E439E438-E442 WeakPolarHBondContact O-CG 3.48Å; E438-E442 PolarHBondContact O-N 2.98Å; E439-E442 PolarHBondContact O-N 3.29Å; E439-E442 VanDerWaalsContact O-N 3.14Å
443E38.4Very low47.6Very low185 Ų185114 Ų11486%0.86461%0.61SS**  trans-96.5-0.8179.9-65.7-160.115900115.5
444A37.7Very low47.1Very low143 Ų143120 Ų120100%1.18265%0.645SS**  trans-98.7017400000113

Retrieved 444 of 444 residues in 294.2 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).