A0A077ZJ06_TRITR 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 A0A077ZJ06, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 461 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
1M59Low92Very high135 Ų13533.8 Ų33.867%0.66515%0.153SC*.  0169.80-89.8178-94.100108.3E3 N48 D128 C129M1-E3 VanDerWaalsContact C-OE1 3.29Å; M1-E3 WeakPolarHBondContact CB-OE1 3.28Å; M1-N48 VanDerWaalsContact CB-ND2 3.31Å; M1-N48 WeakPolarHBondContact CB-ND2 3.48Å; M1-N48 WeakPolarHBondContact CG-ND2 3.42Å; M1-D128 HydrophobicContact CB-CB 4.18Å; M1-D128 WeakPolarHBondContact CE-OD2 3.36Å; M1-C129 WeakPolarHBondContact O-CB 3.29Å; M1-C129 PolarHBondContact O-N 3.45Å; M1-C129 VanDerWaalsContact O-O 3.11Å
2R83.9Confident92.2Very high109 Ų10933.5 Ų33.541%0.41116%0.157SC..  trans-122.982.5-163.1-71-177174.8-165.4-16.7111.3V49 C129 Q131 A247 D248R2-V49 WeakPolarHBondContact O-CG2 3.29Å; R2-C129 WeakPolarHBondContact CA-O 3.36Å; R2-Q131 HydrophobicContact CB-CG 3.72Å; R2-Q131 HydrophobicContact CG-CG 4.36Å; R2-Q131 PolarHBondContact O-NE2 3.46Å; R2-A247 PolarHBondContact NH1-O 2.9Å; R2-D248 IonicContact CZ-OD2 2.66Å; R2-D248 VanDerWaalsContact NH1-CB 3.28Å; R2-D248 IonicContact NH1-OD2 2.73Å; R2-D248 PolarHBondContact NH1-OD2 3.18Å; R2-D248 IonicContact NH2-OD2 2.79Å; R2-D248 PolarHBondContact NH2-OD2 3.39Å
3E94.3Very high92.5Very high7 Ų730.9 Ų30.93%0.03315%0.145CC..EExtended strand (participates in β ladder)trans-90.5151.9-171.1-56.477.3-161.700113.3M1 C127 D128 C129 Q131M1-E3 VanDerWaalsContact C-OE1 3.29Å; M1-E3 WeakPolarHBondContact CB-OE1 3.28Å; E3-C127 HydrophobicContact CB-CB 3.98Å; E3-C127 VanDerWaalsContact CB-SG 3.53Å; E3-C127 HydrophobicContact CG-CB 4.11Å; E3-D128 PolarHBondContact OE2-N 2.95Å; E3-C129 PolarHBondContact N-O 2.66Å; E3-C129 PolarHBondContact OE2-N 2.92Å; E3-C129 VanDerWaalsContact OE2-O 3.06Å; E3-Q131 WeakPolarHBondContact O-CB 3.19Å; E3-Q131 PolarHBondContact O-N 3.45Å
4I96.2Very high92.8Very high0 Ų028.7 Ų28.70%014%0.135CC..EExtended strand (participates in β ladder)trans-125.6125.2175.1-64.9170.4000108.8V49 Y50 R62 Q131 Q134 L239 L249I4-V49 HydrophobicContact CD1-CG1 3.78Å; I4-V49 HydrophobicContact CG1-CG1 4.08Å; I4-V49 PolarHBondContact N-O 2.96Å; I4-Y50 HydrophobicContact CB-CE1 4.42Å; I4-Y50 HydrophobicContact CD1-CE2 4.22Å; I4-Y50 HydrophobicContact CG2-CE1 4.18Å; I4-R62 VanDerWaalsContact O-CD 3.29Å; I4-R62 WeakPolarHBondContact O-CD 3.19Å; I4-Q131 HydrophobicContact CG1-CB 4.13Å; I4-Q134 HydrophobicContact CG2-CB 3.95Å; I4-L239 HydrophobicContact CD1-CB 4.47Å; I4-L239 HydrophobicContact CD1-CD1 3.67Å; I4-L249 HydrophobicContact CD1-CD1 3.78Å; I4-L249 HydrophobicContact CD1-CD2 4.48Å; I4-L249 HydrophobicContact CD1-CG 4.01Å; I4-L249 HydrophobicContact CG1-CD1 3.93Å
5V97.4Very high92.9Very high0 Ų031.3 Ų31.30%015%0.147CC..EExtended strand (participates in β ladder)trans-87.4118.7172.8175.70000108.7I7 R62 I64 E123 L130 G132 F133 Q134V5-I7 HydrophobicContact CG1-CG1 4.32Å; V5-R62 HydrophobicContact CG2-CG 4.04Å; V5-I64 HydrophobicContact CG1-CD1 3.91Å; V5-E123 HydrophobicContact CG1-CB 4.48Å; V5-E123 HydrophobicContact CG2-CB 4.19Å; V5-L130 HydrophobicContact CB-CD1 4.43Å; V5-L130 HydrophobicContact CG2-CD1 3.72Å; V5-G132 PolarHBondContact N-O 3.48Å; V5-G132 VanDerWaalsContact N-O 3.15Å; V5-F133 HydrophobicContact CB-CD1 3.71Å; V5-F133 HydrophobicContact CB-CE1 3.93Å; V5-F133 HydrophobicContact CG1-CD1 4Å; V5-F133 HydrophobicContact CG1-CE1 4.2Å; V5-F133 HydrophobicContact CG2-CE1 4.28Å; V5-F133 VanDerWaalsContact O-CA 3.32Å; V5-F133 WeakPolarHBondContact O-CA 3.45Å; V5-Q134 PolarHBondContact O-N 3.12Å
6H98.1Very high93Very high0 Ų029.7 Ų29.70%014%0.139CC..EExtended strand (participates in β ladder)trans-95.4134.5179.5-175.971.9000110.9Q8 W21 R62 A63 I64 Q134H6-Q8 PolarHBondContact CD2-NE2 3.02Å; H6-Q8 VanDerWaalsContact NE2-CG 3.33Å; H6-Q8 WeakPolarHBondContact NE2-CG 3.49Å; H6-Q8 PolarHBondContact NE2-NE2 3.39Å; H6-W21 HydrophobicContact CB-CZ2 3.83Å; H6-W21 AromaticContact CD2-CE2 3.91Å; H6-W21 AromaticContact CD2-NE1 3.28Å; H6-W21 PolarHBondContact CD2-NE1 3.27Å; H6-W21 VanDerWaalsContact CD2-NE1 3.28Å; H6-W21 AromaticContact NE2-NE1 3.78Å; H6-R62 PolarHBondContact N-O 3.06Å; H6-A63 CarbonylContact O-C 3.56Å; H6-A63 VanDerWaalsContact O-CA 3.27Å; H6-A63 WeakPolarHBondContact O-CA 3.38Å; H6-I64 PolarHBondContact O-N 3.47Å; H6-Q134 CarbonylContact C-O 3.56Å; H6-Q134 WeakPolarHBondContact CA-O 3.42Å; H6-Q134 PolarHBondContact ND1-O 3.21Å
7I98.3Very high93.2Very high3 Ų327.9 Ų27.92%0.01513%0.131CC..EExtended strand (participates in β ladder)trans-125.8139-179-52.5176.5000108.8V5 I64 V66 V120 F133 Q134 L135 T136 L151 I155V5-I7 HydrophobicContact CG1-CG1 4.32Å; I7-I64 WeakPolarHBondContact CA-O 3.19Å; I7-I64 HydrophobicContact CG1-CB 4.48Å; I7-V66 HydrophobicContact CG2-CG2 4.38Å; I7-V120 HydrophobicContact CD1-CG2 3.99Å; I7-F133 HydrophobicContact CD1-CD1 4.26Å; I7-Q134 PolarHBondContact N-O 3.08Å; I7-L135 HydrophobicContact CB-CD1 3.81Å; I7-L135 HydrophobicContact CG2-CD1 3.64Å; I7-L135 CarbonylContact O-C 3.59Å; I7-L135 WeakPolarHBondContact O-CA 3.48Å; I7-T136 PolarHBondContact O-N 3.37Å; I7-T136 PolarHBondContact O-OG1 3Å; I7-L151 HydrophobicContact CD1-CD2 4.17Å; I7-L151 HydrophobicContact CG2-CD2 3.68Å; I7-I155 HydrophobicContact CD1-CD1 3.45Å; I7-I155 VanDerWaalsContact CD1-CD1 3.45Å
8Q97.8Very high93.3Very high0 Ų027.3 Ų27.30%013%0.132CC..EExtended strand (participates in β ladder)trans-126.3121.7178.8-48.9-176.54.300108.5H6 N14 G17 I64 V66 T136H6-Q8 PolarHBondContact CD2-NE2 3.02Å; H6-Q8 VanDerWaalsContact NE2-CG 3.33Å; H6-Q8 WeakPolarHBondContact NE2-CG 3.49Å; H6-Q8 PolarHBondContact NE2-NE2 3.39Å; Q8-N14 PolarHBondContact OE1-O 3.17Å; Q8-G17 VanDerWaalsContact CD-CA 3.44Å; Q8-G17 VanDerWaalsContact NE2-C 3.25Å; Q8-G17 VanDerWaalsContact NE2-CA 3.26Å; Q8-G17 PolarHBondContact NE2-O 3.45Å; Q8-I64 PolarHBondContact N-O 3.22Å; Q8-V66 WeakPolarHBondContact O-CA 3.44Å; Q8-V66 PolarHBondContact O-N 3.13Å; Q8-T136 WeakPolarHBondContact CG-OG1 3.4Å
9A97.3Very high93.4Very high1 Ų129.3 Ų29.31%0.00814%0.14CC..EExtended strand (participates in β ladder)trans-121.5126.7-176.200000112.2V66 L135 T136 H137 G144A9-V66 WeakPolarHBondContact CA-O 3.47Å; A9-L135 HydrophobicContact CB-CD1 3.99Å; A9-T136 PolarHBondContact N-O 2.91Å; A9-H137 HydrophobicContact CB-CB 4.31Å; A9-G144 WeakPolarHBondContact O-CA 3.43Å
10G96Very high93.5Very high1 Ų127.9 Ų27.91%0.0113%0.133CC..Hα-helixtrans74.2175.9177.400000114.2C12 G13 N14 V66 D67G10-C12 PolarHBondContact O-N 3.21Å; G10-G13 PolarHBondContact O-N 3.14Å; G10-N14 WeakPolarHBondContact O-CB 3.16Å; G10-N14 PolarHBondContact O-N 2.74Å; G10-N14 PolarHBondContact O-ND2 2.93Å; G10-V66 PolarHBondContact N-O 3.29Å; G10-D67 VanDerWaalsContact C-OD2 3.31Å
11Q94Very high93.6Very high116 Ų11626.5 Ų26.554%0.54213%0.126SC..Hα-helixtrans-54.3-50.4-175.1-173.5-176.91.600113.3Q15 D67Q11-Q15 WeakPolarHBondContact O-CG 3.37Å; Q11-Q15 PolarHBondContact O-N 3.43Å; Q11-Q15 VanDerWaalsContact O-N 3.1Å; Q11-D67 PolarHBondContact N-OD2 3.41Å; Q11-D67 VanDerWaalsContact N-OD2 3.13Å
12C93.9Very high95.3Very high30 Ų3022 Ų2220%0.20310%0.103CC..Hα-helixtrans-66.2-43.6-179.1-1740000112.1G10 Q15 I16G10-C12 PolarHBondContact O-N 3.21Å; C12-Q15 PolarHBondContact O-N 3.16Å; C12-I16 PolarHBondContact O-N 3.46Å
13G95.9Very high95.8Very high0 Ų018.3 Ų18.30%09%0.093CC..Hα-helixtrans-59.8-47.9178.700000111.8G10 Q15 I16 G17 T136G10-G13 PolarHBondContact O-N 3.14Å; G13-Q15 PolarHBondContact O-N 3.43Å; G13-I16 PolarHBondContact O-N 3.41Å; G13-G17 WeakPolarHBondContact O-CA 2.92Å; G13-G17 PolarHBondContact O-N 3.23Å; G13-T136 VanDerWaalsContact CA-O 3.28Å; G13-T136 WeakPolarHBondContact CA-O 3.28Å; G13-T136 PolarHBondContact O-OG1 2.92Å
14N96.5Very high95.8Very high0 Ų018 Ų180%09%0.092CC..Hα-helixtrans-65.1-37.5178.1-76.1-72000113.1Q8 G10 A18 V66 T72 V76Q8-N14 PolarHBondContact OE1-O 3.17Å; G10-N14 WeakPolarHBondContact O-CB 3.16Å; G10-N14 PolarHBondContact O-N 2.74Å; G10-N14 PolarHBondContact O-ND2 2.93Å; N14-A18 WeakPolarHBondContact O-CB 3.48Å; N14-A18 PolarHBondContact O-N 3.35Å; N14-V66 PolarHBondContact ND2-O 2.93Å; N14-T72 HydrophobicContact CB-CG2 3.54Å; N14-V76 HydrophobicContact CB-CG2 4Å
15Q94.5Very high95.7Very high68 Ų6818 Ų1832%0.3189%0.092SC..Hα-helixtrans-68-45.1177.6-74.1179.824.300112.7Q11 C12 G13 K19Q11-Q15 WeakPolarHBondContact O-CG 3.37Å; Q11-Q15 PolarHBondContact O-N 3.43Å; Q11-Q15 VanDerWaalsContact O-N 3.1Å; C12-Q15 PolarHBondContact O-N 3.16Å; G13-Q15 PolarHBondContact O-N 3.43Å; Q15-K19 PolarHBondContact O-N 2.91Å
16I94.8Very high95.5Very high5 Ų520.6 Ų20.63%0.02611%0.106CC..Hα-helixtrans-67.8-45177.5-74.4168.8000110.3C12 G13 K19 F20 T136 V169 N225 V228 M232C12-I16 PolarHBondContact O-N 3.46Å; G13-I16 PolarHBondContact O-N 3.41Å; I16-K19 CarbonylContact O-C 3.46Å; I16-K19 PolarHBondContact O-N 2.9Å; I16-F20 PolarHBondContact O-N 2.79Å; I16-T136 HydrophobicContact CG2-CG2 4.46Å; I16-V169 HydrophobicContact CD1-CG2 3.35Å; I16-N225 WeakPolarHBondContact CG1-OD1 3.43Å; I16-V228 HydrophobicContact CB-CG1 4.44Å; I16-V228 HydrophobicContact CD1-CG1 4.15Å; I16-V228 HydrophobicContact CD1-CG2 4.47Å; I16-V228 HydrophobicContact CG1-CG1 4.23Å; I16-V228 HydrophobicContact CG2-CB 4.36Å; I16-V228 HydrophobicContact CG2-CG1 3.4Å; I16-V228 VanDerWaalsContact CG2-CG1 3.4Å; I16-M232 HydrophobicContact CG2-SD 3.48Å; I16-M232 WeakPolarHBondContact CG2-SD 3.47Å
17G95.9Very high95.2Very high0 Ų021 Ų210%011%0.108CC..Hα-helixtrans-62.7-42178.700000112.4Q8 G13 K19 F20 W21Q8-G17 VanDerWaalsContact CD-CA 3.44Å; Q8-G17 VanDerWaalsContact NE2-C 3.25Å; Q8-G17 VanDerWaalsContact NE2-CA 3.26Å; Q8-G17 PolarHBondContact NE2-O 3.45Å; G13-G17 WeakPolarHBondContact O-CA 2.92Å; G13-G17 PolarHBondContact O-N 3.23Å; G17-K19 VanDerWaalsContact C-N 3.34Å; G17-K19 PolarHBondContact O-N 3.29Å; G17-F20 WeakPolarHBondContact O-CB 3.46Å; G17-F20 PolarHBondContact O-N 2.92Å; G17-W21 PolarHBondContact O-N 3.11Å
18A95.7Very high94.9Very high17 Ų1721 Ų2114%0.1411%0.107CC..Hα-helixtrans-58.2-45.4171.800000111.5N14 F20 W21 E22 V76N14-A18 WeakPolarHBondContact O-CB 3.48Å; N14-A18 PolarHBondContact O-N 3.35Å; A18-F20 PolarHBondContact O-N 2.99Å; A18-W21 PolarHBondContact O-N 3.28Å; A18-E22 WeakPolarHBondContact O-CG 3.16Å; A18-E22 PolarHBondContact O-N 2.99Å; A18-V76 HydrophobicContact CB-CG1 4.48Å
19K94.3Very high94.7Very high65 Ų6521.6 Ų21.628%0.28311%0.114SC..Hα-helixtrans-65-36175.1-73.8-58.9179.8-151.40113.6Q15 I16 G17 E22 V23 N225Q15-K19 PolarHBondContact O-N 2.91Å; I16-K19 CarbonylContact O-C 3.46Å; I16-K19 PolarHBondContact O-N 2.9Å; G17-K19 VanDerWaalsContact C-N 3.34Å; G17-K19 PolarHBondContact O-N 3.29Å; K19-E22 WeakPolarHBondContact CD-OE2 3.49Å; K19-E22 IonicContact NZ-OE1 3.27Å; K19-E22 PolarHBondContact NZ-OE1 3.01Å; K19-E22 IonicContact NZ-OE2 2.78Å; K19-E22 PolarHBondContact NZ-OE2 3.43Å; K19-E22 PolarHBondContact O-N 3.4Å; K19-V23 WeakPolarHBondContact O-CG2 3.43Å; K19-V23 PolarHBondContact O-N 3.1Å; K19-V23 VanDerWaalsContact O-N 3.08Å; K19-N225 HydrophobicContact CG-CB 4.09Å
20F95.7Very high94.6Very high0 Ų021.8 Ų21.80%012%0.115CC..Hα-helixtrans-59.3-50.1172.9167.4-107.2000111I16 G17 A18 E22 V23 I24 Y50 M232 T236I16-F20 PolarHBondContact O-N 2.79Å; G17-F20 WeakPolarHBondContact O-CB 3.46Å; G17-F20 PolarHBondContact O-N 2.92Å; A18-F20 PolarHBondContact O-N 2.99Å; F20-E22 PolarHBondContact O-N 3.41Å; F20-V23 PolarHBondContact O-N 2.72Å; F20-V23 VanDerWaalsContact O-N 3.16Å; F20-I24 HydrophobicContact CD1-CD1 4.37Å; F20-I24 HydrophobicContact CD2-CG2 3.94Å; F20-I24 HydrophobicContact CE1-CD1 3.65Å; F20-I24 HydrophobicContact CE1-CG1 4.26Å; F20-I24 HydrophobicContact CE2-CD1 4.37Å; F20-I24 HydrophobicContact CE2-CG2 3.5Å; F20-I24 VanDerWaalsContact CE2-CG2 3.5Å; F20-I24 HydrophobicContact CZ-CD1 3.66Å; F20-I24 HydrophobicContact CZ-CG1 4.24Å; F20-I24 HydrophobicContact CZ-CG2 3.92Å; F20-I24 WeakPolarHBondContact O-CG1 3.31Å; F20-I24 PolarHBondContact O-N 2.97Å; F20-Y50 HydrophobicContact CE1-CD1 4.25Å; F20-Y50 AromaticContact CE1-CE1 3.96Å; F20-Y50 HydrophobicContact CE1-CE1 3.96Å; F20-Y50 HydrophobicContact CZ-CD1 4.34Å; F20-Y50 AromaticContact CZ-CE1 3.83Å; F20-Y50 HydrophobicContact CZ-CE1 3.83Å; F20-M232 HydrophobicContact CB-CE 3.76Å; F20-M232 HydrophobicContact CB-SD 4.03Å; F20-M232 HydrophobicContact CD1-CE 4.09Å; F20-M232 HydrophobicContact CD2-CB 3.6Å; F20-M232 HydrophobicContact CD2-CE 3.75Å; F20-M232 HydrophobicContact CD2-SD 4.37Å; F20-M232 HydrophobicContact CE2-CB 4.09Å; F20-M232 HydrophobicContact CE2-CE 4.35Å; F20-M232 HydrophobicContact CG-CB 4.47Å; F20-M232 HydrophobicContact CG-CE 3.59Å; F20-M232 HydrophobicContact CG-SD 4.36Å; F20-T236 HydrophobicContact CE2-CG2 4.29Å; F20-T236 HydrophobicContact CZ-CG2 4.39Å
21W96.7Very high94.6Very high0 Ų023.7 Ų23.70%013%0.125CC..Hα-helixtrans-61.7-41.9177.5-74.2108000112.7H6 G17 A18 V23 I24 S25 Y50 Y51 P61 A63 F85H6-W21 HydrophobicContact CB-CZ2 3.83Å; H6-W21 AromaticContact CD2-CE2 3.91Å; H6-W21 AromaticContact CD2-NE1 3.28Å; H6-W21 PolarHBondContact CD2-NE1 3.27Å; H6-W21 VanDerWaalsContact CD2-NE1 3.28Å; H6-W21 AromaticContact NE2-NE1 3.78Å; G17-W21 PolarHBondContact O-N 3.11Å; A18-W21 PolarHBondContact O-N 3.28Å; W21-V23 VanDerWaalsContact C-N 3.3Å; W21-V23 PolarHBondContact O-N 3.44Å; W21-I24 HydrophobicContact CD2-CD1 4.27Å; W21-I24 HydrophobicContact CE3-CD1 3.56Å; W21-I24 HydrophobicContact CE3-CG1 4.01Å; W21-I24 HydrophobicContact CH2-CD1 4.31Å; W21-I24 HydrophobicContact CZ3-CD1 3.59Å; W21-I24 HydrophobicContact CZ3-CG1 4.49Å; W21-I24 PolarHBondContact O-N 3.45Å; W21-S25 WeakPolarHBondContact O-CB 3.41Å; W21-S25 PolarHBondContact O-N 2.94Å; W21-S25 PolarHBondContact O-OG 3.06Å; W21-Y50 AromaticContact CH2-CD1 3.78Å; W21-Y50 HydrophobicContact CH2-CD1 3.78Å; W21-Y50 HydrophobicContact CH2-CG 4.27Å; W21-Y50 VanDerWaalsContact CH2-O 3.25Å; W21-Y50 WeakPolarHBondContact CH2-O 3.49Å; W21-Y50 HydrophobicContact CZ2-CD1 4.29Å; W21-Y50 HydrophobicContact CZ3-CD1 4.45Å; W21-Y51 HydrophobicContact CE3-CE1 4.11Å; W21-Y51 AromaticContact CE3-CZ 3.92Å; W21-Y51 HydrophobicContact CZ3-CD1 4.36Å; W21-Y51 AromaticContact CZ3-CE1 3.88Å; W21-Y51 HydrophobicContact CZ3-CE1 3.88Å; W21-Y51 HydrophobicContact CZ3-CE2 4.08Å; W21-Y51 AromaticContact CZ3-CZ 3.71Å; W21-P61 HydrophobicContact CD2-CB 3.87Å; W21-P61 HydrophobicContact CD2-CG 4.17Å; W21-P61 HydrophobicContact CE3-CB 3.65Å; W21-P61 HydrophobicContact CE3-CG 3.75Å; W21-P61 HydrophobicContact CH2-CB 3.64Å; W21-P61 HydrophobicContact CZ2-CB 3.85Å; W21-P61 HydrophobicContact CZ3-CB 3.52Å; W21-P61 HydrophobicContact CZ3-CG 3.96Å; W21-A63 HydrophobicContact CZ2-CB 3.68Å; W21-F85 HydrophobicContact CB-CE1 4.33Å; W21-F85 HydrophobicContact CB-CZ 3.86Å; W21-F85 AromaticContact CD1-CE1 3.42Å; W21-F85 VanDerWaalsContact CD1-CE1 3.42Å; W21-F85 AromaticContact CD1-CZ 3.45Å; W21-F85 VanDerWaalsContact CD1-CZ 3.45Å; W21-F85 HydrophobicContact CD2-CE1 4.16Å; W21-F85 AromaticContact CG-CE1 3.72Å; W21-F85 HydrophobicContact CG-CE1 3.72Å; W21-F85 AromaticContact CG-CZ 3.69Å; W21-F85 HydrophobicContact CG-CZ 3.69Å; W21-F85 AromaticContact NE1-CE1 3.71Å
22E94.4Very high94.6Very high39 Ų3920.4 Ų20.418%0.18211%0.113CC..Hα-helixtrans-53.5-48.6172.8-70.6178.4-153.300111.5A18 K19 F20 D26 P80 F81A18-E22 WeakPolarHBondContact O-CG 3.16Å; A18-E22 PolarHBondContact O-N 2.99Å; K19-E22 WeakPolarHBondContact CD-OE2 3.49Å; K19-E22 IonicContact NZ-OE1 3.27Å; K19-E22 PolarHBondContact NZ-OE1 3.01Å; K19-E22 IonicContact NZ-OE2 2.78Å; K19-E22 PolarHBondContact NZ-OE2 3.43Å; K19-E22 PolarHBondContact O-N 3.4Å; F20-E22 PolarHBondContact O-N 3.41Å; E22-D26 VanDerWaalsContact O-CB 3.25Å; E22-D26 WeakPolarHBondContact O-CB 3.49Å; E22-D26 PolarHBondContact O-N 3.5Å; E22-P80 HydrophobicContact CG-CG 3.93Å; E22-P80 WeakPolarHBondContact OE1-CD 3.22Å; E22-P80 WeakPolarHBondContact OE1-CG 3.45Å; E22-F81 HydrophobicContact CB-CD2 4.25Å; E22-F81 HydrophobicContact CG-CB 4.35Å; E22-F81 HydrophobicContact CG-CD2 3.73Å; E22-F81 HydrophobicContact CG-CE2 4.4Å; E22-F81 HydrophobicContact CG-CG 4.29Å
23V93.4Very high94.5Very high33 Ų3322.6 Ų22.620%0.213%0.126CC..Hα-helixtrans-68.3-47.1-177.4171.80000111.7K19 F20 W21 D26 E27K19-V23 WeakPolarHBondContact O-CG2 3.43Å; K19-V23 PolarHBondContact O-N 3.1Å; K19-V23 VanDerWaalsContact O-N 3.08Å; F20-V23 PolarHBondContact O-N 2.72Å; F20-V23 VanDerWaalsContact O-N 3.16Å; W21-V23 VanDerWaalsContact C-N 3.3Å; W21-V23 PolarHBondContact O-N 3.44Å; V23-D26 PolarHBondContact O-N 3.3Å; V23-E27 WeakPolarHBondContact O-CG 3.48Å; V23-E27 PolarHBondContact O-N 2.97Å
24I94.5Very high94.5Very high0 Ų022.7 Ų22.70%013%0.127CC..Hα-helixtrans-74-32.8-177.964156.6000112.3F20 W21 D26 E27 H28 Y50 Y51F20-I24 HydrophobicContact CD1-CD1 4.37Å; F20-I24 HydrophobicContact CD2-CG2 3.94Å; F20-I24 HydrophobicContact CE1-CD1 3.65Å; F20-I24 HydrophobicContact CE1-CG1 4.26Å; F20-I24 HydrophobicContact CE2-CD1 4.37Å; F20-I24 HydrophobicContact CE2-CG2 3.5Å; F20-I24 VanDerWaalsContact CE2-CG2 3.5Å; F20-I24 HydrophobicContact CZ-CD1 3.66Å; F20-I24 HydrophobicContact CZ-CG1 4.24Å; F20-I24 HydrophobicContact CZ-CG2 3.92Å; F20-I24 WeakPolarHBondContact O-CG1 3.31Å; F20-I24 PolarHBondContact O-N 2.97Å; W21-I24 HydrophobicContact CD2-CD1 4.27Å; W21-I24 HydrophobicContact CE3-CD1 3.56Å; W21-I24 HydrophobicContact CE3-CG1 4.01Å; W21-I24 HydrophobicContact CH2-CD1 4.31Å; W21-I24 HydrophobicContact CZ3-CD1 3.59Å; W21-I24 HydrophobicContact CZ3-CG1 4.49Å; W21-I24 PolarHBondContact O-N 3.45Å; I24-D26 VanDerWaalsContact C-N 3.3Å; I24-D26 PolarHBondContact O-N 2.95Å; I24-E27 PolarHBondContact O-N 2.78Å; I24-H28 WeakPolarHBondContact O-CB 3.28Å; I24-H28 PolarHBondContact O-CD2 2.92Å; I24-H28 PolarHBondContact O-N 3.39Å; I24-Y50 HydrophobicContact CD1-CD1 4.32Å; I24-Y50 HydrophobicContact CD1-CG 4.14Å; I24-Y51 HydrophobicContact CD1-CE2 4.28Å
25S94.8Very high94.4Very high0 Ų024.9 Ų24.90%014%0.14CC..Hα-helixtrans-59.8-45.8173.2-70.30000110.4W21 E27 H28 G29 I30 Y51 F81W21-S25 WeakPolarHBondContact O-CB 3.41Å; W21-S25 PolarHBondContact O-N 2.94Å; W21-S25 PolarHBondContact O-OG 3.06Å; S25-E27 PolarHBondContact O-N 3.47Å; S25-H28 CarbonylContact O-C 3.2Å; S25-H28 PolarHBondContact O-N 3.27Å; S25-G29 PolarHBondContact O-N 3.19Å; S25-I30 PolarHBondContact O-N 3.09Å; S25-Y51 WeakPolarHBondContact CA-OH 3.41Å; S25-Y51 WeakPolarHBondContact CB-OH 3.44Å; S25-Y51 PolarHBondContact N-OH 2.97Å; S25-Y51 PolarHBondContact OG-OH 3.06Å; S25-F81 VanDerWaalsContact CB-CE1 3.41Å
26D92.2Very high94.4Very high54 Ų5424.3 Ų24.329%0.28914%0.136SC..Hα-helixtrans-64.1-39.7177.5-172.131.3000112.8E22 V23 I24 H28 G29 R358E22-D26 VanDerWaalsContact O-CB 3.25Å; E22-D26 WeakPolarHBondContact O-CB 3.49Å; E22-D26 PolarHBondContact O-N 3.5Å; V23-D26 PolarHBondContact O-N 3.3Å; I24-D26 VanDerWaalsContact C-N 3.3Å; I24-D26 PolarHBondContact O-N 2.95Å; D26-H28 VanDerWaalsContact C-N 3.32Å; D26-H28 PolarHBondContact O-N 3.49Å; D26-G29 PolarHBondContact O-N 3.28Å; D26-R358 VanDerWaalsContact CG-CD 3.42Å; D26-R358 WeakPolarHBondContact OD1-CD 3.33Å; D26-R358 IonicContact OD1-CZ 3.45Å; D26-R358 IonicContact OD1-NE 3.5Å; D26-R358 IonicContact OD1-NH1 2.69Å; D26-R358 PolarHBondContact OD1-NH1 2.95Å; D26-R358 WeakPolarHBondContact OD2-CD 3.5Å; D26-R358 IonicContact OD2-CZ 3.8Å; D26-R358 IonicContact OD2-NE 2.9Å; D26-R358 IonicContact OD2-NH1 3.41Å; D26-R358 PolarHBondContact OD2-NH1 2.86Å
27E92.1Very high94.3Very high10 Ų1030.6 Ų30.65%0.04717%0.165CC..Hα-helixtrans-65.3-33173.1-73-174.6-172.500113.7V23 I24 S25 G29 Q43 S233 R240 F241 R317V23-E27 WeakPolarHBondContact O-CG 3.48Å; V23-E27 PolarHBondContact O-N 2.97Å; I24-E27 PolarHBondContact O-N 2.78Å; S25-E27 PolarHBondContact O-N 3.47Å; E27-G29 VanDerWaalsContact C-N 3.33Å; E27-Q43 PolarHBondContact O-NE2 3.22Å; E27-S233 PolarHBondContact OE1-OG 3.48Å; E27-S233 PolarHBondContact OE2-OG 2.64Å; E27-R240 IonicContact OE2-CZ 3.79Å; E27-R240 VanDerWaalsContact OE2-CZ 3.24Å; E27-R240 IonicContact OE2-NH1 2.71Å; E27-R240 PolarHBondContact OE2-NH1 3.2Å; E27-R240 IonicContact OE2-NH2 3.52Å; E27-R240 PolarHBondContact OE2-NH2 3.04Å; E27-F241 HydrophobicContact CB-CZ 4.2Å; E27-R317 IonicContact OE1-CZ 3.05Å; E27-R317 IonicContact OE1-NH1 3.21Å; E27-R317 PolarHBondContact OE1-NH1 3.25Å; E27-R317 IonicContact OE1-NH2 3.73Å; E27-R317 PolarHBondContact OE1-NH2 3.01Å; E27-R317 IonicContact OE2-CZ 3.17Å; E27-R317 IonicContact OE2-NH1 2.85Å; E27-R317 PolarHBondContact OE2-NH1 3.48Å; E27-R317 VanDerWaalsContact OE2-NH1 3.17Å; E27-R317 IonicContact OE2-NH2 3.41Å; E27-R317 PolarHBondContact OE2-NH2 3.23Å
28H93.3Very high93.9Very high1 Ų131.7 Ų31.71%0.00518%0.176CC..THydrogen-bonded Turntrans-87.41.6175-75.5-77000113.2I24 S25 D26 I30 Y36 Q43 I47 R240 F241I24-H28 WeakPolarHBondContact O-CB 3.28Å; I24-H28 PolarHBondContact O-CD2 2.92Å; I24-H28 PolarHBondContact O-N 3.39Å; S25-H28 CarbonylContact O-C 3.2Å; S25-H28 PolarHBondContact O-N 3.27Å; D26-H28 VanDerWaalsContact C-N 3.32Å; D26-H28 PolarHBondContact O-N 3.49Å; H28-I30 VanDerWaalsContact C-N 3.33Å; H28-I30 HydrophobicContact CB-CG1 3.97Å; H28-I30 PolarHBondContact O-N 3.33Å; H28-Y36 VanDerWaalsContact O-CD2 3.27Å; H28-Y36 WeakPolarHBondContact O-CD2 3.35Å; H28-Y36 VanDerWaalsContact O-CE2 3.23Å; H28-Y36 WeakPolarHBondContact O-CE2 3.24Å; H28-Q43 PolarHBondContact ND1-O 3.45Å; H28-I47 HydrophobicContact CB-CD1 4.44Å; H28-R240 PolarHBondContact NE2-NH1 3.5Å; H28-F241 AromaticContact CE1-CE1 3.72Å
29G93.4Very high93.6Very high14 Ų1438.2 Ų38.214%0.14421%0.209CC..THydrogen-bonded Turntrans67.628.6-179.600000114.1S25 D26 E27 H37 G38S25-G29 PolarHBondContact O-N 3.19Å; D26-G29 PolarHBondContact O-N 3.28Å; E27-G29 VanDerWaalsContact C-N 3.33Å; G29-H37 PolarHBondContact O-N 2.9Å; G29-G38 PolarHBondContact O-N 3.18Å
30I95.3Very high93.3Very high5 Ų536.8 Ų36.83%0.02621%0.207CC..BIsolated β-bridgetrans-97.3127.3-179.6-53-63.3000109.5S25 H28 Y36 I47 Y59 F81 L84S25-I30 PolarHBondContact O-N 3.09Å; H28-I30 VanDerWaalsContact C-N 3.33Å; H28-I30 HydrophobicContact CB-CG1 3.97Å; H28-I30 PolarHBondContact O-N 3.33Å; I30-Y36 HydrophobicContact CD1-CD2 4Å; I30-Y36 HydrophobicContact CD1-CG 4.49Å; I30-I47 HydrophobicContact CD1-CD1 3.62Å; I30-I47 HydrophobicContact CG1-CD1 4.01Å; I30-Y59 HydrophobicContact CD1-CD2 3.5Å; I30-Y59 VanDerWaalsContact CD1-CD2 3.5Å; I30-Y59 HydrophobicContact CD1-CE2 4.19Å; I30-Y59 HydrophobicContact CD1-CG 3.98Å; I30-F81 WeakPolarHBondContact O-CE1 3.45Å; I30-L84 HydrophobicContact CG2-CD1 4.49Å
31D94.3Very high93Very high40 Ų4043.7 Ų43.721%0.21424%0.244CC..  trans-85.5172.5176.980.12.2000112.4T33 G34 T35 H37D31-T33 VanDerWaalsContact CG-OG1 3.26Å; D31-T33 PolarHBondContact O-N 3.44Å; D31-T33 VanDerWaalsContact OD1-CA 3.29Å; D31-T33 WeakPolarHBondContact OD1-CA 3.49Å; D31-T33 WeakPolarHBondContact OD1-CB 3.19Å; D31-T33 PolarHBondContact OD1-N 3.35Å; D31-T33 PolarHBondContact OD1-OG1 3.44Å; D31-T33 PolarHBondContact OD2-OG1 3.02Å; D31-G34 PolarHBondContact O-N 2.98Å; D31-G34 PolarHBondContact OD1-N 2.79Å; D31-G34 VanDerWaalsContact OD1-N 3.1Å; D31-T35 PolarHBondContact N-O 3.29Å; D31-T35 PolarHBondContact OD1-N 3.45Å; D31-H37 IonicContact OD2-CD2 3.57Å; D31-H37 IonicContact OD2-NE2 3.88Å
32P94.4Very high92.6Very high47 Ų4746.7 Ų46.731%0.30526%0.259SS..THydrogen-bonded Turntrans-60.7-11.7177.6-28.137.7000115.9P80 F81 T83P32-P80 WeakPolarHBondContact CB-O 3.36Å; P32-P80 WeakPolarHBondContact CG-O 3.37Å; P32-F81 HydrophobicContact CB-CD1 4.49Å; P32-F81 HydrophobicContact CG-CD1 4.32Å; P32-F81 HydrophobicContact CG-CD2 4.32Å; P32-F81 HydrophobicContact CG-CE1 4.15Å; P32-F81 HydrophobicContact CG-CE2 4.18Å; P32-F81 HydrophobicContact CG-CG 4.42Å; P32-F81 HydrophobicContact CG-CZ 4.1Å; P32-T83 PolarHBondContact O-OG1 3.17Å; P32-T83 VanDerWaalsContact O-OG1 3.06Å
33T93.4Very high92.5Very high77 Ų7745.6 Ų45.647%0.47225%0.254SS..THydrogen-bonded Turntrans-91.5-6.6176.678.70000112.9D31 T35D31-T33 VanDerWaalsContact CG-OG1 3.26Å; D31-T33 PolarHBondContact O-N 3.44Å; D31-T33 VanDerWaalsContact OD1-CA 3.29Å; D31-T33 WeakPolarHBondContact OD1-CA 3.49Å; D31-T33 WeakPolarHBondContact OD1-CB 3.19Å; D31-T33 PolarHBondContact OD1-N 3.35Å; D31-T33 PolarHBondContact OD1-OG1 3.44Å; D31-T33 PolarHBondContact OD2-OG1 3.02Å; T33-T35 PolarHBondContact OG1-OG1 3.27Å
34G94Very high92.4Very high1 Ų146.5 Ų46.51%0.0126%0.258CS..SBendtrans85.37.7-174.700000113.7D31 K58 Y59D31-G34 PolarHBondContact O-N 2.98Å; D31-G34 PolarHBondContact OD1-N 2.79Å; D31-G34 VanDerWaalsContact OD1-N 3.1Å; G34-K58 CarbonylContact O-C 3.56Å; G34-K58 WeakPolarHBondContact O-CA 3.41Å; G34-Y59 PolarHBondContact O-N 2.94Å
35T94.8Very high92.2Very high47 Ų4751.8 Ų51.829%0.28828%0.282SS..BIsolated β-bridgetrans-88138.4-177.4-48.60000110.3D31 T33D31-T35 PolarHBondContact N-O 3.29Å; D31-T35 PolarHBondContact OD1-N 3.45Å; T33-T35 PolarHBondContact OG1-OG1 3.27Å
36Y95.1Very high92.1Very high55 Ų5554.4 Ų54.422%0.21629%0.292CS..BIsolated β-bridgetrans-80.5126.6175.9175.9-102.7000112.1H28 I30 G38 S40 Q43 L44H28-Y36 VanDerWaalsContact O-CD2 3.27Å; H28-Y36 WeakPolarHBondContact O-CD2 3.35Å; H28-Y36 VanDerWaalsContact O-CE2 3.23Å; H28-Y36 WeakPolarHBondContact O-CE2 3.24Å; I30-Y36 HydrophobicContact CD1-CD2 4Å; I30-Y36 HydrophobicContact CD1-CG 4.49Å; Y36-G38 VanDerWaalsContact CE2-CA 3.44Å; Y36-G38 VanDerWaalsContact OH-C 3.3Å; Y36-G38 WeakPolarHBondContact OH-CA 3.41Å; Y36-S40 PolarHBondContact OH-O 2.69Å; Y36-S40 VanDerWaalsContact OH-O 3.12Å; Y36-Q43 HydrophobicContact CE2-CB 4.02Å; Y36-Q43 PolarHBondContact OH-OE1 3.02Å; Y36-L44 HydrophobicContact CD1-CD1 3.89Å; Y36-L44 HydrophobicContact CD1-CD2 4.36Å; Y36-L44 HydrophobicContact CD1-CG 4.38Å; Y36-L44 HydrophobicContact CD2-CD1 4.42Å; Y36-L44 HydrophobicContact CD2-CD2 3.52Å; Y36-L44 HydrophobicContact CD2-CG 4.04Å; Y36-L44 HydrophobicContact CE1-CD1 3.72Å; Y36-L44 HydrophobicContact CE1-CG 4.14Å; Y36-L44 HydrophobicContact CE2-CD1 4.26Å; Y36-L44 HydrophobicContact CE2-CD2 3.73Å; Y36-L44 HydrophobicContact CE2-CG 3.76Å; Y36-L44 HydrophobicContact CG-CD1 4.22Å; Y36-L44 HydrophobicContact CG-CD2 3.84Å; Y36-L44 HydrophobicContact CG-CG 4.32Å
37H93Very high92.2Very high137 Ų13752.3 Ų52.363%0.63428%0.281SS*.  trans-131.923.9176-68.4-60.9000111.9G29 D31G29-H37 PolarHBondContact O-N 2.9Å; D31-H37 IonicContact OD2-CD2 3.57Å; D31-H37 IonicContact OD2-NE2 3.88Å
38G87.5Confident92.2Very high24 Ų2453.7 Ų53.725%0.24729%0.289CS..  trans-72.4171.8177.400000113.7G29 Y36G29-G38 PolarHBondContact O-N 3.18Å; Y36-G38 VanDerWaalsContact CE2-CA 3.44Å; Y36-G38 VanDerWaalsContact OH-C 3.3Å; Y36-G38 WeakPolarHBondContact OH-CA 3.41Å
39D88.7Confident92.3Very high153 Ų15353.8 Ų53.882%0.81829%0.29SS*.SBendtrans-117.61.1-173.963.2-8.1000113.4
40S87.7Confident92.4Very high35 Ų3553.2 Ų53.225%0.24528%0.283CS..  trans-140.8127.8-174.1169.10000112.4Y36 L42 Q43Y36-S40 PolarHBondContact OH-O 2.69Å; Y36-S40 VanDerWaalsContact OH-O 3.12Å; S40-L42 PolarHBondContact O-N 3.48Å; S40-L42 VanDerWaalsContact O-N 3.09Å; S40-L42 PolarHBondContact OG-N 3.21Å; S40-Q43 VanDerWaalsContact O-CB 3.25Å; S40-Q43 WeakPolarHBondContact O-CB 3.45Å; S40-Q43 PolarHBondContact O-N 3.35Å
41D89.8Confident92.5Very high145 Ų14553.2 Ų53.278%0.77528%0.283SS*.G310 helixtrans-56.4-30.6177.9-62.3-23.9000113.1Q43 L44 E45D41-Q43 PolarHBondContact O-N 2.84Å; D41-Q43 VanDerWaalsContact O-N 3.13Å; D41-L44 PolarHBondContact O-N 3.43Å; D41-E45 PolarHBondContact O-N 2.95Å
42L89.1Confident92.5Very high63 Ų6352.3 Ų52.333%0.3328%0.278SS..G310 helixtrans-59.7-21.5175.3-61.7176.6000113.3S40 L44 P242 I355S40-L42 PolarHBondContact O-N 3.48Å; S40-L42 VanDerWaalsContact O-N 3.09Å; S40-L42 PolarHBondContact OG-N 3.21Å; L42-L44 VanDerWaalsContact C-N 3.32Å; L42-P242 HydrophobicContact CD2-CG 3.81Å; L42-I355 HydrophobicContact CB-CD1 3.63Å; L42-I355 HydrophobicContact CD1-CD1 4.37Å
43Q90.9Very high92.5Very high16 Ų1657 Ų578%0.07530%0.296CS..G310 helixtrans-72.1-27.3175.3-66.8173.4-5000112E27 H28 Y36 S40 D41 I355E27-Q43 PolarHBondContact O-NE2 3.22Å; H28-Q43 PolarHBondContact ND1-O 3.45Å; Y36-Q43 HydrophobicContact CE2-CB 4.02Å; Y36-Q43 PolarHBondContact OH-OE1 3.02Å; S40-Q43 VanDerWaalsContact O-CB 3.25Å; S40-Q43 WeakPolarHBondContact O-CB 3.45Å; S40-Q43 PolarHBondContact O-N 3.35Å; D41-Q43 PolarHBondContact O-N 2.84Å; D41-Q43 VanDerWaalsContact O-N 3.13Å; Q43-I355 HydrophobicContact CG-CD1 4.48Å
44L92.7Very high92.3Very high53 Ų5355.2 Ų55.228%0.27729%0.289SS..THydrogen-bonded Turntrans-95.3-20.5179.7-67.1-179.4000113.2Y36 D41 L42 R46 I47 Y59Y36-L44 HydrophobicContact CD1-CD1 3.89Å; Y36-L44 HydrophobicContact CD1-CD2 4.36Å; Y36-L44 HydrophobicContact CD1-CG 4.38Å; Y36-L44 HydrophobicContact CD2-CD1 4.42Å; Y36-L44 HydrophobicContact CD2-CD2 3.52Å; Y36-L44 HydrophobicContact CD2-CG 4.04Å; Y36-L44 HydrophobicContact CE1-CD1 3.72Å; Y36-L44 HydrophobicContact CE1-CG 4.14Å; Y36-L44 HydrophobicContact CE2-CD1 4.26Å; Y36-L44 HydrophobicContact CE2-CD2 3.73Å; Y36-L44 HydrophobicContact CE2-CG 3.76Å; Y36-L44 HydrophobicContact CG-CD1 4.22Å; Y36-L44 HydrophobicContact CG-CD2 3.84Å; Y36-L44 HydrophobicContact CG-CG 4.32Å; D41-L44 PolarHBondContact O-N 3.43Å; L42-L44 VanDerWaalsContact C-N 3.32Å; L44-R46 VanDerWaalsContact C-N 3.27Å; L44-R46 PolarHBondContact O-N 3.46Å; L44-R46 VanDerWaalsContact O-N 3.11Å; L44-I47 HydrophobicContact CD2-CD1 3.65Å; L44-I47 HydrophobicContact CD2-CG2 4.42Å; L44-I47 VanDerWaalsContact O-CG2 3.25Å; L44-I47 WeakPolarHBondContact O-CG2 3.32Å; L44-I47 PolarHBondContact O-N 3.31Å; L44-Y59 HydrophobicContact CD2-CE2 4.08Å
45E90.6Very high92.1Very high110 Ų11060.5 Ų60.551%0.51433%0.325SS..THydrogen-bonded Turntrans-55-36.9-171.1-171.5177.7153.700114.5D41 P242D41-E45 PolarHBondContact O-N 2.95Å; E45-P242 WeakPolarHBondContact OE2-CG 3.23Å
46R91.8Very high91.7Very high55 Ų5562.1 Ų62.121%0.20835%0.352CS..THydrogen-bonded Turntrans-12727.3178.5-65.5-171.7179.6-175.91.2112.9L44 N48 V49 C238 L239 R240 F241L44-R46 VanDerWaalsContact C-N 3.27Å; L44-R46 PolarHBondContact O-N 3.46Å; L44-R46 VanDerWaalsContact O-N 3.11Å; R46-N48 WeakPolarHBondContact CA-OD1 3.48Å; R46-N48 PolarHBondContact O-N 2.93Å; R46-V49 HydrophobicContact CB-CG2 4Å; R46-V49 WeakPolarHBondContact O-CB 3.38Å; R46-V49 VanDerWaalsContact O-CG2 3.25Å; R46-V49 WeakPolarHBondContact O-CG2 3.5Å; R46-V49 PolarHBondContact O-N 3.07Å; R46-V49 VanDerWaalsContact O-N 3.15Å; R46-C238 PolarHBondContact NH1-O 3.04Å; R46-L239 WeakPolarHBondContact CD-O 3.41Å; R46-R240 WeakPolarHBondContact CB-O 3.48Å; R46-F241 PolarHBondContact NH1-O 3.39Å
47I93.7Very high91.4Very high10 Ų1061.1 Ų61.15%0.05136%0.358CS..G310 helixtrans-61.1-31.4-179-166.2160.3000112.3H28 I30 L44 V49 Y50 Y51 Y59H28-I47 HydrophobicContact CB-CD1 4.44Å; I30-I47 HydrophobicContact CD1-CD1 3.62Å; I30-I47 HydrophobicContact CG1-CD1 4.01Å; L44-I47 HydrophobicContact CD2-CD1 3.65Å; L44-I47 HydrophobicContact CD2-CG2 4.42Å; L44-I47 VanDerWaalsContact O-CG2 3.25Å; L44-I47 WeakPolarHBondContact O-CG2 3.32Å; L44-I47 PolarHBondContact O-N 3.31Å; I47-V49 PolarHBondContact O-N 3.27Å; I47-V49 VanDerWaalsContact O-N 3.1Å; I47-Y50 PolarHBondContact O-N 3.43Å; I47-Y51 HydrophobicContact CD1-CD2 4.47Å; I47-Y51 HydrophobicContact CG1-CD2 3.67Å; I47-Y51 HydrophobicContact CG1-CE2 4.45Å; I47-Y51 HydrophobicContact CG1-CG 4.1Å; I47-Y51 WeakPolarHBondContact O-CD2 3.29Å; I47-Y51 PolarHBondContact O-N 3.33Å; I47-Y59 HydrophobicContact CB-CE1 4.47Å; I47-Y59 HydrophobicContact CD1-CD1 3.6Å; I47-Y59 HydrophobicContact CD1-CD2 3.98Å; I47-Y59 HydrophobicContact CD1-CE1 3.79Å; I47-Y59 HydrophobicContact CD1-CE2 4.12Å; I47-Y59 HydrophobicContact CD1-CG 3.7Å; I47-Y59 HydrophobicContact CG1-CD1 3.9Å; I47-Y59 HydrophobicContact CG1-CE1 4.15Å; I47-Y59 HydrophobicContact CG1-CG 4.37Å; I47-Y59 HydrophobicContact CG2-CD1 4.06Å; I47-Y59 HydrophobicContact CG2-CE1 3.53Å
48N93.8Very high91.4Very high39 Ų3959.3 Ų59.321%0.20935%0.349CS..G310 helixtrans-61.7-15.9178.365.7-59.3000114.4M1 R46 Y50 Y51M1-N48 VanDerWaalsContact CB-ND2 3.31Å; M1-N48 WeakPolarHBondContact CB-ND2 3.48Å; M1-N48 WeakPolarHBondContact CG-ND2 3.42Å; R46-N48 WeakPolarHBondContact CA-OD1 3.48Å; R46-N48 PolarHBondContact O-N 2.93Å; N48-Y50 VanDerWaalsContact C-N 3.3Å; N48-Y50 PolarHBondContact O-N 2.92Å; N48-Y51 WeakPolarHBondContact CA-O 3.34Å
49V94.5Very high91.8Very high4 Ų459.3 Ų59.32%0.02434%0.341CS..G310 helixtrans-61-42176.7176.70000110.8R2 I4 R46 I47 L239R2-V49 WeakPolarHBondContact O-CG2 3.29Å; I4-V49 HydrophobicContact CD1-CG1 3.78Å; I4-V49 HydrophobicContact CG1-CG1 4.08Å; I4-V49 PolarHBondContact N-O 2.96Å; R46-V49 HydrophobicContact CB-CG2 4Å; R46-V49 WeakPolarHBondContact O-CB 3.38Å; R46-V49 VanDerWaalsContact O-CG2 3.25Å; R46-V49 WeakPolarHBondContact O-CG2 3.5Å; R46-V49 PolarHBondContact O-N 3.07Å; R46-V49 VanDerWaalsContact O-N 3.15Å; I47-V49 PolarHBondContact O-N 3.27Å; I47-V49 VanDerWaalsContact O-N 3.1Å; V49-L239 HydrophobicContact CG1-CB 4.38Å
50Y96.3Very high92.2Very high2 Ų253.2 Ų53.21%0.00831%0.31CS..THydrogen-bonded Turntrans-115.4-18.6-177.5-81.6-82.6000113.7I4 F20 W21 I24 I47 N48 R62 Q134 T236 R240I4-Y50 HydrophobicContact CB-CE1 4.42Å; I4-Y50 HydrophobicContact CD1-CE2 4.22Å; I4-Y50 HydrophobicContact CG2-CE1 4.18Å; F20-Y50 HydrophobicContact CE1-CD1 4.25Å; F20-Y50 AromaticContact CE1-CE1 3.96Å; F20-Y50 HydrophobicContact CE1-CE1 3.96Å; F20-Y50 HydrophobicContact CZ-CD1 4.34Å; F20-Y50 AromaticContact CZ-CE1 3.83Å; F20-Y50 HydrophobicContact CZ-CE1 3.83Å; W21-Y50 AromaticContact CH2-CD1 3.78Å; W21-Y50 HydrophobicContact CH2-CD1 3.78Å; W21-Y50 HydrophobicContact CH2-CG 4.27Å; W21-Y50 VanDerWaalsContact CH2-O 3.25Å; W21-Y50 WeakPolarHBondContact CH2-O 3.49Å; W21-Y50 HydrophobicContact CZ2-CD1 4.29Å; W21-Y50 HydrophobicContact CZ3-CD1 4.45Å; I24-Y50 HydrophobicContact CD1-CD1 4.32Å; I24-Y50 HydrophobicContact CD1-CG 4.14Å; I47-Y50 PolarHBondContact O-N 3.43Å; N48-Y50 VanDerWaalsContact C-N 3.3Å; N48-Y50 PolarHBondContact O-N 2.92Å; Y50-R62 WeakPolarHBondContact O-CB 3.47Å; Y50-R62 PolarHBondContact O-N 3.39Å; Y50-Q134 VanDerWaalsContact CE1-OE1 3.28Å; Y50-Q134 PolarHBondContact OH-OE1 3.44Å; Y50-T236 WeakPolarHBondContact OH-CG2 3.39Å; Y50-R240 HydrophobicContact CD2-CG 3.57Å; Y50-R240 HydrophobicContact CE2-CG 3.59Å
51Y96.6Very high92.7Very high4 Ų451.6 Ų51.62%0.01630%0.298CS..EExtended strand (participates in β ladder)trans-116.3138.5-176.7-62.1-94.8000111.8W21 I24 S25 I47 N48 V60 P61 L84W21-Y51 HydrophobicContact CE3-CE1 4.11Å; W21-Y51 AromaticContact CE3-CZ 3.92Å; W21-Y51 HydrophobicContact CZ3-CD1 4.36Å; W21-Y51 AromaticContact CZ3-CE1 3.88Å; W21-Y51 HydrophobicContact CZ3-CE1 3.88Å; W21-Y51 HydrophobicContact CZ3-CE2 4.08Å; W21-Y51 AromaticContact CZ3-CZ 3.71Å; I24-Y51 HydrophobicContact CD1-CE2 4.28Å; S25-Y51 WeakPolarHBondContact CA-OH 3.41Å; S25-Y51 WeakPolarHBondContact CB-OH 3.44Å; S25-Y51 PolarHBondContact N-OH 2.97Å; S25-Y51 PolarHBondContact OG-OH 3.06Å; I47-Y51 HydrophobicContact CD1-CD2 4.47Å; I47-Y51 HydrophobicContact CG1-CD2 3.67Å; I47-Y51 HydrophobicContact CG1-CE2 4.45Å; I47-Y51 HydrophobicContact CG1-CG 4.1Å; I47-Y51 WeakPolarHBondContact O-CD2 3.29Å; I47-Y51 PolarHBondContact O-N 3.33Å; N48-Y51 WeakPolarHBondContact CA-O 3.34Å; Y51-V60 CarbonylContact C-O 3.51Å; Y51-V60 WeakPolarHBondContact CA-O 3.4Å; Y51-P61 HydrophobicContact CD1-CG 4.27Å; Y51-P61 HydrophobicContact CE1-CG 3.98Å; Y51-L84 HydrophobicContact CE1-CD2 4.35Å
52N94.8Very high93Very high21 Ų2145 Ų4511%0.11226%0.262CS..EExtended strand (participates in β ladder)trans-80.9130.9162.6-72.3-52.3000109.2A54 Y59 V60 R62 E123N52-A54 PolarHBondContact O-N 2.85Å; N52-Y59 WeakPolarHBondContact O-CA 2.84Å; N52-V60 PolarHBondContact N-O 3.2Å; N52-V60 PolarHBondContact O-N 3.3Å; N52-R62 PolarHBondContact OD1-NH1 3.41Å; N52-R62 PolarHBondContact OD1-NH2 3.04Å; N52-E123 PolarHBondContact ND2-OE2 3.43Å
53E93.3Very high93.4Very high146 Ų14642 Ų4268%0.68225%0.247SC*.EExtended strand (participates in β ladder)trans-81.6112.2170.4-170.3176.5174.900109.6Y59E53-Y59 HydrophobicContact CB-CD1 4.48Å; E53-Y59 HydrophobicContact CB-CE1 4.24Å; E53-Y59 HydrophobicContact CG-CE1 4.12Å
54A90.3Very high93.7Very high39 Ų3941.2 Ų41.232%0.32224%0.244SC..EExtended strand (participates in β ladder)trans-97.4173177.600000111.4N52 G57 K58 V60N52-A54 PolarHBondContact O-N 2.85Å; A54-G57 PolarHBondContact O-N 3.42Å; A54-K58 WeakPolarHBondContact CA-O 3.28Å; A54-K58 HydrophobicContact CB-CB 4.38Å; A54-K58 WeakPolarHBondContact CB-O 3.48Å; A54-K58 PolarHBondContact N-O 3.41Å; A54-V60 HydrophobicContact CB-CG2 4.07Å
55S89.3Confident94Very high112 Ų11238.7 Ų38.778%0.78323%0.23SC*.THydrogen-bonded Turntrans-58.1143.817856.80000112.2
56G86.5Confident94.3Very high81 Ų8133.5 Ų33.584%0.83521%0.206SC*.THydrogen-bonded Turntrans78.219.4179.400000114.9K58G56-K58 VanDerWaalsContact C-N 3.32Å
57G88.4Confident94.6Very high35 Ų3531 Ų3136%0.36120%0.197SC..THydrogen-bonded Turntrans70.430178.600000112.9A54A54-G57 PolarHBondContact O-N 3.42Å
58K94.1Very high94.6Very high99 Ų9930.6 Ų30.643%0.4320%0.195SC..EExtended strand (participates in β ladder)trans-95.6133.8178.4-69.1-169.9174.6-163.20110.4G34 A54 G56G34-K58 CarbonylContact O-C 3.56Å; G34-K58 WeakPolarHBondContact O-CA 3.41Å; A54-K58 WeakPolarHBondContact CA-O 3.28Å; A54-K58 HydrophobicContact CB-CB 4.38Å; A54-K58 WeakPolarHBondContact CB-O 3.48Å; A54-K58 PolarHBondContact N-O 3.41Å; G56-K58 VanDerWaalsContact C-N 3.32Å
59Y96.2Very high94.4Very high23 Ų2332.6 Ų32.69%0.0920%0.203CC..EExtended strand (participates in β ladder)trans-102124.2177-64.7-80.9000109.9I30 G34 L44 I47 N52 E53 L84I30-Y59 HydrophobicContact CD1-CD2 3.5Å; I30-Y59 VanDerWaalsContact CD1-CD2 3.5Å; I30-Y59 HydrophobicContact CD1-CE2 4.19Å; I30-Y59 HydrophobicContact CD1-CG 3.98Å; G34-Y59 PolarHBondContact O-N 2.94Å; L44-Y59 HydrophobicContact CD2-CE2 4.08Å; I47-Y59 HydrophobicContact CB-CE1 4.47Å; I47-Y59 HydrophobicContact CD1-CD1 3.6Å; I47-Y59 HydrophobicContact CD1-CD2 3.98Å; I47-Y59 HydrophobicContact CD1-CE1 3.79Å; I47-Y59 HydrophobicContact CD1-CE2 4.12Å; I47-Y59 HydrophobicContact CD1-CG 3.7Å; I47-Y59 HydrophobicContact CG1-CD1 3.9Å; I47-Y59 HydrophobicContact CG1-CE1 4.15Å; I47-Y59 HydrophobicContact CG1-CG 4.37Å; I47-Y59 HydrophobicContact CG2-CD1 4.06Å; I47-Y59 HydrophobicContact CG2-CE1 3.53Å; N52-Y59 WeakPolarHBondContact O-CA 2.84Å; E53-Y59 HydrophobicContact CB-CD1 4.48Å; E53-Y59 HydrophobicContact CB-CE1 4.24Å; E53-Y59 HydrophobicContact CG-CE1 4.12Å; Y59-L84 WeakPolarHBondContact O-CD1 3.46Å
60V96.2Very high94.3Very high26 Ų2634.7 Ų34.716%0.15822%0.216CC..EExtended strand (participates in β ladder)trans-114.7124.5-178-178.80000109.2Y51 N52 A54 R62 R86Y51-V60 CarbonylContact C-O 3.51Å; Y51-V60 WeakPolarHBondContact CA-O 3.4Å; N52-V60 PolarHBondContact N-O 3.2Å; N52-V60 PolarHBondContact O-N 3.3Å; A54-V60 HydrophobicContact CB-CG2 4.07Å; V60-R62 PolarHBondContact O-N 3.18Å; V60-R86 HydrophobicContact CG1-CB 4.26Å
61P97.2Very high94Very high1 Ų136.5 Ų36.51%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-49.8130.4174.7-32.537.8000112.7W21 Y51 A63 L84 F85W21-P61 HydrophobicContact CD2-CB 3.87Å; W21-P61 HydrophobicContact CD2-CG 4.17Å; W21-P61 HydrophobicContact CE3-CB 3.65Å; W21-P61 HydrophobicContact CE3-CG 3.75Å; W21-P61 HydrophobicContact CH2-CB 3.64Å; W21-P61 HydrophobicContact CZ2-CB 3.85Å; W21-P61 HydrophobicContact CZ3-CB 3.52Å; W21-P61 HydrophobicContact CZ3-CG 3.96Å; Y51-P61 HydrophobicContact CD1-CG 4.27Å; Y51-P61 HydrophobicContact CE1-CG 3.98Å; P61-A63 HydrophobicContact CB-CB 4.03Å; P61-A63 PolarHBondContact O-N 3.4Å; P61-L84 VanDerWaalsContact CD-CG 3.43Å; P61-L84 WeakPolarHBondContact CD-O 3.48Å; P61-L84 HydrophobicContact CG-CD2 3.56Å; P61-L84 HydrophobicContact CG-CG 3.64Å; P61-F85 HydrophobicContact CB-CD1 3.92Å; P61-F85 HydrophobicContact CB-CE1 3.95Å; P61-F85 HydrophobicContact CG-CD1 4.14Å; P61-F85 HydrophobicContact CG-CE1 4.14Å
62R97Very high93.7Very high5 Ų536.8 Ų36.82%0.01924%0.238CC..  trans-78.963167.9-167.9-179.8-72.6-86.420.7109.4I4 V5 H6 Y50 N52 V60 E123 S126 C127I4-R62 VanDerWaalsContact O-CD 3.29Å; I4-R62 WeakPolarHBondContact O-CD 3.19Å; V5-R62 HydrophobicContact CG2-CG 4.04Å; H6-R62 PolarHBondContact N-O 3.06Å; Y50-R62 WeakPolarHBondContact O-CB 3.47Å; Y50-R62 PolarHBondContact O-N 3.39Å; N52-R62 PolarHBondContact OD1-NH1 3.41Å; N52-R62 PolarHBondContact OD1-NH2 3.04Å; V60-R62 PolarHBondContact O-N 3.18Å; R62-E123 PolarHBondContact NH1-O 3.11Å; R62-E123 IonicContact NH1-OE2 2.92Å; R62-E123 PolarHBondContact NH1-OE2 2.88Å; R62-S126 PolarHBondContact NH1-OG 2.96Å; R62-S126 PolarHBondContact NH2-O 3.33Å; R62-S126 VanDerWaalsContact NH2-O 3.14Å; R62-C127 PolarHBondContact NH1-SG 3.47Å; R62-C127 PolarHBondContact NH2-SG 3.31Å; R62-C127 VanDerWaalsContact NH2-SG 3.44Å
63A97.6Very high93.6Very high1 Ų136 Ų361%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-120.6141.6-173.600000111.6H6 W21 P61 L65 F85 N89H6-A63 CarbonylContact O-C 3.56Å; H6-A63 VanDerWaalsContact O-CA 3.27Å; H6-A63 WeakPolarHBondContact O-CA 3.38Å; W21-A63 HydrophobicContact CZ2-CB 3.68Å; P61-A63 HydrophobicContact CB-CB 4.03Å; P61-A63 PolarHBondContact O-N 3.4Å; A63-L65 HydrophobicContact CB-CD1 4.36Å; A63-F85 HydrophobicContact CB-CD1 3.9Å; A63-F85 HydrophobicContact CB-CE1 3.82Å; A63-N89 VanDerWaalsContact O-CB 3.25Å; A63-N89 WeakPolarHBondContact O-CB 3.36Å; A63-N89 PolarHBondContact O-ND2 3.27Å
64I98Very high93.5Very high0 Ų033.9 Ų33.90%023%0.227CC..EExtended strand (participates in β ladder)trans-121.4123.5173.1-54.8172.8000107.8V5 H6 I7 Q8 V66 I91 V116 V119 V120 E123V5-I64 HydrophobicContact CG1-CD1 3.91Å; H6-I64 PolarHBondContact O-N 3.47Å; I7-I64 WeakPolarHBondContact CA-O 3.19Å; I7-I64 HydrophobicContact CG1-CB 4.48Å; Q8-I64 PolarHBondContact N-O 3.22Å; I64-V66 HydrophobicContact CG2-CG2 3.95Å; I64-I91 HydrophobicContact CG2-CD1 3.9Å; I64-V116 HydrophobicContact CG2-CG1 4.28Å; I64-V119 HydrophobicContact CD1-CB 4.48Å; I64-V119 HydrophobicContact CD1-CG1 3.95Å; I64-V119 HydrophobicContact CG1-CG1 3.95Å; I64-V119 HydrophobicContact CG2-CG1 4.28Å; I64-V120 HydrophobicContact CD1-CB 4.12Å; I64-V120 HydrophobicContact CD1-CG2 3.48Å; I64-V120 VanDerWaalsContact CD1-CG2 3.48Å; I64-E123 HydrophobicContact CD1-CG 4.42Å
65L97.9Very high93.5Very high0 Ų036.2 Ų36.20%024%0.241CC..EExtended strand (participates in β ladder)trans-109.8118.8-174.5-62.892.4000108.8A63 M73 V76 F85 N89 F90 I91A63-L65 HydrophobicContact CB-CD1 4.36Å; L65-M73 HydrophobicContact CB-CE 4.46Å; L65-M73 HydrophobicContact CB-SD 4.08Å; L65-V76 HydrophobicContact CD2-CB 4.41Å; L65-V76 HydrophobicContact CD2-CG1 3.62Å; L65-V76 HydrophobicContact CD2-CG2 4.48Å; L65-F85 HydrophobicContact CD1-CB 4.28Å; L65-F85 HydrophobicContact CD1-CD1 3.86Å; L65-F85 HydrophobicContact CD1-CE1 4.41Å; L65-F85 HydrophobicContact CD1-CG 4.06Å; L65-N89 PolarHBondContact N-O 3.03Å; L65-F90 HydrophobicContact CB-CD1 4.35Å; L65-F90 HydrophobicContact CD1-CZ 4.4Å; L65-F90 HydrophobicContact CD2-CE1 3.97Å; L65-F90 HydrophobicContact CD2-CZ 4.34Å; L65-I91 PolarHBondContact O-N 3.43Å
66V97.3Very high93.7Very high1 Ų131.3 Ų31.31%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-125.5128.2-171.2-171.20000109.9I7 Q8 A9 G10 N14 I64 I91 V116 M147I7-V66 HydrophobicContact CG2-CG2 4.38Å; Q8-V66 WeakPolarHBondContact O-CA 3.44Å; Q8-V66 PolarHBondContact O-N 3.13Å; A9-V66 WeakPolarHBondContact CA-O 3.47Å; G10-V66 PolarHBondContact N-O 3.29Å; N14-V66 PolarHBondContact ND2-O 2.93Å; I64-V66 HydrophobicContact CG2-CG2 3.95Å; V66-I91 WeakPolarHBondContact CA-O 2.71Å; V66-V116 HydrophobicContact CB-CG2 4.49Å; V66-V116 HydrophobicContact CG1-CG2 3.75Å; V66-V116 HydrophobicContact CG2-CB 4.49Å; V66-V116 HydrophobicContact CG2-CG1 3.71Å; V66-V116 HydrophobicContact CG2-CG2 3.86Å; V66-M147 HydrophobicContact CG1-CE 3.45Å; V66-M147 VanDerWaalsContact CG1-CE 3.45Å; V66-M147 HydrophobicContact CG1-SD 3.73Å
67D96.8Very high94Very high2 Ų232.5 Ų32.51%0.01119%0.186CC..EExtended strand (participates in β ladder)trans-152.8149.3165.8-154.8-21.4000110.7G10 Q11 E69 T72 M73 I91 F92 G93 T143G10-D67 VanDerWaalsContact C-OD2 3.31Å; Q11-D67 PolarHBondContact N-OD2 3.41Å; Q11-D67 VanDerWaalsContact N-OD2 3.13Å; D67-E69 PolarHBondContact OD1-N 2.99Å; D67-T72 WeakPolarHBondContact OD2-CB 3.26Å; D67-T72 WeakPolarHBondContact OD2-CG2 3.35Å; D67-T72 PolarHBondContact OD2-OG1 2.96Å; D67-M73 HydrophobicContact CB-CE 3.32Å; D67-I91 PolarHBondContact N-O 2.82Å; D67-F92 CarbonylContact O-C 3.51Å; D67-F92 WeakPolarHBondContact O-CA 3.26Å; D67-F92 WeakPolarHBondContact O-CB 3.31Å; D67-G93 PolarHBondContact O-N 2.93Å; D67-T143 PolarHBondContact OD1-OG1 3.18Å
68L95.1Very high94.3Very high2 Ų235.2 Ų35.21%0.0120%0.204CC..SBendtrans-78.5-17.9172.3-71.3172.7000111.1G93 S95 A97 E108 L112 T143 M147L68-G93 CarbonylContact O-C 3.42Å; L68-G93 VanDerWaalsContact O-C 3.25Å; L68-G93 WeakPolarHBondContact O-CA 3.41Å; L68-S95 CarbonylContact C-O 3.57Å; L68-S95 WeakPolarHBondContact CB-O 3.47Å; L68-S95 CarbonylContact O-C 3.6Å; L68-S95 VanDerWaalsContact O-C 3.29Å; L68-S95 PolarHBondContact O-N 3.09Å; L68-A97 HydrophobicContact CD1-CB 3.93Å; L68-E108 HydrophobicContact CD1-CB 4.11Å; L68-E108 HydrophobicContact CD2-CB 4.13Å; L68-L112 HydrophobicContact CD2-CB 4.17Å; L68-L112 HydrophobicContact CD2-CD2 3.77Å; L68-T143 HydrophobicContact CB-CG2 4.09Å; L68-T143 HydrophobicContact CD1-CG2 4.02Å; L68-T143 HydrophobicContact CG-CG2 3.79Å; L68-M147 HydrophobicContact CD1-SD 4.45Å; L68-M147 HydrophobicContact CD2-SD 4.11Å; L68-M147 HydrophobicContact CG-SD 4.03Å
69E90.2Very high94.2Very high81 Ų8131.7 Ų31.738%0.37920%0.197SC..SBendtrans-100.9129.9175.2-65.4-174.4-177.400112.9D67 G71D67-E69 PolarHBondContact OD1-N 2.99Å; E69-G71 VanDerWaalsContact C-N 3.34Å; E69-G71 PolarHBondContact O-N 2.8Å
70P90.5Very high94Very high47 Ų4734.1 Ų34.131%0.30522%0.215SC..Hα-helixtrans-69.3-29.9-179.325.8-33.4000113.3T72 M73 F92P70-T72 PolarHBondContact O-N 2.75Å; P70-M73 WeakPolarHBondContact O-CB 3.45Å; P70-M73 PolarHBondContact O-N 3.3Å; P70-F92 HydrophobicContact CB-CD2 3.95Å; P70-F92 HydrophobicContact CB-CE2 4.33Å
71G91.3Very high93.9Very high41 Ų4134.4 Ų34.442%0.42321%0.214SC..Hα-helixtrans-63.8-25.8-17400000114.5E69 M73 S75E69-G71 VanDerWaalsContact C-N 3.34Å; E69-G71 PolarHBondContact O-N 2.8Å; G71-M73 VanDerWaalsContact C-N 3.32Å; G71-S75 PolarHBondContact O-N 2.82Å; G71-S75 PolarHBondContact O-OG 3.07Å; G71-S75 VanDerWaalsContact O-OG 3.05Å
72T90.6Very high93.6Very high10 Ų1034.6 Ų34.66%0.06122%0.216CC..Hα-helixtrans-64.3-40174.3-58.50000111N14 D67 P70 D74 S75 V76N14-T72 HydrophobicContact CB-CG2 3.54Å; D67-T72 WeakPolarHBondContact OD2-CB 3.26Å; D67-T72 WeakPolarHBondContact OD2-CG2 3.35Å; D67-T72 PolarHBondContact OD2-OG1 2.96Å; P70-T72 PolarHBondContact O-N 2.75Å; T72-D74 PolarHBondContact O-N 2.79Å; T72-S75 WeakPolarHBondContact O-CB 3.2Å; T72-S75 PolarHBondContact O-N 3.46Å; T72-V76 WeakPolarHBondContact O-CG2 3.5Å; T72-V76 PolarHBondContact O-N 2.94Å
73M90.9Very high93.4Very high3 Ų339.8 Ų39.82%0.01525%0.249CC..Hα-helixtrans-67.6-39.2-177.1-60-58.5135.900112.1L65 D67 P70 G71 S75 V76 R77 F90 F92L65-M73 HydrophobicContact CB-CE 4.46Å; L65-M73 HydrophobicContact CB-SD 4.08Å; D67-M73 HydrophobicContact CB-CE 3.32Å; P70-M73 WeakPolarHBondContact O-CB 3.45Å; P70-M73 PolarHBondContact O-N 3.3Å; G71-M73 VanDerWaalsContact C-N 3.32Å; M73-S75 VanDerWaalsContact C-N 3.29Å; M73-S75 PolarHBondContact O-N 2.85Å; M73-V76 PolarHBondContact O-N 3.17Å; M73-R77 WeakPolarHBondContact O-CB 3.29Å; M73-R77 WeakPolarHBondContact O-CG 3.27Å; M73-R77 PolarHBondContact O-N 3.36Å; M73-F90 HydrophobicContact CB-CD1 4.21Å; M73-F90 HydrophobicContact CG-CD1 4.35Å; M73-F90 HydrophobicContact SD-CD1 3.63Å; M73-F90 HydrophobicContact SD-CE1 4.35Å; M73-F92 HydrophobicContact CG-CB 3.85Å; M73-F92 HydrophobicContact CG-CD1 3.88Å; M73-F92 HydrophobicContact CG-CG 4Å
74D91.5Very high93.2Very high103 Ų10340.2 Ų40.255%0.55125%0.251SS*.Hα-helixtrans-62-40.6174.7-69.3-29.7000111.3T72 R77 A78T72-D74 PolarHBondContact O-N 2.79Å; D74-R77 PolarHBondContact O-N 2.6Å; D74-A78 WeakPolarHBondContact O-CB 3.49Å; D74-A78 PolarHBondContact O-N 3.41Å
75S91.9Very high93.1Very high87 Ų8740.7 Ų40.761%0.60825%0.253SS*.Hα-helixtrans-64.6-40.6177.6-57.90000112G71 T72 M73 G79G71-S75 PolarHBondContact O-N 2.82Å; G71-S75 PolarHBondContact O-OG 3.07Å; G71-S75 VanDerWaalsContact O-OG 3.05Å; T72-S75 WeakPolarHBondContact O-CB 3.2Å; T72-S75 PolarHBondContact O-N 3.46Å; M73-S75 VanDerWaalsContact C-N 3.29Å; M73-S75 PolarHBondContact O-N 2.85Å; S75-G79 PolarHBondContact O-N 3.07Å
76V92.9Very high92.9Very high10 Ų1044.7 Ų44.76%0.06127%0.268CS..Hα-helixtrans-68.3-44176.6176.50000111.3N14 A18 L65 T72 M73 A78 G79 G82 F85 F90N14-V76 HydrophobicContact CB-CG2 4Å; A18-V76 HydrophobicContact CB-CG1 4.48Å; L65-V76 HydrophobicContact CD2-CB 4.41Å; L65-V76 HydrophobicContact CD2-CG1 3.62Å; L65-V76 HydrophobicContact CD2-CG2 4.48Å; T72-V76 WeakPolarHBondContact O-CG2 3.5Å; T72-V76 PolarHBondContact O-N 2.94Å; M73-V76 PolarHBondContact O-N 3.17Å; V76-A78 VanDerWaalsContact C-N 3.3Å; V76-A78 PolarHBondContact O-N 3.39Å; V76-G79 WeakPolarHBondContact O-CA 3.49Å; V76-G79 PolarHBondContact O-N 2.85Å; V76-G82 VanDerWaalsContact O-CA 3.24Å; V76-G82 WeakPolarHBondContact O-CA 3.33Å; V76-F85 HydrophobicContact CG1-CD2 4.3Å; V76-F85 HydrophobicContact CG1-CE2 4.09Å; V76-F90 HydrophobicContact CG1-CE1 4.4Å
77R92.7Very high92.8Very high106 Ų10649.1 Ų49.140%0.430%0.297SS..Hα-helixtrans-63.6-34.7178.2-74.1177-178.7175.80.5112.9M73 D74 G79 F90M73-R77 WeakPolarHBondContact O-CB 3.29Å; M73-R77 WeakPolarHBondContact O-CG 3.27Å; M73-R77 PolarHBondContact O-N 3.36Å; D74-R77 PolarHBondContact O-N 2.6Å; R77-G79 PolarHBondContact O-N 3.33Å; R77-F90 HydrophobicContact CG-CD1 4.49Å; R77-F90 HydrophobicContact CG-CE1 3.74Å; R77-F90 HydrophobicContact CG-CZ 3.88Å
78A93.4Very high92.7Very high91 Ų9153.6 Ų53.675%0.75232%0.321SS*.THydrogen-bonded Turntrans-75.5-10.6174.100000113.4D74 V76D74-A78 WeakPolarHBondContact O-CB 3.49Å; D74-A78 PolarHBondContact O-N 3.41Å; V76-A78 VanDerWaalsContact C-N 3.3Å; V76-A78 PolarHBondContact O-N 3.39Å
79G92.2Very high92.7Very high26 Ų2653.6 Ų53.627%0.26832%0.321SS..SBendtrans-66.8164.5176.100000113.1S75 V76 R77 F81 G82S75-G79 PolarHBondContact O-N 3.07Å; V76-G79 WeakPolarHBondContact O-CA 3.49Å; V76-G79 PolarHBondContact O-N 2.85Å; R77-G79 PolarHBondContact O-N 3.33Å; G79-F81 PolarHBondContact O-N 3.03Å; G79-F81 VanDerWaalsContact O-N 3.16Å; G79-G82 PolarHBondContact O-N 3.49Å
80P92.8Very high93Very high74 Ų7450.5 Ų50.548%0.48131%0.306SS..THydrogen-bonded Turntrans-61.7-28.8-173.225.6-35.4000113.9E22 P32E22-P80 HydrophobicContact CG-CG 3.93Å; E22-P80 WeakPolarHBondContact OE1-CD 3.22Å; E22-P80 WeakPolarHBondContact OE1-CG 3.45Å; P32-P80 WeakPolarHBondContact CB-O 3.36Å; P32-P80 WeakPolarHBondContact CG-O 3.37Å
81F93.8Very high93.2Very high31 Ų3149 Ų4914%0.13630%0.295CS..THydrogen-bonded Turntrans-112.615.2177.2-78.2-104.1000112.2E22 S25 I30 P32 G79 T83 L84E22-F81 HydrophobicContact CB-CD2 4.25Å; E22-F81 HydrophobicContact CG-CB 4.35Å; E22-F81 HydrophobicContact CG-CD2 3.73Å; E22-F81 HydrophobicContact CG-CE2 4.4Å; E22-F81 HydrophobicContact CG-CG 4.29Å; S25-F81 VanDerWaalsContact CB-CE1 3.41Å; I30-F81 WeakPolarHBondContact O-CE1 3.45Å; P32-F81 HydrophobicContact CB-CD1 4.49Å; P32-F81 HydrophobicContact CG-CD1 4.32Å; P32-F81 HydrophobicContact CG-CD2 4.32Å; P32-F81 HydrophobicContact CG-CE1 4.15Å; P32-F81 HydrophobicContact CG-CE2 4.18Å; P32-F81 HydrophobicContact CG-CG 4.42Å; P32-F81 HydrophobicContact CG-CZ 4.1Å; G79-F81 PolarHBondContact O-N 3.03Å; G79-F81 VanDerWaalsContact O-N 3.16Å; F81-T83 PolarHBondContact O-N 2.78Å; F81-L84 HydrophobicContact CB-CB 4.49Å; F81-L84 HydrophobicContact CD1-CD2 3.79Å; F81-L84 WeakPolarHBondContact O-CB 3.48Å; F81-L84 PolarHBondContact O-N 3.18Å
82G91.5Very high93.4Very high5 Ų550.7 Ų50.75%0.05229%0.291CS..G310 helixtrans-60.4-30.4-17600000114V76 G79 L84V76-G82 VanDerWaalsContact O-CA 3.24Å; V76-G82 WeakPolarHBondContact O-CA 3.33Å; G79-G82 PolarHBondContact O-N 3.49Å; G82-L84 VanDerWaalsContact C-N 3.27Å; G82-L84 PolarHBondContact O-N 3.29Å
83T92.6Very high93.5Very high115 Ų11550.8 Ų50.871%0.70629%0.294SS*.G310 helixtrans-76.4-12.1177.453.10000114.2P32 F81P32-T83 PolarHBondContact O-OG1 3.17Å; P32-T83 VanDerWaalsContact O-OG1 3.06Å; F81-T83 PolarHBondContact O-N 2.78Å
84L94.1Very high93.4Very high9 Ų957.9 Ų57.95%0.04733%0.327CS..G310 helixtrans-75.7-30.1-178.1-174.763.7000111.5I30 Y51 Y59 P61 F81 G82I30-L84 HydrophobicContact CG2-CD1 4.49Å; Y51-L84 HydrophobicContact CE1-CD2 4.35Å; Y59-L84 WeakPolarHBondContact O-CD1 3.46Å; P61-L84 VanDerWaalsContact CD-CG 3.43Å; P61-L84 WeakPolarHBondContact CD-O 3.48Å; P61-L84 HydrophobicContact CG-CD2 3.56Å; P61-L84 HydrophobicContact CG-CG 3.64Å; F81-L84 HydrophobicContact CB-CB 4.49Å; F81-L84 HydrophobicContact CD1-CD2 3.79Å; F81-L84 WeakPolarHBondContact O-CB 3.48Å; F81-L84 PolarHBondContact O-N 3.18Å; G82-L84 VanDerWaalsContact C-N 3.27Å; G82-L84 PolarHBondContact O-N 3.29Å
85F95.3Very high93.3Very high11 Ų1155.5 Ų55.55%0.04832%0.319CS..SBendtrans-73144.9-178.5-62.6-70.7000112.6W21 P61 A63 L65 V76 P87 F90W21-F85 HydrophobicContact CB-CE1 4.33Å; W21-F85 HydrophobicContact CB-CZ 3.86Å; W21-F85 AromaticContact CD1-CE1 3.42Å; W21-F85 VanDerWaalsContact CD1-CE1 3.42Å; W21-F85 AromaticContact CD1-CZ 3.45Å; W21-F85 VanDerWaalsContact CD1-CZ 3.45Å; W21-F85 HydrophobicContact CD2-CE1 4.16Å; W21-F85 AromaticContact CG-CE1 3.72Å; W21-F85 HydrophobicContact CG-CE1 3.72Å; W21-F85 AromaticContact CG-CZ 3.69Å; W21-F85 HydrophobicContact CG-CZ 3.69Å; W21-F85 AromaticContact NE1-CE1 3.71Å; P61-F85 HydrophobicContact CB-CD1 3.92Å; P61-F85 HydrophobicContact CB-CE1 3.95Å; P61-F85 HydrophobicContact CG-CD1 4.14Å; P61-F85 HydrophobicContact CG-CE1 4.14Å; A63-F85 HydrophobicContact CB-CD1 3.9Å; A63-F85 HydrophobicContact CB-CE1 3.82Å; L65-F85 HydrophobicContact CD1-CB 4.28Å; L65-F85 HydrophobicContact CD1-CD1 3.86Å; L65-F85 HydrophobicContact CD1-CE1 4.41Å; L65-F85 HydrophobicContact CD1-CG 4.06Å; V76-F85 HydrophobicContact CG1-CD2 4.3Å; V76-F85 HydrophobicContact CG1-CE2 4.09Å; F85-P87 WeakPolarHBondContact O-CD 3.45Å; F85-F90 HydrophobicContact CB-CE2 3.57Å; F85-F90 HydrophobicContact CB-CZ 3.7Å; F85-F90 HydrophobicContact CD2-CZ 4.35Å; F85-F90 HydrophobicContact CG-CZ 4.32Å
86R94.4Very high93.2Very high84 Ų8452.6 Ų52.632%0.31730%0.302SS..  trans-66125.4174.3-170.2-174.3-64.4-94.51109.7V60 D88 N89 F90 E123V60-R86 HydrophobicContact CG1-CB 4.26Å; R86-D88 HydrophobicContact CG-CB 4.15Å; R86-D88 PolarHBondContact O-N 3.44Å; R86-N89 HydrophobicContact CB-CB 4.32Å; R86-N89 WeakPolarHBondContact CD-OD1 3.28Å; R86-N89 PolarHBondContact O-N 2.76Å; R86-F90 VanDerWaalsContact O-CD2 3.31Å; R86-F90 WeakPolarHBondContact O-CD2 3.48Å; R86-E123 IonicContact NE-OE1 3.32Å
87P93.9Very high93.1Very high93 Ų9352.2 Ų52.260%0.60430%0.3SS*.G310 helixtrans-56.4-35.5179-28.336.3000114F85 N89 F90F85-P87 WeakPolarHBondContact O-CD 3.45Å; P87-N89 PolarHBondContact O-N 2.91Å; P87-F90 WeakPolarHBondContact O-CD2 3.47Å; P87-F90 PolarHBondContact O-N 3.44Å
88D94.6Very high93Very high97 Ų9749.8 Ų49.852%0.51931%0.308SS..G310 helixtrans-64.6-20.1178.2-58.1-7000113.5R86 F90 K122R86-D88 HydrophobicContact CG-CB 4.15Å; R86-D88 PolarHBondContact O-N 3.44Å; D88-F90 VanDerWaalsContact C-N 3.33Å; D88-K122 IonicContact OD2-NZ 3.17Å; D88-K122 PolarHBondContact OD2-NZ 3.14Å
89N96.1Very high92.9Very high1 Ų148.7 Ų48.71%0.00529%0.29CS..G310 helixtrans-93.36.6-176.3-65.513.1000112.7A63 L65 R86 P87 V119 E123A63-N89 VanDerWaalsContact O-CB 3.25Å; A63-N89 WeakPolarHBondContact O-CB 3.36Å; A63-N89 PolarHBondContact O-ND2 3.27Å; L65-N89 PolarHBondContact N-O 3.03Å; R86-N89 HydrophobicContact CB-CB 4.32Å; R86-N89 WeakPolarHBondContact CD-OD1 3.28Å; R86-N89 PolarHBondContact O-N 2.76Å; P87-N89 PolarHBondContact O-N 2.91Å; N89-V119 HydrophobicContact CB-CG1 4.31Å; N89-E123 PolarHBondContact ND2-OE1 3.12Å
90F96Very high93Very high17 Ų1747.9 Ų47.98%0.07528%0.279CS..EExtended strand (participates in β ladder)trans-91110.9170.7-71.1-101.8000109.3L65 M73 V76 R77 F85 R86 P87 D88 F92L65-F90 HydrophobicContact CB-CD1 4.35Å; L65-F90 HydrophobicContact CD1-CZ 4.4Å; L65-F90 HydrophobicContact CD2-CE1 3.97Å; L65-F90 HydrophobicContact CD2-CZ 4.34Å; M73-F90 HydrophobicContact CB-CD1 4.21Å; M73-F90 HydrophobicContact CG-CD1 4.35Å; M73-F90 HydrophobicContact SD-CD1 3.63Å; M73-F90 HydrophobicContact SD-CE1 4.35Å; V76-F90 HydrophobicContact CG1-CE1 4.4Å; R77-F90 HydrophobicContact CG-CD1 4.49Å; R77-F90 HydrophobicContact CG-CE1 3.74Å; R77-F90 HydrophobicContact CG-CZ 3.88Å; F85-F90 HydrophobicContact CB-CE2 3.57Å; F85-F90 HydrophobicContact CB-CZ 3.7Å; F85-F90 HydrophobicContact CD2-CZ 4.35Å; F85-F90 HydrophobicContact CG-CZ 4.32Å; R86-F90 VanDerWaalsContact O-CD2 3.31Å; R86-F90 WeakPolarHBondContact O-CD2 3.48Å; P87-F90 WeakPolarHBondContact O-CD2 3.47Å; P87-F90 PolarHBondContact O-N 3.44Å; D88-F90 VanDerWaalsContact C-N 3.33Å; F90-F92 HydrophobicContact CB-CD1 4.49Å
91I95.8Very high93.2Very high15 Ų1544.5 Ų44.58%0.07726%0.257CS..EExtended strand (participates in β ladder)trans-121.4112.8-175.6-51.8173.2000107.3I64 L65 V66 D67 L112 N115 V116 V119I64-I91 HydrophobicContact CG2-CD1 3.9Å; L65-I91 PolarHBondContact O-N 3.43Å; V66-I91 WeakPolarHBondContact CA-O 2.71Å; D67-I91 PolarHBondContact N-O 2.82Å; I91-L112 HydrophobicContact CG2-CD1 3.82Å; I91-L112 HydrophobicContact CG2-CD2 4.43Å; I91-L112 HydrophobicContact CG2-CG 4.09Å; I91-N115 HydrophobicContact CG2-CB 4.12Å; I91-V116 HydrophobicContact CB-CG2 4.2Å; I91-V116 HydrophobicContact CD1-CB 4.18Å; I91-V116 HydrophobicContact CD1-CG1 4.38Å; I91-V116 HydrophobicContact CD1-CG2 4.04Å; I91-V116 HydrophobicContact CG2-CG2 3.71Å; I91-V119 HydrophobicContact CD1-CB 3.72Å; I91-V119 HydrophobicContact CD1-CG1 4.33Å; I91-V119 HydrophobicContact CD1-CG2 3.49Å; I91-V119 VanDerWaalsContact CD1-CG2 3.49Å; I91-V119 HydrophobicContact CG1-CG2 4.27Å
92F94.4Very high93.4Very high76 Ų7643 Ų4333%0.33325%0.251SS..EExtended strand (participates in β ladder)trans-139.4145.2-174.359.1-86.1000114D67 P70 M73 F90D67-F92 CarbonylContact O-C 3.51Å; D67-F92 WeakPolarHBondContact O-CA 3.26Å; D67-F92 WeakPolarHBondContact O-CB 3.31Å; P70-F92 HydrophobicContact CB-CD2 3.95Å; P70-F92 HydrophobicContact CB-CE2 4.33Å; M73-F92 HydrophobicContact CG-CB 3.85Å; M73-F92 HydrophobicContact CG-CD1 3.88Å; M73-F92 HydrophobicContact CG-CG 4Å; F90-F92 HydrophobicContact CB-CD1 4.49Å
93G92.3Very high93.6Very high12 Ų1245.9 Ų45.912%0.12426%0.262CS..  trans-80.3-179.9172.900000112.7D67 L68D67-G93 PolarHBondContact O-N 2.93Å; L68-G93 CarbonylContact O-C 3.42Å; L68-G93 VanDerWaalsContact O-C 3.25Å; L68-G93 WeakPolarHBondContact O-CA 3.41Å
94Q90.2Very high93.7Very high152 Ų15240.4 Ų40.471%0.7123%0.228SC*.SBendtrans-105.8-16.2170.1-62.9-62.7-40.200112.2
95S88.8Confident93.9Very high53 Ų5340.7 Ų40.737%0.37123%0.229SC..SBendtrans-121.2122.3-174.1-61.50000109.4L68 E108L68-S95 CarbonylContact C-O 3.57Å; L68-S95 WeakPolarHBondContact CB-O 3.47Å; L68-S95 CarbonylContact O-C 3.6Å; L68-S95 VanDerWaalsContact O-C 3.29Å; L68-S95 PolarHBondContact O-N 3.09Å; S95-E108 WeakPolarHBondContact CB-OE2 3.32Å
96G89.6Confident93.9Very high26 Ų2644.6 Ų44.627%0.26824%0.244SC..  trans-73.5154.1174.600000113.5G98G96-G98 PolarHBondContact O-N 3.16Å
97A91.4Very high93.9Very high2 Ų242.3 Ų42.32%0.01724%0.24CC..  trans-70.1-16.4174.800000113.7L68 N99 N100 K103L68-A97 HydrophobicContact CD1-CB 3.93Å; A97-N99 PolarHBondContact O-N 2.85Å; A97-N100 VanDerWaalsContact O-CB 3.32Å; A97-N100 WeakPolarHBondContact O-CB 3.29Å; A97-N100 PolarHBondContact O-N 3.01Å; A97-N100 VanDerWaalsContact O-N 3.09Å; A97-K103 HydrophobicContact CB-CB 4.28Å
98G90.5Very high93.9Very high55 Ų5540.6 Ų40.657%0.56722%0.224SC*.THydrogen-bonded Turntrans59.340.4177.400000114.4G96 N100G96-G98 PolarHBondContact O-N 3.16Å; G98-N100 PolarHBondContact O-N 2.71Å
99N91.7Very high93.9Very high68 Ų6836 Ų3636%0.36420%0.199SC..THydrogen-bonded Turntrans58.125.2-174.2-61.9-41.2000115A97 T177 V179 N183A97-N99 PolarHBondContact O-N 2.85Å; N99-T177 HydrophobicContact CB-CG2 4.05Å; N99-V179 HydrophobicContact CB-CG2 4.22Å; N99-V179 WeakPolarHBondContact O-CG2 3.47Å; N99-N183 PolarHBondContact O-ND2 2.92Å
100N94.3Very high93.8Very high9 Ų937.7 Ų37.75%0.04821%0.213CC..  trans-106.3114175.2-173.2-19.2000110.4A97 G98 A102 K103 G104 G142 W414A97-N100 VanDerWaalsContact O-CB 3.32Å; A97-N100 WeakPolarHBondContact O-CB 3.29Å; A97-N100 PolarHBondContact O-N 3.01Å; A97-N100 VanDerWaalsContact O-N 3.09Å; G98-N100 PolarHBondContact O-N 2.71Å; N100-A102 VanDerWaalsContact C-N 3.34Å; N100-A102 PolarHBondContact O-N 3.44Å; N100-A102 WeakPolarHBondContact OD1-CB 3.47Å; N100-A102 PolarHBondContact OD1-N 2.96Å; N100-K103 HydrophobicContact CB-CB 4.12Å; N100-K103 HydrophobicContact CB-CD 4.24Å; N100-K103 HydrophobicContact CB-CG 4.04Å; N100-K103 PolarHBondContact O-N 3.23Å; N100-K103 PolarHBondContact OD1-N 3.01Å; N100-G104 PolarHBondContact O-N 2.91Å; N100-G142 WeakPolarHBondContact O-CA 3.34Å; N100-W414 PolarHBondContact ND2-O 3.18Å
101W96.8Very high93.8Very high3 Ų344.1 Ų44.11%0.01124%0.244CC..Hα-helixtrans-60.4-41.4177.3-176.5101.4000112.3K103 G104 H105 Y106 G146 N183 L186 S187 Q190 Y415 M420W101-K103 VanDerWaalsContact C-N 3.28Å; W101-K103 PolarHBondContact O-N 2.73Å; W101-G104 CarbonylContact O-C 3.29Å; W101-G104 WeakPolarHBondContact O-CA 3.25Å; W101-G104 PolarHBondContact O-N 3.1Å; W101-H105 HydrophobicContact CD2-CB 4.12Å; W101-H105 HydrophobicContact CE3-CB 3.84Å; W101-H105 HydrophobicContact CH2-CB 3.73Å; W101-H105 AromaticContact CH2-CD2 3.43Å; W101-H105 VanDerWaalsContact CH2-CD2 3.43Å; W101-H105 WeakPolarHBondContact CH2-CD2 3.23Å; W101-H105 AromaticContact CH2-CE1 3.93Å; W101-H105 AromaticContact CH2-CG 3.3Å; W101-H105 AromaticContact CH2-ND1 3.63Å; W101-H105 AromaticContact CH2-NE2 3.83Å; W101-H105 HydrophobicContact CZ2-CB 4.02Å; W101-H105 AromaticContact CZ2-CE1 3.87Å; W101-H105 AromaticContact CZ2-CG 3.58Å; W101-H105 AromaticContact CZ2-ND1 3.45Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.32Å; W101-H105 HydrophobicContact CZ3-CB 3.64Å; W101-H105 AromaticContact CZ3-CD2 3.94Å; W101-H105 AromaticContact CZ3-CG 3.74Å; W101-H105 WeakPolarHBondContact O-CB 3.3Å; W101-H105 PolarHBondContact O-N 3.04Å; W101-Y106 HydrophobicContact CH2-CE2 4.4Å; W101-Y106 HydrophobicContact CZ3-CD2 4.39Å; W101-Y106 AromaticContact CZ3-CE2 3.71Å; W101-Y106 HydrophobicContact CZ3-CE2 3.71Å; W101-G146 VanDerWaalsContact CD1-CA 3.48Å; W101-N183 HydrophobicContact CB-CB 4.12Å; W101-N183 VanDerWaalsContact CB-OD1 3.23Å; W101-N183 WeakPolarHBondContact CB-OD1 3.47Å; W101-N183 PolarHBondContact N-OD1 3.01Å; W101-L186 HydrophobicContact CB-CD1 4.32Å; W101-L186 HydrophobicContact CD2-CB 3.75Å; W101-L186 HydrophobicContact CD2-CD1 3.91Å; W101-L186 HydrophobicContact CD2-CG 4.47Å; W101-L186 HydrophobicContact CE3-CB 4.15Å; W101-L186 HydrophobicContact CE3-CD1 3.71Å; W101-L186 HydrophobicContact CE3-CG 4.47Å; W101-L186 HydrophobicContact CG-CB 4.1Å; W101-L186 HydrophobicContact CG-CD1 4.18Å; W101-L186 HydrophobicContact CH2-CB 4.42Å; W101-L186 HydrophobicContact CZ2-CB 4.04Å; W101-L186 HydrophobicContact CZ3-CB 4.45Å; W101-L186 HydrophobicContact CZ3-CD1 4.32Å; W101-S187 PolarHBondContact NE1-OG 2.84Å; W101-Q190 HydrophobicContact CZ2-CG 4.1Å; W101-Y415 HydrophobicContact CB-CE1 3.99Å; W101-M420 HydrophobicContact CE3-SD 4.49Å; W101-M420 HydrophobicContact CZ3-SD 4.44Å
102A96.7Very high93.7Very high0 Ų044.2 Ų44.20%024%0.244CC..Hα-helixtrans-64.4-33.9-178.700000111.9N100 H105 Y106 Y415 E418 M420N100-A102 VanDerWaalsContact C-N 3.34Å; N100-A102 PolarHBondContact O-N 3.44Å; N100-A102 WeakPolarHBondContact OD1-CB 3.47Å; N100-A102 PolarHBondContact OD1-N 2.96Å; A102-H105 PolarHBondContact O-N 3.09Å; A102-Y106 HydrophobicContact CB-CD2 4.3Å; A102-Y106 WeakPolarHBondContact O-CB 3.27Å; A102-Y106 PolarHBondContact O-N 3.44Å; A102-Y415 HydrophobicContact CB-CD1 3.96Å; A102-Y415 HydrophobicContact CB-CG 4.46Å; A102-E418 HydrophobicContact CB-CB 3.8Å; A102-E418 HydrophobicContact CB-CG 4.25Å; A102-M420 HydrophobicContact CB-CB 4.47Å; A102-M420 HydrophobicContact CB-SD 4.4Å
103K95.6Very high93.8Very high65 Ų6541 Ų4128%0.28323%0.23SC..Hα-helixtrans-62.6-44.1171.3-77.3-168168.6-163.70113.1A97 N100 W101 H105 T107 E108 G109 E418A97-K103 HydrophobicContact CB-CB 4.28Å; N100-K103 HydrophobicContact CB-CB 4.12Å; N100-K103 HydrophobicContact CB-CD 4.24Å; N100-K103 HydrophobicContact CB-CG 4.04Å; N100-K103 PolarHBondContact O-N 3.23Å; N100-K103 PolarHBondContact OD1-N 3.01Å; W101-K103 VanDerWaalsContact C-N 3.28Å; W101-K103 PolarHBondContact O-N 2.73Å; K103-H105 VanDerWaalsContact C-N 3.3Å; K103-T107 VanDerWaalsContact CA-OG1 3.29Å; K103-T107 WeakPolarHBondContact CA-OG1 3.16Å; K103-T107 CarbonylContact O-C 3.45Å; K103-T107 PolarHBondContact O-N 3.08Å; K103-T107 PolarHBondContact O-OG1 2.85Å; K103-E108 PolarHBondContact O-N 2.98Å; K103-G109 PolarHBondContact O-N 3.21Å; K103-E418 VanDerWaalsContact CE-CD 3.43Å; K103-E418 WeakPolarHBondContact CE-OE1 3.36Å; K103-E418 HydrophobicContact CG-CG 3.7Å; K103-E418 WeakPolarHBondContact CG-OE2 3.33Å; K103-E418 IonicContact NZ-OE1 2.86Å
104G96.4Very high94Very high0 Ų045 Ų450%025%0.249CC..Hα-helixtrans-66.9-32.2176.100000112.7N100 W101 G109 G146 M147N100-G104 PolarHBondContact O-N 2.91Å; W101-G104 CarbonylContact O-C 3.29Å; W101-G104 WeakPolarHBondContact O-CA 3.25Å; W101-G104 PolarHBondContact O-N 3.1Å; G104-G109 VanDerWaalsContact O-CA 3.23Å; G104-G109 WeakPolarHBondContact O-CA 3.39Å; G104-G146 CarbonylContact O-C 3.25Å; G104-M147 WeakPolarHBondContact O-CA 3.37Å; G104-M147 WeakPolarHBondContact O-CB 3.48Å; G104-M147 PolarHBondContact O-N 3.48Å
105H96.8Very high94.2Very high16 Ų1642.1 Ų42.17%0.07424%0.239CC..Hα-helixtrans-94.8-36.7-172-156.481.8000114.3W101 A102 K103 G146 T149 L150W101-H105 HydrophobicContact CD2-CB 4.12Å; W101-H105 HydrophobicContact CE3-CB 3.84Å; W101-H105 HydrophobicContact CH2-CB 3.73Å; W101-H105 AromaticContact CH2-CD2 3.43Å; W101-H105 VanDerWaalsContact CH2-CD2 3.43Å; W101-H105 WeakPolarHBondContact CH2-CD2 3.23Å; W101-H105 AromaticContact CH2-CE1 3.93Å; W101-H105 AromaticContact CH2-CG 3.3Å; W101-H105 AromaticContact CH2-ND1 3.63Å; W101-H105 AromaticContact CH2-NE2 3.83Å; W101-H105 HydrophobicContact CZ2-CB 4.02Å; W101-H105 AromaticContact CZ2-CE1 3.87Å; W101-H105 AromaticContact CZ2-CG 3.58Å; W101-H105 AromaticContact CZ2-ND1 3.45Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.32Å; W101-H105 HydrophobicContact CZ3-CB 3.64Å; W101-H105 AromaticContact CZ3-CD2 3.94Å; W101-H105 AromaticContact CZ3-CG 3.74Å; W101-H105 WeakPolarHBondContact O-CB 3.3Å; W101-H105 PolarHBondContact O-N 3.04Å; A102-H105 PolarHBondContact O-N 3.09Å; K103-H105 VanDerWaalsContact C-N 3.3Å; H105-G146 PolarHBondContact ND1-O 2.75Å; H105-T149 PolarHBondContact ND1-OG1 3.2Å; H105-L150 WeakPolarHBondContact O-CD2 3.4Å
106Y95.8Very high94.6Very high92 Ų9239.6 Ų39.636%0.36122%0.221SC..Hα-helixtrans-115.4-24.6-171.6-64.6-61.5000114.9W101 A102 M420 E424W101-Y106 HydrophobicContact CH2-CE2 4.4Å; W101-Y106 HydrophobicContact CZ3-CD2 4.39Å; W101-Y106 AromaticContact CZ3-CE2 3.71Å; W101-Y106 HydrophobicContact CZ3-CE2 3.71Å; A102-Y106 HydrophobicContact CB-CD2 4.3Å; A102-Y106 WeakPolarHBondContact O-CB 3.27Å; A102-Y106 PolarHBondContact O-N 3.44Å; Y106-M420 HydrophobicContact CE2-CB 4.37Å; Y106-M420 HydrophobicContact CE2-CG 4.19Å; Y106-E424 PolarHBondContact OH-OE2 3.25Å
107T94.7Very high95Very high36 Ų3638.6 Ų38.622%0.22121%0.21CC..SBendtrans-114.7-100.2-175.663.90000111.9K103 G109 A110 E111 E418K103-T107 VanDerWaalsContact CA-OG1 3.29Å; K103-T107 WeakPolarHBondContact CA-OG1 3.16Å; K103-T107 CarbonylContact O-C 3.45Å; K103-T107 PolarHBondContact O-N 3.08Å; K103-T107 PolarHBondContact O-OG1 2.85Å; T107-G109 VanDerWaalsContact C-N 3.29Å; T107-G109 PolarHBondContact O-N 3.14Å; T107-A110 WeakPolarHBondContact O-CB 3.45Å; T107-A110 PolarHBondContact O-N 2.98Å; T107-E111 PolarHBondContact O-N 2.76Å; T107-E111 VanDerWaalsContact O-N 3.1Å; T107-E418 HydrophobicContact CG2-CB 4.11Å; T107-E418 VanDerWaalsContact CG2-OE2 3.23Å; T107-E418 WeakPolarHBondContact CG2-OE2 3.43Å; T107-E418 PolarHBondContact OG1-OE2 2.96Å
108E93.8Very high95.3Very high58 Ų5842.9 Ų42.927%0.27123%0.232SC..Hα-helixtrans-55.6-40.7-173.7-61.2-73.8170.900113L68 S95 K103 E111 L112L68-E108 HydrophobicContact CD1-CB 4.11Å; L68-E108 HydrophobicContact CD2-CB 4.13Å; S95-E108 WeakPolarHBondContact CB-OE2 3.32Å; K103-E108 PolarHBondContact O-N 2.98Å; E108-E111 PolarHBondContact O-N 3.19Å; E108-L112 PolarHBondContact O-N 2.84Å
109G94.1Very high95.6Very high0 Ų041.3 Ų41.30%021%0.211CC..Hα-helixtrans-73.1-29.4177.500000113.9K103 G104 T107 E111 L112 V113K103-G109 PolarHBondContact O-N 3.21Å; G104-G109 VanDerWaalsContact O-CA 3.23Å; G104-G109 WeakPolarHBondContact O-CA 3.39Å; T107-G109 VanDerWaalsContact C-N 3.29Å; T107-G109 PolarHBondContact O-N 3.14Å; G109-E111 VanDerWaalsContact C-N 3.33Å; G109-L112 PolarHBondContact O-N 2.76Å; G109-V113 WeakPolarHBondContact O-CB 3.48Å; G109-V113 PolarHBondContact O-N 3.06Å
110A94.9Very high95.8Very high37 Ų3738 Ų3831%0.30619%0.194SC..Hα-helixtrans-70.8-29.7174.300000112.1T107 V113 L150T107-A110 WeakPolarHBondContact O-CB 3.45Å; T107-A110 PolarHBondContact O-N 2.98Å; A110-V113 WeakPolarHBondContact O-CG1 3.23Å; A110-L150 HydrophobicContact CB-CD2 4.14Å
111E95Very high96Very high152 Ų15241.1 Ų41.171%0.7121%0.205SC*.Hα-helixtrans-71.9-31.9172.7-65.2-174.3-178.700112.5T107 E108 G109T107-E111 PolarHBondContact O-N 2.76Å; T107-E111 VanDerWaalsContact O-N 3.1Å; E108-E111 PolarHBondContact O-N 3.19Å; G109-E111 VanDerWaalsContact C-N 3.33Å
112L95Very high96Very high17 Ų1745.7 Ų45.79%0.08923%0.225CC..Hα-helixtrans-89.4-23.4-177.4-16963.2000113.6L68 I91 E108 G109 D114 N115 V116 M147L68-L112 HydrophobicContact CD2-CB 4.17Å; L68-L112 HydrophobicContact CD2-CD2 3.77Å; I91-L112 HydrophobicContact CG2-CD1 3.82Å; I91-L112 HydrophobicContact CG2-CD2 4.43Å; I91-L112 HydrophobicContact CG2-CG 4.09Å; E108-L112 PolarHBondContact O-N 2.84Å; G109-L112 PolarHBondContact O-N 2.76Å; L112-D114 VanDerWaalsContact C-N 3.31Å; L112-D114 PolarHBondContact O-N 3.28Å; L112-N115 WeakPolarHBondContact O-CB 3.32Å; L112-N115 PolarHBondContact O-N 2.8Å; L112-V116 PolarHBondContact O-N 2.98Å; L112-M147 HydrophobicContact CB-CE 3.78Å; L112-M147 HydrophobicContact CD2-CE 3.85Å; L112-M147 HydrophobicContact CD2-SD 4.31Å; L112-M147 HydrophobicContact CG-CE 3.83Å
113V95.6Very high95.9Very high7 Ų745.8 Ų45.84%0.04223%0.225CC..Hα-helixtrans-59.4-37.3-170.773.60000113.4G109 A110 N115 V116 L117 L150 L151 K154G109-V113 WeakPolarHBondContact O-CB 3.48Å; G109-V113 PolarHBondContact O-N 3.06Å; A110-V113 WeakPolarHBondContact O-CG1 3.23Å; V113-N115 VanDerWaalsContact C-N 3.32Å; V113-N115 PolarHBondContact O-N 3.23Å; V113-V116 WeakPolarHBondContact O-CA 3.37Å; V113-V116 WeakPolarHBondContact O-CB 3.15Å; V113-V116 PolarHBondContact O-N 3.36Å; V113-L117 HydrophobicContact CG2-CD1 4.24Å; V113-L117 HydrophobicContact CG2-CG 4.33Å; V113-L117 WeakPolarHBondContact O-CG 3.32Å; V113-L117 PolarHBondContact O-N 2.84Å; V113-L150 HydrophobicContact CB-CD2 4.01Å; V113-L150 HydrophobicContact CG1-CD2 4.06Å; V113-L150 HydrophobicContact CG2-CD2 4.21Å; V113-L150 HydrophobicContact CG2-CG 4.28Å; V113-L151 HydrophobicContact CG2-CD1 4.02Å; V113-K154 HydrophobicContact CG2-CG 4.48Å
114D95.6Very high95.9Very high98 Ų9843.3 Ų43.352%0.52422%0.216SC..Hα-helixtrans-62.8-40.1-179.1-73.4-28.6000111.8L112 V116 L117 D118L112-D114 VanDerWaalsContact C-N 3.31Å; L112-D114 PolarHBondContact O-N 3.28Å; D114-V116 VanDerWaalsContact C-N 3.28Å; D114-V116 PolarHBondContact O-N 3.44Å; D114-L117 PolarHBondContact O-N 2.85Å; D114-D118 PolarHBondContact O-N 2.79Å
115N95.9Very high95.8Very high91 Ų9151.1 Ų51.149%0.48725%0.252SS..Hα-helixtrans-63.4-36.6174.6-65.2-35.6000111.4I91 L112 V113 V119I91-N115 HydrophobicContact CG2-CB 4.12Å; L112-N115 WeakPolarHBondContact O-CB 3.32Å; L112-N115 PolarHBondContact O-N 2.8Å; V113-N115 VanDerWaalsContact C-N 3.32Å; V113-N115 PolarHBondContact O-N 3.23Å; N115-V119 PolarHBondContact O-N 3.11Å
116V97Very high95.7Very high0 Ų053.2 Ų53.20%027%0.269CS..Hα-helixtrans-66.1-46.4175.2-176.30000110.9I64 V66 I91 L112 V113 D114 D118 V119 V120 M147 L151I64-V116 HydrophobicContact CG2-CG1 4.28Å; V66-V116 HydrophobicContact CB-CG2 4.49Å; V66-V116 HydrophobicContact CG1-CG2 3.75Å; V66-V116 HydrophobicContact CG2-CB 4.49Å; V66-V116 HydrophobicContact CG2-CG1 3.71Å; V66-V116 HydrophobicContact CG2-CG2 3.86Å; I91-V116 HydrophobicContact CB-CG2 4.2Å; I91-V116 HydrophobicContact CD1-CB 4.18Å; I91-V116 HydrophobicContact CD1-CG1 4.38Å; I91-V116 HydrophobicContact CD1-CG2 4.04Å; I91-V116 HydrophobicContact CG2-CG2 3.71Å; L112-V116 PolarHBondContact O-N 2.98Å; V113-V116 WeakPolarHBondContact O-CA 3.37Å; V113-V116 WeakPolarHBondContact O-CB 3.15Å; V113-V116 PolarHBondContact O-N 3.36Å; D114-V116 VanDerWaalsContact C-N 3.28Å; D114-V116 PolarHBondContact O-N 3.44Å; V116-D118 VanDerWaalsContact C-N 3.29Å; V116-D118 PolarHBondContact O-N 3.43Å; V116-V119 PolarHBondContact O-N 3.44Å; V116-V119 VanDerWaalsContact O-N 3.16Å; V116-V120 HydrophobicContact CG1-CG2 4.25Å; V116-V120 VanDerWaalsContact O-CG2 3.32Å; V116-V120 WeakPolarHBondContact O-CG2 3.07Å; V116-V120 PolarHBondContact O-N 3.05Å; V116-M147 HydrophobicContact CG2-CE 3.73Å; V116-L151 HydrophobicContact CB-CD1 4.24Å; V116-L151 HydrophobicContact CG1-CD1 3.73Å; V116-L151 HydrophobicContact CG1-CD2 3.82Å; V116-L151 HydrophobicContact CG1-CG 4.46Å
117L97.1Very high95.6Very high5 Ų549.7 Ų49.73%0.02626%0.258CS..Hα-helixtrans-61.4-36.7179.1-69.7170.4000112.2V113 D114 V119 V120 R121 L151 K154 I155V113-L117 HydrophobicContact CG2-CD1 4.24Å; V113-L117 HydrophobicContact CG2-CG 4.33Å; V113-L117 WeakPolarHBondContact O-CG 3.32Å; V113-L117 PolarHBondContact O-N 2.84Å; D114-L117 PolarHBondContact O-N 2.85Å; L117-V119 VanDerWaalsContact C-N 3.32Å; L117-V119 PolarHBondContact O-N 2.82Å; L117-V120 WeakPolarHBondContact O-CB 3.48Å; L117-V120 PolarHBondContact O-N 2.84Å; L117-R121 VanDerWaalsContact O-CG 3.3Å; L117-R121 WeakPolarHBondContact O-CG 3.34Å; L117-R121 PolarHBondContact O-N 2.84Å; L117-L151 HydrophobicContact CD2-CD1 3.86Å; L117-L151 HydrophobicContact CG-CD1 4.26Å; L117-K154 HydrophobicContact CD1-CB 3.82Å; L117-K154 HydrophobicContact CD1-CG 4.18Å; L117-K154 HydrophobicContact CD2-CB 4Å; L117-K154 HydrophobicContact CG-CB 4.47Å; L117-I155 HydrophobicContact CD2-CG1 4.04Å
118D97.2Very high95.5Very high91 Ų9153.5 Ų53.549%0.48728%0.277SS..Hα-helixtrans-61.4-39.2175.1-77-12.9000112.8D114 V116 R121 K122D114-D118 PolarHBondContact O-N 2.79Å; V116-D118 VanDerWaalsContact C-N 3.29Å; V116-D118 PolarHBondContact O-N 3.43Å; D118-R121 IonicContact OD1-NH1 3.4Å; D118-R121 PolarHBondContact OD1-NH1 2.84Å; D118-K122 WeakPolarHBondContact O-CB 3.05Å; D118-K122 PolarHBondContact O-N 3.24Å
119V97.2Very high95.5Very high22 Ų2254.1 Ų54.113%0.13329%0.286CS..Hα-helixtrans-73.5-37.7175179.90000111.3I64 N89 I91 N115 V116 L117 R121 K122 E123I64-V119 HydrophobicContact CD1-CB 4.48Å; I64-V119 HydrophobicContact CD1-CG1 3.95Å; I64-V119 HydrophobicContact CG1-CG1 3.95Å; I64-V119 HydrophobicContact CG2-CG1 4.28Å; N89-V119 HydrophobicContact CB-CG1 4.31Å; I91-V119 HydrophobicContact CD1-CB 3.72Å; I91-V119 HydrophobicContact CD1-CG1 4.33Å; I91-V119 HydrophobicContact CD1-CG2 3.49Å; I91-V119 VanDerWaalsContact CD1-CG2 3.49Å; I91-V119 HydrophobicContact CG1-CG2 4.27Å; N115-V119 PolarHBondContact O-N 3.11Å; V116-V119 PolarHBondContact O-N 3.44Å; V116-V119 VanDerWaalsContact O-N 3.16Å; L117-V119 VanDerWaalsContact C-N 3.32Å; L117-V119 PolarHBondContact O-N 2.82Å; V119-R121 VanDerWaalsContact C-N 3.3Å; V119-R121 PolarHBondContact O-N 2.86Å; V119-K122 PolarHBondContact O-N 3.39Å; V119-E123 PolarHBondContact O-N 2.88Å
120V97.3Very high95.5Very high0 Ų054.7 Ų54.70%029%0.289CS..Hα-helixtrans-58-44.2172.9172.80000110.6I7 I64 V116 L117 E123 S124 F133 I155 Y159I7-V120 HydrophobicContact CD1-CG2 3.99Å; I64-V120 HydrophobicContact CD1-CB 4.12Å; I64-V120 HydrophobicContact CD1-CG2 3.48Å; I64-V120 VanDerWaalsContact CD1-CG2 3.48Å; V116-V120 HydrophobicContact CG1-CG2 4.25Å; V116-V120 VanDerWaalsContact O-CG2 3.32Å; V116-V120 WeakPolarHBondContact O-CG2 3.07Å; V116-V120 PolarHBondContact O-N 3.05Å; L117-V120 WeakPolarHBondContact O-CB 3.48Å; L117-V120 PolarHBondContact O-N 2.84Å; V120-E123 PolarHBondContact O-N 3.15Å; V120-S124 VanDerWaalsContact O-CB 3.26Å; V120-S124 WeakPolarHBondContact O-CB 3.28Å; V120-S124 PolarHBondContact O-N 3.49Å; V120-S124 PolarHBondContact O-OG 2.85Å; V120-F133 HydrophobicContact CG1-CD1 4.3Å; V120-F133 HydrophobicContact CG1-CE1 3.53Å; V120-F133 HydrophobicContact CG1-CZ 4.11Å; V120-I155 HydrophobicContact CG1-CD1 4.35Å; V120-I155 HydrophobicContact CG1-CG1 4.39Å; V120-I155 HydrophobicContact CG2-CD1 4.42Å; V120-Y159 HydrophobicContact CG1-CE2 4.23Å
121R97.2Very high95.5Very high73 Ų7353.9 Ų53.928%0.27528%0.28SS..Hα-helixtrans-60.5-50.3175-73.4170.7-168.9123.311.8111.4L117 D118 V119 E123 S124 E125 E158L117-R121 VanDerWaalsContact O-CG 3.3Å; L117-R121 WeakPolarHBondContact O-CG 3.34Å; L117-R121 PolarHBondContact O-N 2.84Å; D118-R121 IonicContact OD1-NH1 3.4Å; D118-R121 PolarHBondContact OD1-NH1 2.84Å; V119-R121 VanDerWaalsContact C-N 3.3Å; V119-R121 PolarHBondContact O-N 2.86Å; R121-E123 VanDerWaalsContact C-N 3.34Å; R121-E123 PolarHBondContact O-N 2.95Å; R121-S124 PolarHBondContact O-N 2.82Å; R121-S124 VanDerWaalsContact O-N 3.1Å; R121-E125 WeakPolarHBondContact O-CB 3.41Å; R121-E125 WeakPolarHBondContact O-CG 3.47Å; R121-E125 PolarHBondContact O-N 3.47Å; R121-E158 WeakPolarHBondContact CD-OE1 3.25Å; R121-E158 VanDerWaalsContact CG-OE1 3.24Å; R121-E158 WeakPolarHBondContact CG-OE1 3.42Å; R121-E158 IonicContact CZ-OE1 3.69Å; R121-E158 IonicContact CZ-OE2 3.35Å; R121-E158 VanDerWaalsContact NE-CD 3.34Å; R121-E158 IonicContact NE-OE1 2.74Å; R121-E158 PolarHBondContact NE-OE1 3.1Å; R121-E158 IonicContact NE-OE2 3.13Å; R121-E158 PolarHBondContact NE-OE2 2.98Å; R121-E158 VanDerWaalsContact NE-OE2 3.13Å; R121-E158 IonicContact NH2-OE1 3.72Å; R121-E158 IonicContact NH2-OE2 2.76Å; R121-E158 PolarHBondContact NH2-OE2 3.24Å
122K96.6Very high95.5Very high99 Ų9946.7 Ų46.743%0.4325%0.246SC..Hα-helixtrans-57-44.1179.3-178.3-177.7175.2-174.40112.6D88 D118 V119 S126D88-K122 IonicContact OD2-NZ 3.17Å; D88-K122 PolarHBondContact OD2-NZ 3.14Å; D118-K122 WeakPolarHBondContact O-CB 3.05Å; D118-K122 PolarHBondContact O-N 3.24Å; V119-K122 PolarHBondContact O-N 3.39Å; K122-S126 PolarHBondContact O-N 2.84Å
123E96.1Very high95.6Very high3 Ų346 Ų461%0.01424%0.242CC..Hα-helixtrans-71-37.7176.2-70.5-68.116100111.4V5 N52 R62 I64 R86 N89 V119 V120 R121 S126 C127V5-E123 HydrophobicContact CG1-CB 4.48Å; V5-E123 HydrophobicContact CG2-CB 4.19Å; N52-E123 PolarHBondContact ND2-OE2 3.43Å; R62-E123 PolarHBondContact NH1-O 3.11Å; R62-E123 IonicContact NH1-OE2 2.92Å; R62-E123 PolarHBondContact NH1-OE2 2.88Å; I64-E123 HydrophobicContact CD1-CG 4.42Å; R86-E123 IonicContact NE-OE1 3.32Å; N89-E123 PolarHBondContact ND2-OE1 3.12Å; V119-E123 PolarHBondContact O-N 2.88Å; V120-E123 PolarHBondContact O-N 3.15Å; R121-E123 VanDerWaalsContact C-N 3.34Å; R121-E123 PolarHBondContact O-N 2.95Å; E123-S126 PolarHBondContact O-N 2.99Å; E123-S126 PolarHBondContact O-OG 3.46Å; E123-C127 PolarHBondContact O-SG 3.47Å
124S95.2Very high95.7Very high12 Ų1245.8 Ų45.88%0.08424%0.241CC..Hα-helixtrans-65.6-39.8178-60.50000112.6V120 R121 S126 C127V120-S124 VanDerWaalsContact O-CB 3.26Å; V120-S124 WeakPolarHBondContact O-CB 3.28Å; V120-S124 PolarHBondContact O-N 3.49Å; V120-S124 PolarHBondContact O-OG 2.85Å; R121-S124 PolarHBondContact O-N 2.82Å; R121-S124 VanDerWaalsContact O-N 3.1Å; S124-S126 PolarHBondContact O-N 3.27Å; S124-C127 WeakPolarHBondContact O-CB 3.43Å; S124-C127 PolarHBondContact O-N 2.85Å
125E94.8Very high95.8Very high164 Ų16441.3 Ų41.377%0.76622%0.217SC*.Hα-helixtrans-66.8-23175.6-73-179.5171.500113R121 C127R121-E125 WeakPolarHBondContact O-CB 3.41Å; R121-E125 WeakPolarHBondContact O-CG 3.47Å; R121-E125 PolarHBondContact O-N 3.47Å; E125-C127 VanDerWaalsContact C-N 3.31Å
126S93Very high95.9Very high61 Ų6137 Ų3743%0.42719%0.194SC..THydrogen-bonded Turntrans-88.56.4175.282.50000113.7R62 K122 E123 S124R62-S126 PolarHBondContact NH1-OG 2.96Å; R62-S126 PolarHBondContact NH2-O 3.33Å; R62-S126 VanDerWaalsContact NH2-O 3.14Å; K122-S126 PolarHBondContact O-N 2.84Å; E123-S126 PolarHBondContact O-N 2.99Å; E123-S126 PolarHBondContact O-OG 3.46Å; S124-S126 PolarHBondContact O-N 3.27Å
127C94.4Very high95.9Very high18 Ų1837.1 Ų37.112%0.12219%0.194CC..  trans-92.1141.1173.3-63.50000110.8E3 R62 E123 S124 E125 L130E3-C127 HydrophobicContact CB-CB 3.98Å; E3-C127 VanDerWaalsContact CB-SG 3.53Å; E3-C127 HydrophobicContact CG-CB 4.11Å; R62-C127 PolarHBondContact NH1-SG 3.47Å; R62-C127 PolarHBondContact NH2-SG 3.31Å; R62-C127 VanDerWaalsContact NH2-SG 3.44Å; E123-C127 PolarHBondContact O-SG 3.47Å; S124-C127 WeakPolarHBondContact O-CB 3.43Å; S124-C127 PolarHBondContact O-N 2.85Å; E125-C127 VanDerWaalsContact C-N 3.31Å; C127-L130 HydrophobicContact CB-CB 4.03Å
128D93.5Very high95.9Very high116 Ų11637.8 Ų37.862%0.6220%0.199SC*.SBendtrans-73.9-42171.4-73.4-9000111.7M1 E3M1-D128 HydrophobicContact CB-CB 4.18Å; M1-D128 WeakPolarHBondContact CE-OD2 3.36Å; E3-D128 PolarHBondContact OE2-N 2.95Å
129C92.9Very high95.8Very high70 Ų7033.6 Ų33.647%0.47318%0.177SC..SBendtrans-153.691170.8-179.80000110.2M1 R2 E3 Q131M1-C129 WeakPolarHBondContact O-CB 3.29Å; M1-C129 PolarHBondContact O-N 3.45Å; M1-C129 VanDerWaalsContact O-O 3.11Å; R2-C129 WeakPolarHBondContact CA-O 3.36Å; E3-C129 PolarHBondContact N-O 2.66Å; E3-C129 PolarHBondContact OE2-N 2.92Å; E3-C129 VanDerWaalsContact OE2-O 3.06Å; C129-Q131 PolarHBondContact O-N 3Å
130L95.1Very high95.6Very high12 Ų1232.9 Ų32.96%0.06317%0.174CC..EExtended strand (participates in β ladder)trans-54.6121.6176.5179.466.7000111.3V5 C127 F133 Y159 R162V5-L130 HydrophobicContact CB-CD1 4.43Å; V5-L130 HydrophobicContact CG2-CD1 3.72Å; C127-L130 HydrophobicContact CB-CB 4.03Å; L130-F133 HydrophobicContact CD2-CE1 4.27Å; L130-F133 HydrophobicContact CD2-CE2 4.08Å; L130-F133 HydrophobicContact CD2-CZ 3.66Å; L130-Y159 HydrophobicContact CD2-CD1 4.5Å; L130-R162 HydrophobicContact CD2-CG 4.2Å; L130-R162 WeakPolarHBondContact O-CD 3.23Å; L130-R162 PolarHBondContact O-NH1 2.7Å
131Q93.1Very high95.3Very high21 Ų2133.4 Ų33.410%0.09818%0.18CC..EExtended strand (participates in β ladder)trans-75.4-43.3172.6-64.2-170.366.200111.7R2 E3 I4 C129 I163 D248 L249R2-Q131 HydrophobicContact CB-CG 3.72Å; R2-Q131 HydrophobicContact CG-CG 4.36Å; R2-Q131 PolarHBondContact O-NE2 3.46Å; E3-Q131 WeakPolarHBondContact O-CB 3.19Å; E3-Q131 PolarHBondContact O-N 3.45Å; I4-Q131 HydrophobicContact CG1-CB 4.13Å; C129-Q131 PolarHBondContact O-N 3Å; Q131-I163 PolarHBondContact O-N 3.4Å; Q131-D248 VanDerWaalsContact OE1-CA 3.23Å; Q131-L249 HydrophobicContact CB-CD1 4.29Å; Q131-L249 VanDerWaalsContact OE1-N 3.07Å
132G95.5Very high95.2Very high0 Ų030.1 Ų30.10%017%0.168CC..EExtended strand (participates in β ladder)trans165.6-172.5-166.700000114.2V5 I163V5-G132 PolarHBondContact N-O 3.48Å; V5-G132 VanDerWaalsContact N-O 3.15Å; G132-I163 CarbonylContact C-O 3.56Å; G132-I163 WeakPolarHBondContact CA-O 3.27Å
133F97.6Very high95.2Very high2 Ų225.9 Ų25.91%0.00915%0.151CC..EExtended strand (participates in β ladder)trans-117142.3-177.9-57-85.7000110.1V5 I7 V120 L130 I155 Y159 R162 I163 M164 T165V5-F133 HydrophobicContact CB-CD1 3.71Å; V5-F133 HydrophobicContact CB-CE1 3.93Å; V5-F133 HydrophobicContact CG1-CD1 4Å; V5-F133 HydrophobicContact CG1-CE1 4.2Å; V5-F133 HydrophobicContact CG2-CE1 4.28Å; V5-F133 VanDerWaalsContact O-CA 3.32Å; V5-F133 WeakPolarHBondContact O-CA 3.45Å; I7-F133 HydrophobicContact CD1-CD1 4.26Å; V120-F133 HydrophobicContact CG1-CD1 4.3Å; V120-F133 HydrophobicContact CG1-CE1 3.53Å; V120-F133 HydrophobicContact CG1-CZ 4.11Å; L130-F133 HydrophobicContact CD2-CE1 4.27Å; L130-F133 HydrophobicContact CD2-CE2 4.08Å; L130-F133 HydrophobicContact CD2-CZ 3.66Å; F133-I155 HydrophobicContact CD1-CD1 4.39Å; F133-I155 HydrophobicContact CD1-CG2 4.3Å; F133-I155 HydrophobicContact CD2-CG2 3.31Å; F133-I155 HydrophobicContact CE1-CG2 4.34Å; F133-I155 HydrophobicContact CE2-CG2 3.32Å; F133-I155 HydrophobicContact CG-CG2 3.82Å; F133-I155 HydrophobicContact CZ-CG2 3.86Å; F133-Y159 AromaticContact CE2-CD2 3.84Å; F133-Y159 HydrophobicContact CE2-CD2 3.84Å; F133-Y159 AromaticContact CE2-CG 3.79Å; F133-Y159 HydrophobicContact CE2-CG 3.79Å; F133-Y159 HydrophobicContact CZ-CD1 4.32Å; F133-Y159 AromaticContact CZ-CD2 3.59Å; F133-Y159 HydrophobicContact CZ-CD2 3.59Å; F133-Y159 AromaticContact CZ-CE2 3.89Å; F133-Y159 HydrophobicContact CZ-CE2 3.89Å; F133-Y159 AromaticContact CZ-CG 3.82Å; F133-Y159 HydrophobicContact CZ-CG 3.82Å; F133-R162 HydrophobicContact CD2-CB 4.43Å; F133-R162 HydrophobicContact CE2-CB 4.11Å; F133-R162 HydrophobicContact CE2-CG 4.45Å; F133-I163 PolarHBondContact N-O 2.74Å; F133-M164 HydrophobicContact CB-CE 3.72Å; F133-M164 HydrophobicContact CB-SD 3.94Å; F133-M164 HydrophobicContact CD2-CE 4.06Å; F133-M164 HydrophobicContact CG-CE 4.13Å; F133-T165 PolarHBondContact O-N 3.43Å
134Q97.2Very high95.1Very high4 Ų425.9 Ų25.92%0.01915%0.151CC..EExtended strand (participates in β ladder)trans-121.9107.9175.2-176.8-174.2-7.900109.9I4 V5 H6 I7 Y50 T165 F167I4-Q134 HydrophobicContact CG2-CB 3.95Å; V5-Q134 PolarHBondContact O-N 3.12Å; H6-Q134 CarbonylContact C-O 3.56Å; H6-Q134 WeakPolarHBondContact CA-O 3.42Å; H6-Q134 PolarHBondContact ND1-O 3.21Å; I7-Q134 PolarHBondContact N-O 3.08Å; Y50-Q134 VanDerWaalsContact CE1-OE1 3.28Å; Y50-Q134 PolarHBondContact OH-OE1 3.44Å; Q134-T165 CarbonylContact C-O 3.59Å; Q134-T165 VanDerWaalsContact CA-O 3.3Å; Q134-T165 WeakPolarHBondContact CA-O 3.4Å; Q134-F167 HydrophobicContact CG-CD2 3.76Å; Q134-F167 HydrophobicContact CG-CE2 3.62Å; Q134-F167 VanDerWaalsContact NE2-CD2 3.33Å
135L98Very high95.2Very high4 Ų425.3 Ų25.32%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-94.7135.2177.3-178.167000111.7I7 A9 H137 I152 T165 T166 F167I7-L135 HydrophobicContact CB-CD1 3.81Å; I7-L135 HydrophobicContact CG2-CD1 3.64Å; I7-L135 CarbonylContact O-C 3.59Å; I7-L135 WeakPolarHBondContact O-CA 3.48Å; A9-L135 HydrophobicContact CB-CD1 3.99Å; L135-H137 HydrophobicContact CD2-CB 4.42Å; L135-H137 WeakPolarHBondContact CD2-ND1 3.32Å; L135-H137 HydrophobicContact CG-CB 4.33Å; L135-I152 HydrophobicContact CD2-CD1 3.66Å; L135-I152 HydrophobicContact CD2-CG1 3.71Å; L135-T165 PolarHBondContact N-O 3.16Å; L135-T166 HydrophobicContact CB-CG2 4.23Å; L135-T166 CarbonylContact O-C 3.54Å; L135-T166 WeakPolarHBondContact O-CA 3.33Å; L135-F167 PolarHBondContact O-N 3.02Å
136T98.1Very high95.3Very high1 Ų117.5 Ų17.51%0.00611%0.11CC..EExtended strand (participates in β ladder)trans-113124.316648.10000109.9I7 Q8 A9 G13 I16 F167 M232I7-T136 PolarHBondContact O-N 3.37Å; I7-T136 PolarHBondContact O-OG1 3Å; Q8-T136 WeakPolarHBondContact CG-OG1 3.4Å; A9-T136 PolarHBondContact N-O 2.91Å; G13-T136 VanDerWaalsContact CA-O 3.28Å; G13-T136 WeakPolarHBondContact CA-O 3.28Å; G13-T136 PolarHBondContact O-OG1 2.92Å; I16-T136 HydrophobicContact CG2-CG2 4.46Å; T136-F167 HydrophobicContact CG2-CB 3.94Å; T136-F167 HydrophobicContact CG2-CD2 4.48Å; T136-F167 HydrophobicContact CG2-CG 4.48Å; T136-M232 HydrophobicContact CG2-CE 3.31Å; T136-M232 HydrophobicContact CG2-SD 4.08Å
137H97.8Very high95.5Very high1 Ų114.7 Ų14.71%0.0059%0.091CC..EExtended strand (participates in β ladder)trans-159.1172.2-176.769.1172.6000112.2A9 L135 G144 F167 S168 V169A9-H137 HydrophobicContact CB-CB 4.31Å; L135-H137 HydrophobicContact CD2-CB 4.42Å; L135-H137 WeakPolarHBondContact CD2-ND1 3.32Å; L135-H137 HydrophobicContact CG-CB 4.33Å; H137-G144 WeakPolarHBondContact CB-O 3.34Å; H137-G144 PolarHBondContact ND1-O 3.19Å; H137-F167 PolarHBondContact N-O 3.14Å; H137-S168 PolarHBondContact CD2-OG 3.43Å; H137-S168 PolarHBondContact NE2-OG 3.12Å; H137-V169 PolarHBondContact O-N 3.15Å
138S96Very high95.6Very high19 Ų1913.9 Ų13.913%0.1339%0.085CC..EExtended strand (participates in β ladder)trans-115.6139.4171.358.90000110.8G144 S145 V169S138-G144 CarbonylContact O-C 3.45Å; S138-S145 WeakPolarHBondContact O-CB 3.34Å; S138-S145 PolarHBondContact O-N 2.73Å; S138-V169 WeakPolarHBondContact CA-O 3.49Å
139L95.7Very high95.8Very high4 Ų48.3 Ų8.32%0.0216%0.056CC..SBendtrans-80.6-20.4179.8-50.4-173000113S145 V169 V170 N183 A184 V188 L191L139-S145 VanDerWaalsContact O-CB 3.27Å; L139-S145 WeakPolarHBondContact O-CB 3.41Å; L139-V169 PolarHBondContact N-O 3.23Å; L139-V170 HydrophobicContact CD1-CG2 4.15Å; L139-N183 CarbonylContact O-C 3.49Å; L139-N183 VanDerWaalsContact O-CB 3.3Å; L139-N183 WeakPolarHBondContact O-CB 3.36Å; L139-A184 HydrophobicContact CB-CB 4.13Å; L139-A184 PolarHBondContact O-N 2.8Å; L139-V188 HydrophobicContact CD1-CG2 4.08Å; L139-L191 HydrophobicContact CD1-CD1 4.09Å; L139-L191 HydrophobicContact CD2-CD1 3.72Å
140G91.7Very high96Very high6 Ų66 Ų66%0.0624%0.038CC..SBendtrans-81.4-19.7-179.300000115.3N183G140-N183 PolarHBondContact O-ND2 3.19Å
141G92.2Very high96.1Very high12 Ų125.5 Ų5.512%0.1244%0.036CC..SBendtrans-75.6-165.5-177.500000113.5S145 N183G141-S145 PolarHBondContact O-OG 3.12Å; G141-N183 WeakPolarHBondContact O-CB 3.4Å; G141-N183 VanDerWaalsContact O-CG 3.27Å; G141-N183 PolarHBondContact O-ND2 3.43Å
142G94.3Very high96.3Very high3 Ų34.7 Ų4.73%0.0313%0.032CC..SBendtrans-106.2-48.7167.900000112.5N100 S145 G146N100-G142 WeakPolarHBondContact O-CA 3.34Å; G142-S145 PolarHBondContact O-OG 2.94Å; G142-G146 WeakPolarHBondContact O-CA 3.39Å; G142-G146 PolarHBondContact O-N 3.47Å
143T96.2Very high96.4Very high11 Ų115.9 Ų5.97%0.0674%0.04CC..Iπ-helixtrans-68.4-59.6179.1-47.90000111.8D67 L68 S145 M147 G148D67-T143 PolarHBondContact OD1-OG1 3.18Å; L68-T143 HydrophobicContact CB-CG2 4.09Å; L68-T143 HydrophobicContact CD1-CG2 4.02Å; L68-T143 HydrophobicContact CG-CG2 3.79Å; T143-S145 PolarHBondContact O-N 3.39Å; T143-M147 HydrophobicContact CG2-CB 4.35Å; T143-M147 HydrophobicContact CG2-SD 4.2Å; T143-M147 WeakPolarHBondContact O-CA 3.32Å; T143-M147 WeakPolarHBondContact O-CB 3.39Å; T143-M147 PolarHBondContact O-N 2.76Å; T143-G148 PolarHBondContact O-N 3.05Å; T143-G148 VanDerWaalsContact O-N 3.13Å
144G95.6Very high96.4Very high2 Ų29.1 Ų9.12%0.0215%0.054CC..Iπ-helixtrans-61.3-33.9-176.100000112.5A9 H137 S138 G148A9-G144 WeakPolarHBondContact O-CA 3.43Å; H137-G144 WeakPolarHBondContact CB-O 3.34Å; H137-G144 PolarHBondContact ND1-O 3.19Å; S138-G144 CarbonylContact O-C 3.45Å; G144-G148 WeakPolarHBondContact O-CA 3.49Å
145S96.4Very high96.4Very high0 Ų09 Ų90%05%0.054CC..Iπ-helixtrans-80.7-64.6-179.761.80000111.2S138 L139 G141 G142 T143 T149 S187S138-S145 WeakPolarHBondContact O-CB 3.34Å; S138-S145 PolarHBondContact O-N 2.73Å; L139-S145 VanDerWaalsContact O-CB 3.27Å; L139-S145 WeakPolarHBondContact O-CB 3.41Å; G141-S145 PolarHBondContact O-OG 3.12Å; G142-S145 PolarHBondContact O-OG 2.94Å; T143-S145 PolarHBondContact O-N 3.39Å; S145-T149 WeakPolarHBondContact O-CB 3.15Å; S145-T149 VanDerWaalsContact O-CG2 3.29Å; S145-T149 WeakPolarHBondContact O-CG2 3.45Å; S145-T149 PolarHBondContact O-N 3.03Å; S145-T149 PolarHBondContact O-OG1 3.16Å; S145-S187 WeakPolarHBondContact CA-OG 3.46Å; S145-S187 VanDerWaalsContact CB-OG 3.24Å; S145-S187 WeakPolarHBondContact CB-OG 3.47Å; S145-S187 PolarHBondContact O-OG 2.88Å
146G96.7Very high96.3Very high0 Ų012.1 Ų12.10%07%0.065CC..Iπ-helixtrans-71.9-52.5-173.200000113.2W101 G104 H105 G142 G148 T149 L150W101-G146 VanDerWaalsContact CD1-CA 3.48Å; G104-G146 CarbonylContact O-C 3.25Å; H105-G146 PolarHBondContact ND1-O 2.75Å; G142-G146 WeakPolarHBondContact O-CA 3.39Å; G142-G146 PolarHBondContact O-N 3.47Å; G146-G148 VanDerWaalsContact C-N 3.34Å; G146-T149 PolarHBondContact O-N 3.2Å; G146-T149 PolarHBondContact O-OG1 2.84Å; G146-T149 VanDerWaalsContact O-OG1 3.14Å; G146-L150 WeakPolarHBondContact O-CB 3.4Å; G146-L150 PolarHBondContact O-N 3.45Å
147M96.9Very high96.2Very high3 Ų318 Ų182%0.0159%0.093CC..Iπ-helixtrans-69.7-36177.6-170.2-170.617700110.8V66 L68 G104 L112 V116 T143 L150 L151V66-M147 HydrophobicContact CG1-CE 3.45Å; V66-M147 VanDerWaalsContact CG1-CE 3.45Å; V66-M147 HydrophobicContact CG1-SD 3.73Å; L68-M147 HydrophobicContact CD1-SD 4.45Å; L68-M147 HydrophobicContact CD2-SD 4.11Å; L68-M147 HydrophobicContact CG-SD 4.03Å; G104-M147 WeakPolarHBondContact O-CA 3.37Å; G104-M147 WeakPolarHBondContact O-CB 3.48Å; G104-M147 PolarHBondContact O-N 3.48Å; L112-M147 HydrophobicContact CB-CE 3.78Å; L112-M147 HydrophobicContact CD2-CE 3.85Å; L112-M147 HydrophobicContact CD2-SD 4.31Å; L112-M147 HydrophobicContact CG-CE 3.83Å; V116-M147 HydrophobicContact CG2-CE 3.73Å; T143-M147 HydrophobicContact CG2-CB 4.35Å; T143-M147 HydrophobicContact CG2-SD 4.2Å; T143-M147 WeakPolarHBondContact O-CA 3.32Å; T143-M147 WeakPolarHBondContact O-CB 3.39Å; T143-M147 PolarHBondContact O-N 2.76Å; M147-L150 PolarHBondContact O-N 2.97Å; M147-L151 WeakPolarHBondContact O-CB 3.41Å; M147-L151 PolarHBondContact O-N 3.16Å
148G97.2Very high96.2Very high0 Ų021.4 Ų21.40%011%0.109CC..Hα-helixtrans-59-47.5174.500000112.3T143 G144 G146 L151 I152T143-G148 PolarHBondContact O-N 3.05Å; T143-G148 VanDerWaalsContact O-N 3.13Å; G144-G148 WeakPolarHBondContact O-CA 3.49Å; G146-G148 VanDerWaalsContact C-N 3.34Å; G148-L151 PolarHBondContact O-N 3.33Å; G148-I152 VanDerWaalsContact O-CG1 3.3Å; G148-I152 WeakPolarHBondContact O-CG1 3.39Å; G148-I152 PolarHBondContact O-N 2.86Å
149T97.2Very high96.2Very high0 Ų022.3 Ų22.30%011%0.109CC..Hα-helixtrans-71.2-33.1177.9550000113.5H105 S145 G146 L151 I152 S153 Q190 L191H105-T149 PolarHBondContact ND1-OG1 3.2Å; S145-T149 WeakPolarHBondContact O-CB 3.15Å; S145-T149 VanDerWaalsContact O-CG2 3.29Å; S145-T149 WeakPolarHBondContact O-CG2 3.45Å; S145-T149 PolarHBondContact O-N 3.03Å; S145-T149 PolarHBondContact O-OG1 3.16Å; G146-T149 PolarHBondContact O-N 3.2Å; G146-T149 PolarHBondContact O-OG1 2.84Å; G146-T149 VanDerWaalsContact O-OG1 3.14Å; T149-L151 VanDerWaalsContact C-N 3.33Å; T149-I152 PolarHBondContact O-N 2.97Å; T149-S153 PolarHBondContact O-N 3.46Å; T149-Q190 HydrophobicContact CG2-CB 3.76Å; T149-Q190 HydrophobicContact CG2-CG 4.38Å; T149-L191 HydrophobicContact CG2-CG 4.47Å
150L97.4Very high96.2Very high20 Ų2026 Ų2611%0.10513%0.134CC..Hα-helixtrans-59.6-47170.8178.565.8000110.7H105 A110 V113 G146 M147 I152 S153 K154H105-L150 WeakPolarHBondContact O-CD2 3.4Å; A110-L150 HydrophobicContact CB-CD2 4.14Å; V113-L150 HydrophobicContact CB-CD2 4.01Å; V113-L150 HydrophobicContact CG1-CD2 4.06Å; V113-L150 HydrophobicContact CG2-CD2 4.21Å; V113-L150 HydrophobicContact CG2-CG 4.28Å; G146-L150 WeakPolarHBondContact O-CB 3.4Å; G146-L150 PolarHBondContact O-N 3.45Å; M147-L150 PolarHBondContact O-N 2.97Å; L150-I152 PolarHBondContact O-N 3.23Å; L150-S153 PolarHBondContact O-N 2.98Å; L150-K154 WeakPolarHBondContact O-CG 3.11Å; L150-K154 PolarHBondContact O-N 2.95Å
151L97.4Very high96.3Very high3 Ų329.7 Ų29.72%0.01615%0.152CC..Hα-helixtrans-63.2-41.4179-17664.9000111.7I7 V113 V116 L117 M147 G148 T149 S153 K154 I155I7-L151 HydrophobicContact CD1-CD2 4.17Å; I7-L151 HydrophobicContact CG2-CD2 3.68Å; V113-L151 HydrophobicContact CG2-CD1 4.02Å; V116-L151 HydrophobicContact CB-CD1 4.24Å; V116-L151 HydrophobicContact CG1-CD1 3.73Å; V116-L151 HydrophobicContact CG1-CD2 3.82Å; V116-L151 HydrophobicContact CG1-CG 4.46Å; L117-L151 HydrophobicContact CD2-CD1 3.86Å; L117-L151 HydrophobicContact CG-CD1 4.26Å; M147-L151 WeakPolarHBondContact O-CB 3.41Å; M147-L151 PolarHBondContact O-N 3.16Å; G148-L151 PolarHBondContact O-N 3.33Å; T149-L151 VanDerWaalsContact C-N 3.33Å; L151-S153 PolarHBondContact O-N 3.01Å; L151-K154 PolarHBondContact O-N 3.19Å; L151-I155 HydrophobicContact CD1-CD1 4.04Å; L151-I155 HydrophobicContact CD1-CG1 4.26Å; L151-I155 HydrophobicContact CD2-CD1 4.43Å; L151-I155 HydrophobicContact CG-CD1 3.8Å; L151-I155 HydrophobicContact CG-CG1 4.38Å; L151-I155 WeakPolarHBondContact O-CB 3.37Å; L151-I155 VanDerWaalsContact O-CG1 3.25Å; L151-I155 WeakPolarHBondContact O-CG1 3.37Å; L151-I155 PolarHBondContact O-N 2.6Å
152I97.9Very high96.5Very high3 Ų332.3 Ų32.32%0.01516%0.158CC..Hα-helixtrans-56.8-50.4174-70.3169.2000110.6L135 G148 T149 L150 K154 I155 R156 M164 T166 L191 N194 T195L135-I152 HydrophobicContact CD2-CD1 3.66Å; L135-I152 HydrophobicContact CD2-CG1 3.71Å; G148-I152 VanDerWaalsContact O-CG1 3.3Å; G148-I152 WeakPolarHBondContact O-CG1 3.39Å; G148-I152 PolarHBondContact O-N 2.86Å; T149-I152 PolarHBondContact O-N 2.97Å; L150-I152 PolarHBondContact O-N 3.23Å; I152-K154 VanDerWaalsContact C-N 3.35Å; I152-K154 PolarHBondContact O-N 2.75Å; I152-I155 PolarHBondContact O-N 3.19Å; I152-R156 WeakPolarHBondContact O-CB 3.16Å; I152-R156 PolarHBondContact O-N 3.33Å; I152-M164 HydrophobicContact CG1-SD 4.25Å; I152-M164 HydrophobicContact CG2-CG 4.02Å; I152-T166 HydrophobicContact CD1-CG2 3.77Å; I152-L191 HydrophobicContact CD1-CD2 3.57Å; I152-N194 HydrophobicContact CG2-CB 3.5Å; I152-N194 VanDerWaalsContact CG2-CB 3.5Å; I152-N194 WeakPolarHBondContact CG2-O 3.26Å; I152-T195 HydrophobicContact CD1-CG2 3.97Å; I152-T195 HydrophobicContact CG2-CG2 3.9Å
153S96.9Very high96.5Very high25 Ų2532.4 Ų32.418%0.17516%0.158CC..Hα-helixtrans-59.5-45.8-179.7175.60000111.3T149 L150 L151 I155 R156 E157T149-S153 PolarHBondContact O-N 3.46Å; L150-S153 PolarHBondContact O-N 2.98Å; L151-S153 PolarHBondContact O-N 3.01Å; S153-I155 PolarHBondContact O-N 3.04Å; S153-R156 PolarHBondContact O-N 2.8Å; S153-R156 VanDerWaalsContact O-N 3.17Å; S153-E157 WeakPolarHBondContact O-CG 3.36Å; S153-E157 PolarHBondContact O-N 3.46Å
154K97.2Very high96.6Very high70 Ų7032.1 Ų32.130%0.30416%0.156SC..Hα-helixtrans-64.9-40.1177.3-68.5-67167.3-155.50113.8V113 L117 L150 L151 I152 R156 E157 E158V113-K154 HydrophobicContact CG2-CG 4.48Å; L117-K154 HydrophobicContact CD1-CB 3.82Å; L117-K154 HydrophobicContact CD1-CG 4.18Å; L117-K154 HydrophobicContact CD2-CB 4Å; L117-K154 HydrophobicContact CG-CB 4.47Å; L150-K154 WeakPolarHBondContact O-CG 3.11Å; L150-K154 PolarHBondContact O-N 2.95Å; L151-K154 PolarHBondContact O-N 3.19Å; I152-K154 VanDerWaalsContact C-N 3.35Å; I152-K154 PolarHBondContact O-N 2.75Å; K154-R156 VanDerWaalsContact C-N 3.3Å; K154-R156 PolarHBondContact O-N 3.13Å; K154-E157 WeakPolarHBondContact CD-OE2 3.15Å; K154-E157 IonicContact NZ-OE1 2.8Å; K154-E157 IonicContact NZ-OE2 2.7Å; K154-E157 PolarHBondContact NZ-OE2 3.14Å; K154-E157 PolarHBondContact O-N 2.89Å; K154-E158 PolarHBondContact O-N 2.85Å; K154-E158 VanDerWaalsContact O-N 3.1Å
155I97.3Very high96.6Very high3 Ų332.1 Ų32.12%0.01516%0.156CC..Hα-helixtrans-65.9-36.9174.1-69.2171.9000110.5I7 L117 V120 F133 L151 I152 S153 E157 E158 Y159 M164I7-I155 HydrophobicContact CD1-CD1 3.45Å; I7-I155 VanDerWaalsContact CD1-CD1 3.45Å; L117-I155 HydrophobicContact CD2-CG1 4.04Å; V120-I155 HydrophobicContact CG1-CD1 4.35Å; V120-I155 HydrophobicContact CG1-CG1 4.39Å; V120-I155 HydrophobicContact CG2-CD1 4.42Å; F133-I155 HydrophobicContact CD1-CD1 4.39Å; F133-I155 HydrophobicContact CD1-CG2 4.3Å; F133-I155 HydrophobicContact CD2-CG2 3.31Å; F133-I155 HydrophobicContact CE1-CG2 4.34Å; F133-I155 HydrophobicContact CE2-CG2 3.32Å; F133-I155 HydrophobicContact CG-CG2 3.82Å; F133-I155 HydrophobicContact CZ-CG2 3.86Å; L151-I155 HydrophobicContact CD1-CD1 4.04Å; L151-I155 HydrophobicContact CD1-CG1 4.26Å; L151-I155 HydrophobicContact CD2-CD1 4.43Å; L151-I155 HydrophobicContact CG-CD1 3.8Å; L151-I155 HydrophobicContact CG-CG1 4.38Å; L151-I155 WeakPolarHBondContact O-CB 3.37Å; L151-I155 VanDerWaalsContact O-CG1 3.25Å; L151-I155 WeakPolarHBondContact O-CG1 3.37Å; L151-I155 PolarHBondContact O-N 2.6Å; I152-I155 PolarHBondContact O-N 3.19Å; S153-I155 PolarHBondContact O-N 3.04Å; I155-E157 VanDerWaalsContact C-N 3.35Å; I155-E158 PolarHBondContact O-N 2.84Å; I155-Y159 HydrophobicContact CG2-CD2 4.06Å; I155-Y159 WeakPolarHBondContact O-CA 3.21Å; I155-Y159 WeakPolarHBondContact O-CB 3.39Å; I155-Y159 PolarHBondContact O-N 2.92Å; I155-M164 HydrophobicContact CB-CE 3.75Å; I155-M164 HydrophobicContact CD1-CE 4.21Å; I155-M164 HydrophobicContact CG2-CE 3.34Å
156R96.1Very high96.7Very high68 Ų6832.1 Ų32.126%0.25716%0.156SC..Hα-helixtrans-67.8-34.7177.3-169.458.1168.6-156.8-12.5112.3I152 S153 K154 P160 R162 D196I152-R156 WeakPolarHBondContact O-CB 3.16Å; I152-R156 PolarHBondContact O-N 3.33Å; S153-R156 PolarHBondContact O-N 2.8Å; S153-R156 VanDerWaalsContact O-N 3.17Å; K154-R156 VanDerWaalsContact C-N 3.3Å; K154-R156 PolarHBondContact O-N 3.13Å; R156-P160 WeakPolarHBondContact O-CA 3.49Å; R156-R162 PolarHBondContact NH1-O 2.95Å; R156-D196 IonicContact CZ-OD1 3.41Å; R156-D196 IonicContact CZ-OD2 3.58Å; R156-D196 IonicContact NH1-OD1 2.79Å; R156-D196 PolarHBondContact NH1-OD1 3.4Å; R156-D196 IonicContact NH1-OD2 2.62Å; R156-D196 PolarHBondContact NH1-OD2 3.42Å; R156-D196 IonicContact NH2-OD1 3.89Å; R156-D196 PolarHBondContact NH2-OD1 2.97Å
157E96.3Very high96.7Very high125 Ų12532.4 Ų32.458%0.58416%0.157SC*.Hα-helixtrans-63.9-44.5171.6-72.1174.5-178.100111.9S153 K154 I155S153-E157 WeakPolarHBondContact O-CG 3.36Å; S153-E157 PolarHBondContact O-N 3.46Å; K154-E157 WeakPolarHBondContact CD-OE2 3.15Å; K154-E157 IonicContact NZ-OE1 2.8Å; K154-E157 IonicContact NZ-OE2 2.7Å; K154-E157 PolarHBondContact NZ-OE2 3.14Å; K154-E157 PolarHBondContact O-N 2.89Å; I155-E157 VanDerWaalsContact C-N 3.35Å
158E96.7Very high96.8Very high72 Ų7232.2 Ų32.234%0.33616%0.156SC..Hα-helixtrans-82.9-32.9-175.4-171.2166.817800113.7R121 K154 I155 P160R121-E158 WeakPolarHBondContact CD-OE1 3.25Å; R121-E158 VanDerWaalsContact CG-OE1 3.24Å; R121-E158 WeakPolarHBondContact CG-OE1 3.42Å; R121-E158 IonicContact CZ-OE1 3.69Å; R121-E158 IonicContact CZ-OE2 3.35Å; R121-E158 VanDerWaalsContact NE-CD 3.34Å; R121-E158 IonicContact NE-OE1 2.74Å; R121-E158 PolarHBondContact NE-OE1 3.1Å; R121-E158 IonicContact NE-OE2 3.13Å; R121-E158 PolarHBondContact NE-OE2 2.98Å; R121-E158 VanDerWaalsContact NE-OE2 3.13Å; R121-E158 IonicContact NH2-OE1 3.72Å; R121-E158 IonicContact NH2-OE2 2.76Å; R121-E158 PolarHBondContact NH2-OE2 3.24Å; K154-E158 PolarHBondContact O-N 2.85Å; K154-E158 VanDerWaalsContact O-N 3.1Å; I155-E158 PolarHBondContact O-N 2.84Å; E158-P160 WeakPolarHBondContact O-CD 3.48Å
159Y96.7Very high96.7Very high38 Ų3832.4 Ų32.415%0.14916%0.157CC..  trans-126.858.9-176.2-58.8-80.7000112.1V120 L130 F133 I155 D161 R162V120-Y159 HydrophobicContact CG1-CE2 4.23Å; L130-Y159 HydrophobicContact CD2-CD1 4.5Å; F133-Y159 AromaticContact CE2-CD2 3.84Å; F133-Y159 HydrophobicContact CE2-CD2 3.84Å; F133-Y159 AromaticContact CE2-CG 3.79Å; F133-Y159 HydrophobicContact CE2-CG 3.79Å; F133-Y159 HydrophobicContact CZ-CD1 4.32Å; F133-Y159 AromaticContact CZ-CD2 3.59Å; F133-Y159 HydrophobicContact CZ-CD2 3.59Å; F133-Y159 AromaticContact CZ-CE2 3.89Å; F133-Y159 HydrophobicContact CZ-CE2 3.89Å; F133-Y159 AromaticContact CZ-CG 3.82Å; F133-Y159 HydrophobicContact CZ-CG 3.82Å; I155-Y159 HydrophobicContact CG2-CD2 4.06Å; I155-Y159 WeakPolarHBondContact O-CA 3.21Å; I155-Y159 WeakPolarHBondContact O-CB 3.39Å; I155-Y159 PolarHBondContact O-N 2.92Å; Y159-D161 PolarHBondContact O-N 3.29Å; Y159-D161 VanDerWaalsContact O-N 3.14Å; Y159-R162 HydrophobicContact CD1-CG 4.34Å; Y159-R162 HydrophobicContact CG-CG 4.46Å; Y159-R162 PolarHBondContact O-N 3.32Å; Y159-R162 VanDerWaalsContact O-N 3.11Å
160P95.4Very high96.5Very high82 Ų8232.4 Ų32.453%0.53216%0.157SC..THydrogen-bonded Turntrans-65-21.1-174.527.3-36.5000113.6R156 E158R156-P160 WeakPolarHBondContact O-CA 3.49Å; E158-P160 WeakPolarHBondContact O-CD 3.48Å
161D94.4Very high96.1Very high84 Ų8431.7 Ų31.745%0.44915%0.154SC..THydrogen-bonded Turntrans-88.6-1.7179.771.6-35.1000113.4Y159 R250Y159-D161 PolarHBondContact O-N 3.29Å; Y159-D161 VanDerWaalsContact O-N 3.14Å; D161-R250 PolarHBondContact O-NH2 3.13Å
162R95.3Very high95.4Very high66 Ų6631.9 Ų31.925%0.24916%0.155CC..SBendtrans-103.8148.2-176.3-53.1-61154.1167.8-4.7111.7L130 F133 R156 Y159L130-R162 HydrophobicContact CD2-CG 4.2Å; L130-R162 WeakPolarHBondContact O-CD 3.23Å; L130-R162 PolarHBondContact O-NH1 2.7Å; F133-R162 HydrophobicContact CD2-CB 4.43Å; F133-R162 HydrophobicContact CE2-CB 4.11Å; F133-R162 HydrophobicContact CE2-CG 4.45Å; R156-R162 PolarHBondContact NH1-O 2.95Å; Y159-R162 HydrophobicContact CD1-CG 4.34Å; Y159-R162 HydrophobicContact CG-CG 4.46Å; Y159-R162 PolarHBondContact O-N 3.32Å; Y159-R162 VanDerWaalsContact O-N 3.11Å
163I95.6Very high94.1Very high6 Ų633.9 Ų33.93%0.03117%0.169CC..EExtended strand (participates in β ladder)trans-73.2133.4178.9-62.5-63.3000109.9Q131 G132 F133 D196 L249 R250 A253Q131-I163 PolarHBondContact O-N 3.4Å; G132-I163 CarbonylContact C-O 3.56Å; G132-I163 WeakPolarHBondContact CA-O 3.27Å; F133-I163 PolarHBondContact N-O 2.74Å; I163-D196 WeakPolarHBondContact CA-OD2 3.44Å; I163-D196 HydrophobicContact CD1-CB 4.31Å; I163-D196 HydrophobicContact CG2-CB 4.22Å; I163-L249 HydrophobicContact CB-CB 4.11Å; I163-L249 HydrophobicContact CB-CD1 4.47Å; I163-L249 HydrophobicContact CG1-CB 4.25Å; I163-L249 HydrophobicContact CG2-CB 3.95Å; I163-L249 HydrophobicContact CG2-CD1 4.36Å; I163-R250 HydrophobicContact CD1-CB 4.29Å; I163-R250 HydrophobicContact CD1-CG 4.41Å; I163-R250 HydrophobicContact CG1-CB 4.11Å; I163-A253 HydrophobicContact CD1-CB 4.47Å
164M97.2Very high92.9Very high4 Ų438.4 Ų38.42%0.0219%0.185CC..EExtended strand (participates in β ladder)trans-109.8109.9171.9179.659.666.200110.1F133 I152 I155 T195 D196 E197F133-M164 HydrophobicContact CB-CE 3.72Å; F133-M164 HydrophobicContact CB-SD 3.94Å; F133-M164 HydrophobicContact CD2-CE 4.06Å; F133-M164 HydrophobicContact CG-CE 4.13Å; I152-M164 HydrophobicContact CG1-SD 4.25Å; I152-M164 HydrophobicContact CG2-CG 4.02Å; I155-M164 HydrophobicContact CB-CE 3.75Å; I155-M164 HydrophobicContact CD1-CE 4.21Å; I155-M164 HydrophobicContact CG2-CE 3.34Å; M164-T195 HydrophobicContact CG-CG2 3.96Å; M164-D196 PolarHBondContact N-OD2 2.94Å; M164-D196 PolarHBondContact O-N 2.92Å; M164-E197 PolarHBondContact O-N 3.31Å
165T96.8Very high91.2Very high3 Ų336.4 Ų36.42%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-111.3135.7178-59.40000110.2F133 Q134 L135 F167 E197 F199F133-T165 PolarHBondContact O-N 3.43Å; Q134-T165 CarbonylContact C-O 3.59Å; Q134-T165 VanDerWaalsContact CA-O 3.3Å; Q134-T165 WeakPolarHBondContact CA-O 3.4Å; L135-T165 PolarHBondContact N-O 3.16Å; T165-F167 HydrophobicContact CG2-CE2 4.09Å; T165-E197 CarbonylContact C-O 3.49Å; T165-E197 VanDerWaalsContact CA-O 3.3Å; T165-E197 WeakPolarHBondContact CA-O 3.47Å; T165-E197 HydrophobicContact CG2-CB 4.11Å; T165-E197 PolarHBondContact OG1-OE2 3.45Å; T165-E197 VanDerWaalsContact OG1-OE2 3.11Å; T165-F199 HydrophobicContact CG2-CD2 3.85Å; T165-F199 HydrophobicContact CG2-CE2 3.53Å
166T97.9Very high89.6Confident0 Ų043.9 Ų43.90%022%0.221CC..EExtended strand (participates in β ladder)trans-123.1144175.779.80000112.8L135 I152 S168 L191 T195 E197 T198 F199L135-T166 HydrophobicContact CB-CG2 4.23Å; L135-T166 CarbonylContact O-C 3.54Å; L135-T166 WeakPolarHBondContact O-CA 3.33Å; I152-T166 HydrophobicContact CD1-CG2 3.77Å; T166-S168 PolarHBondContact OG1-OG 3.28Å; T166-L191 HydrophobicContact CG2-CD2 4.05Å; T166-T195 HydrophobicContact CG2-CG2 3.57Å; T166-E197 PolarHBondContact N-O 3.02Å; T166-T198 WeakPolarHBondContact OG1-CG2 3.21Å; T166-T198 PolarHBondContact OG1-OG1 3.32Å; T166-F199 PolarHBondContact O-N 3.43Å
167F97.8Very high88.6Confident5 Ų542.5 Ų42.52%0.02222%0.221CC..EExtended strand (participates in β ladder)trans-107.598.1166-70.3-91.6000106.8Q134 L135 T136 H137 T165 F199 I201 M232 V235Q134-F167 HydrophobicContact CG-CD2 3.76Å; Q134-F167 HydrophobicContact CG-CE2 3.62Å; Q134-F167 VanDerWaalsContact NE2-CD2 3.33Å; L135-F167 PolarHBondContact O-N 3.02Å; T136-F167 HydrophobicContact CG2-CB 3.94Å; T136-F167 HydrophobicContact CG2-CD2 4.48Å; T136-F167 HydrophobicContact CG2-CG 4.48Å; H137-F167 PolarHBondContact N-O 3.14Å; T165-F167 HydrophobicContact CG2-CE2 4.09Å; F167-F199 HydrophobicContact CD1-CB 3.72Å; F167-F199 HydrophobicContact CD1-CD2 4.07Å; F167-F199 HydrophobicContact CD1-CG 4.03Å; F167-F199 HydrophobicContact CD2-CD2 4.46Å; F167-F199 HydrophobicContact CE1-CB 3.93Å; F167-F199 HydrophobicContact CE1-CD1 4.39Å; F167-F199 AromaticContact CE1-CD2 3.64Å; F167-F199 HydrophobicContact CE1-CD2 3.64Å; F167-F199 HydrophobicContact CE1-CE2 4.31Å; F167-F199 AromaticContact CE1-CG 3.71Å; F167-F199 HydrophobicContact CE1-CG 3.71Å; F167-F199 HydrophobicContact CE2-CD2 4.01Å; F167-F199 HydrophobicContact CE2-CE2 4.39Å; F167-F199 HydrophobicContact CG-CB 4.4Å; F167-F199 HydrophobicContact CG-CD2 4.49Å; F167-F199 AromaticContact CZ-CD2 3.62Å; F167-F199 HydrophobicContact CZ-CD2 3.62Å; F167-F199 AromaticContact CZ-CE2 3.94Å; F167-F199 HydrophobicContact CZ-CE2 3.94Å; F167-F199 HydrophobicContact CZ-CG 4.17Å; F167-I201 HydrophobicContact CB-CD1 4.37Å; F167-I201 HydrophobicContact CD1-CD1 4.22Å; F167-M232 HydrophobicContact CD1-CG 3.54Å; F167-M232 HydrophobicContact CD1-SD 4.38Å; F167-M232 HydrophobicContact CD2-CE 4.15Å; F167-M232 HydrophobicContact CE1-CB 4.3Å; F167-M232 HydrophobicContact CE1-CG 3.67Å; F167-M232 HydrophobicContact CG-CE 4.15Å; F167-M232 HydrophobicContact CG-CG 4.07Å; F167-M232 HydrophobicContact CG-SD 4.37Å; F167-M232 HydrophobicContact CZ-CG 4.32Å; F167-V235 HydrophobicContact CE1-CB 4.44Å; F167-V235 HydrophobicContact CE1-CG1 4.38Å; F167-V235 HydrophobicContact CZ-CB 4.36Å; F167-V235 HydrophobicContact CZ-CG1 3.98Å
168S97.4Very high87.9Confident0 Ų039 Ų390%021%0.208CC..EExtended strand (participates in β ladder)trans-104.9110.1-166.4-710000110.6H137 T166 V170 F199 I201H137-S168 PolarHBondContact CD2-OG 3.43Å; H137-S168 PolarHBondContact NE2-OG 3.12Å; T166-S168 PolarHBondContact OG1-OG 3.28Å; S168-V170 PolarHBondContact O-N 3.21Å; S168-F199 PolarHBondContact N-O 3.06Å; S168-I201 PolarHBondContact O-N 3.37Å
169V96.2Very high87.6Confident3 Ų335.8 Ų35.82%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-80.1114.1175-175.60000110.3I16 H137 S138 L139 I201 N203I16-V169 HydrophobicContact CD1-CG2 3.35Å; H137-V169 PolarHBondContact O-N 3.15Å; S138-V169 WeakPolarHBondContact CA-O 3.49Å; L139-V169 PolarHBondContact N-O 3.23Å; V169-I201 CarbonylContact C-O 3.5Å; V169-I201 WeakPolarHBondContact CA-O 3.31Å; V169-I201 HydrophobicContact CG2-CB 4.3Å; V169-I201 HydrophobicContact CG2-CG2 4.25Å; V169-N203 WeakPolarHBondContact CG1-ND2 3.42Å; V169-N203 WeakPolarHBondContact CG1-OD1 3.17Å
170V93.3Very high87.3Confident1 Ų135.5 Ų35.51%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-83.7134.3178.6179.20000109.2L139 S168 I201 N203 L376 I380L139-V170 HydrophobicContact CD1-CG2 4.15Å; S168-V170 PolarHBondContact O-N 3.21Å; V170-I201 PolarHBondContact N-O 3.1Å; V170-N203 PolarHBondContact O-N 3.18Å; V170-L376 HydrophobicContact CB-CD1 4.35Å; V170-L376 HydrophobicContact CG1-CD1 4.2Å; V170-L376 HydrophobicContact CG1-CD2 4.01Å; V170-L376 HydrophobicContact CG1-CG 4.12Å; V170-L376 HydrophobicContact CG2-CD1 4.08Å; V170-L376 HydrophobicContact CG2-CD2 4.1Å; V170-I380 HydrophobicContact CG1-CD1 3.71Å; V170-I380 HydrophobicContact CG1-CG1 4.31Å
171P89.1Confident87Confident5 Ų531.6 Ų31.63%0.03217%0.168CC..PPolyproline II helixtrans-64.6152.8177.726.8-35000112.3E180 A184P171-E180 HydrophobicContact CB-CB 3.84Å; P171-E180 HydrophobicContact CB-CG 4.34Å; P171-E180 WeakPolarHBondContact CB-OE2 3.47Å; P171-E180 HydrophobicContact CG-CB 4.17Å; P171-A184 HydrophobicContact CG-CB 3.85Å
172S81Confident86.9Confident7 Ų727.6 Ų27.65%0.04915%0.146CC..PPolyproline II helixtrans-97.5145.9176178.20000110.3K174 A175S172-K174 PolarHBondContact O-N 2.87Å; S172-K174 PolarHBondContact OG-N 3.44Å; S172-A175 WeakPolarHBondContact O-CB 3.29Å; S172-A175 PolarHBondContact O-N 3.19Å
173P72.2Confident86.8Confident45 Ų4524.5 Ų24.529%0.29214%0.135SC..THydrogen-bonded Turntrans-53.7-22.9167.6-20.327.5000114.4A175 E204 R379 Q383P173-A175 VanDerWaalsContact C-N 3.29Å; P173-E204 WeakPolarHBondContact CD-OE2 3.25Å; P173-E204 WeakPolarHBondContact CG-OE2 3.48Å; P173-R379 HydrophobicContact CG-CG 4.24Å; P173-Q383 VanDerWaalsContact CA-NE2 3.31Å; P173-Q383 VanDerWaalsContact CG-NE2 3.27Å
174K70.2Confident86.8Confident120 Ų12024.2 Ų24.252%0.52213%0.133SC..THydrogen-bonded Turntrans-84.6-2.6-179.3-59.4170.5-172157.70112.6S172 E204 D208S172-K174 PolarHBondContact O-N 2.87Å; S172-K174 PolarHBondContact OG-N 3.44Å; K174-E204 IonicContact NZ-OE1 3.73Å; K174-D208 IonicContact NZ-OD1 3.93Å; K174-D208 PolarHBondContact NZ-OD1 3.2Å
175A62.3Low86.6Confident27 Ų2724 Ų2422%0.22313%0.132CC..  trans-71.2150.1179.900000111.8S172 P173 E180S172-A175 WeakPolarHBondContact O-CB 3.29Å; S172-A175 PolarHBondContact O-N 3.19Å; P173-A175 VanDerWaalsContact C-N 3.29Å; A175-E180 WeakPolarHBondContact CB-OE2 3.34Å
176N62.9Low86.6Confident160 Ų16024 Ų2486%0.85613%0.132SC*.SBendtrans-79-20.9-173.4-67.6-39.6000113.5
177T77Confident86.5Confident40 Ų4024 Ų2425%0.24513%0.132CC..  trans-88.8121.7-171.5-56.30000110.1N99 V179 E180N99-T177 HydrophobicContact CB-CG2 4.05Å; T177-V179 VanDerWaalsContact C-N 3.31Å; T177-V179 HydrophobicContact CG2-CG2 3.78Å; T177-V179 PolarHBondContact O-N 2.93Å; T177-E180 WeakPolarHBondContact CB-OE1 3.45Å; T177-E180 HydrophobicContact CG2-CG 4.08Å
178V81.6Confident86.4Confident52 Ų5223.9 Ų23.932%0.31513%0.132SC..THydrogen-bonded Turntrans-71.6-24.7-172-64.50000114.2P181 F402 M405 F411V178-P181 WeakPolarHBondContact O-CD 3.2Å; V178-F402 VanDerWaalsContact CA-CE1 3.47Å; V178-F402 HydrophobicContact CB-CE1 3.88Å; V178-F402 HydrophobicContact CB-CZ 4.4Å; V178-F402 HydrophobicContact CG1-CE1 3.91Å; V178-F402 HydrophobicContact CG1-CZ 4.04Å; V178-M405 WeakPolarHBondContact O-CE 3.15Å; V178-F411 HydrophobicContact CB-CE2 4.37Å; V178-F411 HydrophobicContact CG2-CD2 3.99Å; V178-F411 HydrophobicContact CG2-CE2 3.41Å; V178-F411 VanDerWaalsContact CG2-CE2 3.41Å; V178-F411 HydrophobicContact CG2-CZ 3.71Å
179V89.1Confident86.4Confident4 Ų426.1 Ų26.12%0.02414%0.142CC..THydrogen-bonded Turntrans-91.3-0.9-173.1-59.50000115N99 T177 P181 Y182 N183 M405 F411 W414 Y415N99-V179 HydrophobicContact CB-CG2 4.22Å; N99-V179 WeakPolarHBondContact O-CG2 3.47Å; T177-V179 VanDerWaalsContact C-N 3.31Å; T177-V179 HydrophobicContact CG2-CG2 3.78Å; T177-V179 PolarHBondContact O-N 2.93Å; V179-P181 VanDerWaalsContact C-N 3.32Å; V179-Y182 HydrophobicContact CB-CD2 4.46Å; V179-Y182 WeakPolarHBondContact O-CB 3.37Å; V179-Y182 PolarHBondContact O-N 3.32Å; V179-Y182 VanDerWaalsContact O-N 3.11Å; V179-N183 PolarHBondContact O-N 2.97Å; V179-M405 HydrophobicContact CB-CE 4.38Å; V179-M405 HydrophobicContact CG1-CE 3.97Å; V179-F411 HydrophobicContact CG1-CB 3.84Å; V179-F411 HydrophobicContact CG1-CD2 4.13Å; V179-F411 HydrophobicContact CG1-CG 3.92Å; V179-W414 HydrophobicContact CG1-CE3 4.16Å; V179-W414 HydrophobicContact CG1-CZ3 4Å; V179-Y415 WeakPolarHBondContact CB-OH 3.32Å
180E90Very high86.4Confident31 Ų3127.7 Ų27.715%0.14515%0.149CC..Hα-helixtrans-54.6-37.7179.9-68.8-179.8-176.400114.3P171 A175 T177 Y182 N183 A184P171-E180 HydrophobicContact CB-CB 3.84Å; P171-E180 HydrophobicContact CB-CG 4.34Å; P171-E180 WeakPolarHBondContact CB-OE2 3.47Å; P171-E180 HydrophobicContact CG-CB 4.17Å; A175-E180 WeakPolarHBondContact CB-OE2 3.34Å; T177-E180 WeakPolarHBondContact CB-OE1 3.45Å; T177-E180 HydrophobicContact CG2-CG 4.08Å; E180-Y182 VanDerWaalsContact C-N 3.33Å; E180-Y182 PolarHBondContact O-N 3.2Å; E180-N183 PolarHBondContact O-N 3.28Å; E180-A184 WeakPolarHBondContact O-CB 3.46Å; E180-A184 PolarHBondContact O-N 3.09Å
181P89.9Confident86.6Confident1 Ų127.6 Ų27.61%0.00615%0.149CC..Hα-helixtrans-61-39.2176.8-24.835.6000113.2V178 V179 A184 T185 Q383 F384 M405V178-P181 WeakPolarHBondContact O-CD 3.2Å; V179-P181 VanDerWaalsContact C-N 3.32Å; P181-A184 PolarHBondContact O-N 2.98Å; P181-T185 WeakPolarHBondContact O-CB 3.48Å; P181-T185 PolarHBondContact O-N 3.45Å; P181-T185 PolarHBondContact O-OG1 2.79Å; P181-T185 VanDerWaalsContact O-OG1 3.09Å; P181-Q383 HydrophobicContact CB-CB 3.86Å; P181-Q383 HydrophobicContact CG-CB 3.66Å; P181-F384 HydrophobicContact CB-CB 4.49Å; P181-M405 HydrophobicContact CG-SD 4.34Å
182Y91.8Very high87Confident0 Ų027.6 Ų27.60%015%0.149CC..Hα-helixtrans-62.1-50.1175.3-71.3-38.9000111.3V179 E180 A184 T185 L186 F384 M405 F406 A410 Y415 F425V179-Y182 HydrophobicContact CB-CD2 4.46Å; V179-Y182 WeakPolarHBondContact O-CB 3.37Å; V179-Y182 PolarHBondContact O-N 3.32Å; V179-Y182 VanDerWaalsContact O-N 3.11Å; E180-Y182 VanDerWaalsContact C-N 3.33Å; E180-Y182 PolarHBondContact O-N 3.2Å; Y182-A184 VanDerWaalsContact C-N 3.28Å; Y182-A184 PolarHBondContact O-N 3.06Å; Y182-T185 PolarHBondContact O-N 3.46Å; Y182-L186 VanDerWaalsContact O-CG 3.26Å; Y182-L186 WeakPolarHBondContact O-CG 3.16Å; Y182-L186 PolarHBondContact O-N 2.76Å; Y182-F384 AromaticContact CD1-CD2 3.61Å; Y182-F384 HydrophobicContact CD1-CD2 3.61Å; Y182-F384 AromaticContact CD1-CE2 3.46Å; Y182-F384 HydrophobicContact CD1-CE2 3.46Å; Y182-F384 VanDerWaalsContact CD1-CE2 3.46Å; Y182-F384 HydrophobicContact CD1-CG 4.48Å; Y182-F384 HydrophobicContact CD1-CZ 4.2Å; Y182-F384 HydrophobicContact CE1-CD2 4.2Å; Y182-F384 HydrophobicContact CE1-CE2 4.04Å; Y182-F384 HydrophobicContact CE1-CZ 4.39Å; Y182-M405 HydrophobicContact CD2-CE 3.63Å; Y182-M405 HydrophobicContact CD2-SD 4.28Å; Y182-M405 HydrophobicContact CE1-CB 3.99Å; Y182-M405 HydrophobicContact CE2-CB 4.1Å; Y182-M405 HydrophobicContact CE2-CE 3.32Å; Y182-M405 HydrophobicContact CE2-SD 4.13Å; Y182-M405 WeakPolarHBondContact OH-CB 3.35Å; Y182-M405 PolarHBondContact OH-O 2.91Å; Y182-F406 HydrophobicContact CE1-CB 3.96Å; Y182-F406 HydrophobicContact CE1-CD2 4.12Å; Y182-F406 WeakPolarHBondContact OH-CA 3.3Å; Y182-F406 PolarHBondContact OH-N 3.44Å; Y182-A410 WeakPolarHBondContact CE2-O 3.42Å; Y182-A410 PolarHBondContact OH-O 2.97Å; Y182-Y415 WeakPolarHBondContact CB-OH 3.43Å; Y182-Y415 AromaticContact CD2-CE2 3.74Å; Y182-Y415 HydrophobicContact CD2-CE2 3.74Å; Y182-Y415 HydrophobicContact CE2-CE2 4.42Å; Y182-Y415 HydrophobicContact CG-CE2 4.42Å; Y182-F425 AromaticContact CD1-CD1 3.98Å; Y182-F425 HydrophobicContact CD1-CD1 3.98Å; Y182-F425 AromaticContact CD1-CE1 3.73Å; Y182-F425 HydrophobicContact CD1-CE1 3.73Å; Y182-F425 HydrophobicContact CE1-CD1 4.27Å; Y182-F425 HydrophobicContact CE1-CE1 4.2Å; Y182-F425 AromaticContact CG-CE1 3.91Å; Y182-F425 HydrophobicContact CG-CE1 3.91Å
183N94.5Very high87.7Confident0 Ų032.4 Ų32.40%017%0.17CC..Hα-helixtrans-60.7-41.6-179-59.8-23000111N99 W101 L139 G140 G141 V179 E180 S187 Y415N99-N183 PolarHBondContact O-ND2 2.92Å; W101-N183 HydrophobicContact CB-CB 4.12Å; W101-N183 VanDerWaalsContact CB-OD1 3.23Å; W101-N183 WeakPolarHBondContact CB-OD1 3.47Å; W101-N183 PolarHBondContact N-OD1 3.01Å; L139-N183 CarbonylContact O-C 3.49Å; L139-N183 VanDerWaalsContact O-CB 3.3Å; L139-N183 WeakPolarHBondContact O-CB 3.36Å; G140-N183 PolarHBondContact O-ND2 3.19Å; G141-N183 WeakPolarHBondContact O-CB 3.4Å; G141-N183 VanDerWaalsContact O-CG 3.27Å; G141-N183 PolarHBondContact O-ND2 3.43Å; V179-N183 PolarHBondContact O-N 2.97Å; E180-N183 PolarHBondContact O-N 3.28Å; N183-S187 WeakPolarHBondContact O-CB 3.02Å; N183-S187 PolarHBondContact O-N 3.38Å; N183-S187 PolarHBondContact O-OG 3.39Å; N183-Y415 WeakPolarHBondContact OD1-CE1 3.33Å; N183-Y415 PolarHBondContact OD1-OH 3.36Å
184A94.1Very high88.8Confident0 Ų031.5 Ų31.50%016%0.163CC..Hα-helixtrans-67.8-45.4179.600000112.5L139 P171 E180 P181 Y182 L186 S187 V188 I380L139-A184 HydrophobicContact CB-CB 4.13Å; L139-A184 PolarHBondContact O-N 2.8Å; P171-A184 HydrophobicContact CG-CB 3.85Å; E180-A184 WeakPolarHBondContact O-CB 3.46Å; E180-A184 PolarHBondContact O-N 3.09Å; P181-A184 PolarHBondContact O-N 2.98Å; Y182-A184 VanDerWaalsContact C-N 3.28Å; Y182-A184 PolarHBondContact O-N 3.06Å; A184-L186 PolarHBondContact O-N 3.36Å; A184-S187 PolarHBondContact O-N 2.87Å; A184-V188 WeakPolarHBondContact O-CB 3.44Å; A184-V188 VanDerWaalsContact O-CG2 3.26Å; A184-V188 WeakPolarHBondContact O-CG2 3.18Å; A184-V188 PolarHBondContact O-N 3.22Å; A184-I380 HydrophobicContact CB-CG2 4Å
185T93.6Very high90.1Very high0 Ų026 Ų260%014%0.14CC..Hα-helixtrans-60.8-45.1177.4-65.30000111.8P181 Y182 V188 H189 F384 A428 M432P181-T185 WeakPolarHBondContact O-CB 3.48Å; P181-T185 PolarHBondContact O-N 3.45Å; P181-T185 PolarHBondContact O-OG1 2.79Å; P181-T185 VanDerWaalsContact O-OG1 3.09Å; Y182-T185 PolarHBondContact O-N 3.46Å; T185-V188 PolarHBondContact O-N 3.35Å; T185-H189 PolarHBondContact O-N 2.92Å; T185-H189 VanDerWaalsContact O-N 3.1Å; T185-F384 HydrophobicContact CG2-CD2 3.86Å; T185-F384 HydrophobicContact CG2-CE2 3.71Å; T185-F384 HydrophobicContact CG2-CG 4.5Å; T185-F384 HydrophobicContact CG2-CZ 4.26Å; T185-F384 WeakPolarHBondContact OG1-CD2 3.48Å; T185-A428 HydrophobicContact CG2-CB 3.98Å; T185-M432 HydrophobicContact CG2-CE 3.65Å; T185-M432 HydrophobicContact CG2-SD 4.3Å; T185-M432 VanDerWaalsContact OG1-CE 3.3Å; T185-M432 WeakPolarHBondContact OG1-CE 3.43Å
186L96Very high91.8Very high4 Ų426.4 Ų26.42%0.02114%0.138CC..Hα-helixtrans-64.6-41177.5-65.4170.1000112W101 Y182 A184 Q190 Y415 M420 F425 A428W101-L186 HydrophobicContact CB-CD1 4.32Å; W101-L186 HydrophobicContact CD2-CB 3.75Å; W101-L186 HydrophobicContact CD2-CD1 3.91Å; W101-L186 HydrophobicContact CD2-CG 4.47Å; W101-L186 HydrophobicContact CE3-CB 4.15Å; W101-L186 HydrophobicContact CE3-CD1 3.71Å; W101-L186 HydrophobicContact CE3-CG 4.47Å; W101-L186 HydrophobicContact CG-CB 4.1Å; W101-L186 HydrophobicContact CG-CD1 4.18Å; W101-L186 HydrophobicContact CH2-CB 4.42Å; W101-L186 HydrophobicContact CZ2-CB 4.04Å; W101-L186 HydrophobicContact CZ3-CB 4.45Å; W101-L186 HydrophobicContact CZ3-CD1 4.32Å; Y182-L186 VanDerWaalsContact O-CG 3.26Å; Y182-L186 WeakPolarHBondContact O-CG 3.16Å; Y182-L186 PolarHBondContact O-N 2.76Å; A184-L186 PolarHBondContact O-N 3.36Å; L186-Q190 PolarHBondContact O-N 3.05Å; L186-Y415 HydrophobicContact CD1-CD1 4.22Å; L186-Y415 HydrophobicContact CD1-CE1 4.19Å; L186-M420 HydrophobicContact CD1-CE 3.69Å; L186-M420 HydrophobicContact CD1-SD 4.02Å; L186-M420 HydrophobicContact CD2-CE 3.32Å; L186-M420 HydrophobicContact CG-CE 4.15Å; L186-F425 HydrophobicContact CD1-CE1 3.96Å; L186-F425 HydrophobicContact CD1-CZ 4.17Å; L186-A428 HydrophobicContact CD2-CB 3.76Å
187S97Very high93.3Very high0 Ų018.8 Ų18.80%010%0.097CC..Hα-helixtrans-67.9-41.6175.8-77.20000113.1W101 S145 N183 A184 H189 Q190 L191W101-S187 PolarHBondContact NE1-OG 2.84Å; S145-S187 WeakPolarHBondContact CA-OG 3.46Å; S145-S187 VanDerWaalsContact CB-OG 3.24Å; S145-S187 WeakPolarHBondContact CB-OG 3.47Å; S145-S187 PolarHBondContact O-OG 2.88Å; N183-S187 WeakPolarHBondContact O-CB 3.02Å; N183-S187 PolarHBondContact O-N 3.38Å; N183-S187 PolarHBondContact O-OG 3.39Å; A184-S187 PolarHBondContact O-N 2.87Å; S187-H189 VanDerWaalsContact C-N 3.28Å; S187-H189 PolarHBondContact O-N 3.48Å; S187-Q190 PolarHBondContact O-N 3.49Å; S187-Q190 VanDerWaalsContact O-N 3.1Å; S187-L191 VanDerWaalsContact O-CG 3.3Å; S187-L191 WeakPolarHBondContact O-CG 3.11Å; S187-L191 PolarHBondContact O-N 3.35Å
188V96.1Very high94.3Very high2 Ų217 Ų171%0.0129%0.086CC..Hα-helixtrans-59.6-42.7177.8168.60000110.4L139 A184 T185 Q190 L191 V192 F377 L435L139-V188 HydrophobicContact CD1-CG2 4.08Å; A184-V188 WeakPolarHBondContact O-CB 3.44Å; A184-V188 VanDerWaalsContact O-CG2 3.26Å; A184-V188 WeakPolarHBondContact O-CG2 3.18Å; A184-V188 PolarHBondContact O-N 3.22Å; T185-V188 PolarHBondContact O-N 3.35Å; V188-Q190 PolarHBondContact O-N 2.87Å; V188-L191 PolarHBondContact O-N 2.86Å; V188-V192 HydrophobicContact CG1-CG2 4.23Å; V188-V192 VanDerWaalsContact O-CG2 3.31Å; V188-V192 WeakPolarHBondContact O-CG2 3.43Å; V188-V192 PolarHBondContact O-N 3.05Å; V188-F377 HydrophobicContact CG1-CD1 4.1Å; V188-F377 HydrophobicContact CG1-CE1 3.74Å; V188-F377 HydrophobicContact CG2-CD1 4.43Å; V188-F377 HydrophobicContact CG2-CE1 3.99Å; V188-L435 HydrophobicContact CG1-CD2 4.37Å
189H96.3Very high95.1Very high47 Ų4714.5 Ų14.522%0.2187%0.071CC..Hα-helixtrans-53-42.9174.7169.262.3000112.3T185 S187 A428 N431T185-H189 PolarHBondContact O-N 2.92Å; T185-H189 VanDerWaalsContact O-N 3.1Å; S187-H189 VanDerWaalsContact C-N 3.28Å; S187-H189 PolarHBondContact O-N 3.48Å; H189-A428 HydrophobicContact CB-CB 3.81Å; H189-N431 PolarHBondContact ND1-ND2 2.97Å; H189-N431 VanDerWaalsContact ND1-ND2 3.17Å
190Q97.3Very high95.4Very high35 Ų3514.4 Ų14.416%0.1647%0.071CC..Hα-helixtrans-72.5-35.3176.3-61.8-61.3-3200113.5W101 T149 L186 S187 V188 E193 N194W101-Q190 HydrophobicContact CZ2-CG 4.1Å; T149-Q190 HydrophobicContact CG2-CB 3.76Å; T149-Q190 HydrophobicContact CG2-CG 4.38Å; L186-Q190 PolarHBondContact O-N 3.05Å; S187-Q190 PolarHBondContact O-N 3.49Å; S187-Q190 VanDerWaalsContact O-N 3.1Å; V188-Q190 PolarHBondContact O-N 2.87Å; Q190-E193 PolarHBondContact O-N 2.8Å; Q190-N194 WeakPolarHBondContact O-CB 3.2Å; Q190-N194 PolarHBondContact O-N 3.05Å; Q190-N194 VanDerWaalsContact O-N 3.15Å; Q190-N194 PolarHBondContact O-ND2 2.8Å; Q190-N194 PolarHBondContact OE1-ND2 3.18Å
191L97.6Very high95.7Very high0 Ų013 Ų130%06%0.064CC..Hα-helixtrans-69.9-33.1-179-68.7172.5000112.7L139 T149 I152 T166 S187 V188 E193 T195 H263 F264L139-L191 HydrophobicContact CD1-CD1 4.09Å; L139-L191 HydrophobicContact CD2-CD1 3.72Å; T149-L191 HydrophobicContact CG2-CG 4.47Å; I152-L191 HydrophobicContact CD1-CD2 3.57Å; T166-L191 HydrophobicContact CG2-CD2 4.05Å; S187-L191 VanDerWaalsContact O-CG 3.3Å; S187-L191 WeakPolarHBondContact O-CG 3.11Å; S187-L191 PolarHBondContact O-N 3.35Å; V188-L191 PolarHBondContact O-N 2.86Å; L191-E193 VanDerWaalsContact C-N 3.26Å; L191-E193 PolarHBondContact O-N 3.49Å; L191-T195 HydrophobicContact CB-CG2 4.48Å; L191-T195 HydrophobicContact CD2-CG2 3.55Å; L191-T195 PolarHBondContact O-N 3.2Å; L191-T195 PolarHBondContact O-OG1 2.77Å; L191-H263 PolarHBondContact O-NE2 3.06Å; L191-F264 HydrophobicContact CB-CE1 4.13Å; L191-F264 HydrophobicContact CB-CZ 4.17Å
192V96.8Very high95.9Very high5 Ų513 Ų133%0.036%0.064CC..Hα-helixtrans-58.9-40177.4172.30000111.1V188 R261 H263 F264 L435V188-V192 HydrophobicContact CG1-CG2 4.23Å; V188-V192 VanDerWaalsContact O-CG2 3.31Å; V188-V192 WeakPolarHBondContact O-CG2 3.43Å; V188-V192 PolarHBondContact O-N 3.05Å; V192-R261 HydrophobicContact CG1-CB 4.17Å; V192-R261 HydrophobicContact CG1-CG 3.9Å; V192-H263 PolarHBondContact O-CE1 2.78Å; V192-H263 VanDerWaalsContact O-CE1 3.25Å; V192-F264 HydrophobicContact CG2-CE2 3.79Å; V192-F264 HydrophobicContact CG2-CZ 3.76Å; V192-L435 HydrophobicContact CG2-CD1 4.46Å; V192-L435 HydrophobicContact CG2-CD2 3.84Å
193E94.9Very high95.8Very high107 Ų10714.5 Ų14.550%0.57%0.072SC..Hα-helixtrans-92.2-30.5-173.9-60.2-58.714500113.6Q190 L191 R261Q190-E193 PolarHBondContact O-N 2.8Å; L191-E193 VanDerWaalsContact C-N 3.26Å; L191-E193 PolarHBondContact O-N 3.49Å; E193-R261 IonicContact OE1-NH1 3.53Å; E193-R261 PolarHBondContact OE1-NH1 2.88Å
194N96.7Very high95.6Very high26 Ų2616.3 Ų16.314%0.1398%0.081CC..Hα-helixtrans-112.70.6-165.2-58.2-70.6000115.3I152 Q190I152-N194 HydrophobicContact CG2-CB 3.5Å; I152-N194 VanDerWaalsContact CG2-CB 3.5Å; I152-N194 WeakPolarHBondContact CG2-O 3.26Å; Q190-N194 WeakPolarHBondContact O-CB 3.2Å; Q190-N194 PolarHBondContact O-N 3.05Å; Q190-N194 VanDerWaalsContact O-N 3.15Å; Q190-N194 PolarHBondContact O-ND2 2.8Å; Q190-N194 PolarHBondContact OE1-ND2 3.18Å
195T97.3Very high95.5Very high6 Ų616.7 Ų16.74%0.0378%0.084CC..  trans-119.9146.117967.30000111.2I152 M164 T166 L191 T198 H263I152-T195 HydrophobicContact CD1-CG2 3.97Å; I152-T195 HydrophobicContact CG2-CG2 3.9Å; M164-T195 HydrophobicContact CG-CG2 3.96Å; T166-T195 HydrophobicContact CG2-CG2 3.57Å; L191-T195 HydrophobicContact CB-CG2 4.48Å; L191-T195 HydrophobicContact CD2-CG2 3.55Å; L191-T195 PolarHBondContact O-N 3.2Å; L191-T195 PolarHBondContact O-OG1 2.77Å; T195-T198 PolarHBondContact OG1-OG1 2.99Å; T195-H263 PolarHBondContact O-CD2 2.76Å; T195-H263 VanDerWaalsContact O-CD2 3.28Å; T195-H263 PolarHBondContact O-NE2 3.14Å; T195-H263 PolarHBondContact OG1-CD2 3.44Å; T195-H263 VanDerWaalsContact OG1-CD2 3.23Å; T195-H263 PolarHBondContact OG1-NE2 3.15Å
196D96.6Very high95.5Very high35 Ų3516.8 Ų16.819%0.1878%0.084CC..SBendtrans-92.5-25.8176.2-52.4-74000111R156 I163 M164 H263R156-D196 IonicContact CZ-OD1 3.41Å; R156-D196 IonicContact CZ-OD2 3.58Å; R156-D196 IonicContact NH1-OD1 2.79Å; R156-D196 PolarHBondContact NH1-OD1 3.4Å; R156-D196 IonicContact NH1-OD2 2.62Å; R156-D196 PolarHBondContact NH1-OD2 3.42Å; R156-D196 IonicContact NH2-OD1 3.89Å; R156-D196 PolarHBondContact NH2-OD1 2.97Å; I163-D196 WeakPolarHBondContact CA-OD2 3.44Å; I163-D196 HydrophobicContact CD1-CB 4.31Å; I163-D196 HydrophobicContact CG2-CB 4.22Å; M164-D196 PolarHBondContact N-OD2 2.94Å; M164-D196 PolarHBondContact O-N 2.92Å; D196-H263 VanDerWaalsContact O-CB 3.24Å; D196-H263 WeakPolarHBondContact O-CB 3.41Å
197E96Very high95.2Very high0 Ų019.9 Ų19.90%010%0.096CC..EExtended strand (participates in β ladder)trans-146.7127.8179.2-63.5-179.6164.800110.6M164 T165 T166 A253 F265M164-E197 PolarHBondContact O-N 3.31Å; T165-E197 CarbonylContact C-O 3.49Å; T165-E197 VanDerWaalsContact CA-O 3.3Å; T165-E197 WeakPolarHBondContact CA-O 3.47Å; T165-E197 HydrophobicContact CG2-CB 4.11Å; T165-E197 PolarHBondContact OG1-OE2 3.45Å; T165-E197 VanDerWaalsContact OG1-OE2 3.11Å; T166-E197 PolarHBondContact N-O 3.02Å; E197-A253 HydrophobicContact CG-CB 4.07Å; E197-A253 WeakPolarHBondContact OE1-CA 3.43Å; E197-A253 VanDerWaalsContact OE1-CB 3.3Å; E197-A253 WeakPolarHBondContact OE1-CB 3.47Å; E197-A253 PolarHBondContact OE1-N 3.31Å; E197-F265 HydrophobicContact CB-CE2 3.81Å; E197-F265 HydrophobicContact CG-CE2 3.79Å; E197-F265 HydrophobicContact CG-CZ 4.22Å
198T97.7Very high95Very high1 Ų122 Ų221%0.00611%0.107CC..EExtended strand (participates in β ladder)trans-127.2115.6173.8-71.50000111T166 T195 C200 H263 F264 F265T166-T198 WeakPolarHBondContact OG1-CG2 3.21Å; T166-T198 PolarHBondContact OG1-OG1 3.32Å; T195-T198 PolarHBondContact OG1-OG1 2.99Å; T198-C200 PolarHBondContact O-N 3.11Å; T198-H263 PolarHBondContact N-O 3.1Å; T198-F264 HydrophobicContact CG2-CD1 3.6Å; T198-F264 HydrophobicContact CG2-CE1 3.82Å; T198-F264 CarbonylContact O-C 3.53Å; T198-F264 WeakPolarHBondContact O-CA 3.48Å; T198-F265 PolarHBondContact O-N 3.49Å
199F97.4Very high94.8Very high0 Ų022.1 Ų22.10%011%0.108CC..EExtended strand (participates in β ladder)trans-84.1108.5172.6-64.7-85.4000109.5T165 T166 F167 S168 I201 V235 L252 F265 P267 I367T165-F199 HydrophobicContact CG2-CD2 3.85Å; T165-F199 HydrophobicContact CG2-CE2 3.53Å; T166-F199 PolarHBondContact O-N 3.43Å; F167-F199 HydrophobicContact CD1-CB 3.72Å; F167-F199 HydrophobicContact CD1-CD2 4.07Å; F167-F199 HydrophobicContact CD1-CG 4.03Å; F167-F199 HydrophobicContact CD2-CD2 4.46Å; F167-F199 HydrophobicContact CE1-CB 3.93Å; F167-F199 HydrophobicContact CE1-CD1 4.39Å; F167-F199 AromaticContact CE1-CD2 3.64Å; F167-F199 HydrophobicContact CE1-CD2 3.64Å; F167-F199 HydrophobicContact CE1-CE2 4.31Å; F167-F199 AromaticContact CE1-CG 3.71Å; F167-F199 HydrophobicContact CE1-CG 3.71Å; F167-F199 HydrophobicContact CE2-CD2 4.01Å; F167-F199 HydrophobicContact CE2-CE2 4.39Å; F167-F199 HydrophobicContact CG-CB 4.4Å; F167-F199 HydrophobicContact CG-CD2 4.49Å; F167-F199 AromaticContact CZ-CD2 3.62Å; F167-F199 HydrophobicContact CZ-CD2 3.62Å; F167-F199 AromaticContact CZ-CE2 3.94Å; F167-F199 HydrophobicContact CZ-CE2 3.94Å; F167-F199 HydrophobicContact CZ-CG 4.17Å; S168-F199 PolarHBondContact N-O 3.06Å; F199-I201 PolarHBondContact O-N 3.07Å; F199-V235 HydrophobicContact CD1-CG1 4.39Å; F199-V235 HydrophobicContact CD1-CG2 4.18Å; F199-V235 HydrophobicContact CE1-CB 4.42Å; F199-V235 HydrophobicContact CE1-CG1 3.6Å; F199-V235 HydrophobicContact CE1-CG2 3.86Å; F199-V235 HydrophobicContact CE2-CG1 3.85Å; F199-V235 HydrophobicContact CZ-CG1 3.31Å; F199-V235 HydrophobicContact CZ-CG2 4.43Å; F199-L252 HydrophobicContact CZ-CD2 4.49Å; F199-F265 HydrophobicContact CD1-CB 4.13Å; F199-F265 HydrophobicContact CD1-CD2 4.05Å; F199-F265 HydrophobicContact CE1-CB 4.36Å; F199-F265 AromaticContact CE1-CD2 3.68Å; F199-F265 HydrophobicContact CE1-CD2 3.68Å; F199-F265 HydrophobicContact CE1-CG 4.47Å; F199-F265 HydrophobicContact CE2-CD2 4.35Å; F199-F265 AromaticContact CZ-CD2 3.82Å; F199-F265 HydrophobicContact CZ-CD2 3.82Å; F199-F265 HydrophobicContact CZ-CE2 4.25Å; F199-P267 HydrophobicContact CB-CG 4.48Å; F199-P267 HydrophobicContact CD1-CB 4.39Å; F199-I367 HydrophobicContact CD1-CG2 4.43Å; F199-I367 HydrophobicContact CE1-CD1 3.99Å; F199-I367 HydrophobicContact CE1-CG1 4.12Å; F199-I367 HydrophobicContact CE1-CG2 3.69Å; F199-I367 HydrophobicContact CZ-CD1 4.43Å
200C96.7Very high94.6Very high3 Ų319.9 Ų19.92%0.0210%0.097CC..EExtended strand (participates in β ladder)trans-78.9114.2179.6-68.30000110.3T198 F265 P267 I373 L376T198-C200 PolarHBondContact O-N 3.11Å; C200-F265 WeakPolarHBondContact CB-O 3.47Å; C200-F265 PolarHBondContact N-O 3.37Å; C200-P267 WeakPolarHBondContact O-CD 3.12Å; C200-I373 HydrophobicContact CB-CD1 4.08Å; C200-L376 HydrophobicContact CB-CD1 4.27Å
201I95.8Very high94.3Very high2 Ų223.8 Ų23.81%0.0111%0.114CC..EExtended strand (participates in β ladder)trans-112.8109.6178.6-60.5-178.1000108F167 S168 V169 V170 F199 L206 V228 P267F167-I201 HydrophobicContact CB-CD1 4.37Å; F167-I201 HydrophobicContact CD1-CD1 4.22Å; S168-I201 PolarHBondContact O-N 3.37Å; V169-I201 CarbonylContact C-O 3.5Å; V169-I201 WeakPolarHBondContact CA-O 3.31Å; V169-I201 HydrophobicContact CG2-CB 4.3Å; V169-I201 HydrophobicContact CG2-CG2 4.25Å; V170-I201 PolarHBondContact N-O 3.1Å; F199-I201 PolarHBondContact O-N 3.07Å; I201-L206 HydrophobicContact CG2-CD1 3.63Å; I201-L206 HydrophobicContact CG2-CG 4.25Å; I201-V228 HydrophobicContact CD1-CB 4.48Å; I201-V228 HydrophobicContact CD1-CG1 3.52Å; I201-V228 HydrophobicContact CD1-CG2 4.34Å; I201-V228 HydrophobicContact CG2-CG2 3.6Å; I201-P267 HydrophobicContact CG1-CG 4.4Å
202D93.7Very high93.9Very high0 Ų031.1 Ų31.10%014%0.142CC..EExtended strand (participates in β ladder)trans-97.8119.3-174.3-172.1-8.9000111.3E204 A205 L206 M299 A301 L376 R379D202-E204 PolarHBondContact O-N 3.19Å; D202-E204 WeakPolarHBondContact OD1-CB 3.46Å; D202-E204 PolarHBondContact OD1-N 3.45Å; D202-A205 HydrophobicContact CB-CB 4.06Å; D202-A205 PolarHBondContact O-N 3.46Å; D202-A205 VanDerWaalsContact O-N 3.08Å; D202-L206 WeakPolarHBondContact O-CG 3.32Å; D202-L206 PolarHBondContact O-N 3.22Å; D202-M299 WeakPolarHBondContact CB-O 3.41Å; D202-M299 PolarHBondContact N-O 2.99Å; D202-A301 WeakPolarHBondContact OD2-CB 3.21Å; D202-A301 PolarHBondContact OD2-N 3.22Å; D202-A301 VanDerWaalsContact OD2-N 3.14Å; D202-L376 HydrophobicContact CB-CD1 4.31Å; D202-R379 VanDerWaalsContact CG-NH2 3.26Å; D202-R379 IonicContact OD1-CZ 3.95Å; D202-R379 IonicContact OD1-NH1 2.85Å; D202-R379 IonicContact OD1-NH2 2.73Å; D202-R379 PolarHBondContact OD1-NH2 3.46Å; D202-R379 IonicContact OD2-CZ 3.49Å; D202-R379 IonicContact OD2-NH1 3.85Å; D202-R379 PolarHBondContact OD2-NH1 3.02Å; D202-R379 IonicContact OD2-NH2 3.57Å; D202-R379 PolarHBondContact OD2-NH2 3.14Å
203N90.6Very high93.5Very high31 Ų3132.7 Ų32.717%0.16615%0.151CC..Hα-helixtrans-56.2-34.2174.6-82.9-28.6000112V169 V170 L206 Y207V169-N203 WeakPolarHBondContact CG1-ND2 3.42Å; V169-N203 WeakPolarHBondContact CG1-OD1 3.17Å; V170-N203 PolarHBondContact O-N 3.18Å; N203-L206 PolarHBondContact O-N 3.41Å; N203-Y207 WeakPolarHBondContact O-CB 3.41Å; N203-Y207 WeakPolarHBondContact O-CD2 3.14Å; N203-Y207 PolarHBondContact O-N 3.06Å
204E89.1Confident93.2Very high39 Ų3929.2 Ų29.218%0.18214%0.136CC..Hα-helixtrans-61.8-45.9176.3-177.2160.5-154.900112P173 K174 D202 Y207 D208 A301 R379P173-E204 WeakPolarHBondContact CD-OE2 3.25Å; P173-E204 WeakPolarHBondContact CG-OE2 3.48Å; K174-E204 IonicContact NZ-OE1 3.73Å; D202-E204 PolarHBondContact O-N 3.19Å; D202-E204 WeakPolarHBondContact OD1-CB 3.46Å; D202-E204 PolarHBondContact OD1-N 3.45Å; E204-Y207 PolarHBondContact O-N 3.22Å; E204-D208 WeakPolarHBondContact O-CB 3.38Å; E204-D208 PolarHBondContact O-N 3.11Å; E204-A301 HydrophobicContact CB-CB 4.25Å; E204-A301 HydrophobicContact CG-CB 4.23Å; E204-R379 IonicContact OE2-CZ 3.29Å; E204-R379 IonicContact OE2-NE 2.74Å; E204-R379 IonicContact OE2-NH1 3Å; E204-R379 PolarHBondContact OE2-NH1 3.01Å
205A92.6Very high92.9Very high8 Ų835 Ų357%0.06616%0.16CC..Hα-helixtrans-64.6-45.4177.300000111.6D202 Y207 D208 I209 A301D202-A205 HydrophobicContact CB-CB 4.06Å; D202-A205 PolarHBondContact O-N 3.46Å; D202-A205 VanDerWaalsContact O-N 3.08Å; A205-Y207 VanDerWaalsContact C-N 3.34Å; A205-Y207 PolarHBondContact O-N 3.15Å; A205-D208 PolarHBondContact O-N 2.82Å; A205-I209 WeakPolarHBondContact O-CB 3.42Å; A205-I209 VanDerWaalsContact O-CG1 3.29Å; A205-I209 WeakPolarHBondContact O-CG1 3.42Å; A205-I209 PolarHBondContact O-N 3.49Å; A205-A301 HydrophobicContact CB-CB 4Å
206L92.9Very high92.6Very high1 Ų137 Ų371%0.00517%0.17CC..Hα-helixtrans-61.6-42.1179-62.5176.2000111.8I201 D202 N203 I209 C210 L224 L227 V228 M299I201-L206 HydrophobicContact CG2-CD1 3.63Å; I201-L206 HydrophobicContact CG2-CG 4.25Å; D202-L206 WeakPolarHBondContact O-CG 3.32Å; D202-L206 PolarHBondContact O-N 3.22Å; N203-L206 PolarHBondContact O-N 3.41Å; L206-I209 PolarHBondContact O-N 3.4Å; L206-C210 WeakPolarHBondContact O-CB 3.27Å; L206-C210 PolarHBondContact O-N 2.79Å; L206-C210 PolarHBondContact O-SG 3.04Å; L206-C210 VanDerWaalsContact O-SG 3.42Å; L206-L224 HydrophobicContact CB-CD2 3.28Å; L206-L224 HydrophobicContact CD1-CB 4.47Å; L206-L224 HydrophobicContact CD1-CD2 4.28Å; L206-L224 HydrophobicContact CG-CD2 4.44Å; L206-L227 HydrophobicContact CD2-CB 3.97Å; L206-L227 HydrophobicContact CD2-CD1 4.19Å; L206-V228 HydrophobicContact CD1-CG2 3.55Å; L206-V228 HydrophobicContact CD2-CG2 4.21Å; L206-M299 HydrophobicContact CD2-CB 4.4Å; L206-M299 HydrophobicContact CD2-CG 4.43Å; L206-M299 HydrophobicContact CD2-SD 3.43Å; L206-M299 WeakPolarHBondContact CD2-SD 3.24Å
207Y90.6Very high92.2Very high70 Ų7041.2 Ų41.228%0.27520%0.197SC..Hα-helixtrans-61.8-46174.6-91.8-68.8000111.5N203 E204 A205 C210 F211 P219 L224N203-Y207 WeakPolarHBondContact O-CB 3.41Å; N203-Y207 WeakPolarHBondContact O-CD2 3.14Å; N203-Y207 PolarHBondContact O-N 3.06Å; E204-Y207 PolarHBondContact O-N 3.22Å; A205-Y207 VanDerWaalsContact C-N 3.34Å; A205-Y207 PolarHBondContact O-N 3.15Å; Y207-C210 PolarHBondContact O-N 3.23Å; Y207-F211 VanDerWaalsContact O-CB 3.31Å; Y207-F211 WeakPolarHBondContact O-CB 3.33Å; Y207-F211 PolarHBondContact O-N 2.9Å; Y207-P219 HydrophobicContact CD1-CB 4.02Å; Y207-P219 HydrophobicContact CD1-CG 4.31Å; Y207-P219 HydrophobicContact CE1-CB 4.16Å; Y207-L224 HydrophobicContact CD1-CD1 4.5Å; Y207-L224 HydrophobicContact CD1-CD2 4.36Å; Y207-L224 HydrophobicContact CD2-CD2 4.06Å; Y207-L224 HydrophobicContact CE1-CD1 3.96Å; Y207-L224 HydrophobicContact CE2-CD1 3.97Å; Y207-L224 HydrophobicContact CE2-CD2 4.28Å; Y207-L224 HydrophobicContact CG-CD2 4.08Å
208D91.7Very high91.9Very high43 Ų4346.5 Ų46.523%0.2323%0.23CC..Hα-helixtrans-65.8-37.4179.9-87.319.4000111.8K174 E204 A205 R212K174-D208 IonicContact NZ-OD1 3.93Å; K174-D208 PolarHBondContact NZ-OD1 3.2Å; E204-D208 WeakPolarHBondContact O-CB 3.38Å; E204-D208 PolarHBondContact O-N 3.11Å; A205-D208 PolarHBondContact O-N 2.82Å; D208-R212 WeakPolarHBondContact O-CA 3.45Å; D208-R212 WeakPolarHBondContact O-CB 3.38Å; D208-R212 WeakPolarHBondContact O-CG 3.45Å; D208-R212 PolarHBondContact O-N 3.25Å; D208-R212 IonicContact OD2-CZ 3.52Å; D208-R212 IonicContact OD2-NE 3.63Å; D208-R212 IonicContact OD2-NH1 3.98Å; D208-R212 IonicContact OD2-NH2 3.63Å
209I92.3Very high91.5Very high5 Ų547.5 Ų47.53%0.02624%0.236CC..Iπ-helixtrans-61.3-52.3172-71.9167.7000110.6A205 L206 F211 T213 L214 L227 L272 K296 M298 M299A205-I209 WeakPolarHBondContact O-CB 3.42Å; A205-I209 VanDerWaalsContact O-CG1 3.29Å; A205-I209 WeakPolarHBondContact O-CG1 3.42Å; A205-I209 PolarHBondContact O-N 3.49Å; L206-I209 PolarHBondContact O-N 3.4Å; I209-F211 VanDerWaalsContact C-N 3.34Å; I209-F211 PolarHBondContact O-N 3.36Å; I209-T213 CarbonylContact O-C 3.57Å; I209-T213 WeakPolarHBondContact O-CA 3.33Å; I209-T213 VanDerWaalsContact O-CB 3.24Å; I209-T213 WeakPolarHBondContact O-CB 3.45Å; I209-T213 PolarHBondContact O-N 3.44Å; I209-L214 HydrophobicContact CG2-CG 4.37Å; I209-L214 PolarHBondContact O-N 2.8Å; I209-L227 HydrophobicContact CB-CD1 4.16Å; I209-L227 HydrophobicContact CG2-CD1 3.62Å; I209-L227 HydrophobicContact CG2-CD2 4.46Å; I209-L272 HydrophobicContact CD1-CD1 4.2Å; I209-L272 HydrophobicContact CG1-CD1 4.49Å; I209-L272 HydrophobicContact CG2-CD1 3.85Å; I209-K296 WeakPolarHBondContact CG1-O 2.92Å; I209-M298 WeakPolarHBondContact CD1-O 3.43Å; I209-M299 HydrophobicContact CD1-CE 4.32Å; I209-M299 HydrophobicContact CD1-SD 3.56Å; I209-M299 VanDerWaalsContact CD1-SD 3.56Å
210C91.8Very high91.1Very high0 Ų051 Ų510%026%0.258CS..Iπ-helixtrans-59.5-45.4-179.2-76.60000111.7L206 Y207 L214 K215 L216 P219 L227L206-C210 WeakPolarHBondContact O-CB 3.27Å; L206-C210 PolarHBondContact O-N 2.79Å; L206-C210 PolarHBondContact O-SG 3.04Å; L206-C210 VanDerWaalsContact O-SG 3.42Å; Y207-C210 PolarHBondContact O-N 3.23Å; C210-L214 CarbonylContact O-C 3.59Å; C210-L214 WeakPolarHBondContact O-CB 3.16Å; C210-K215 PolarHBondContact O-N 3.22Å; C210-L216 HydrophobicContact CB-CD1 4.24Å; C210-L216 WeakPolarHBondContact O-CB 3.46Å; C210-L216 PolarHBondContact O-N 3.44Å; C210-P219 HydrophobicContact CB-CB 3.66Å; C210-P219 HydrophobicContact CB-CG 3.66Å; C210-L227 VanDerWaalsContact SG-CD1 3.6Å
211F90.7Very high90.7Very high117 Ų11757.4 Ų57.451%0.51328%0.283SS..Iπ-helixtrans-75-51-177.2-173.6-102.2000112.7Y207 I209 K215 L216 P219Y207-F211 VanDerWaalsContact O-CB 3.31Å; Y207-F211 WeakPolarHBondContact O-CB 3.33Å; Y207-F211 PolarHBondContact O-N 2.9Å; I209-F211 VanDerWaalsContact C-N 3.34Å; I209-F211 PolarHBondContact O-N 3.36Å; F211-K215 WeakPolarHBondContact O-CA 3.35Å; F211-L216 WeakPolarHBondContact CA-O 3.38Å; F211-L216 WeakPolarHBondContact CD2-O 3.1Å; F211-P219 HydrophobicContact CB-CG 4.34Å
212R89.4Confident90.4Very high155 Ų15559.2 Ų59.259%0.58530%0.302SS*.Iπ-helixtrans-87.3-39.9-171.7-57.5-179.2179.5-168.82.1112.9D208 K215D208-R212 WeakPolarHBondContact O-CA 3.45Å; D208-R212 WeakPolarHBondContact O-CB 3.38Å; D208-R212 WeakPolarHBondContact O-CG 3.45Å; D208-R212 PolarHBondContact O-N 3.25Å; D208-R212 IonicContact OD2-CZ 3.52Å; D208-R212 IonicContact OD2-NE 3.63Å; D208-R212 IonicContact OD2-NH1 3.98Å; D208-R212 IonicContact OD2-NH2 3.63Å; R212-K215 WeakPolarHBondContact O-CD 3.46Å; R212-K215 WeakPolarHBondContact O-CE 3.25Å; R212-K215 PolarHBondContact O-NZ 3.28Å
213T88.5Confident90.2Very high38 Ų3861.6 Ų61.623%0.23331%0.314CS..Iπ-helixtrans-92.4-50.3-174.1-56.70000111.4I209 K215 L272I209-T213 CarbonylContact O-C 3.57Å; I209-T213 WeakPolarHBondContact O-CA 3.33Å; I209-T213 VanDerWaalsContact O-CB 3.24Å; I209-T213 WeakPolarHBondContact O-CB 3.45Å; I209-T213 PolarHBondContact O-N 3.44Å; T213-K215 VanDerWaalsContact C-N 3.32Å; T213-L272 HydrophobicContact CG2-CB 4.03Å
214L89.7Confident90.3Very high34 Ų3460.1 Ų60.118%0.17831%0.307CS..SBendtrans-82.4-10.4179.9-56.8-177.9000113.6I209 C210 L216 L227 L272 T273 S274I209-L214 HydrophobicContact CG2-CG 4.37Å; I209-L214 PolarHBondContact O-N 2.8Å; C210-L214 CarbonylContact O-C 3.59Å; C210-L214 WeakPolarHBondContact O-CB 3.16Å; L214-L216 VanDerWaalsContact C-N 3.28Å; L214-L216 HydrophobicContact CB-CD1 4.37Å; L214-L216 HydrophobicContact CB-CG 4.05Å; L214-L216 HydrophobicContact CD1-CD1 4.49Å; L214-L216 PolarHBondContact O-N 3.43Å; L214-L227 HydrophobicContact CD1-CD1 4.5Å; L214-L227 HydrophobicContact CD1-CD2 4.26Å; L214-L272 HydrophobicContact CD2-CB 4.49Å; L214-T273 WeakPolarHBondContact CD2-O 3.33Å; L214-S274 VanDerWaalsContact O-CB 3.28Å; L214-S274 WeakPolarHBondContact O-CB 3.16Å
215K90.5Very high90.4Very high148 Ų14858.9 Ų58.964%0.64330%0.301SS*.  trans60.733.9179.2-52.9-59-174.3-169.80113.4C210 F211 R212 T213C210-K215 PolarHBondContact O-N 3.22Å; F211-K215 WeakPolarHBondContact O-CA 3.35Å; R212-K215 WeakPolarHBondContact O-CD 3.46Å; R212-K215 WeakPolarHBondContact O-CE 3.25Å; R212-K215 PolarHBondContact O-NZ 3.28Å; T213-K215 VanDerWaalsContact C-N 3.32Å
216L89.5Confident90.3Very high48 Ų4864.4 Ų64.425%0.25133%0.325SS..  trans-83.1117.6172.7-56.7-179.8000109.1C210 F211 L214 T218 P219 D223C210-L216 HydrophobicContact CB-CD1 4.24Å; C210-L216 WeakPolarHBondContact O-CB 3.46Å; C210-L216 PolarHBondContact O-N 3.44Å; F211-L216 WeakPolarHBondContact CA-O 3.38Å; F211-L216 WeakPolarHBondContact CD2-O 3.1Å; L214-L216 VanDerWaalsContact C-N 3.28Å; L214-L216 HydrophobicContact CB-CD1 4.37Å; L214-L216 HydrophobicContact CB-CG 4.05Å; L214-L216 HydrophobicContact CD1-CD1 4.49Å; L214-L216 PolarHBondContact O-N 3.43Å; L216-T218 VanDerWaalsContact C-N 3.29Å; L216-T218 PolarHBondContact O-N 2.8Å; L216-P219 HydrophobicContact CB-CG 4.4Å; L216-D223 HydrophobicContact CD1-CB 3.97Å
217T89.1Confident90.2Very high122 Ų12264.8 Ų64.875%0.74833%0.327SS*.SBendtrans-68.3-30.7-177.953.90000112.9
218T89.5Confident90.4Very high111 Ų11161.5 Ų61.568%0.68132%0.315SS*.SBendtrans-136.278.1-177.1-38.60000109.2L216 T220L216-T218 VanDerWaalsContact C-N 3.29Å; L216-T218 PolarHBondContact O-N 2.8Å; T218-T220 PolarHBondContact O-N 2.86Å
219P88.8Confident90.5Very high22 Ų2259.5 Ų59.514%0.14330%0.304CS..  trans-58.4133.2178-23.434.7000111.4Y207 C210 F211 L216Y207-P219 HydrophobicContact CD1-CB 4.02Å; Y207-P219 HydrophobicContact CD1-CG 4.31Å; Y207-P219 HydrophobicContact CE1-CB 4.16Å; C210-P219 HydrophobicContact CB-CB 3.66Å; C210-P219 HydrophobicContact CB-CG 3.66Å; F211-P219 HydrophobicContact CB-CG 4.34Å; L216-P219 HydrophobicContact CB-CG 4.4Å
220T90.2Very high90.4Very high75 Ų7560.2 Ų60.246%0.4631%0.31SS..  trans-104.2163.1174.668.50000110.8T218 G222 D223 L224T218-T220 PolarHBondContact O-N 2.86Å; T220-G222 PolarHBondContact O-N 2.7Å; T220-G222 PolarHBondContact OG1-N 3.19Å; T220-D223 WeakPolarHBondContact CB-OD2 3.27Å; T220-D223 PolarHBondContact N-OD2 3.24Å; T220-D223 WeakPolarHBondContact O-CB 3.27Å; T220-D223 PolarHBondContact O-N 3.02Å; T220-D223 PolarHBondContact OG1-N 3.43Å; T220-D223 PolarHBondContact OG1-OD2 3.34Å; T220-L224 WeakPolarHBondContact O-CD1 3.48Å; T220-L224 PolarHBondContact O-N 3.42Å; T220-L224 VanDerWaalsContact O-N 3.11Å
221Y87.7Confident90.5Very high137 Ų13760.2 Ų60.254%0.53731%0.31SS..Hα-helixtrans-56.2-29.5170.5-75.1-67.9000112.9D223 L224 N225Y221-D223 VanDerWaalsContact C-N 3.34Å; Y221-D223 PolarHBondContact O-N 3.29Å; Y221-L224 HydrophobicContact CD1-CD1 3.87Å; Y221-L224 HydrophobicContact CE1-CD1 4.34Å; Y221-L224 HydrophobicContact CG-CD1 4.41Å; Y221-L224 PolarHBondContact O-N 3.25Å; Y221-N225 WeakPolarHBondContact O-CB 3.39Å; Y221-N225 PolarHBondContact O-N 2.96Å; Y221-N225 PolarHBondContact O-ND2 3.33Å; Y221-N225 PolarHBondContact O-OD1 3.43Å
222G89.5Confident90.7Very high40 Ų4054.6 Ų54.641%0.41229%0.286SS..Hα-helixtrans-61.8-40.3172.500000113.1T220 H226T220-G222 PolarHBondContact O-N 2.7Å; T220-G222 PolarHBondContact OG1-N 3.19Å; G222-H226 WeakPolarHBondContact O-CB 3.39Å; G222-H226 PolarHBondContact O-N 3.2Å
223D89.9Confident90.9Very high49 Ų4947.3 Ų47.326%0.26226%0.258SS..Hα-helixtrans-70.5-43.3178.6-55.3-61.1000111.3L216 T220 Y221 H226 L227L216-D223 HydrophobicContact CD1-CB 3.97Å; T220-D223 WeakPolarHBondContact CB-OD2 3.27Å; T220-D223 PolarHBondContact N-OD2 3.24Å; T220-D223 WeakPolarHBondContact O-CB 3.27Å; T220-D223 PolarHBondContact O-N 3.02Å; T220-D223 PolarHBondContact OG1-N 3.43Å; T220-D223 PolarHBondContact OG1-OD2 3.34Å; Y221-D223 VanDerWaalsContact C-N 3.34Å; Y221-D223 PolarHBondContact O-N 3.29Å; D223-H226 WeakPolarHBondContact O-CB 3.36Å; D223-H226 PolarHBondContact O-N 2.82Å; D223-L227 PolarHBondContact O-N 2.88Å
224L91.7Very high91.1Very high1 Ų145.5 Ų45.51%0.00525%0.247CC..Hα-helixtrans-59.5-51.2174.8-66148.3000110.4L206 Y207 T220 Y221 H226 L227 V228L206-L224 HydrophobicContact CB-CD2 3.28Å; L206-L224 HydrophobicContact CD1-CB 4.47Å; L206-L224 HydrophobicContact CD1-CD2 4.28Å; L206-L224 HydrophobicContact CG-CD2 4.44Å; Y207-L224 HydrophobicContact CD1-CD1 4.5Å; Y207-L224 HydrophobicContact CD1-CD2 4.36Å; Y207-L224 HydrophobicContact CD2-CD2 4.06Å; Y207-L224 HydrophobicContact CE1-CD1 3.96Å; Y207-L224 HydrophobicContact CE2-CD1 3.97Å; Y207-L224 HydrophobicContact CE2-CD2 4.28Å; Y207-L224 HydrophobicContact CG-CD2 4.08Å; T220-L224 WeakPolarHBondContact O-CD1 3.48Å; T220-L224 PolarHBondContact O-N 3.42Å; T220-L224 VanDerWaalsContact O-N 3.11Å; Y221-L224 HydrophobicContact CD1-CD1 3.87Å; Y221-L224 HydrophobicContact CE1-CD1 4.34Å; Y221-L224 HydrophobicContact CG-CD1 4.41Å; Y221-L224 PolarHBondContact O-N 3.25Å; L224-H226 PolarHBondContact O-N 3.18Å; L224-L227 WeakPolarHBondContact O-CB 3.48Å; L224-L227 PolarHBondContact O-N 3.15Å; L224-L227 VanDerWaalsContact O-N 3.13Å; L224-V228 WeakPolarHBondContact O-CG2 3.47Å; L224-V228 PolarHBondContact O-N 2.82Å; L224-V228 VanDerWaalsContact O-N 3.11Å
225N92.1Very high91.1Very high13 Ų1344.1 Ų44.17%0.0724%0.24CC..Hα-helixtrans-64-29.5-179.7-66.1-12.5000112.2I16 K19 Y221 V228 S229I16-N225 WeakPolarHBondContact CG1-OD1 3.43Å; K19-N225 HydrophobicContact CG-CB 4.09Å; Y221-N225 WeakPolarHBondContact O-CB 3.39Å; Y221-N225 PolarHBondContact O-N 2.96Å; Y221-N225 PolarHBondContact O-ND2 3.33Å; Y221-N225 PolarHBondContact O-OD1 3.43Å; N225-V228 PolarHBondContact O-N 3.3Å; N225-S229 WeakPolarHBondContact O-CB 3.44Å; N225-S229 PolarHBondContact O-N 3.3Å; N225-S229 PolarHBondContact O-OG 3.49Å
226H89.4Confident91.2Very high123 Ų12337.2 Ų37.257%0.56921%0.21SC*.Hα-helixtrans-63.7-45.9173.6-175.761.1000111.7G222 D223 L224 V228 S229 A230G222-H226 WeakPolarHBondContact O-CB 3.39Å; G222-H226 PolarHBondContact O-N 3.2Å; D223-H226 WeakPolarHBondContact O-CB 3.36Å; D223-H226 PolarHBondContact O-N 2.82Å; L224-H226 PolarHBondContact O-N 3.18Å; H226-V228 VanDerWaalsContact C-N 3.32Å; H226-V228 PolarHBondContact O-N 3.21Å; H226-S229 WeakPolarHBondContact CA-OG 3.39Å; H226-S229 PolarHBondContact O-N 3.03Å; H226-S229 PolarHBondContact O-OG 3.05Å; H226-A230 PolarHBondContact O-N 3.36Å
227L92.4Very high91.3Very high9 Ų935 Ų355%0.04720%0.199CC..Hα-helixtrans-60.8-42.4175.2-68.7177.1000112.1L206 I209 C210 L214 D223 L224 A230 T231 L272 M299L206-L227 HydrophobicContact CD2-CB 3.97Å; L206-L227 HydrophobicContact CD2-CD1 4.19Å; I209-L227 HydrophobicContact CB-CD1 4.16Å; I209-L227 HydrophobicContact CG2-CD1 3.62Å; I209-L227 HydrophobicContact CG2-CD2 4.46Å; C210-L227 VanDerWaalsContact SG-CD1 3.6Å; L214-L227 HydrophobicContact CD1-CD1 4.5Å; L214-L227 HydrophobicContact CD1-CD2 4.26Å; D223-L227 PolarHBondContact O-N 2.88Å; L224-L227 WeakPolarHBondContact O-CB 3.48Å; L224-L227 PolarHBondContact O-N 3.15Å; L224-L227 VanDerWaalsContact O-N 3.13Å; L227-A230 PolarHBondContact O-N 2.95Å; L227-T231 PolarHBondContact O-N 3.23Å; L227-T231 PolarHBondContact O-OG1 3.08Å; L227-L272 HydrophobicContact CD2-CD2 3.52Å; L227-M299 HydrophobicContact CB-CE 4.21Å; L227-M299 HydrophobicContact CB-SD 4.48Å; L227-M299 HydrophobicContact CD2-CE 4.4Å
228V94Very high91.1Very high2 Ų229.7 Ų29.71%0.01217%0.167CC..Hα-helixtrans-63-47.1176.8176.60000111I16 I201 L206 L224 N225 H226 A230 T231 M232I16-V228 HydrophobicContact CB-CG1 4.44Å; I16-V228 HydrophobicContact CD1-CG1 4.15Å; I16-V228 HydrophobicContact CD1-CG2 4.47Å; I16-V228 HydrophobicContact CG1-CG1 4.23Å; I16-V228 HydrophobicContact CG2-CB 4.36Å; I16-V228 HydrophobicContact CG2-CG1 3.4Å; I16-V228 VanDerWaalsContact CG2-CG1 3.4Å; I201-V228 HydrophobicContact CD1-CB 4.48Å; I201-V228 HydrophobicContact CD1-CG1 3.52Å; I201-V228 HydrophobicContact CD1-CG2 4.34Å; I201-V228 HydrophobicContact CG2-CG2 3.6Å; L206-V228 HydrophobicContact CD1-CG2 3.55Å; L206-V228 HydrophobicContact CD2-CG2 4.21Å; L224-V228 WeakPolarHBondContact O-CG2 3.47Å; L224-V228 PolarHBondContact O-N 2.82Å; L224-V228 VanDerWaalsContact O-N 3.11Å; N225-V228 PolarHBondContact O-N 3.3Å; H226-V228 VanDerWaalsContact C-N 3.32Å; H226-V228 PolarHBondContact O-N 3.21Å; V228-A230 VanDerWaalsContact C-N 3.33Å; V228-A230 PolarHBondContact O-N 2.79Å; V228-T231 WeakPolarHBondContact O-CB 3.32Å; V228-T231 PolarHBondContact O-N 2.87Å; V228-T231 VanDerWaalsContact O-N 3.14Å; V228-M232 HydrophobicContact CG1-CG 4.16Å; V228-M232 HydrophobicContact CG1-SD 3.91Å; V228-M232 WeakPolarHBondContact O-CG 3.34Å; V228-M232 PolarHBondContact O-N 2.86Å
229S93Very high91Very high1 Ų124.7 Ų24.71%0.00714%0.136CC..Hα-helixtrans-62.1-38.5179.668.40000112.7N225 H226 T231 M232 S233N225-S229 WeakPolarHBondContact O-CB 3.44Å; N225-S229 PolarHBondContact O-N 3.3Å; N225-S229 PolarHBondContact O-OG 3.49Å; H226-S229 WeakPolarHBondContact CA-OG 3.39Å; H226-S229 PolarHBondContact O-N 3.03Å; H226-S229 PolarHBondContact O-OG 3.05Å; S229-T231 VanDerWaalsContact C-N 3.35Å; S229-M232 PolarHBondContact O-N 3.18Å; S229-S233 WeakPolarHBondContact O-CB 3.39Å; S229-S233 PolarHBondContact O-N 2.96Å
230A92Very high91.1Very high19 Ų1923.7 Ų23.716%0.15713%0.129CC..Hα-helixtrans-64.1-41.3174.700000111.6H226 L227 V228 G234 F269H226-A230 PolarHBondContact O-N 3.36Å; L227-A230 PolarHBondContact O-N 2.95Å; V228-A230 VanDerWaalsContact C-N 3.33Å; V228-A230 PolarHBondContact O-N 2.79Å; A230-G234 PolarHBondContact O-N 3.13Å; A230-F269 HydrophobicContact CB-CD2 4.39Å; A230-F269 HydrophobicContact CB-CE1 4.45Å; A230-F269 HydrophobicContact CB-CE2 4.24Å; A230-F269 HydrophobicContact CB-CZ 4.27Å
231T92.8Very high91.1Very high0 Ų020.1 Ų20.10%011%0.107CC..Hα-helixtrans-64.6-49.2176.1-56.70000111.3L227 V228 S229 S233 G234 V235 P267 M299L227-T231 PolarHBondContact O-N 3.23Å; L227-T231 PolarHBondContact O-OG1 3.08Å; V228-T231 WeakPolarHBondContact O-CB 3.32Å; V228-T231 PolarHBondContact O-N 2.87Å; V228-T231 VanDerWaalsContact O-N 3.14Å; S229-T231 VanDerWaalsContact C-N 3.35Å; T231-S233 VanDerWaalsContact C-N 3.34Å; T231-S233 PolarHBondContact O-N 2.92Å; T231-G234 WeakPolarHBondContact O-CA 3.04Å; T231-G234 PolarHBondContact O-N 3.35Å; T231-G234 VanDerWaalsContact O-N 3.15Å; T231-V235 HydrophobicContact CG2-CG2 4.46Å; T231-V235 WeakPolarHBondContact O-CG2 3.39Å; T231-V235 PolarHBondContact O-N 3.44Å; T231-P267 HydrophobicContact CG2-CB 3.55Å; T231-P267 HydrophobicContact CG2-CG 4.2Å; T231-M299 HydrophobicContact CG2-CG 4.47Å; T231-M299 WeakPolarHBondContact OG1-CE 3.43Å
232M94.7Very high90.7Very high0 Ų015.5 Ų15.50%09%0.094CC..Hα-helixtrans-60.1-42.8176.7-71.417969.600112.2I16 F20 T136 F167 V228 S229 G234 V235 T236I16-M232 HydrophobicContact CG2-SD 3.48Å; I16-M232 WeakPolarHBondContact CG2-SD 3.47Å; F20-M232 HydrophobicContact CB-CE 3.76Å; F20-M232 HydrophobicContact CB-SD 4.03Å; F20-M232 HydrophobicContact CD1-CE 4.09Å; F20-M232 HydrophobicContact CD2-CB 3.6Å; F20-M232 HydrophobicContact CD2-CE 3.75Å; F20-M232 HydrophobicContact CD2-SD 4.37Å; F20-M232 HydrophobicContact CE2-CB 4.09Å; F20-M232 HydrophobicContact CE2-CE 4.35Å; F20-M232 HydrophobicContact CG-CB 4.47Å; F20-M232 HydrophobicContact CG-CE 3.59Å; F20-M232 HydrophobicContact CG-SD 4.36Å; T136-M232 HydrophobicContact CG2-CE 3.31Å; T136-M232 HydrophobicContact CG2-SD 4.08Å; F167-M232 HydrophobicContact CD1-CG 3.54Å; F167-M232 HydrophobicContact CD1-SD 4.38Å; F167-M232 HydrophobicContact CD2-CE 4.15Å; F167-M232 HydrophobicContact CE1-CB 4.3Å; F167-M232 HydrophobicContact CE1-CG 3.67Å; F167-M232 HydrophobicContact CG-CE 4.15Å; F167-M232 HydrophobicContact CG-CG 4.07Å; F167-M232 HydrophobicContact CG-SD 4.37Å; F167-M232 HydrophobicContact CZ-CG 4.32Å; V228-M232 HydrophobicContact CG1-CG 4.16Å; V228-M232 HydrophobicContact CG1-SD 3.91Å; V228-M232 WeakPolarHBondContact O-CG 3.34Å; V228-M232 PolarHBondContact O-N 2.86Å; S229-M232 PolarHBondContact O-N 3.18Å; M232-G234 VanDerWaalsContact C-N 3.32Å; M232-G234 PolarHBondContact O-N 3.1Å; M232-V235 PolarHBondContact O-N 3.27Å; M232-T236 WeakPolarHBondContact O-CB 3.48Å; M232-T236 VanDerWaalsContact O-CG2 3.25Å; M232-T236 WeakPolarHBondContact O-CG2 3.47Å; M232-T236 PolarHBondContact O-N 2.89Å; M232-T236 PolarHBondContact O-OG1 2.82Å
233S93.3Very high89.8Confident1 Ų114.9 Ų14.91%0.0079%0.088CC..Hα-helixtrans-60.3-44.3174.6174.30000111.1E27 S229 T231 T236 T237 R240 R317E27-S233 PolarHBondContact OE1-OG 3.48Å; E27-S233 PolarHBondContact OE2-OG 2.64Å; S229-S233 WeakPolarHBondContact O-CB 3.39Å; S229-S233 PolarHBondContact O-N 2.96Å; T231-S233 VanDerWaalsContact C-N 3.34Å; T231-S233 PolarHBondContact O-N 2.92Å; S233-T236 PolarHBondContact O-N 3.45Å; S233-T236 PolarHBondContact O-OG1 2.77Å; S233-T237 PolarHBondContact O-N 2.89Å; S233-T237 VanDerWaalsContact O-N 3.12Å; S233-T237 PolarHBondContact O-OG1 2.72Å; S233-R240 PolarHBondContact O-NH2 3.23Å; S233-R240 PolarHBondContact OG-NH2 2.98Å; S233-R317 PolarHBondContact OG-NH1 2.93Å; S233-R317 VanDerWaalsContact OG-NH1 3.07Å
234G92.4Very high88.4Confident0 Ų021.1 Ų21.10%012%0.116CC..Hα-helixtrans-59.3-51.6176.300000113.8A230 T231 M232 T236 T237 I315 T365A230-G234 PolarHBondContact O-N 3.13Å; T231-G234 WeakPolarHBondContact O-CA 3.04Å; T231-G234 PolarHBondContact O-N 3.35Å; T231-G234 VanDerWaalsContact O-N 3.15Å; M232-G234 VanDerWaalsContact C-N 3.32Å; M232-G234 PolarHBondContact O-N 3.1Å; G234-T236 VanDerWaalsContact C-N 3.31Å; G234-T236 PolarHBondContact O-N 2.83Å; G234-T237 WeakPolarHBondContact O-CB 3.19Å; G234-T237 PolarHBondContact O-N 2.96Å; G234-T237 PolarHBondContact O-OG1 3.31Å; G234-T237 VanDerWaalsContact O-OG1 3.05Å; G234-I315 WeakPolarHBondContact O-CD1 3.3Å; G234-T365 WeakPolarHBondContact CA-OG1 3.32Å
235V91.3Very high87.2Confident6 Ų624.1 Ų24.14%0.03613%0.131CC..Hα-helixtrans-59.3-42.9178.8170.60000111.1F167 F199 T231 M232 T237 T365 I367F167-V235 HydrophobicContact CE1-CB 4.44Å; F167-V235 HydrophobicContact CE1-CG1 4.38Å; F167-V235 HydrophobicContact CZ-CB 4.36Å; F167-V235 HydrophobicContact CZ-CG1 3.98Å; F199-V235 HydrophobicContact CD1-CG1 4.39Å; F199-V235 HydrophobicContact CD1-CG2 4.18Å; F199-V235 HydrophobicContact CE1-CB 4.42Å; F199-V235 HydrophobicContact CE1-CG1 3.6Å; F199-V235 HydrophobicContact CE1-CG2 3.86Å; F199-V235 HydrophobicContact CE2-CG1 3.85Å; F199-V235 HydrophobicContact CZ-CG1 3.31Å; F199-V235 HydrophobicContact CZ-CG2 4.43Å; T231-V235 HydrophobicContact CG2-CG2 4.46Å; T231-V235 WeakPolarHBondContact O-CG2 3.39Å; T231-V235 PolarHBondContact O-N 3.44Å; M232-V235 PolarHBondContact O-N 3.27Å; V235-T237 VanDerWaalsContact C-N 3.27Å; V235-T237 PolarHBondContact O-N 2.79Å; V235-T365 HydrophobicContact CG2-CG2 4.11Å; V235-I367 HydrophobicContact CB-CD1 4.37Å; V235-I367 HydrophobicContact CG1-CD1 4.08Å; V235-I367 HydrophobicContact CG2-CD1 3.96Å; V235-I367 HydrophobicContact CG2-CG1 4.04Å
236T92.2Very high85.9Confident2 Ų223.7 Ų23.71%0.01213%0.129CC..THydrogen-bonded Turntrans-82.7-0.3-177.260.20000113.9F20 Y50 M232 S233 G234 C238 L239 R240F20-T236 HydrophobicContact CE2-CG2 4.29Å; F20-T236 HydrophobicContact CZ-CG2 4.39Å; Y50-T236 WeakPolarHBondContact OH-CG2 3.39Å; M232-T236 WeakPolarHBondContact O-CB 3.48Å; M232-T236 VanDerWaalsContact O-CG2 3.25Å; M232-T236 WeakPolarHBondContact O-CG2 3.47Å; M232-T236 PolarHBondContact O-N 2.89Å; M232-T236 PolarHBondContact O-OG1 2.82Å; S233-T236 PolarHBondContact O-N 3.45Å; S233-T236 PolarHBondContact O-OG1 2.77Å; G234-T236 VanDerWaalsContact C-N 3.31Å; G234-T236 PolarHBondContact O-N 2.83Å; T236-C238 PolarHBondContact O-N 3.41Å; T236-L239 HydrophobicContact CG2-CD1 4.43Å; T236-L239 WeakPolarHBondContact O-CB 3.37Å; T236-L239 PolarHBondContact O-N 2.98Å; T236-L239 VanDerWaalsContact O-N 3.1Å; T236-R240 WeakPolarHBondContact O-CG 3.32Å; T236-R240 PolarHBondContact O-N 3.2Å; T236-R240 PolarHBondContact OG1-NE 2.83Å; T236-R240 VanDerWaalsContact OG1-NE 3.11Å
237T91.4Very high84.9Confident1 Ų118.5 Ų18.51%0.00611%0.107CC..Hα-helixtrans-59.2-44.3-176.1-67.10000112S233 G234 V235 L239 R240 F241 I315 R317 C353S233-T237 PolarHBondContact O-N 2.89Å; S233-T237 VanDerWaalsContact O-N 3.12Å; S233-T237 PolarHBondContact O-OG1 2.72Å; G234-T237 WeakPolarHBondContact O-CB 3.19Å; G234-T237 PolarHBondContact O-N 2.96Å; G234-T237 PolarHBondContact O-OG1 3.31Å; G234-T237 VanDerWaalsContact O-OG1 3.05Å; V235-T237 VanDerWaalsContact C-N 3.27Å; V235-T237 PolarHBondContact O-N 2.79Å; T237-L239 PolarHBondContact O-N 2.84Å; T237-R240 PolarHBondContact O-N 3.1Å; T237-F241 HydrophobicContact CG2-CD2 4.1Å; T237-F241 PolarHBondContact O-N 2.98Å; T237-I315 HydrophobicContact CG2-CG2 4.16Å; T237-R317 HydrophobicContact CG2-CG 3.97Å; T237-R317 WeakPolarHBondContact OG1-CD 3.28Å; T237-R317 PolarHBondContact OG1-NE 2.98Å; T237-R317 PolarHBondContact OG1-NH1 3.28Å; T237-C353 HydrophobicContact CG2-CB 3.56Å
238C84.1Confident84.2Confident11 Ų1119 Ų197%0.07411%0.11CC..Hα-helixtrans-66.6-18.3-179.4-59.40000113.5R46 T236 N246R46-C238 PolarHBondContact NH1-O 3.04Å; T236-C238 PolarHBondContact O-N 3.41Å; C238-N246 HydrophobicContact CB-CB 4.37Å; C238-N246 VanDerWaalsContact CB-O 3.27Å; C238-N246 WeakPolarHBondContact CB-O 3.38Å
239L87.9Confident83.6Confident7 Ų719.3 Ų19.34%0.03711%0.112CC..Hα-helixtrans-84.6-46.1176.1-50.4172.3000109.9I4 R46 V49 T236 T237 L249I4-L239 HydrophobicContact CD1-CB 4.47Å; I4-L239 HydrophobicContact CD1-CD1 3.67Å; R46-L239 WeakPolarHBondContact CD-O 3.41Å; V49-L239 HydrophobicContact CG1-CB 4.38Å; T236-L239 HydrophobicContact CG2-CD1 4.43Å; T236-L239 WeakPolarHBondContact O-CB 3.37Å; T236-L239 PolarHBondContact O-N 2.98Å; T236-L239 VanDerWaalsContact O-N 3.1Å; T237-L239 PolarHBondContact O-N 2.84Å; L239-L249 HydrophobicContact CD1-CD2 3.56Å; L239-L249 HydrophobicContact CD1-CG 4.09Å; L239-L249 HydrophobicContact CD2-CD2 4.34Å; L239-L249 HydrophobicContact CD2-CG 4.32Å
240R91.6Very high83.4Confident0 Ų025.4 Ų25.40%013%0.134CC..Hα-helixtrans-81.1-25.2-171.8-70.3-174.1-56.6103.8-0.9115.5E27 H28 R46 Y50 S233 T236 T237E27-R240 IonicContact OE2-CZ 3.79Å; E27-R240 VanDerWaalsContact OE2-CZ 3.24Å; E27-R240 IonicContact OE2-NH1 2.71Å; E27-R240 PolarHBondContact OE2-NH1 3.2Å; E27-R240 IonicContact OE2-NH2 3.52Å; E27-R240 PolarHBondContact OE2-NH2 3.04Å; H28-R240 PolarHBondContact NE2-NH1 3.5Å; R46-R240 WeakPolarHBondContact CB-O 3.48Å; Y50-R240 HydrophobicContact CD2-CG 3.57Å; Y50-R240 HydrophobicContact CE2-CG 3.59Å; S233-R240 PolarHBondContact O-NH2 3.23Å; S233-R240 PolarHBondContact OG-NH2 2.98Å; T236-R240 WeakPolarHBondContact O-CG 3.32Å; T236-R240 PolarHBondContact O-N 3.2Å; T236-R240 PolarHBondContact OG1-NE 2.83Å; T236-R240 VanDerWaalsContact OG1-NE 3.11Å; T237-R240 PolarHBondContact O-N 3.1Å
241F88.6Confident83.2Confident1 Ų129.2 Ų29.20%0.00415%0.147CC..SBendtrans-123.7149.8-180-62.1-63000110.6E27 H28 R46 T237 G243 I355E27-F241 HydrophobicContact CB-CZ 4.2Å; H28-F241 AromaticContact CE1-CE1 3.72Å; R46-F241 PolarHBondContact NH1-O 3.39Å; T237-F241 HydrophobicContact CG2-CD2 4.1Å; T237-F241 PolarHBondContact O-N 2.98Å; F241-G243 PolarHBondContact O-N 3.28Å; F241-I355 HydrophobicContact CD1-CD1 3.33Å; F241-I355 HydrophobicContact CD1-CG1 4.47Å; F241-I355 HydrophobicContact CE1-CB 4.5Å; F241-I355 HydrophobicContact CE1-CD1 3.42Å; F241-I355 VanDerWaalsContact CE1-CD1 3.42Å; F241-I355 HydrophobicContact CE1-CG2 4.26Å; F241-I355 HydrophobicContact CE2-CB 4.45Å; F241-I355 HydrophobicContact CE2-CG2 4.18Å; F241-I355 HydrophobicContact CG-CD1 4.01Å; F241-I355 HydrophobicContact CZ-CB 4.44Å; F241-I355 HydrophobicContact CZ-CD1 4.16Å; F241-I355 HydrophobicContact CZ-CG2 3.92Å
242P80Confident83Confident39 Ų3929.6 Ų29.625%0.25315%0.149SC..  trans-60.6129.8173.728-36.7000110.2L42 E45L42-P242 HydrophobicContact CD2-CG 3.81Å; E45-P242 WeakPolarHBondContact OE2-CG 3.23Å
243G70.4Confident82.8Confident28 Ų2830.2 Ų30.229%0.28915%0.154SC..  trans-156.3154.4178.400000110.1F241F241-G243 PolarHBondContact O-N 3.28Å
244Q61.6Low82.7Confident180 Ų18035.4 Ų35.484%0.84119%0.186SC*.SBendtrans-76.9-24.1-175.2-65.9-173.6-12.700113.3
245L65.4Low82.7Confident63 Ų6338 Ų3833%0.3320%0.199SC..SBendtrans-121.1144.2-173.5-140.997.5000112.3A247 K349 T350 A351L245-A247 PolarHBondContact O-N 2.99Å; L245-K349 HydrophobicContact CD2-CB 3.8Å; L245-K349 HydrophobicContact CD2-CG 4.43Å; L245-T350 WeakPolarHBondContact CD2-O 3.19Å; L245-A351 HydrophobicContact CB-CB 4.25Å
246N66.2Low82.8Confident5 Ų537.7 Ų37.73%0.02720%0.198CC..  trans54.143.9177.1-60.3-21000115.4C238 D248 L252 N255C238-N246 HydrophobicContact CB-CB 4.37Å; C238-N246 VanDerWaalsContact CB-O 3.27Å; C238-N246 WeakPolarHBondContact CB-O 3.38Å; N246-D248 PolarHBondContact O-N 2.86Å; N246-L252 HydrophobicContact CB-CD1 4.34Å; N246-N255 PolarHBondContact OD1-ND2 3.11Å
247A67.3Low83Confident13 Ų1339 Ų3911%0.10721%0.205CC..  trans-73.71.6-174.700000116.2R2 L245R2-A247 PolarHBondContact NH1-O 2.9Å; L245-A247 PolarHBondContact O-N 2.99Å
248D78.3Confident83.1Confident21 Ų2141.2 Ų41.211%0.11222%0.22CC..SBendtrans-149.6159.5172.550.573.1000110.5R2 Q131 N246 R250 K251 L252R2-D248 IonicContact CZ-OD2 2.66Å; R2-D248 VanDerWaalsContact NH1-CB 3.28Å; R2-D248 IonicContact NH1-OD2 2.73Å; R2-D248 PolarHBondContact NH1-OD2 3.18Å; R2-D248 IonicContact NH2-OD2 2.79Å; R2-D248 PolarHBondContact NH2-OD2 3.39Å; Q131-D248 VanDerWaalsContact OE1-CA 3.23Å; N246-D248 PolarHBondContact O-N 2.86Å; D248-R250 VanDerWaalsContact C-N 3.28Å; D248-R250 PolarHBondContact O-N 3.35Å; D248-R250 PolarHBondContact OD1-N 3.25Å; D248-K251 PolarHBondContact O-N 2.95Å; D248-K251 WeakPolarHBondContact OD1-CB 3.48Å; D248-K251 PolarHBondContact OD1-N 3.27Å; D248-L252 PolarHBondContact O-N 3.28Å
249L82Confident83.6Confident8 Ų843.1 Ų43.14%0.04223%0.227CC..Hα-helixtrans-57.8-40.2179.7-72.9175.4000112I4 Q131 I163 L239 K251 L252 A253I4-L249 HydrophobicContact CD1-CD1 3.78Å; I4-L249 HydrophobicContact CD1-CD2 4.48Å; I4-L249 HydrophobicContact CD1-CG 4.01Å; I4-L249 HydrophobicContact CG1-CD1 3.93Å; Q131-L249 HydrophobicContact CB-CD1 4.29Å; Q131-L249 VanDerWaalsContact OE1-N 3.07Å; I163-L249 HydrophobicContact CB-CB 4.11Å; I163-L249 HydrophobicContact CB-CD1 4.47Å; I163-L249 HydrophobicContact CG1-CB 4.25Å; I163-L249 HydrophobicContact CG2-CB 3.95Å; I163-L249 HydrophobicContact CG2-CD1 4.36Å; L239-L249 HydrophobicContact CD1-CD2 3.56Å; L239-L249 HydrophobicContact CD1-CG 4.09Å; L239-L249 HydrophobicContact CD2-CD2 4.34Å; L239-L249 HydrophobicContact CD2-CG 4.32Å; L249-K251 PolarHBondContact O-N 3.11Å; L249-L252 WeakPolarHBondContact O-CB 3.28Å; L249-L252 PolarHBondContact O-N 2.98Å; L249-A253 PolarHBondContact O-N 3.37Å
250R87.8Confident83.9Confident129 Ų12948.2 Ų48.249%0.48726%0.26SS..Hα-helixtrans-64.7-41.3-178.7-174.5176.7-58.6-75.2-2.5112.2D161 I163 D248 L252 A253 V254D161-R250 PolarHBondContact O-NH2 3.13Å; I163-R250 HydrophobicContact CD1-CB 4.29Å; I163-R250 HydrophobicContact CD1-CG 4.41Å; I163-R250 HydrophobicContact CG1-CB 4.11Å; D248-R250 VanDerWaalsContact C-N 3.28Å; D248-R250 PolarHBondContact O-N 3.35Å; D248-R250 PolarHBondContact OD1-N 3.25Å; R250-L252 VanDerWaalsContact C-N 3.32Å; R250-A253 PolarHBondContact O-N 2.94Å; R250-V254 HydrophobicContact CG-CG2 4.39Å; R250-V254 WeakPolarHBondContact O-CB 3.11Å; R250-V254 VanDerWaalsContact O-CG2 3.25Å; R250-V254 WeakPolarHBondContact O-CG2 3.33Å; R250-V254 PolarHBondContact O-N 3.18Å
251K88.5Confident84.2Confident99 Ų9950.8 Ų50.843%0.4327%0.27SS..Hα-helixtrans-68.2-33.6177.9-175.9174.9-71.9-178.80111.6D248 L249 N255D248-K251 PolarHBondContact O-N 2.95Å; D248-K251 WeakPolarHBondContact OD1-CB 3.48Å; D248-K251 PolarHBondContact OD1-N 3.27Å; L249-K251 PolarHBondContact O-N 3.11Å; K251-N255 WeakPolarHBondContact O-CB 3.4Å; K251-N255 PolarHBondContact O-N 3.37Å; K251-N255 PolarHBondContact O-ND2 3.45Å; K251-N255 VanDerWaalsContact O-ND2 3.13Å
252L87.4Confident84.6Confident8 Ų850.8 Ų50.84%0.04227%0.27CS..Hα-helixtrans-63.2-51.9170.7-176.364.1000110.2F199 N246 D248 L249 R250 V254 N255 M256 A313F199-L252 HydrophobicContact CZ-CD2 4.49Å; N246-L252 HydrophobicContact CB-CD1 4.34Å; D248-L252 PolarHBondContact O-N 3.28Å; L249-L252 WeakPolarHBondContact O-CB 3.28Å; L249-L252 PolarHBondContact O-N 2.98Å; R250-L252 VanDerWaalsContact C-N 3.32Å; L252-V254 PolarHBondContact O-N 3.2Å; L252-N255 PolarHBondContact O-N 2.65Å; L252-N255 VanDerWaalsContact O-N 3.11Å; L252-M256 HydrophobicContact CD1-CG 3.76Å; L252-M256 HydrophobicContact CG-CG 4.25Å; L252-M256 WeakPolarHBondContact O-CB 3.36Å; L252-M256 VanDerWaalsContact O-CG 3.29Å; L252-M256 WeakPolarHBondContact O-CG 3.29Å; L252-M256 PolarHBondContact O-N 3.28Å; L252-A313 HydrophobicContact CD1-CB 4.46Å
253A90.9Very high85.4Confident12 Ų1248.9 Ų48.910%0.09926%0.258CS..Hα-helixtrans-56.4-49.2-18000000112I163 E197 L249 R250 N255 M256 V257I163-A253 HydrophobicContact CD1-CB 4.47Å; E197-A253 HydrophobicContact CG-CB 4.07Å; E197-A253 WeakPolarHBondContact OE1-CA 3.43Å; E197-A253 VanDerWaalsContact OE1-CB 3.3Å; E197-A253 WeakPolarHBondContact OE1-CB 3.47Å; E197-A253 PolarHBondContact OE1-N 3.31Å; L249-A253 PolarHBondContact O-N 3.37Å; R250-A253 PolarHBondContact O-N 2.94Å; A253-N255 VanDerWaalsContact C-N 3.26Å; A253-N255 PolarHBondContact O-N 2.84Å; A253-M256 PolarHBondContact O-N 2.84Å; A253-M256 VanDerWaalsContact O-N 3.1Å; A253-V257 WeakPolarHBondContact O-CB 3.34Å; A253-V257 PolarHBondContact O-N 2.87Å
254V92.1Very high86.7Confident110 Ų11047.7 Ų47.767%0.66725%0.245SC*.Hα-helixtrans-59.6-35.1179169.40000112.5R250 L252R250-V254 HydrophobicContact CG-CG2 4.39Å; R250-V254 WeakPolarHBondContact O-CB 3.11Å; R250-V254 VanDerWaalsContact O-CG2 3.25Å; R250-V254 WeakPolarHBondContact O-CG2 3.33Å; R250-V254 PolarHBondContact O-N 3.18Å; L252-V254 PolarHBondContact O-N 3.2Å
255N91.5Very high88.4Confident54 Ų5439.1 Ų39.129%0.28921%0.205SC..Hα-helixtrans-81.9-23.1178.9-75.7-31.9000113.2N246 K251 L252 A253 T311N246-N255 PolarHBondContact OD1-ND2 3.11Å; K251-N255 WeakPolarHBondContact O-CB 3.4Å; K251-N255 PolarHBondContact O-N 3.37Å; K251-N255 PolarHBondContact O-ND2 3.45Å; K251-N255 VanDerWaalsContact O-ND2 3.13Å; L252-N255 PolarHBondContact O-N 2.65Å; L252-N255 VanDerWaalsContact O-N 3.11Å; A253-N255 VanDerWaalsContact C-N 3.26Å; A253-N255 PolarHBondContact O-N 2.84Å; N255-T311 WeakPolarHBondContact O-CG2 3.34Å
256M93.5Very high89.9Confident1 Ų136.2 Ų36.21%0.00519%0.189CC..Hα-helixtrans-107.1-23.1-169.8-68-58.6-61.700113.9L252 A253 P258 F265 T311 A313 I367 N369L252-M256 HydrophobicContact CD1-CG 3.76Å; L252-M256 HydrophobicContact CG-CG 4.25Å; L252-M256 WeakPolarHBondContact O-CB 3.36Å; L252-M256 VanDerWaalsContact O-CG 3.29Å; L252-M256 WeakPolarHBondContact O-CG 3.29Å; L252-M256 PolarHBondContact O-N 3.28Å; A253-M256 PolarHBondContact O-N 2.84Å; A253-M256 VanDerWaalsContact O-N 3.1Å; M256-P258 VanDerWaalsContact O-CD 3.23Å; M256-P258 WeakPolarHBondContact O-CD 3.46Å; M256-F265 HydrophobicContact CB-CE1 3.84Å; M256-F265 HydrophobicContact CB-CE2 4.4Å; M256-F265 HydrophobicContact CB-CZ 3.56Å; M256-F265 HydrophobicContact CE-CE1 4.5Å; M256-T311 WeakPolarHBondContact CA-OG1 3.47Å; M256-T311 WeakPolarHBondContact CE-OG1 3.26Å; M256-T311 PolarHBondContact O-OG1 3.24Å; M256-A313 HydrophobicContact CE-CB 4.22Å; M256-A313 HydrophobicContact SD-CB 3.57Å; M256-A313 VanDerWaalsContact SD-CB 3.57Å; M256-I367 HydrophobicContact CE-CB 4.3Å; M256-I367 HydrophobicContact CE-CG2 3.89Å; M256-I367 VanDerWaalsContact CE-O 3.31Å; M256-I367 WeakPolarHBondContact CE-O 3.31Å; M256-N369 HydrophobicContact CE-CB 4.46Å; M256-N369 PolarHBondContact O-ND2 2.89Å
257V95.6Very high91.3Very high28 Ų2836 Ų3617%0.1719%0.188CC..  trans-11490.8-173.7-173.70000109.7A253 F259 H263 F265A253-V257 WeakPolarHBondContact O-CB 3.34Å; A253-V257 PolarHBondContact O-N 2.87Å; V257-F259 VanDerWaalsContact C-N 3.33Å; V257-F259 WeakPolarHBondContact CG1-O 3.45Å; V257-H263 HydrophobicContact CG1-CB 3.98Å; V257-H263 HydrophobicContact CG2-CB 3.92Å; V257-F265 HydrophobicContact CG2-CE1 4.05Å; V257-F265 HydrophobicContact CG2-CZ 3.6Å
258P94.5Very high92.6Very high49 Ų4935.4 Ų35.432%0.31818%0.183SC..SBendtrans-70.8-30.8175.227.3-32.6000112.3M256 L310 T311 I344M256-P258 VanDerWaalsContact O-CD 3.23Å; M256-P258 WeakPolarHBondContact O-CD 3.46Å; P258-L310 HydrophobicContact CG-CB 4.21Å; P258-L310 HydrophobicContact CG-CD1 4.25Å; P258-T311 HydrophobicContact CG-CG2 4.48Å; P258-I344 HydrophobicContact CB-CD1 3.95Å; P258-I344 HydrophobicContact CG-CD1 4.04Å
259F95.4Very high93.4Very high51 Ų5135 Ų3522%0.22418%0.181CC..SBendtrans-127.9133.4-179.5-54.1-71.2000110.5V257 R261 L262 W343 Y442V257-F259 VanDerWaalsContact C-N 3.33Å; V257-F259 WeakPolarHBondContact CG1-O 3.45Å; F259-R261 VanDerWaalsContact C-N 3.26Å; F259-R261 PolarHBondContact O-N 2.9Å; F259-R261 VanDerWaalsContact O-N 3.09Å; F259-L262 HydrophobicContact CB-CB 4.28Å; F259-L262 HydrophobicContact CB-CD1 4.3Å; F259-L262 HydrophobicContact CB-CG 4.1Å; F259-L262 HydrophobicContact CD2-CD1 3.91Å; F259-L262 HydrophobicContact CG-CD1 4.48Å; F259-L262 PolarHBondContact O-N 2.97Å; F259-W343 AromaticContact CE2-CH2 3.54Å; F259-W343 HydrophobicContact CE2-CH2 3.54Å; F259-W343 AromaticContact CE2-CZ3 4Å; F259-W343 HydrophobicContact CE2-CZ3 4Å; F259-W343 AromaticContact CZ-CH2 3.82Å; F259-W343 HydrophobicContact CZ-CH2 3.82Å; F259-W343 AromaticContact CZ-CZ3 3.84Å; F259-W343 HydrophobicContact CZ-CZ3 3.84Å; F259-Y442 HydrophobicContact CD1-CE1 4.43Å; F259-Y442 HydrophobicContact CD1-CE2 4.49Å; F259-Y442 AromaticContact CD1-CZ 3.89Å; F259-Y442 WeakPolarHBondContact CD1-OH 3.23Å; F259-Y442 HydrophobicContact CD2-CD1 4.43Å; F259-Y442 HydrophobicContact CD2-CD2 4.14Å; F259-Y442 HydrophobicContact CD2-CE1 4.12Å; F259-Y442 AromaticContact CD2-CE2 3.78Å; F259-Y442 HydrophobicContact CD2-CE2 3.78Å; F259-Y442 HydrophobicContact CD2-CG 4.44Å; F259-Y442 AromaticContact CD2-CZ 3.76Å; F259-Y442 AromaticContact CE1-CE1 3.74Å; F259-Y442 HydrophobicContact CE1-CE1 3.74Å; F259-Y442 AromaticContact CE1-CZ 3.65Å; F259-Y442 VanDerWaalsContact CE1-OH 3.32Å; F259-Y442 WeakPolarHBondContact CE1-OH 3.43Å; F259-Y442 AromaticContact CE2-CD1 3.54Å; F259-Y442 HydrophobicContact CE2-CD1 3.54Å; F259-Y442 HydrophobicContact CE2-CD2 4.02Å; F259-Y442 AromaticContact CE2-CE1 3.32Å; F259-Y442 HydrophobicContact CE2-CE1 3.32Å; F259-Y442 AromaticContact CE2-CE2 3.81Å; F259-Y442 HydrophobicContact CE2-CE2 3.81Å; F259-Y442 AromaticContact CE2-CG 3.89Å; F259-Y442 HydrophobicContact CE2-CG 3.89Å; F259-Y442 AromaticContact CE2-CZ 3.45Å; F259-Y442 VanDerWaalsContact CE2-CZ 3.45Å; F259-Y442 HydrophobicContact CG-CE2 4.11Å; F259-Y442 AromaticContact CG-CZ 3.95Å; F259-Y442 AromaticContact CZ-CD1 3.73Å; F259-Y442 HydrophobicContact CZ-CD1 3.73Å; F259-Y442 AromaticContact CZ-CE1 3.12Å; F259-Y442 HydrophobicContact CZ-CE1 3.12Å; F259-Y442 HydrophobicContact CZ-CE2 4.25Å; F259-Y442 HydrophobicContact CZ-CG 4.5Å; F259-Y442 AromaticContact CZ-CZ 3.42Å; F259-Y442 VanDerWaalsContact CZ-CZ 3.42Å
260P94.2Very high93.9Very high113 Ų11334.6 Ų34.673%0.73418%0.179SC*.THydrogen-bonded Turntrans-56.3-31.5-170.1-2935.3000116H263P260-H263 PolarHBondContact O-CE1 3.02Å; P260-H263 PolarHBondContact O-ND1 2.97Å
261R96.5Very high94.1Very high55 Ų5528.9 Ų28.921%0.20816%0.158CC..THydrogen-bonded Turntrans-87.7-15-179-68.816957.696.4-8113.5V192 E193 F259 H263 N431 L435 E438V192-R261 HydrophobicContact CG1-CB 4.17Å; V192-R261 HydrophobicContact CG1-CG 3.9Å; E193-R261 IonicContact OE1-NH1 3.53Å; E193-R261 PolarHBondContact OE1-NH1 2.88Å; F259-R261 VanDerWaalsContact C-N 3.26Å; F259-R261 PolarHBondContact O-N 2.9Å; F259-R261 VanDerWaalsContact O-N 3.09Å; R261-H263 PolarHBondContact O-N 2.7Å; R261-H263 PolarHBondContact O-ND1 2.83Å; R261-H263 VanDerWaalsContact O-ND1 3.13Å; R261-N431 PolarHBondContact NH1-OD1 2.96Å; R261-N431 PolarHBondContact NH2-OD1 3.34Å; R261-L435 HydrophobicContact CB-CD1 4.45Å; R261-L435 WeakPolarHBondContact O-CD1 3.42Å; R261-E438 IonicContact CZ-OE1 3.22Å; R261-E438 VanDerWaalsContact CZ-OE1 3.27Å; R261-E438 IonicContact NE-OE1 3.51Å; R261-E438 PolarHBondContact NE-OE1 3.5Å; R261-E438 IonicContact NE-OE2 2.95Å; R261-E438 PolarHBondContact NE-OE2 3.34Å; R261-E438 IonicContact NH2-OE1 3.24Å; R261-E438 PolarHBondContact NH2-OE1 2.77Å
262L97.1Very high94.1Very high0 Ų024.5 Ų24.50%014%0.14CC..  trans-101.352.7-176.1-52.3-168.8000111F259 L310 N369 L435 E438 Y439 Y442F259-L262 HydrophobicContact CB-CB 4.28Å; F259-L262 HydrophobicContact CB-CD1 4.3Å; F259-L262 HydrophobicContact CB-CG 4.1Å; F259-L262 HydrophobicContact CD2-CD1 3.91Å; F259-L262 HydrophobicContact CG-CD1 4.48Å; F259-L262 PolarHBondContact O-N 2.97Å; L262-L310 HydrophobicContact CB-CD1 4.47Å; L262-L310 HydrophobicContact CD1-CD1 4.1Å; L262-N369 PolarHBondContact O-ND2 2.95Å; L262-N369 PolarHBondContact O-OD1 2.95Å; L262-L435 HydrophobicContact CD2-CD1 3.77Å; L262-E438 HydrophobicContact CD2-CB 4.07Å; L262-Y439 HydrophobicContact CB-CE1 3.92Å; L262-Y439 HydrophobicContact CD1-CD1 4.14Å; L262-Y439 HydrophobicContact CD1-CE1 4.18Å; L262-Y439 HydrophobicContact CD2-CD1 4Å; L262-Y439 HydrophobicContact CD2-CD2 3.96Å; L262-Y439 HydrophobicContact CD2-CE1 3.81Å; L262-Y439 HydrophobicContact CD2-CE2 3.74Å; L262-Y439 HydrophobicContact CD2-CG 4.08Å; L262-Y439 HydrophobicContact CG-CE1 4.18Å; L262-Y442 HydrophobicContact CD1-CD2 3.38Å; L262-Y442 HydrophobicContact CD1-CE2 3.66Å; L262-Y442 HydrophobicContact CD1-CG 4.39Å
263H97.2Very high93.5Very high0 Ų025.4 Ų25.40%015%0.145CC..  trans-105.314.4-177.455-69.9000113.5L191 V192 T195 D196 T198 V257 P260 R261L191-H263 PolarHBondContact O-NE2 3.06Å; V192-H263 PolarHBondContact O-CE1 2.78Å; V192-H263 VanDerWaalsContact O-CE1 3.25Å; T195-H263 PolarHBondContact O-CD2 2.76Å; T195-H263 VanDerWaalsContact O-CD2 3.28Å; T195-H263 PolarHBondContact O-NE2 3.14Å; T195-H263 PolarHBondContact OG1-CD2 3.44Å; T195-H263 VanDerWaalsContact OG1-CD2 3.23Å; T195-H263 PolarHBondContact OG1-NE2 3.15Å; D196-H263 VanDerWaalsContact O-CB 3.24Å; D196-H263 WeakPolarHBondContact O-CB 3.41Å; T198-H263 PolarHBondContact N-O 3.1Å; V257-H263 HydrophobicContact CG1-CB 3.98Å; V257-H263 HydrophobicContact CG2-CB 3.92Å; P260-H263 PolarHBondContact O-CE1 3.02Å; P260-H263 PolarHBondContact O-ND1 2.97Å; R261-H263 PolarHBondContact O-N 2.7Å; R261-H263 PolarHBondContact O-ND1 2.83Å; R261-H263 VanDerWaalsContact O-ND1 3.13Å
264F98Very high92.8Very high3 Ų325.6 Ų25.61%0.01315%0.146CC..EExtended strand (participates in β ladder)trans-87.6111.4175.7-61.2-85.6000110.8L191 V192 T198 I373 F377 L435L191-F264 HydrophobicContact CB-CE1 4.13Å; L191-F264 HydrophobicContact CB-CZ 4.17Å; V192-F264 HydrophobicContact CG2-CE2 3.79Å; V192-F264 HydrophobicContact CG2-CZ 3.76Å; T198-F264 HydrophobicContact CG2-CD1 3.6Å; T198-F264 HydrophobicContact CG2-CE1 3.82Å; T198-F264 CarbonylContact O-C 3.53Å; T198-F264 WeakPolarHBondContact O-CA 3.48Å; F264-I373 HydrophobicContact CB-CG1 4.24Å; F264-F377 HydrophobicContact CB-CE2 4.21Å; F264-F377 HydrophobicContact CB-CZ 4.02Å; F264-F377 HydrophobicContact CD1-CE1 4.48Å; F264-F377 AromaticContact CD1-CZ 3.71Å; F264-F377 HydrophobicContact CD1-CZ 3.71Å; F264-F377 HydrophobicContact CD2-CE2 4.17Å; F264-F377 AromaticContact CD2-CZ 3.8Å; F264-F377 HydrophobicContact CD2-CZ 3.8Å; F264-F377 HydrophobicContact CE1-CZ 4.07Å; F264-F377 HydrophobicContact CE2-CZ 4.17Å; F264-F377 HydrophobicContact CG-CE2 4.1Å; F264-F377 AromaticContact CG-CZ 3.56Å; F264-F377 HydrophobicContact CG-CZ 3.56Å; F264-F377 HydrophobicContact CZ-CZ 4.29Å; F264-L435 HydrophobicContact CD2-CD2 4.16Å; F264-L435 HydrophobicContact CE2-CD1 4.31Å; F264-L435 HydrophobicContact CE2-CD2 3.75Å; F264-L435 HydrophobicContact CZ-CD2 4.43Å
265F97.2Very high91.9Very high0 Ų030.9 Ų30.90%015%0.154CC..EExtended strand (participates in β ladder)trans-96146.1-177-54.5-40000112.2E197 T198 F199 C200 M256 V257 P267 I367 G368 N369E197-F265 HydrophobicContact CB-CE2 3.81Å; E197-F265 HydrophobicContact CG-CE2 3.79Å; E197-F265 HydrophobicContact CG-CZ 4.22Å; T198-F265 PolarHBondContact O-N 3.49Å; F199-F265 HydrophobicContact CD1-CB 4.13Å; F199-F265 HydrophobicContact CD1-CD2 4.05Å; F199-F265 HydrophobicContact CE1-CB 4.36Å; F199-F265 AromaticContact CE1-CD2 3.68Å; F199-F265 HydrophobicContact CE1-CD2 3.68Å; F199-F265 HydrophobicContact CE1-CG 4.47Å; F199-F265 HydrophobicContact CE2-CD2 4.35Å; F199-F265 AromaticContact CZ-CD2 3.82Å; F199-F265 HydrophobicContact CZ-CD2 3.82Å; F199-F265 HydrophobicContact CZ-CE2 4.25Å; C200-F265 WeakPolarHBondContact CB-O 3.47Å; C200-F265 PolarHBondContact N-O 3.37Å; M256-F265 HydrophobicContact CB-CE1 3.84Å; M256-F265 HydrophobicContact CB-CE2 4.4Å; M256-F265 HydrophobicContact CB-CZ 3.56Å; M256-F265 HydrophobicContact CE-CE1 4.5Å; V257-F265 HydrophobicContact CG2-CE1 4.05Å; V257-F265 HydrophobicContact CG2-CZ 3.6Å; F265-P267 VanDerWaalsContact O-CD 3.26Å; F265-P267 WeakPolarHBondContact O-CD 3.46Å; F265-I367 HydrophobicContact CB-CG2 3.79Å; F265-I367 HydrophobicContact CD1-CG2 4.48Å; F265-I367 HydrophobicContact CD2-CG2 3.91Å; F265-I367 HydrophobicContact CG-CG2 3.81Å; F265-G368 WeakPolarHBondContact CA-O 3.3Å; F265-N369 HydrophobicContact CD1-CB 3.91Å; F265-N369 HydrophobicContact CE1-CB 4.04Å
266M96.3Very high90.9Very high1 Ų131 Ų311%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-94.3101.5166.3-66.9178.465.900108.9M298 A300 C302 P304 G368 A372 I373M266-M298 HydrophobicContact CE-CB 4.25Å; M266-M298 HydrophobicContact CE-CG 4.11Å; M266-A300 HydrophobicContact CB-CB 4.43Å; M266-A300 HydrophobicContact CE-CB 4.39Å; M266-A300 HydrophobicContact CG-CB 4.06Å; M266-C302 HydrophobicContact CE-CB 3.63Å; M266-C302 HydrophobicContact SD-CB 4.21Å; M266-P304 HydrophobicContact CE-CG 4.06Å; M266-G368 PolarHBondContact N-O 3.38Å; M266-G368 PolarHBondContact O-N 3.12Å; M266-A372 HydrophobicContact SD-CB 4.39Å; M266-I373 HydrophobicContact CG-CB 4.31Å; M266-I373 HydrophobicContact CG-CD1 3.75Å; M266-I373 HydrophobicContact CG-CG1 4.44Å; M266-I373 HydrophobicContact SD-CB 4.43Å
267P96.3Very high90Very high1 Ų133 Ų331%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-80.5152.6175.928.5-23.7000110.8F199 C200 I201 T231 F265 M299 F366F199-P267 HydrophobicContact CB-CG 4.48Å; F199-P267 HydrophobicContact CD1-CB 4.39Å; C200-P267 WeakPolarHBondContact O-CD 3.12Å; I201-P267 HydrophobicContact CG1-CG 4.4Å; T231-P267 HydrophobicContact CG2-CB 3.55Å; T231-P267 HydrophobicContact CG2-CG 4.2Å; F265-P267 VanDerWaalsContact O-CD 3.26Å; F265-P267 WeakPolarHBondContact O-CD 3.46Å; P267-M299 HydrophobicContact CG-CB 4.07Å; P267-M299 WeakPolarHBondContact O-CB 3.21Å; P267-M299 PolarHBondContact O-N 2.83Å; P267-F366 CarbonylContact C-O 3.53Å; P267-F366 VanDerWaalsContact CA-O 3.32Å; P267-F366 WeakPolarHBondContact CA-O 3.48Å
268G95.2Very high88.9Confident0 Ų036.8 Ų36.80%020%0.197CC..EExtended strand (participates in β ladder)trans-145.3158.2174.600000111.1N297 T365 F366G268-N297 WeakPolarHBondContact CA-O 3.36Å; G268-T365 WeakPolarHBondContact O-CG2 3.35Å; G268-F366 PolarHBondContact N-O 3.28Å; G268-F366 PolarHBondContact O-N 3.44Å
269F94.1Very high87.7Confident13 Ų1338.1 Ų38.16%0.05722%0.22CC..EExtended strand (participates in β ladder)trans-136.3143.2178.5-174.1-93.9000111A230 L272 N297 M299 L360A230-F269 HydrophobicContact CB-CD2 4.39Å; A230-F269 HydrophobicContact CB-CE1 4.45Å; A230-F269 HydrophobicContact CB-CE2 4.24Å; A230-F269 HydrophobicContact CB-CZ 4.27Å; F269-L272 HydrophobicContact CD1-CD2 4.09Å; F269-L272 WeakPolarHBondContact O-CG 3.48Å; F269-N297 PolarHBondContact O-ND2 3.21Å; F269-M299 HydrophobicContact CB-CE 3.81Å; F269-L360 HydrophobicContact CE1-CD1 4.24Å; F269-L360 HydrophobicContact CZ-CD1 4.03Å
270A93.1Very high86.7Confident0 Ų045.7 Ų45.70%025%0.249CC..EExtended strand (participates in β ladder)trans-138141.8171.300000109.4L288 Q291 M292 S363 A364A270-L288 HydrophobicContact CB-CD2 4.01Å; A270-Q291 HydrophobicContact CB-CB 3.79Å; A270-M292 HydrophobicContact CB-CG 4.2Å; A270-S363 CarbonylContact O-C 3.54Å; A270-S363 VanDerWaalsContact O-CA 3.29Å; A270-S363 WeakPolarHBondContact O-CA 3.3Å; A270-S363 WeakPolarHBondContact O-CB 3.01Å; A270-A364 PolarHBondContact N-O 3.22Å; A270-A364 PolarHBondContact O-N 2.8Å; A270-A364 VanDerWaalsContact O-O 3.12Å
271P92.3Very high85.7Confident8 Ų845.8 Ų45.85%0.05224%0.235CC..  cis-86143.43.234.5-35.3000113.3T273 L283 L288 L360P271-T273 HydrophobicContact CB-CG2 4.18Å; P271-L283 HydrophobicContact CB-CD2 3.38Å; P271-L283 HydrophobicContact CG-CD1 4.01Å; P271-L283 HydrophobicContact CG-CD2 3.58Å; P271-L283 HydrophobicContact CG-CG 4.47Å; P271-L288 HydrophobicContact CB-CD2 4.31Å; P271-L288 HydrophobicContact CG-CD2 4.5Å; P271-L360 HydrophobicContact CG-CD1 4.33Å; P271-L360 HydrophobicContact CG-CD2 4.12Å
272L87.1Confident84.6Confident8 Ų846.9 Ų46.94%0.04226%0.255CS..  trans-10698.4165.2-65175.3000108.4I209 T213 L214 L227 F269 N297 M299I209-L272 HydrophobicContact CD1-CD1 4.2Å; I209-L272 HydrophobicContact CG1-CD1 4.49Å; I209-L272 HydrophobicContact CG2-CD1 3.85Å; T213-L272 HydrophobicContact CG2-CB 4.03Å; L214-L272 HydrophobicContact CD2-CB 4.49Å; L227-L272 HydrophobicContact CD2-CD2 3.52Å; F269-L272 HydrophobicContact CD1-CD2 4.09Å; F269-L272 WeakPolarHBondContact O-CG 3.48Å; L272-N297 HydrophobicContact CD1-CB 4.17Å; L272-M299 HydrophobicContact CD1-CE 4.43Å; L272-M299 HydrophobicContact CD2-CE 4.48Å
273T74.8Confident84.1Confident27 Ų2749.1 Ų49.117%0.16627%0.267CS..  trans-125.5135.4-176.8570000111.1L214 P271L214-T273 WeakPolarHBondContact CD2-O 3.33Å; P271-T273 HydrophobicContact CB-CG2 4.18Å
274S76.8Confident83.8Confident15 Ų1552 Ų5211%0.10529%0.285CS..  trans-65151.7171.779.20000110.3L214 G276 S277 Q278L214-S274 VanDerWaalsContact O-CB 3.28Å; L214-S274 WeakPolarHBondContact O-CB 3.16Å; S274-G276 PolarHBondContact O-N 3.07Å; S274-G276 VanDerWaalsContact O-N 3.12Å; S274-S277 PolarHBondContact O-N 3.04Å; S274-S277 WeakPolarHBondContact OG-CB 3.25Å; S274-S277 PolarHBondContact OG-N 3.28Å; S274-S277 PolarHBondContact OG-OG 2.88Å; S274-Q278 PolarHBondContact O-N 2.96Å
275R72.8Confident83.6Confident222 Ų22252 Ų5284%0.83829%0.285SS*.THydrogen-bonded Turntrans-53-35.4176.1-65.3-177.2-177.6179.12.2112.5
276G70.2Confident83.4Confident56 Ų5654.1 Ų54.158%0.57730%0.299SS*.THydrogen-bonded Turntrans-74.8-24.8178.100000114.3S274 Y280S274-G276 PolarHBondContact O-N 3.07Å; S274-G276 VanDerWaalsContact O-N 3.12Å; G276-Y280 VanDerWaalsContact O-CD2 3.28Å; G276-Y280 WeakPolarHBondContact O-CD2 3.33Å; G276-Y280 VanDerWaalsContact O-CE2 3.29Å; G276-Y280 WeakPolarHBondContact O-CE2 3.42Å
277S74.8Confident83.2Confident44 Ų4455.8 Ų55.831%0.30831%0.306SS..THydrogen-bonded Turntrans-93.6-17.7-179.8-55.80000113.6S274 G279 Y280 R281S274-S277 PolarHBondContact O-N 3.04Å; S274-S277 WeakPolarHBondContact OG-CB 3.25Å; S274-S277 PolarHBondContact OG-N 3.28Å; S274-S277 PolarHBondContact OG-OG 2.88Å; S277-G279 VanDerWaalsContact C-N 3.26Å; S277-G279 PolarHBondContact O-N 3.02Å; S277-Y280 PolarHBondContact O-N 3.36Å; S277-R281 PolarHBondContact O-N 2.83Å
278Q72.2Confident83.1Confident106 Ų10655.8 Ų55.850%0.49531%0.306SS..THydrogen-bonded Turntrans-57.5-36-173.7-167.3178.32.300113.1S274 Y280S274-Q278 PolarHBondContact O-N 2.96Å; Q278-Y280 VanDerWaalsContact C-N 3.32Å; Q278-Y280 PolarHBondContact O-N 3.22Å
279G70.5Confident83.1Confident77 Ų7755.8 Ų55.879%0.79431%0.306SS*.THydrogen-bonded Turntrans-75.5-14178.400000115.3S277S277-G279 VanDerWaalsContact C-N 3.26Å; S277-G279 PolarHBondContact O-N 3.02Å
280Y73.6Confident83Confident210 Ų21062.3 Ų62.382%0.82434%0.337SS*.THydrogen-bonded Turntrans-105.6-13.7-173.8-60.9-78.1000113.7G276 S277 Q278G276-Y280 VanDerWaalsContact O-CD2 3.28Å; G276-Y280 WeakPolarHBondContact O-CD2 3.33Å; G276-Y280 VanDerWaalsContact O-CE2 3.29Å; G276-Y280 WeakPolarHBondContact O-CE2 3.42Å; S277-Y280 PolarHBondContact O-N 3.36Å; Q278-Y280 VanDerWaalsContact C-N 3.32Å; Q278-Y280 PolarHBondContact O-N 3.22Å
281R73.7Confident83Confident116 Ų11663 Ų6344%0.43834%0.34SS..  trans-98.9120.7-178.8-75-175.1176.5-167.67.4111S277 L283 E287S277-R281 PolarHBondContact O-N 2.83Å; R281-L283 PolarHBondContact O-N 3.02Å; R281-E287 WeakPolarHBondContact CD-OE1 3.25Å; R281-E287 IonicContact NE-OE1 3.97Å; R281-E287 IonicContact NH1-OE1 3.68Å
282A73.4Confident83Confident77 Ų7762.7 Ų62.764%0.63634%0.338SS*.  trans-82.497.7168.600000108.5T284A282-T284 WeakPolarHBondContact O-CG2 3.43Å; A282-T284 PolarHBondContact O-N 2.88Å; A282-T284 VanDerWaalsContact O-N 3.14Å
283L85.5Confident83.2Confident47 Ų4763.7 Ų63.725%0.24634%0.342CS..  trans-58.4117.4175.9-67.9167.4000109.6P271 R281 L288 M362P271-L283 HydrophobicContact CB-CD2 3.38Å; P271-L283 HydrophobicContact CG-CD1 4.01Å; P271-L283 HydrophobicContact CG-CD2 3.58Å; P271-L283 HydrophobicContact CG-CG 4.47Å; R281-L283 PolarHBondContact O-N 3.02Å; L283-L288 HydrophobicContact CD2-CD2 4.46Å; L283-M362 HydrophobicContact CB-CE 4.28Å; L283-M362 WeakPolarHBondContact O-CE 3.42Å
284T92Very high84.1Confident61 Ų6164.7 Ų64.737%0.37435%0.346SS..  trans-130.1161.9176.760.70000110.4A282 E287 L288A282-T284 WeakPolarHBondContact O-CG2 3.43Å; A282-T284 PolarHBondContact O-N 2.88Å; A282-T284 VanDerWaalsContact O-N 3.14Å; T284-E287 PolarHBondContact O-N 3.21Å; T284-E287 PolarHBondContact OG1-N 2.64Å; T284-L288 WeakPolarHBondContact O-CG 3.43Å; T284-L288 PolarHBondContact O-N 3.11Å
285V93.5Very high84.7Confident4 Ų465.2 Ų65.22%0.02435%0.352CS..Hα-helixtrans-57.2-45.7177.4178.30000111.9E287 L288 T289 F316 M320 E324 V325 Q328V285-E287 VanDerWaalsContact C-N 3.32Å; V285-E287 PolarHBondContact O-N 3.31Å; V285-L288 PolarHBondContact O-N 3.37Å; V285-T289 WeakPolarHBondContact O-CB 3.32Å; V285-T289 PolarHBondContact O-N 3.04Å; V285-T289 PolarHBondContact O-OG1 3.37Å; V285-T289 VanDerWaalsContact O-OG1 3.06Å; V285-F316 HydrophobicContact CG1-CE1 4.22Å; V285-M320 HydrophobicContact CG2-CB 3.9Å; V285-M320 HydrophobicContact CG2-CG 4.39Å; V285-M320 HydrophobicContact CG2-SD 3.93Å; V285-E324 HydrophobicContact CB-CG 4.05Å; V285-E324 HydrophobicContact CG1-CG 4.23Å; V285-E324 HydrophobicContact CG2-CG 4.44Å; V285-V325 HydrophobicContact CG1-CB 4.41Å; V285-V325 HydrophobicContact CG1-CG2 3.8Å; V285-V325 HydrophobicContact CG2-CG2 4.38Å; V285-Q328 HydrophobicContact CG1-CB 4.44Å; V285-Q328 HydrophobicContact CG1-CG 4.11Å
286P93.9Very high85.6Confident44 Ų4461.2 Ų61.229%0.28634%0.34SS..Hα-helixtrans-59.6-38.5175.2-23.934000113.7Q290 Q328P286-Q290 WeakPolarHBondContact O-CB 3.45Å; P286-Q290 PolarHBondContact O-N 3.45Å; P286-Q328 HydrophobicContact CB-CG 4.32Å; P286-Q328 HydrophobicContact CG-CG 3.99Å
287E92.2Very high86.6Confident36 Ų3658.8 Ų58.817%0.16831%0.314CS..Hα-helixtrans-67.6-42.9177.6-171.3-175.8175.600111.7R281 T284 V285 Q290 Q291R281-E287 WeakPolarHBondContact CD-OE1 3.25Å; R281-E287 IonicContact NE-OE1 3.97Å; R281-E287 IonicContact NH1-OE1 3.68Å; T284-E287 PolarHBondContact O-N 3.21Å; T284-E287 PolarHBondContact OG1-N 2.64Å; V285-E287 VanDerWaalsContact C-N 3.32Å; V285-E287 PolarHBondContact O-N 3.31Å; E287-Q290 PolarHBondContact O-N 3.41Å; E287-Q291 WeakPolarHBondContact O-CG 3.47Å; E287-Q291 PolarHBondContact O-N 2.97Å; E287-Q291 PolarHBondContact OE1-NE2 3.36Å; E287-Q291 VanDerWaalsContact OE1-NE2 3.16Å
288L94.2Very high87.5Confident0 Ų056.9 Ų56.90%030%0.301CS..Hα-helixtrans-61.1-47.1175.4-70.4176000110.8A270 P271 L283 T284 V285 Q290 Q291 M292 F316 M362 A364A270-L288 HydrophobicContact CB-CD2 4.01Å; P271-L288 HydrophobicContact CB-CD2 4.31Å; P271-L288 HydrophobicContact CG-CD2 4.5Å; L283-L288 HydrophobicContact CD2-CD2 4.46Å; T284-L288 WeakPolarHBondContact O-CG 3.43Å; T284-L288 PolarHBondContact O-N 3.11Å; V285-L288 PolarHBondContact O-N 3.37Å; L288-Q290 VanDerWaalsContact C-N 3.35Å; L288-Q290 PolarHBondContact O-N 3.47Å; L288-Q291 PolarHBondContact O-N 2.9Å; L288-M292 WeakPolarHBondContact O-CG 3.38Å; L288-M292 PolarHBondContact O-N 3.1Å; L288-F316 HydrophobicContact CB-CE1 4.23Å; L288-F316 HydrophobicContact CD1-CD1 4.5Å; L288-M362 HydrophobicContact CD1-CB 3.89Å; L288-A364 HydrophobicContact CB-CB 4.09Å; L288-A364 HydrophobicContact CD1-CB 4.46Å
289T94.5Very high88.5Confident1 Ų151.9 Ų51.91%0.00628%0.277CS..Hα-helixtrans-60.2-43.5177.5-60.90000111.8V285 M292 F293 F316 Q328 M329 V332V285-T289 WeakPolarHBondContact O-CB 3.32Å; V285-T289 PolarHBondContact O-N 3.04Å; V285-T289 PolarHBondContact O-OG1 3.37Å; V285-T289 VanDerWaalsContact O-OG1 3.06Å; T289-M292 PolarHBondContact O-N 3.37Å; T289-F293 WeakPolarHBondContact O-CD2 3.5Å; T289-F316 WeakPolarHBondContact OG1-CZ 3.31Å; T289-Q328 HydrophobicContact CG2-CB 4.09Å; T289-M329 HydrophobicContact CG2-SD 3.85Å; T289-V332 HydrophobicContact CG2-CG2 3.47Å; T289-V332 VanDerWaalsContact CG2-CG2 3.47Å
290Q92.3Very high89.6Confident149 Ų14948.2 Ų48.270%0.69624%0.24SC*.Hα-helixtrans-64.1-42.7177.2-173.6179.610.400112.3P286 E287 L288 D294P286-Q290 WeakPolarHBondContact O-CB 3.45Å; P286-Q290 PolarHBondContact O-N 3.45Å; E287-Q290 PolarHBondContact O-N 3.41Å; L288-Q290 VanDerWaalsContact C-N 3.35Å; L288-Q290 PolarHBondContact O-N 3.47Å; Q290-D294 PolarHBondContact O-N 3.09Å
291Q91.9Very high90.4Very high16 Ų1640 Ų408%0.07522%0.216CC..Hα-helixtrans-66.7-37.5178.8-78.1-172.84100112.5A270 E287 L288 F293 D294 N297A270-Q291 HydrophobicContact CB-CB 3.79Å; E287-Q291 WeakPolarHBondContact O-CG 3.47Å; E287-Q291 PolarHBondContact O-N 2.97Å; E287-Q291 PolarHBondContact OE1-NE2 3.36Å; E287-Q291 VanDerWaalsContact OE1-NE2 3.16Å; L288-Q291 PolarHBondContact O-N 2.9Å; Q291-F293 PolarHBondContact O-N 3.3Å; Q291-D294 PolarHBondContact O-N 3.1Å; Q291-D294 VanDerWaalsContact O-N 3.11Å; Q291-N297 WeakPolarHBondContact O-CB 3.49Å; Q291-N297 VanDerWaalsContact O-CG 3.27Å
292M92.8Very high91.3Very high0 Ų034.8 Ų34.80%020%0.197CC..Hα-helixtrans-58.6-35.1179.1-79.5-165.8-63.500113.4A270 L288 T289 M298 A314 F316 M329 A364 F366A270-M292 HydrophobicContact CB-CG 4.2Å; L288-M292 WeakPolarHBondContact O-CG 3.38Å; L288-M292 PolarHBondContact O-N 3.1Å; T289-M292 PolarHBondContact O-N 3.37Å; M292-M298 VanDerWaalsContact O-CE 3.22Å; M292-M298 WeakPolarHBondContact O-CE 3.24Å; M292-A314 HydrophobicContact CE-CB 4.07Å; M292-A314 HydrophobicContact SD-CB 4.09Å; M292-F316 HydrophobicContact CE-CE1 3.85Å; M292-F316 HydrophobicContact CE-CE2 3.73Å; M292-F316 HydrophobicContact CE-CZ 3.21Å; M292-F316 HydrophobicContact SD-CZ 4.46Å; M292-M329 HydrophobicContact CE-SD 4.01Å; M292-A364 HydrophobicContact CE-CB 3.99Å; M292-A364 HydrophobicContact CG-CB 3.85Å; M292-A364 HydrophobicContact SD-CB 3.36Å; M292-A364 WeakPolarHBondContact SD-CB 3.35Å; M292-F366 HydrophobicContact CB-CB 4.16Å; M292-F366 HydrophobicContact CB-CD2 4.28Å; M292-F366 HydrophobicContact CG-CB 4.18Å; M292-F366 HydrophobicContact SD-CB 4.25Å
293F92.2Very high92.2Very high30 Ų3033.2 Ų33.213%0.13218%0.177CC..THydrogen-bonded Turntrans-96.37.2179.3-71.2-86.9000113.3T289 Q291 Y309 V312 M329 V332 F340 F366T289-F293 WeakPolarHBondContact O-CD2 3.5Å; Q291-F293 PolarHBondContact O-N 3.3Å; F293-Y309 HydrophobicContact CD1-CE2 4.01Å; F293-Y309 HydrophobicContact CE1-CE2 4.11Å; F293-V312 HydrophobicContact CZ-CG1 4.23Å; F293-M329 HydrophobicContact CE2-CE 3.77Å; F293-M329 HydrophobicContact CE2-SD 4.03Å; F293-M329 HydrophobicContact CZ-CE 3.86Å; F293-V332 HydrophobicContact CD1-CG1 4.19Å; F293-V332 HydrophobicContact CD2-CG1 3.76Å; F293-V332 HydrophobicContact CD2-CG2 4.35Å; F293-V332 HydrophobicContact CE1-CG1 4.19Å; F293-V332 HydrophobicContact CE2-CB 4.38Å; F293-V332 HydrophobicContact CE2-CG1 3.77Å; F293-V332 HydrophobicContact CE2-CG2 4.49Å; F293-V332 HydrophobicContact CG-CG1 3.97Å; F293-V332 HydrophobicContact CZ-CG1 3.98Å; F293-F340 HydrophobicContact CE1-CE1 4.22Å; F293-F340 AromaticContact CE1-CZ 3.77Å; F293-F340 HydrophobicContact CE1-CZ 3.77Å; F293-F340 HydrophobicContact CZ-CZ 4.26Å; F293-F366 HydrophobicContact CD1-CE2 4.02Å; F293-F366 HydrophobicContact CD1-CZ 4.49Å; F293-F366 AromaticContact CE1-CE2 3.63Å; F293-F366 HydrophobicContact CE1-CE2 3.63Å; F293-F366 HydrophobicContact CE1-CZ 4.28Å; F293-F366 HydrophobicContact CE2-CE2 4.48Å; F293-F366 AromaticContact CZ-CE2 3.9Å; F293-F366 HydrophobicContact CZ-CE2 3.9Å
294D92Very high92.5Very high47 Ų4731.2 Ų31.225%0.25117%0.167SC..  trans-80.8129.5171.7-167.1-10.6000109.4Q290 Q291 K296 N297Q290-D294 PolarHBondContact O-N 3.09Å; Q291-D294 PolarHBondContact O-N 3.1Å; Q291-D294 VanDerWaalsContact O-N 3.11Å; D294-K296 PolarHBondContact O-N 3.36Å; D294-K296 PolarHBondContact OD1-N 2.86Å; D294-N297 PolarHBondContact O-N 3.46Å
295A91.3Very high92.5Very high27 Ų2735.1 Ų35.122%0.22318%0.175CC..G310 helixtrans-54.3-29.3175.900000112.1N297 M298A295-N297 PolarHBondContact O-N 3.27Å; A295-M298 PolarHBondContact O-N 3.09Å
296K90.7Very high92.5Very high137 Ų13740.2 Ų40.260%0.59620%0.198SC*.G310 helixtrans-70.1-13.4178.5-63173.9-173163.80114.7I209 D294I209-K296 WeakPolarHBondContact CG1-O 2.92Å; D294-K296 PolarHBondContact O-N 3.36Å; D294-K296 PolarHBondContact OD1-N 2.86Å
297N91.9Very high92.6Very high6 Ų638.3 Ų38.33%0.03219%0.187CC..G310 helixtrans-102.3-3.1179.5-7957.4000112.6G268 F269 L272 Q291 D294 A295G268-N297 WeakPolarHBondContact CA-O 3.36Å; F269-N297 PolarHBondContact O-ND2 3.21Å; L272-N297 HydrophobicContact CD1-CB 4.17Å; Q291-N297 WeakPolarHBondContact O-CB 3.49Å; Q291-N297 VanDerWaalsContact O-CG 3.27Å; D294-N297 PolarHBondContact O-N 3.46Å; A295-N297 PolarHBondContact O-N 3.27Å
298M93.3Very high92.7Very high3 Ų338.4 Ų38.42%0.01519%0.186CC..BIsolated β-bridgetrans-74.5134.1176.3-61.8-58.6171.100110.1I209 M266 M292 A295 P304 F366I209-M298 WeakPolarHBondContact CD1-O 3.43Å; M266-M298 HydrophobicContact CE-CB 4.25Å; M266-M298 HydrophobicContact CE-CG 4.11Å; M292-M298 VanDerWaalsContact O-CE 3.22Å; M292-M298 WeakPolarHBondContact O-CE 3.24Å; A295-M298 PolarHBondContact O-N 3.09Å; M298-P304 HydrophobicContact CE-CG 3.68Å; M298-P304 HydrophobicContact CG-CG 3.83Å; M298-P304 HydrophobicContact SD-CG 4.35Å; M298-F366 HydrophobicContact CE-CD1 3.68Å; M298-F366 HydrophobicContact CE-CE1 3.45Å; M298-F366 VanDerWaalsContact CE-CE1 3.45Å; M298-F366 HydrophobicContact CE-CG 4.44Å; M298-F366 HydrophobicContact CE-CZ 4.06Å; M298-F366 HydrophobicContact SD-CD1 3.76Å; M298-F366 HydrophobicContact SD-CE1 3.84Å
299M93.3Very high92.9Very high1 Ų138.8 Ų38.81%0.00519%0.187CC..SBendtrans-851.4175.5-56.3-61.4179.500112D202 L206 I209 L227 T231 P267 F269 L272D202-M299 WeakPolarHBondContact CB-O 3.41Å; D202-M299 PolarHBondContact N-O 2.99Å; L206-M299 HydrophobicContact CD2-CB 4.4Å; L206-M299 HydrophobicContact CD2-CG 4.43Å; L206-M299 HydrophobicContact CD2-SD 3.43Å; L206-M299 WeakPolarHBondContact CD2-SD 3.24Å; I209-M299 HydrophobicContact CD1-CE 4.32Å; I209-M299 HydrophobicContact CD1-SD 3.56Å; I209-M299 VanDerWaalsContact CD1-SD 3.56Å; L227-M299 HydrophobicContact CB-CE 4.21Å; L227-M299 HydrophobicContact CB-SD 4.48Å; L227-M299 HydrophobicContact CD2-CE 4.4Å; T231-M299 HydrophobicContact CG2-CG 4.47Å; T231-M299 WeakPolarHBondContact OG1-CE 3.43Å; P267-M299 HydrophobicContact CG-CB 4.07Å; P267-M299 WeakPolarHBondContact O-CB 3.21Å; P267-M299 PolarHBondContact O-N 2.83Å; F269-M299 HydrophobicContact CB-CE 3.81Å; L272-M299 HydrophobicContact CD1-CE 4.43Å; L272-M299 HydrophobicContact CD2-CE 4.48Å
300A93.2Very high93Very high1 Ų138.8 Ų38.81%0.00819%0.187CC..SBendtrans-114.1134.3168.300000108.5M266 C302 I373 L376M266-A300 HydrophobicContact CB-CB 4.43Å; M266-A300 HydrophobicContact CE-CB 4.39Å; M266-A300 HydrophobicContact CG-CB 4.06Å; A300-C302 PolarHBondContact O-N 3.33Å; A300-I373 HydrophobicContact CB-CD1 4.19Å; A300-L376 HydrophobicContact CB-CD1 4.26Å
301A91.7Very high93.1Very high38 Ų3832 Ų3231%0.31416%0.156SC..SBendtrans-80.963-175.100000111.4D202 E204 A205D202-A301 WeakPolarHBondContact OD2-CB 3.21Å; D202-A301 PolarHBondContact OD2-N 3.22Å; D202-A301 VanDerWaalsContact OD2-N 3.14Å; E204-A301 HydrophobicContact CB-CB 4.25Å; E204-A301 HydrophobicContact CG-CB 4.23Å; A205-A301 HydrophobicContact CB-CB 4Å
302C91.6Very high93.3Very high6 Ų631.2 Ų31.24%0.04115%0.152CC..  trans-125.4147.4171.1-40.80000109.1M266 A300 P304 A372 E375M266-C302 HydrophobicContact CE-CB 3.63Å; M266-C302 HydrophobicContact SD-CB 4.21Å; A300-C302 PolarHBondContact O-N 3.33Å; C302-P304 WeakPolarHBondContact O-CD 3.36Å; C302-A372 HydrophobicContact CB-CB 4.33Å; C302-A372 WeakPolarHBondContact CB-O 3.34Å; C302-A372 PolarHBondContact SG-O 3.1Å; C302-E375 VanDerWaalsContact CA-OE2 3.23Å; C302-E375 WeakPolarHBondContact CA-OE2 3.37Å; C302-E375 HydrophobicContact CB-CB 4.17Å; C302-E375 WeakPolarHBondContact CB-OE2 3.39Å
303D92.2Very high93.3Very high43 Ų4331.2 Ų31.223%0.2315%0.153CC..  trans-86.6113.2168.7-167.5-26.7000109.1R305 H306 A372 E375D303-R305 PolarHBondContact O-N 2.84Å; D303-R305 VanDerWaalsContact OD1-CB 3.26Å; D303-R305 WeakPolarHBondContact OD1-CB 3.39Å; D303-R305 VanDerWaalsContact OD1-CG 3.31Å; D303-R305 WeakPolarHBondContact OD1-CG 3.46Å; D303-R305 PolarHBondContact OD1-N 2.96Å; D303-H306 PolarHBondContact O-N 3.39Å; D303-A372 WeakPolarHBondContact O-CB 3.45Å; D303-E375 PolarHBondContact N-OE2 3.05Å
304P92.4Very high93.4Very high5 Ų529.8 Ų29.83%0.03215%0.146CC..G310 helixtrans-60-17179.9-18.629.9000113.9M266 M298 C302 H306 G307 Y309M266-P304 HydrophobicContact CE-CG 4.06Å; M298-P304 HydrophobicContact CE-CG 3.68Å; M298-P304 HydrophobicContact CG-CG 3.83Å; M298-P304 HydrophobicContact SD-CG 4.35Å; C302-P304 WeakPolarHBondContact O-CD 3.36Å; P304-H306 VanDerWaalsContact C-N 3.3Å; P304-G307 PolarHBondContact O-N 3.49Å; P304-Y309 HydrophobicContact CB-CE1 4.2Å; P304-Y309 HydrophobicContact CB-CE2 4.28Å; P304-Y309 WeakPolarHBondContact CB-OH 3.44Å
305R92.6Very high93.5Very high143 Ų14327.8 Ų27.854%0.5414%0.135SC..G310 helixtrans-75.5-17176.7-59.7170-176.8168.64.7113.2D303 Y339D303-R305 PolarHBondContact O-N 2.84Å; D303-R305 VanDerWaalsContact OD1-CB 3.26Å; D303-R305 WeakPolarHBondContact OD1-CB 3.39Å; D303-R305 VanDerWaalsContact OD1-CG 3.31Å; D303-R305 WeakPolarHBondContact OD1-CG 3.46Å; D303-R305 PolarHBondContact OD1-N 2.96Å; R305-Y339 HydrophobicContact CB-CD1 4.46Å; R305-Y339 HydrophobicContact CB-CE1 3.85Å; R305-Y339 HydrophobicContact CG-CE1 4.3Å; R305-Y339 WeakPolarHBondContact O-CE1 3.34Å
306H93.6Very high93.6Very high111 Ų11126.5 Ų26.551%0.51413%0.125SC..G310 helixtrans-82.1-2.9174.9-62.5165.6000112.9D303 P304 E375 Q443D303-H306 PolarHBondContact O-N 3.39Å; P304-H306 VanDerWaalsContact C-N 3.3Å; H306-E375 IonicContact CE1-OE1 2.7Å; H306-E375 IonicContact CG-OE1 3.76Å; H306-E375 IonicContact ND1-OE1 2.83Å; H306-E375 PolarHBondContact ND1-OE1 2.99Å; H306-E375 IonicContact ND1-OE2 3.41Å; H306-Q443 PolarHBondContact O-NE2 2.83Å; H306-Q443 PolarHBondContact O-OE1 3.32Å
307G94.1Very high93.6Very high5 Ų520 Ų205%0.05210%0.097CC..SBendtrans-138.1-161.8174.200000112.6P304 T371 Q443P304-G307 PolarHBondContact O-N 3.49Å; G307-T371 WeakPolarHBondContact CA-OG1 3.17Å; G307-Q443 VanDerWaalsContact CA-OE1 3.27Å
308R95.9Very high93.5Very high38 Ų3819.8 Ų19.814%0.14310%0.095CC..  trans-127.4141.6178.2-57.5-179.280.8-173.51.3108.9L310 A338 Y339 F340 V341 S370 T371 Q443 A445R308-L310 PolarHBondContact O-N 3.23Å; R308-A338 PolarHBondContact NE-O 3.29Å; R308-A338 VanDerWaalsContact NE-O 3.1Å; R308-Y339 CarbonylContact C-O 3.57Å; R308-Y339 VanDerWaalsContact CA-O 3.28Å; R308-Y339 WeakPolarHBondContact CA-O 3.43Å; R308-F340 PolarHBondContact NH2-O 3.43Å; R308-V341 HydrophobicContact CB-CG1 3.89Å; R308-S370 WeakPolarHBondContact O-CA 3.29Å; R308-T371 PolarHBondContact N-OG1 2.97Å; R308-T371 PolarHBondContact O-N 3.07Å; R308-T371 PolarHBondContact O-OG1 3.48Å; R308-Q443 WeakPolarHBondContact CD-O 3.48Å; R308-A445 PolarHBondContact NH1-O 3.13Å
309Y96.7Very high93.3Very high8 Ų830.1 Ų30.13%0.03113%0.134CC..EExtended strand (participates in β ladder)trans-74.6120.7171.6-68.6-67.5000109.6F293 P304 V312 Y339 F340 V341 N347 F366F293-Y309 HydrophobicContact CD1-CE2 4.01Å; F293-Y309 HydrophobicContact CE1-CE2 4.11Å; P304-Y309 HydrophobicContact CB-CE1 4.2Å; P304-Y309 HydrophobicContact CB-CE2 4.28Å; P304-Y309 WeakPolarHBondContact CB-OH 3.44Å; Y309-V312 HydrophobicContact CD1-CG2 3.7Å; Y309-V312 HydrophobicContact CD2-CG2 4.33Å; Y309-V312 HydrophobicContact CE1-CG2 4.34Å; Y309-V312 HydrophobicContact CG-CG2 3.69Å; Y309-Y339 WeakPolarHBondContact CD2-O 3.34Å; Y309-Y339 PolarHBondContact N-O 2.9Å; Y309-F340 HydrophobicContact CD2-CD1 4.16Å; Y309-F340 AromaticContact CD2-CE1 3.84Å; Y309-F340 HydrophobicContact CD2-CE1 3.84Å; Y309-F340 HydrophobicContact CD2-CZ 4.1Å; Y309-F340 HydrophobicContact CG-CD1 4.42Å; Y309-F340 HydrophobicContact CG-CE1 4.29Å; Y309-V341 WeakPolarHBondContact O-CG2 3.46Å; Y309-V341 PolarHBondContact O-N 3.33Å; Y309-N347 PolarHBondContact O-ND2 2.54Å; Y309-F366 HydrophobicContact CD1-CZ 4.25Å; Y309-F366 HydrophobicContact CE1-CE1 4.02Å; Y309-F366 AromaticContact CE1-CZ 3.47Å; Y309-F366 HydrophobicContact CE1-CZ 3.47Å; Y309-F366 VanDerWaalsContact CE1-CZ 3.47Å; Y309-F366 AromaticContact CZ-CZ 3.71Å
310L96.5Very high93.1Very high0 Ų031.6 Ų31.60%014%0.141CC..EExtended strand (participates in β ladder)trans-71.1-53.5166.4-57.5-176.6000108.9P258 L262 R308 V341 W343 I344 N347 N369 T371P258-L310 HydrophobicContact CG-CB 4.21Å; P258-L310 HydrophobicContact CG-CD1 4.25Å; L262-L310 HydrophobicContact CB-CD1 4.47Å; L262-L310 HydrophobicContact CD1-CD1 4.1Å; R308-L310 PolarHBondContact O-N 3.23Å; L310-V341 HydrophobicContact CD2-CG1 3.8Å; L310-V341 HydrophobicContact CD2-CG2 4.46Å; L310-W343 HydrophobicContact CD2-CH2 4Å; L310-W343 HydrophobicContact CD2-CZ2 3.83Å; L310-I344 HydrophobicContact CB-CD1 4.44Å; L310-I344 WeakPolarHBondContact O-CD1 3.24Å; L310-N347 WeakPolarHBondContact O-CB 3.48Å; L310-N347 PolarHBondContact O-ND2 3.25Å; L310-N369 HydrophobicContact CB-CB 4.38Å; L310-N369 PolarHBondContact N-O 3.04Å; L310-T371 HydrophobicContact CD2-CG2 4.03Å; L310-T371 HydrophobicContact CG-CG2 4.25Å
311T96.3Very high93Very high6 Ų634.3 Ų34.34%0.03716%0.16CC..EExtended strand (participates in β ladder)trans-145.1153.6178.763.70000110.6N255 M256 P258 I344 N347 N369N255-T311 WeakPolarHBondContact O-CG2 3.34Å; M256-T311 WeakPolarHBondContact CA-OG1 3.47Å; M256-T311 WeakPolarHBondContact CE-OG1 3.26Å; M256-T311 PolarHBondContact O-OG1 3.24Å; P258-T311 HydrophobicContact CG-CG2 4.48Å; T311-I344 HydrophobicContact CG2-CD1 4.45Å; T311-N347 WeakPolarHBondContact CA-O 3.45Å; T311-N369 PolarHBondContact N-O 3.08Å; T311-N369 PolarHBondContact O-N 3.48Å; T311-N369 WeakPolarHBondContact OG1-CB 3.42Å
312V95.5Very high92.8Very high0 Ų037.7 Ų37.70%017%0.171CC..EExtended strand (participates in β ladder)trans-138.2133.8177.6173.80000109.8F293 Y309 F340 N347 V348 K349 F366 I367F293-V312 HydrophobicContact CZ-CG1 4.23Å; Y309-V312 HydrophobicContact CD1-CG2 3.7Å; Y309-V312 HydrophobicContact CD2-CG2 4.33Å; Y309-V312 HydrophobicContact CE1-CG2 4.34Å; Y309-V312 HydrophobicContact CG-CG2 3.69Å; V312-F340 HydrophobicContact CG2-CE1 4.07Å; V312-N347 PolarHBondContact N-O 2.84Å; V312-V348 HydrophobicContact CB-CB 4.45Å; V312-V348 HydrophobicContact CB-CG1 4.24Å; V312-V348 HydrophobicContact CB-CG2 4.12Å; V312-V348 HydrophobicContact CG1-CG1 4.15Å; V312-V348 CarbonylContact O-C 3.58Å; V312-V348 WeakPolarHBondContact O-CA 3.07Å; V312-K349 PolarHBondContact O-N 3.36Å; V312-F366 HydrophobicContact CB-CE2 4.39Å; V312-F366 HydrophobicContact CG1-CD2 3.97Å; V312-F366 HydrophobicContact CG1-CE2 3.32Å; V312-F366 HydrophobicContact CG1-CZ 4Å; V312-F366 HydrophobicContact CG2-CE2 4.19Å; V312-F366 HydrophobicContact CG2-CZ 4.14Å; V312-I367 CarbonylContact C-O 3.56Å; V312-I367 WeakPolarHBondContact CA-O 3.25Å
313A93.5Very high92.9Very high1 Ų144.1 Ų44.11%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-116129.9163.600000110.5L252 M256 K349 I367L252-A313 HydrophobicContact CD1-CB 4.46Å; M256-A313 HydrophobicContact CE-CB 4.22Å; M256-A313 HydrophobicContact SD-CB 3.57Å; M256-A313 VanDerWaalsContact SD-CB 3.57Å; A313-K349 CarbonylContact C-O 3.6Å; A313-K349 WeakPolarHBondContact CA-O 3.45Å; A313-I367 HydrophobicContact CB-CB 4.25Å; A313-I367 HydrophobicContact CB-CD1 4.43Å; A313-I367 PolarHBondContact N-O 3.1Å; A313-I367 PolarHBondContact O-N 2.99Å
314A93.9Very high93Very high0 Ų045.5 Ų45.50%020%0.203CC..EExtended strand (participates in β ladder)trans-117.9118.7175.200000109.8M292 F316 M329 K349 T350 A351 T365M292-A314 HydrophobicContact CE-CB 4.07Å; M292-A314 HydrophobicContact SD-CB 4.09Å; A314-F316 HydrophobicContact CB-CD2 4.44Å; A314-F316 HydrophobicContact CB-CE2 3.92Å; A314-M329 HydrophobicContact CB-CE 3.83Å; A314-M329 HydrophobicContact CB-SD 4.29Å; A314-K349 PolarHBondContact N-O 3Å; A314-T350 HydrophobicContact CB-CG2 4.49Å; A314-T350 CarbonylContact O-C 3.59Å; A314-T350 WeakPolarHBondContact O-CA 3.37Å; A314-A351 PolarHBondContact O-N 2.91Å; A314-T365 WeakPolarHBondContact CA-O 3.27Å
315I93.1Very high93Very high4 Ų445.2 Ų45.22%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-109.8103.1-178.8-54.2169.5000108.5G234 T237 R317 A351 A364 T365 I367G234-I315 WeakPolarHBondContact O-CD1 3.3Å; T237-I315 HydrophobicContact CG2-CG2 4.16Å; I315-R317 HydrophobicContact CG2-CG 4.47Å; I315-A351 HydrophobicContact CG1-CB 4.46Å; I315-A364 CarbonylContact O-C 3.52Å; I315-A364 VanDerWaalsContact O-CA 3.29Å; I315-A364 WeakPolarHBondContact O-CA 3.44Å; I315-T365 PolarHBondContact N-O 2.85Å; I315-T365 PolarHBondContact O-N 3.37Å; I315-I367 HydrophobicContact CD1-CD1 4.16Å
316F93.5Very high93Very high0 Ų042.6 Ų42.60%020%0.198CC..EExtended strand (participates in β ladder)trans-86.4140.9173.8-69.3-96.6000110.6V285 L288 T289 M292 A314 M320 V325 M329 A351 V352 C353 S363 A364V285-F316 HydrophobicContact CG1-CE1 4.22Å; L288-F316 HydrophobicContact CB-CE1 4.23Å; L288-F316 HydrophobicContact CD1-CD1 4.5Å; T289-F316 WeakPolarHBondContact OG1-CZ 3.31Å; M292-F316 HydrophobicContact CE-CE1 3.85Å; M292-F316 HydrophobicContact CE-CE2 3.73Å; M292-F316 HydrophobicContact CE-CZ 3.21Å; M292-F316 HydrophobicContact SD-CZ 4.46Å; A314-F316 HydrophobicContact CB-CD2 4.44Å; A314-F316 HydrophobicContact CB-CE2 3.92Å; F316-M320 HydrophobicContact CB-CE 3.85Å; F316-M320 HydrophobicContact CB-SD 3.56Å; F316-M320 VanDerWaalsContact CB-SD 3.56Å; F316-M320 HydrophobicContact CD1-CE 4.31Å; F316-M320 HydrophobicContact CD1-SD 3.66Å; F316-M320 HydrophobicContact CG-SD 3.91Å; F316-V325 HydrophobicContact CD1-CG2 4.31Å; F316-V325 HydrophobicContact CD2-CG1 3.59Å; F316-V325 HydrophobicContact CD2-CG2 4.45Å; F316-V325 HydrophobicContact CE2-CG1 3.47Å; F316-V325 VanDerWaalsContact CE2-CG1 3.47Å; F316-V325 HydrophobicContact CG-CG1 4.21Å; F316-V325 HydrophobicContact CG-CG2 4.25Å; F316-V325 HydrophobicContact CZ-CG1 3.99Å; F316-M329 HydrophobicContact CE2-CG 4.26Å; F316-M329 HydrophobicContact CE2-SD 4.18Å; F316-M329 HydrophobicContact CZ-CG 4.43Å; F316-M329 HydrophobicContact CZ-SD 4.15Å; F316-A351 PolarHBondContact N-O 3.19Å; F316-V352 HydrophobicContact CB-CG2 4.31Å; F316-V352 CarbonylContact O-C 3.55Å; F316-V352 WeakPolarHBondContact O-CA 3.41Å; F316-C353 PolarHBondContact O-N 3.11Å; F316-S363 WeakPolarHBondContact CA-O 3.25Å; F316-A364 HydrophobicContact CD1-CB 3.74Å; F316-A364 HydrophobicContact CE1-CB 3.87Å; F316-A364 HydrophobicContact CG-CB 4.25Å; F316-A364 HydrophobicContact CZ-CB 4.49Å
317R92Very high93Very high2 Ų241.6 Ų41.61%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-129.1141.8178.9-55-176.363.7-177.1-2.4110.8E27 S233 T237 I315 M320 C353 I355 M362 S363E27-R317 IonicContact OE1-CZ 3.05Å; E27-R317 IonicContact OE1-NH1 3.21Å; E27-R317 PolarHBondContact OE1-NH1 3.25Å; E27-R317 IonicContact OE1-NH2 3.73Å; E27-R317 PolarHBondContact OE1-NH2 3.01Å; E27-R317 IonicContact OE2-CZ 3.17Å; E27-R317 IonicContact OE2-NH1 2.85Å; E27-R317 PolarHBondContact OE2-NH1 3.48Å; E27-R317 VanDerWaalsContact OE2-NH1 3.17Å; E27-R317 IonicContact OE2-NH2 3.41Å; E27-R317 PolarHBondContact OE2-NH2 3.23Å; S233-R317 PolarHBondContact OG-NH1 2.93Å; S233-R317 VanDerWaalsContact OG-NH1 3.07Å; T237-R317 HydrophobicContact CG2-CG 3.97Å; T237-R317 WeakPolarHBondContact OG1-CD 3.28Å; T237-R317 PolarHBondContact OG1-NE 2.98Å; T237-R317 PolarHBondContact OG1-NH1 3.28Å; I315-R317 HydrophobicContact CG2-CG 4.47Å; R317-M320 WeakPolarHBondContact O-CE 3.46Å; R317-C353 CarbonylContact C-O 3.57Å; R317-C353 VanDerWaalsContact CA-O 3.27Å; R317-C353 WeakPolarHBondContact CA-O 3.37Å; R317-C353 HydrophobicContact CG-CB 4.38Å; R317-I355 PolarHBondContact NE-O 3.03Å; R317-I355 VanDerWaalsContact NE-O 3.07Å; R317-I355 PolarHBondContact NH2-O 2.86Å; R317-M362 CarbonylContact O-C 3.44Å; R317-M362 WeakPolarHBondContact O-CA 3.44Å; R317-S363 PolarHBondContact N-O 3.27Å; R317-S363 PolarHBondContact O-N 2.9Å
318G89.8Confident93.1Very high0 Ų043.5 Ų43.50%020%0.201CC..SBendtrans100.7168.3-176.300000113M320 C353G318-M320 WeakPolarHBondContact O-CE 3.14Å; G318-M320 PolarHBondContact O-N 3.09Å; G318-C353 PolarHBondContact N-O 2.99Å
319R87.2Confident93Very high220 Ų22041.9 Ų41.983%0.8320%0.196SC*.SBendtrans-72.1109.8-176.4-62.9-177.8-176.9-1770.7110.8
320M90Very high92.8Very high32 Ų3246 Ų4616%0.15822%0.218CC..  trans-147164.9177.964.7-170.279.900112.1V285 F316 R317 G318 M322 V325 V352 M362V285-M320 HydrophobicContact CG2-CB 3.9Å; V285-M320 HydrophobicContact CG2-CG 4.39Å; V285-M320 HydrophobicContact CG2-SD 3.93Å; F316-M320 HydrophobicContact CB-CE 3.85Å; F316-M320 HydrophobicContact CB-SD 3.56Å; F316-M320 VanDerWaalsContact CB-SD 3.56Å; F316-M320 HydrophobicContact CD1-CE 4.31Å; F316-M320 HydrophobicContact CD1-SD 3.66Å; F316-M320 HydrophobicContact CG-SD 3.91Å; R317-M320 WeakPolarHBondContact O-CE 3.46Å; G318-M320 WeakPolarHBondContact O-CE 3.14Å; G318-M320 PolarHBondContact O-N 3.09Å; M320-M322 PolarHBondContact O-N 3.24Å; M320-V325 HydrophobicContact CG-CG2 3.95Å; M320-V325 HydrophobicContact SD-CG2 3.6Å; M320-V325 VanDerWaalsContact SD-CG2 3.6Å; M320-V352 HydrophobicContact CG-CG1 4.08Å; M320-M362 HydrophobicContact CB-SD 4.21Å; M320-M362 HydrophobicContact CE-CB 4.15Å; M320-M362 HydrophobicContact CE-CG 4.08Å; M320-M362 HydrophobicContact CE-SD 4.21Å
321S90.1Very high92.7Very high59 Ų5949.2 Ų49.241%0.41324%0.235SC..  trans-78117.5177.9176.70000110.3K323 E324 V325S321-K323 PolarHBondContact O-N 3.45Å; S321-E324 WeakPolarHBondContact O-CB 3.49Å; S321-E324 PolarHBondContact O-N 3.13Å; S321-E324 PolarHBondContact OG-N 3.03Å; S321-V325 PolarHBondContact O-N 2.9Å; S321-V325 VanDerWaalsContact O-N 3.09Å
322M89.4Confident92.6Very high108 Ų10849.9 Ų49.953%0.53224%0.239SC..Hα-helixtrans-57.2-37.5174.9-65.9-149.8-68.100111.9M320 E324 V325 D326 V352M320-M322 PolarHBondContact O-N 3.24Å; M322-E324 VanDerWaalsContact C-N 3.3Å; M322-E324 PolarHBondContact O-N 2.92Å; M322-V325 WeakPolarHBondContact O-CB 3.23Å; M322-V325 PolarHBondContact O-N 2.86Å; M322-D326 PolarHBondContact O-N 3.27Å; M322-V352 HydrophobicContact CG-CB 4.49Å; M322-V352 HydrophobicContact CG-CG2 4.21Å; M322-V352 HydrophobicContact SD-CB 4.48Å; M322-V352 HydrophobicContact SD-CG2 4.45Å
323K92.3Very high92.4Very high142 Ų14251.9 Ų51.962%0.61725%0.248SC*.Hα-helixtrans-58.3-42.2174.8178.5-179.8170.6-179.40112.1S321 E327S321-K323 PolarHBondContact O-N 3.45Å; K323-E327 WeakPolarHBondContact CE-OE1 3.39Å; K323-E327 IonicContact NZ-OE1 2.74Å; K323-E327 WeakPolarHBondContact O-CB 3.3Å; K323-E327 VanDerWaalsContact O-CG 3.28Å; K323-E327 WeakPolarHBondContact O-CG 3.45Å; K323-E327 PolarHBondContact O-N 3.25Å
324E94.2Very high92.4Very high71 Ų7156.9 Ų56.933%0.33228%0.275SS..Hα-helixtrans-68.7-39.1179.2-171.3179.3-176.600111.1V285 S321 M322 E327 Q328V285-E324 HydrophobicContact CB-CG 4.05Å; V285-E324 HydrophobicContact CG1-CG 4.23Å; V285-E324 HydrophobicContact CG2-CG 4.44Å; S321-E324 WeakPolarHBondContact O-CB 3.49Å; S321-E324 PolarHBondContact O-N 3.13Å; S321-E324 PolarHBondContact OG-N 3.03Å; M322-E324 VanDerWaalsContact C-N 3.3Å; M322-E324 PolarHBondContact O-N 2.92Å; E324-E327 PolarHBondContact O-N 2.97Å; E324-Q328 WeakPolarHBondContact O-CB 3.27Å; E324-Q328 VanDerWaalsContact O-CG 3.29Å; E324-Q328 WeakPolarHBondContact O-CG 3.26Å; E324-Q328 PolarHBondContact O-N 2.83Å
325V92.9Very high92.3Very high0 Ų064.9 Ų64.90%031%0.309CS..Hα-helixtrans-59.2-50.7174.5172.90000110.8V285 F316 M320 S321 M322 E327 Q328 M329 T350 V352V285-V325 HydrophobicContact CG1-CB 4.41Å; V285-V325 HydrophobicContact CG1-CG2 3.8Å; V285-V325 HydrophobicContact CG2-CG2 4.38Å; F316-V325 HydrophobicContact CD1-CG2 4.31Å; F316-V325 HydrophobicContact CD2-CG1 3.59Å; F316-V325 HydrophobicContact CD2-CG2 4.45Å; F316-V325 HydrophobicContact CE2-CG1 3.47Å; F316-V325 VanDerWaalsContact CE2-CG1 3.47Å; F316-V325 HydrophobicContact CG-CG1 4.21Å; F316-V325 HydrophobicContact CG-CG2 4.25Å; F316-V325 HydrophobicContact CZ-CG1 3.99Å; M320-V325 HydrophobicContact CG-CG2 3.95Å; M320-V325 HydrophobicContact SD-CG2 3.6Å; M320-V325 VanDerWaalsContact SD-CG2 3.6Å; S321-V325 PolarHBondContact O-N 2.9Å; S321-V325 VanDerWaalsContact O-N 3.09Å; M322-V325 WeakPolarHBondContact O-CB 3.23Å; M322-V325 PolarHBondContact O-N 2.86Å; V325-E327 PolarHBondContact O-N 3.25Å; V325-Q328 PolarHBondContact O-N 2.91Å; V325-M329 HydrophobicContact CG1-CG 4.41Å; V325-M329 WeakPolarHBondContact O-CB 3.47Å; V325-M329 VanDerWaalsContact O-CG 3.28Å; V325-M329 WeakPolarHBondContact O-CG 3.34Å; V325-M329 PolarHBondContact O-N 2.82Å; V325-T350 HydrophobicContact CG1-CG2 4.42Å; V325-V352 HydrophobicContact CG1-CG2 4.43Å; V325-V352 HydrophobicContact CG2-CG2 4.35Å
326D91.5Very high92.3Very high88 Ų8867.5 Ų67.547%0.47132%0.324SS..Hα-helixtrans-63.3-42.6-179.2-67.2-22.7000111.9M322 Q328 M329 L330 T350M322-D326 PolarHBondContact O-N 3.27Å; D326-Q328 PolarHBondContact O-N 2.89Å; D326-M329 PolarHBondContact O-N 3.23Å; D326-L330 VanDerWaalsContact O-CB 3.32Å; D326-L330 WeakPolarHBondContact O-CB 3.39Å; D326-L330 PolarHBondContact O-N 2.84Å; D326-T350 PolarHBondContact OD1-OG1 2.93Å
327E94.9Very high92.1Very high90 Ų9073 Ų7342%0.42135%0.353SS..Hα-helixtrans-61.1-44.1175.4-76.7175.4-179.700111.9K323 E324 V325 N331K323-E327 WeakPolarHBondContact CE-OE1 3.39Å; K323-E327 IonicContact NZ-OE1 2.74Å; K323-E327 WeakPolarHBondContact O-CB 3.3Å; K323-E327 VanDerWaalsContact O-CG 3.28Å; K323-E327 WeakPolarHBondContact O-CG 3.45Å; K323-E327 PolarHBondContact O-N 3.25Å; E324-E327 PolarHBondContact O-N 2.97Å; V325-E327 PolarHBondContact O-N 3.25Å; E327-N331 VanDerWaalsContact O-CB 3.32Å; E327-N331 WeakPolarHBondContact O-CB 3.42Å; E327-N331 PolarHBondContact O-N 3.44Å; E327-N331 PolarHBondContact O-ND2 2.96Å
328Q95.4Very high92.1Very high45 Ų4575.9 Ų75.921%0.2138%0.377CS..Hα-helixtrans-67.7-40179-69-51.5-52.900112.3V285 P286 T289 E324 V325 D326 N331 V332V285-Q328 HydrophobicContact CG1-CB 4.44Å; V285-Q328 HydrophobicContact CG1-CG 4.11Å; P286-Q328 HydrophobicContact CB-CG 4.32Å; P286-Q328 HydrophobicContact CG-CG 3.99Å; T289-Q328 HydrophobicContact CG2-CB 4.09Å; E324-Q328 WeakPolarHBondContact O-CB 3.27Å; E324-Q328 VanDerWaalsContact O-CG 3.29Å; E324-Q328 WeakPolarHBondContact O-CG 3.26Å; E324-Q328 PolarHBondContact O-N 2.83Å; V325-Q328 PolarHBondContact O-N 2.91Å; D326-Q328 PolarHBondContact O-N 2.89Å; Q328-N331 WeakPolarHBondContact O-CB 3.41Å; Q328-N331 PolarHBondContact O-N 2.89Å; Q328-V332 PolarHBondContact O-N 2.84Å
329M94.3Very high92.3Very high4 Ų480.1 Ų80.12%0.0239%0.394CS..Hα-helixtrans-70.4-36.1179.5-68.1-64.3-58.100112.1T289 M292 F293 A314 F316 V325 D326 V332 Q333 V348 T350T289-M329 HydrophobicContact CG2-SD 3.85Å; M292-M329 HydrophobicContact CE-SD 4.01Å; F293-M329 HydrophobicContact CE2-CE 3.77Å; F293-M329 HydrophobicContact CE2-SD 4.03Å; F293-M329 HydrophobicContact CZ-CE 3.86Å; A314-M329 HydrophobicContact CB-CE 3.83Å; A314-M329 HydrophobicContact CB-SD 4.29Å; F316-M329 HydrophobicContact CE2-CG 4.26Å; F316-M329 HydrophobicContact CE2-SD 4.18Å; F316-M329 HydrophobicContact CZ-CG 4.43Å; F316-M329 HydrophobicContact CZ-SD 4.15Å; V325-M329 HydrophobicContact CG1-CG 4.41Å; V325-M329 WeakPolarHBondContact O-CB 3.47Å; V325-M329 VanDerWaalsContact O-CG 3.28Å; V325-M329 WeakPolarHBondContact O-CG 3.34Å; V325-M329 PolarHBondContact O-N 2.82Å; D326-M329 PolarHBondContact O-N 3.23Å; M329-V332 PolarHBondContact O-N 2.92Å; M329-Q333 PolarHBondContact O-N 3.15Å; M329-Q333 PolarHBondContact O-NE2 2.92Å; M329-V348 HydrophobicContact CE-CG1 3.39Å; M329-T350 HydrophobicContact CB-CG2 4.01Å; M329-T350 HydrophobicContact CE-CG2 4.17Å; M329-T350 HydrophobicContact CG-CG2 3.6Å
330L93.1Very high92.7Very high95 Ų9570.2 Ų70.250%0.49736%0.357SS..Hα-helixtrans-65.4-41.7170.4-178.161.8000111.4D326 V332 Q333 N334D326-L330 VanDerWaalsContact O-CB 3.32Å; D326-L330 WeakPolarHBondContact O-CB 3.39Å; D326-L330 PolarHBondContact O-N 2.84Å; L330-V332 VanDerWaalsContact C-N 3.33Å; L330-V332 PolarHBondContact O-N 2.94Å; L330-Q333 PolarHBondContact O-N 2.74Å; L330-N334 WeakPolarHBondContact O-CB 3.32Å; L330-N334 VanDerWaalsContact O-CG 3.31Å; L330-N334 PolarHBondContact O-N 3.41Å; L330-N334 PolarHBondContact O-ND2 2.93Å
331N94.5Very high92.8Very high67 Ų6769 Ų6936%0.35835%0.351SS..Hα-helixtrans-61.7-38.6177.2-76.5-29.1000112.7E327 Q328 K335E327-N331 VanDerWaalsContact O-CB 3.32Å; E327-N331 WeakPolarHBondContact O-CB 3.42Å; E327-N331 PolarHBondContact O-N 3.44Å; E327-N331 PolarHBondContact O-ND2 2.96Å; Q328-N331 WeakPolarHBondContact O-CB 3.41Å; Q328-N331 PolarHBondContact O-N 2.89Å; N331-K335 WeakPolarHBondContact O-CB 3.37Å; N331-K335 VanDerWaalsContact O-CG 3.28Å; N331-K335 WeakPolarHBondContact O-CG 3.3Å; N331-K335 PolarHBondContact O-N 3.25Å; N331-K335 VanDerWaalsContact O-N 3.1Å
332V93.4Very high92.9Very high19 Ų1971.2 Ų71.212%0.11536%0.355CS..Hα-helixtrans-65-48.7175170.70000110.8T289 F293 Q328 M329 L330 N334 K335 N336 F340T289-V332 HydrophobicContact CG2-CG2 3.47Å; T289-V332 VanDerWaalsContact CG2-CG2 3.47Å; F293-V332 HydrophobicContact CD1-CG1 4.19Å; F293-V332 HydrophobicContact CD2-CG1 3.76Å; F293-V332 HydrophobicContact CD2-CG2 4.35Å; F293-V332 HydrophobicContact CE1-CG1 4.19Å; F293-V332 HydrophobicContact CE2-CB 4.38Å; F293-V332 HydrophobicContact CE2-CG1 3.77Å; F293-V332 HydrophobicContact CE2-CG2 4.49Å; F293-V332 HydrophobicContact CG-CG1 3.97Å; F293-V332 HydrophobicContact CZ-CG1 3.98Å; Q328-V332 PolarHBondContact O-N 2.84Å; M329-V332 PolarHBondContact O-N 2.92Å; L330-V332 VanDerWaalsContact C-N 3.33Å; L330-V332 PolarHBondContact O-N 2.94Å; V332-N334 VanDerWaalsContact C-N 3.33Å; V332-N334 PolarHBondContact O-N 3.33Å; V332-K335 PolarHBondContact O-N 3Å; V332-N336 VanDerWaalsContact O-CB 3.27Å; V332-N336 WeakPolarHBondContact O-CB 3.24Å; V332-N336 PolarHBondContact O-N 2.95Å; V332-N336 PolarHBondContact O-ND2 3.28Å; V332-F340 HydrophobicContact CG1-CZ 4.48Å
333Q92Very high93Very high43 Ų4367.8 Ų67.820%0.20134%0.336CS..Hα-helixtrans-57.8-45.7178.6-75.4172.689.200111.6M329 L330 K335 N336 N337 F340 V348M329-Q333 PolarHBondContact O-N 3.15Å; M329-Q333 PolarHBondContact O-NE2 2.92Å; L330-Q333 PolarHBondContact O-N 2.74Å; Q333-K335 PolarHBondContact O-N 3.21Å; Q333-N336 CarbonylContact O-C 3.53Å; Q333-N336 PolarHBondContact O-N 2.88Å; Q333-N337 WeakPolarHBondContact O-CA 3.19Å; Q333-N337 WeakPolarHBondContact O-CB 3.24Å; Q333-N337 PolarHBondContact O-N 2.78Å; Q333-F340 HydrophobicContact CG-CE1 4.26Å; Q333-F340 HydrophobicContact CG-CE2 4.21Å; Q333-F340 HydrophobicContact CG-CZ 4.05Å; Q333-V348 HydrophobicContact CG-CB 4.47Å; Q333-V348 HydrophobicContact CG-CG2 3.74Å
334N92.4Very high92.9Very high106 Ų10662.6 Ų62.657%0.56732%0.315SS*.Hα-helixtrans-65.3-38.9179.9-71.3-21000113.2L330 V332 N336L330-N334 WeakPolarHBondContact O-CB 3.32Å; L330-N334 VanDerWaalsContact O-CG 3.31Å; L330-N334 PolarHBondContact O-N 3.41Å; L330-N334 PolarHBondContact O-ND2 2.93Å; V332-N334 VanDerWaalsContact C-N 3.33Å; V332-N334 PolarHBondContact O-N 3.33Å; N334-N336 VanDerWaalsContact C-N 3.32Å
335K93Very high92.7Very high167 Ų16764 Ų6473%0.72633%0.33SS*.Hα-helixtrans-72.7-27.4179.3-75.3175.9-178.8176.40113.1N331 V332 Q333N331-K335 WeakPolarHBondContact O-CB 3.37Å; N331-K335 VanDerWaalsContact O-CG 3.28Å; N331-K335 WeakPolarHBondContact O-CG 3.3Å; N331-K335 PolarHBondContact O-N 3.25Å; N331-K335 VanDerWaalsContact O-N 3.1Å; V332-K335 PolarHBondContact O-N 3Å; Q333-K335 PolarHBondContact O-N 3.21Å
336N91.8Very high92.4Very high60 Ų6069.9 Ų69.932%0.32136%0.362SS..THydrogen-bonded Turntrans-124.327-168.4-67.6-42.7000111.6V332 Q333 N334 A338 Y339 F340V332-N336 VanDerWaalsContact O-CB 3.27Å; V332-N336 WeakPolarHBondContact O-CB 3.24Å; V332-N336 PolarHBondContact O-N 2.95Å; V332-N336 PolarHBondContact O-ND2 3.28Å; Q333-N336 CarbonylContact O-C 3.53Å; Q333-N336 PolarHBondContact O-N 2.88Å; N334-N336 VanDerWaalsContact C-N 3.32Å; N336-A338 PolarHBondContact O-N 3.35Å; N336-A338 VanDerWaalsContact O-N 3.09Å; N336-Y339 HydrophobicContact CB-CD2 3.82Å; N336-Y339 PolarHBondContact O-N 2.95Å; N336-F340 HydrophobicContact CB-CE2 4.15Å; N336-F340 WeakPolarHBondContact O-CD2 3.13Å
337N90.2Very high92.5Very high115 Ų11566.3 Ų66.362%0.61534%0.342SS*.G310 helixtrans-54.3-34.8-170.568.6-26.1000113.4Q333 Y339 F340Q333-N337 WeakPolarHBondContact O-CA 3.19Å; Q333-N337 WeakPolarHBondContact O-CB 3.24Å; Q333-N337 PolarHBondContact O-N 2.78Å; N337-Y339 PolarHBondContact O-N 3.45Å; N337-F340 PolarHBondContact O-N 2.72Å; N337-F340 VanDerWaalsContact O-O 3.14Å
338A91.9Very high92.3Very high63 Ų6362.8 Ų62.852%0.52133%0.327SS..G310 helixtrans-58.7-29.4176.900000113.6R308 N336 F340R308-A338 PolarHBondContact NE-O 3.29Å; R308-A338 VanDerWaalsContact NE-O 3.1Å; N336-A338 PolarHBondContact O-N 3.35Å; N336-A338 VanDerWaalsContact O-N 3.09Å; A338-F340 VanDerWaalsContact C-N 3.31Å
339Y94Very high92.1Very high88 Ų8863.7 Ų63.735%0.34533%0.33SS..G310 helixtrans-860.9179.6-56-69.8000113.3R305 R308 Y309 N336 N337R305-Y339 HydrophobicContact CB-CD1 4.46Å; R305-Y339 HydrophobicContact CB-CE1 3.85Å; R305-Y339 HydrophobicContact CG-CE1 4.3Å; R305-Y339 WeakPolarHBondContact O-CE1 3.34Å; R308-Y339 CarbonylContact C-O 3.57Å; R308-Y339 VanDerWaalsContact CA-O 3.28Å; R308-Y339 WeakPolarHBondContact CA-O 3.43Å; Y309-Y339 WeakPolarHBondContact CD2-O 3.34Å; Y309-Y339 PolarHBondContact N-O 2.9Å; N336-Y339 HydrophobicContact CB-CD2 3.82Å; N336-Y339 PolarHBondContact O-N 2.95Å; N337-Y339 PolarHBondContact O-N 3.45Å
340F94.5Very high92Very high13 Ų1365.1 Ų65.16%0.05734%0.339CS..BIsolated β-bridgetrans-110.6141.1171.7-62.4-92.6000108.3F293 R308 Y309 V312 V332 Q333 N336 N337 A338 V348F293-F340 HydrophobicContact CE1-CE1 4.22Å; F293-F340 AromaticContact CE1-CZ 3.77Å; F293-F340 HydrophobicContact CE1-CZ 3.77Å; F293-F340 HydrophobicContact CZ-CZ 4.26Å; R308-F340 PolarHBondContact NH2-O 3.43Å; Y309-F340 HydrophobicContact CD2-CD1 4.16Å; Y309-F340 AromaticContact CD2-CE1 3.84Å; Y309-F340 HydrophobicContact CD2-CE1 3.84Å; Y309-F340 HydrophobicContact CD2-CZ 4.1Å; Y309-F340 HydrophobicContact CG-CD1 4.42Å; Y309-F340 HydrophobicContact CG-CE1 4.29Å; V312-F340 HydrophobicContact CG2-CE1 4.07Å; V332-F340 HydrophobicContact CG1-CZ 4.48Å; Q333-F340 HydrophobicContact CG-CE1 4.26Å; Q333-F340 HydrophobicContact CG-CE2 4.21Å; Q333-F340 HydrophobicContact CG-CZ 4.05Å; N336-F340 HydrophobicContact CB-CE2 4.15Å; N336-F340 WeakPolarHBondContact O-CD2 3.13Å; N337-F340 PolarHBondContact O-N 2.72Å; N337-F340 VanDerWaalsContact O-O 3.14Å; A338-F340 VanDerWaalsContact C-N 3.31Å; F340-V348 HydrophobicContact CD1-CG2 3.88Å; F340-V348 HydrophobicContact CE1-CG2 3.53Å; F340-V348 HydrophobicContact CZ-CG2 4.42Å
341V93.7Very high91.8Very high5 Ų561 Ų613%0.0332%0.319CS..  trans-67.9138.6172.6-61.50000110.2R308 Y309 L310 W343 I344R308-V341 HydrophobicContact CB-CG1 3.89Å; Y309-V341 WeakPolarHBondContact O-CG2 3.46Å; Y309-V341 PolarHBondContact O-N 3.33Å; L310-V341 HydrophobicContact CD2-CG1 3.8Å; L310-V341 HydrophobicContact CD2-CG2 4.46Å; V341-W343 HydrophobicContact CB-CD2 4.39Å; V341-W343 HydrophobicContact CB-CZ2 3.97Å; V341-W343 HydrophobicContact CG1-CZ2 3.91Å; V341-W343 HydrophobicContact CG2-CD2 4.4Å; V341-W343 HydrophobicContact CG2-CH2 4.37Å; V341-W343 HydrophobicContact CG2-CZ2 3.98Å; V341-I344 HydrophobicContact CG2-CB 3.82Å; V341-I344 HydrophobicContact CG2-CD1 3.9Å; V341-I344 HydrophobicContact CG2-CG1 3.7Å
342E91.2Very high91.6Very high106 Ų10659.4 Ų59.450%0.49531%0.311SS..SBendtrans-84.9-30.2-174.839.9177.3-145.400112.8I344 V447E342-I344 VanDerWaalsContact C-N 3.31Å; E342-I344 PolarHBondContact O-N 3.22Å; E342-V447 HydrophobicContact CB-CG2 4.09Å; E342-V447 HydrophobicContact CG-CG2 3.68Å; E342-V447 WeakPolarHBondContact OE1-CG2 3.42Å; E342-V447 PolarHBondContact OE1-N 2.91Å
343W91.5Very high91.4Very high37 Ų3758.9 Ų58.914%0.1431%0.308CS..SBendtrans-76.8-11.618051.2-97.4000113.6F259 L310 V341 P345 Y442 V447F259-W343 AromaticContact CE2-CH2 3.54Å; F259-W343 HydrophobicContact CE2-CH2 3.54Å; F259-W343 AromaticContact CE2-CZ3 4Å; F259-W343 HydrophobicContact CE2-CZ3 4Å; F259-W343 AromaticContact CZ-CH2 3.82Å; F259-W343 HydrophobicContact CZ-CH2 3.82Å; F259-W343 AromaticContact CZ-CZ3 3.84Å; F259-W343 HydrophobicContact CZ-CZ3 3.84Å; L310-W343 HydrophobicContact CD2-CH2 4Å; L310-W343 HydrophobicContact CD2-CZ2 3.83Å; V341-W343 HydrophobicContact CB-CD2 4.39Å; V341-W343 HydrophobicContact CB-CZ2 3.97Å; V341-W343 HydrophobicContact CG1-CZ2 3.91Å; V341-W343 HydrophobicContact CG2-CD2 4.4Å; V341-W343 HydrophobicContact CG2-CH2 4.37Å; V341-W343 HydrophobicContact CG2-CZ2 3.98Å; W343-P345 WeakPolarHBondContact O-CD 3.3Å; W343-Y442 HydrophobicContact CH2-CD1 4.32Å; W343-Y442 HydrophobicContact CZ2-CD1 4.19Å; W343-V447 HydrophobicContact CB-CG2 4.15Å
344I91.1Very high91.1Very high32 Ų3261.8 Ų61.816%0.16433%0.325CS..SBendtrans-103.892.2165.3-50.3-177.5000109.6P258 L310 T311 V341 E342 N347P258-I344 HydrophobicContact CB-CD1 3.95Å; P258-I344 HydrophobicContact CG-CD1 4.04Å; L310-I344 HydrophobicContact CB-CD1 4.44Å; L310-I344 WeakPolarHBondContact O-CD1 3.24Å; T311-I344 HydrophobicContact CG2-CD1 4.45Å; V341-I344 HydrophobicContact CG2-CB 3.82Å; V341-I344 HydrophobicContact CG2-CD1 3.9Å; V341-I344 HydrophobicContact CG2-CG1 3.7Å; E342-I344 VanDerWaalsContact C-N 3.31Å; E342-I344 PolarHBondContact O-N 3.22Å; I344-N347 HydrophobicContact CB-CB 4.02Å; I344-N347 HydrophobicContact CG2-CB 3.64Å; I344-N347 WeakPolarHBondContact O-CB 3.41Å
345P89.3Confident90.8Very high100 Ų10057.9 Ų57.965%0.64930%0.304SS*.THydrogen-bonded Turntrans-66140.7178.127.1-34.7000111.5W343 N347W343-P345 WeakPolarHBondContact O-CD 3.3Å; P345-N347 VanDerWaalsContact C-N 3.3Å; P345-N347 PolarHBondContact O-N 3.14Å
346N87.4Confident90.6Very high125 Ų12552.1 Ų52.167%0.66828%0.284SS*.THydrogen-bonded Turntrans55.141.6177.5-52-61.8000113.7V348 K349N346-V348 PolarHBondContact O-N 3.29Å; N346-K349 PolarHBondContact O-NZ 3.44Å
347N92.1Very high90.4Very high12 Ų1250 Ų506%0.06427%0.273CS..  trans-72.7-1.2-177.667.7-14.5000115.3Y309 L310 T311 V312 I344 P345Y309-N347 PolarHBondContact O-ND2 2.54Å; L310-N347 WeakPolarHBondContact O-CB 3.48Å; L310-N347 PolarHBondContact O-ND2 3.25Å; T311-N347 WeakPolarHBondContact CA-O 3.45Å; V312-N347 PolarHBondContact N-O 2.84Å; I344-N347 HydrophobicContact CB-CB 4.02Å; I344-N347 HydrophobicContact CG2-CB 3.64Å; I344-N347 WeakPolarHBondContact O-CB 3.41Å; P345-N347 VanDerWaalsContact C-N 3.3Å; P345-N347 PolarHBondContact O-N 3.14Å
348V92.4Very high90Very high17 Ų1753.4 Ų53.410%0.10328%0.278CS..EExtended strand (participates in β ladder)trans-103121.5175.1-1750000110.3V312 M329 Q333 F340 N346V312-V348 HydrophobicContact CB-CB 4.45Å; V312-V348 HydrophobicContact CB-CG1 4.24Å; V312-V348 HydrophobicContact CB-CG2 4.12Å; V312-V348 HydrophobicContact CG1-CG1 4.15Å; V312-V348 CarbonylContact O-C 3.58Å; V312-V348 WeakPolarHBondContact O-CA 3.07Å; M329-V348 HydrophobicContact CE-CG1 3.39Å; Q333-V348 HydrophobicContact CG-CB 4.47Å; Q333-V348 HydrophobicContact CG-CG2 3.74Å; F340-V348 HydrophobicContact CD1-CG2 3.88Å; F340-V348 HydrophobicContact CE1-CG2 3.53Å; F340-V348 HydrophobicContact CZ-CG2 4.42Å; N346-V348 PolarHBondContact O-N 3.29Å
349K90.7Very high89.6Confident63 Ų6353.7 Ų53.727%0.27429%0.287SS..EExtended strand (participates in β ladder)trans-112.5134.6177.2-60.5-51.5-177-150.40110.9L245 V312 A313 A314 N346L245-K349 HydrophobicContact CD2-CB 3.8Å; L245-K349 HydrophobicContact CD2-CG 4.43Å; V312-K349 PolarHBondContact O-N 3.36Å; A313-K349 CarbonylContact C-O 3.6Å; A313-K349 WeakPolarHBondContact CA-O 3.45Å; A314-K349 PolarHBondContact N-O 3Å; N346-K349 PolarHBondContact O-NZ 3.44Å
350T91.1Very high89.2Confident35 Ų3551.5 Ų51.522%0.21528%0.281CS..EExtended strand (participates in β ladder)trans-116.2137.2-179.952.80000110.3L245 A314 V325 D326 M329L245-T350 WeakPolarHBondContact CD2-O 3.19Å; A314-T350 HydrophobicContact CB-CG2 4.49Å; A314-T350 CarbonylContact O-C 3.59Å; A314-T350 WeakPolarHBondContact O-CA 3.37Å; V325-T350 HydrophobicContact CG1-CG2 4.42Å; D326-T350 PolarHBondContact OD1-OG1 2.93Å; M329-T350 HydrophobicContact CB-CG2 4.01Å; M329-T350 HydrophobicContact CE-CG2 4.17Å; M329-T350 HydrophobicContact CG-CG2 3.6Å
351A89.9Confident88.9Confident8 Ų859.5 Ų59.57%0.06632%0.316CS..EExtended strand (participates in β ladder)trans-129.1143.3172.300000109.2L245 A314 I315 F316L245-A351 HydrophobicContact CB-CB 4.25Å; A314-A351 PolarHBondContact O-N 2.91Å; I315-A351 HydrophobicContact CG1-CB 4.46Å; F316-A351 PolarHBondContact N-O 3.19Å
352V90.1Very high88.8Confident33 Ų3360.7 Ų60.720%0.232%0.322CS..EExtended strand (participates in β ladder)trans-124.2129.3176.8-1750000108.4F316 M320 M322 V325F316-V352 HydrophobicContact CB-CG2 4.31Å; F316-V352 CarbonylContact O-C 3.55Å; F316-V352 WeakPolarHBondContact O-CA 3.41Å; M320-V352 HydrophobicContact CG-CG1 4.08Å; M322-V352 HydrophobicContact CG-CB 4.49Å; M322-V352 HydrophobicContact CG-CG2 4.21Å; M322-V352 HydrophobicContact SD-CB 4.48Å; M322-V352 HydrophobicContact SD-CG2 4.45Å; V325-V352 HydrophobicContact CG1-CG2 4.43Å; V325-V352 HydrophobicContact CG2-CG2 4.35Å
353C89Confident89Confident8 Ų855.7 Ų55.75%0.05430%0.298CS..EExtended strand (participates in β ladder)trans-118.5130.5174.1179.30000109.6T237 F316 R317 G318 I355T237-C353 HydrophobicContact CG2-CB 3.56Å; F316-C353 PolarHBondContact O-N 3.11Å; R317-C353 CarbonylContact C-O 3.57Å; R317-C353 VanDerWaalsContact CA-O 3.27Å; R317-C353 WeakPolarHBondContact CA-O 3.37Å; R317-C353 HydrophobicContact CG-CB 4.38Å; G318-C353 PolarHBondContact N-O 2.99Å; C353-I355 PolarHBondContact O-N 3.49Å
354D85.6Confident89.1Confident104 Ų10453.9 Ų53.956%0.55629%0.291SS*.SBendtrans-70.8-18.8-177.6-72.4-29000113.7P356D354-P356 VanDerWaalsContact O-CD 3.26Å; D354-P356 WeakPolarHBondContact O-CD 3.45Å
355I86.4Confident89.3Confident24 Ų2452.4 Ų52.412%0.12328%0.284CS..SBendtrans-89.5107.9179.9-63.7172000109.9L42 Q43 F241 R317 C353L42-I355 HydrophobicContact CB-CD1 3.63Å; L42-I355 HydrophobicContact CD1-CD1 4.37Å; Q43-I355 HydrophobicContact CG-CD1 4.48Å; F241-I355 HydrophobicContact CD1-CD1 3.33Å; F241-I355 HydrophobicContact CD1-CG1 4.47Å; F241-I355 HydrophobicContact CE1-CB 4.5Å; F241-I355 HydrophobicContact CE1-CD1 3.42Å; F241-I355 VanDerWaalsContact CE1-CD1 3.42Å; F241-I355 HydrophobicContact CE1-CG2 4.26Å; F241-I355 HydrophobicContact CE2-CB 4.45Å; F241-I355 HydrophobicContact CE2-CG2 4.18Å; F241-I355 HydrophobicContact CG-CD1 4.01Å; F241-I355 HydrophobicContact CZ-CB 4.44Å; F241-I355 HydrophobicContact CZ-CD1 4.16Å; F241-I355 HydrophobicContact CZ-CG2 3.92Å; R317-I355 PolarHBondContact NE-O 3.03Å; R317-I355 VanDerWaalsContact NE-O 3.07Å; R317-I355 PolarHBondContact NH2-O 2.86Å; C353-I355 PolarHBondContact O-N 3.49Å
356P88.3Confident89.6Confident47 Ų4747.6 Ų47.631%0.30525%0.253SS..PPolyproline II helixtrans-73158.6174.634.2-35.6000111.1D354 L360D354-P356 VanDerWaalsContact O-CD 3.26Å; D354-P356 WeakPolarHBondContact O-CD 3.45Å; P356-L360 WeakPolarHBondContact CB-O 3.34Å
357P88.3Confident90Very high15 Ų1541.7 Ų41.710%0.09722%0.221CC..PPolyproline II helixtrans-67.5157.4168.929.8-33.6000110.7G359 L360 S363P357-G359 PolarHBondContact O-N 2.98Å; P357-L360 HydrophobicContact CG-CB 4.17Å; P357-L360 HydrophobicContact CG-CD1 4.01Å; P357-L360 PolarHBondContact O-N 3.16Å; P357-S363 VanDerWaalsContact CD-OG 3.23Å; P357-S363 WeakPolarHBondContact CD-OG 3.48Å; P357-S363 VanDerWaalsContact CG-OG 3.3Å; P357-S363 WeakPolarHBondContact CG-OG 3.4Å
358R81.2Confident90.1Very high186 Ų18641.1 Ų41.170%0.70222%0.218SC*.THydrogen-bonded Turntrans-59.7138.8-178.2-173.9177.2-178.8-17510.8112D26 L360D26-R358 VanDerWaalsContact CG-CD 3.42Å; D26-R358 WeakPolarHBondContact OD1-CD 3.33Å; D26-R358 IonicContact OD1-CZ 3.45Å; D26-R358 IonicContact OD1-NE 3.5Å; D26-R358 IonicContact OD1-NH1 2.69Å; D26-R358 PolarHBondContact OD1-NH1 2.95Å; D26-R358 WeakPolarHBondContact OD2-CD 3.5Å; D26-R358 IonicContact OD2-CZ 3.8Å; D26-R358 IonicContact OD2-NE 2.9Å; D26-R358 IonicContact OD2-NH1 3.41Å; D26-R358 PolarHBondContact OD2-NH1 2.86Å; R358-L360 PolarHBondContact O-N 3.17Å
359G83.4Confident90.3Very high70 Ų7040.3 Ų40.372%0.72221%0.213SC*.THydrogen-bonded Turntrans81-5.3176.300000114.5P357P357-G359 PolarHBondContact O-N 2.98Å
360L86.5Confident90.6Very high41 Ų4137.3 Ų37.322%0.21520%0.2CC..  trans-121.4146.8177-60.8173.6000109.9F269 P271 P356 P357 R358F269-L360 HydrophobicContact CE1-CD1 4.24Å; F269-L360 HydrophobicContact CZ-CD1 4.03Å; P271-L360 HydrophobicContact CG-CD1 4.33Å; P271-L360 HydrophobicContact CG-CD2 4.12Å; P356-L360 WeakPolarHBondContact CB-O 3.34Å; P357-L360 HydrophobicContact CG-CB 4.17Å; P357-L360 HydrophobicContact CG-CD1 4.01Å; P357-L360 PolarHBondContact O-N 3.16Å; R358-L360 PolarHBondContact O-N 3.17Å
361K88.5Confident90.9Very high181 Ų18135.6 Ų35.679%0.78719%0.19SC*.SBendtrans-86.1-32.2173.2-69-175.1178.4-179.50112.3
362M91.5Very high91.3Very high31 Ų3135.3 Ų35.315%0.15319%0.187CC..  trans-145.1147.3177.1-61.7-177.2-64.500109.3L283 L288 R317 M320L283-M362 HydrophobicContact CB-CE 4.28Å; L283-M362 WeakPolarHBondContact O-CE 3.42Å; L288-M362 HydrophobicContact CD1-CB 3.89Å; R317-M362 CarbonylContact O-C 3.44Å; R317-M362 WeakPolarHBondContact O-CA 3.44Å; M320-M362 HydrophobicContact CB-SD 4.21Å; M320-M362 HydrophobicContact CE-CB 4.15Å; M320-M362 HydrophobicContact CE-CG 4.08Å; M320-M362 HydrophobicContact CE-SD 4.21Å
363S93.7Very high91.5Very high0 Ų033.7 Ų33.70%018%0.177CC..EExtended strand (participates in β ladder)trans-147.3166.9170.869.10000110A270 F316 R317 P357A270-S363 CarbonylContact O-C 3.54Å; A270-S363 VanDerWaalsContact O-CA 3.29Å; A270-S363 WeakPolarHBondContact O-CA 3.3Å; A270-S363 WeakPolarHBondContact O-CB 3.01Å; F316-S363 WeakPolarHBondContact CA-O 3.25Å; R317-S363 PolarHBondContact N-O 3.27Å; R317-S363 PolarHBondContact O-N 2.9Å; P357-S363 VanDerWaalsContact CD-OG 3.23Å; P357-S363 WeakPolarHBondContact CD-OG 3.48Å; P357-S363 VanDerWaalsContact CG-OG 3.3Å; P357-S363 WeakPolarHBondContact CG-OG 3.4Å
364A94.4Very high91.8Very high0 Ų033.6 Ų33.60%018%0.176CC..EExtended strand (participates in β ladder)trans-140.8135.917200000109.6A270 L288 M292 I315 F316A270-A364 PolarHBondContact N-O 3.22Å; A270-A364 PolarHBondContact O-N 2.8Å; A270-A364 VanDerWaalsContact O-O 3.12Å; L288-A364 HydrophobicContact CB-CB 4.09Å; L288-A364 HydrophobicContact CD1-CB 4.46Å; M292-A364 HydrophobicContact CE-CB 3.99Å; M292-A364 HydrophobicContact CG-CB 3.85Å; M292-A364 HydrophobicContact SD-CB 3.36Å; M292-A364 WeakPolarHBondContact SD-CB 3.35Å; I315-A364 CarbonylContact O-C 3.52Å; I315-A364 VanDerWaalsContact O-CA 3.29Å; I315-A364 WeakPolarHBondContact O-CA 3.44Å; F316-A364 HydrophobicContact CD1-CB 3.74Å; F316-A364 HydrophobicContact CE1-CB 3.87Å; F316-A364 HydrophobicContact CG-CB 4.25Å; F316-A364 HydrophobicContact CZ-CB 4.49Å
365T95.1Very high92.1Very high0 Ų031.5 Ų31.50%016%0.163CC..EExtended strand (participates in β ladder)trans-112.8130.9176.7-48.50000108.2G234 V235 G268 A314 I315G234-T365 WeakPolarHBondContact CA-OG1 3.32Å; V235-T365 HydrophobicContact CG2-CG2 4.11Å; G268-T365 WeakPolarHBondContact O-CG2 3.35Å; A314-T365 WeakPolarHBondContact CA-O 3.27Å; I315-T365 PolarHBondContact N-O 2.85Å; I315-T365 PolarHBondContact O-N 3.37Å
366F95.3Very high92.4Very high0 Ų030.4 Ų30.40%016%0.157CC..EExtended strand (participates in β ladder)trans-105.7136.8-179.5178.5-94.6000109.4P267 G268 M292 F293 M298 Y309 V312 G368P267-F366 CarbonylContact C-O 3.53Å; P267-F366 VanDerWaalsContact CA-O 3.32Å; P267-F366 WeakPolarHBondContact CA-O 3.48Å; G268-F366 PolarHBondContact N-O 3.28Å; G268-F366 PolarHBondContact O-N 3.44Å; M292-F366 HydrophobicContact CB-CB 4.16Å; M292-F366 HydrophobicContact CB-CD2 4.28Å; M292-F366 HydrophobicContact CG-CB 4.18Å; M292-F366 HydrophobicContact SD-CB 4.25Å; F293-F366 HydrophobicContact CD1-CE2 4.02Å; F293-F366 HydrophobicContact CD1-CZ 4.49Å; F293-F366 AromaticContact CE1-CE2 3.63Å; F293-F366 HydrophobicContact CE1-CE2 3.63Å; F293-F366 HydrophobicContact CE1-CZ 4.28Å; F293-F366 HydrophobicContact CE2-CE2 4.48Å; F293-F366 AromaticContact CZ-CE2 3.9Å; F293-F366 HydrophobicContact CZ-CE2 3.9Å; M298-F366 HydrophobicContact CE-CD1 3.68Å; M298-F366 HydrophobicContact CE-CE1 3.45Å; M298-F366 VanDerWaalsContact CE-CE1 3.45Å; M298-F366 HydrophobicContact CE-CG 4.44Å; M298-F366 HydrophobicContact CE-CZ 4.06Å; M298-F366 HydrophobicContact SD-CD1 3.76Å; M298-F366 HydrophobicContact SD-CE1 3.84Å; Y309-F366 HydrophobicContact CD1-CZ 4.25Å; Y309-F366 HydrophobicContact CE1-CE1 4.02Å; Y309-F366 AromaticContact CE1-CZ 3.47Å; Y309-F366 HydrophobicContact CE1-CZ 3.47Å; Y309-F366 VanDerWaalsContact CE1-CZ 3.47Å; Y309-F366 AromaticContact CZ-CZ 3.71Å; V312-F366 HydrophobicContact CB-CE2 4.39Å; V312-F366 HydrophobicContact CG1-CD2 3.97Å; V312-F366 HydrophobicContact CG1-CE2 3.32Å; V312-F366 HydrophobicContact CG1-CZ 4Å; V312-F366 HydrophobicContact CG2-CE2 4.19Å; V312-F366 HydrophobicContact CG2-CZ 4.14Å; F366-G368 VanDerWaalsContact CE1-CA 3.46Å; F366-G368 VanDerWaalsContact CE1-N 3.31Å
367I95.7Very high92.6Very high0 Ų028.2 Ų28.20%014%0.143CC..EExtended strand (participates in β ladder)trans-130.1108.2170.3-51.5169.8000106F199 V235 M256 F265 V312 A313 I315F199-I367 HydrophobicContact CD1-CG2 4.43Å; F199-I367 HydrophobicContact CE1-CD1 3.99Å; F199-I367 HydrophobicContact CE1-CG1 4.12Å; F199-I367 HydrophobicContact CE1-CG2 3.69Å; F199-I367 HydrophobicContact CZ-CD1 4.43Å; V235-I367 HydrophobicContact CB-CD1 4.37Å; V235-I367 HydrophobicContact CG1-CD1 4.08Å; V235-I367 HydrophobicContact CG2-CD1 3.96Å; V235-I367 HydrophobicContact CG2-CG1 4.04Å; M256-I367 HydrophobicContact CE-CB 4.3Å; M256-I367 HydrophobicContact CE-CG2 3.89Å; M256-I367 VanDerWaalsContact CE-O 3.31Å; M256-I367 WeakPolarHBondContact CE-O 3.31Å; F265-I367 HydrophobicContact CB-CG2 3.79Å; F265-I367 HydrophobicContact CD1-CG2 4.48Å; F265-I367 HydrophobicContact CD2-CG2 3.91Å; F265-I367 HydrophobicContact CG-CG2 3.81Å; V312-I367 CarbonylContact C-O 3.56Å; V312-I367 WeakPolarHBondContact CA-O 3.25Å; A313-I367 HydrophobicContact CB-CB 4.25Å; A313-I367 HydrophobicContact CB-CD1 4.43Å; A313-I367 PolarHBondContact N-O 3.1Å; A313-I367 PolarHBondContact O-N 2.99Å; I315-I367 HydrophobicContact CD1-CD1 4.16Å
368G95.6Very high92.8Very high0 Ų031.2 Ų31.20%015%0.154CC..EExtended strand (participates in β ladder)trans-108.7126.6177.600000111.1F265 M266 F366F265-G368 WeakPolarHBondContact CA-O 3.3Å; M266-G368 PolarHBondContact N-O 3.38Å; M266-G368 PolarHBondContact O-N 3.12Å; F366-G368 VanDerWaalsContact CE1-CA 3.46Å; F366-G368 VanDerWaalsContact CE1-N 3.31Å
369N96.9Very high93.2Very high0 Ų024 Ų240%013%0.127CC..EExtended strand (participates in β ladder)trans-90.499.1158.9-167.3-13000107.3M256 L262 F265 L310 T311M256-N369 HydrophobicContact CE-CB 4.46Å; M256-N369 PolarHBondContact O-ND2 2.89Å; L262-N369 PolarHBondContact O-ND2 2.95Å; L262-N369 PolarHBondContact O-OD1 2.95Å; F265-N369 HydrophobicContact CD1-CB 3.91Å; F265-N369 HydrophobicContact CE1-CB 4.04Å; L310-N369 HydrophobicContact CB-CB 4.38Å; L310-N369 PolarHBondContact N-O 3.04Å; T311-N369 PolarHBondContact N-O 3.08Å; T311-N369 PolarHBondContact O-N 3.48Å; T311-N369 WeakPolarHBondContact OG1-CB 3.42Å
370S97Very high93.4Very high0 Ų020.7 Ų20.70%09%0.093CC..EExtended strand (participates in β ladder)trans-122.8138.8-173.8-177.30000110.2R308 A372 I373R308-S370 WeakPolarHBondContact O-CA 3.29Å; S370-A372 PolarHBondContact O-N 3.48Å; S370-A372 VanDerWaalsContact O-N 3.15Å; S370-A372 WeakPolarHBondContact OG-CB 3.47Å; S370-A372 PolarHBondContact OG-N 3.42Å; S370-I373 WeakPolarHBondContact O-CB 3.33Å; S370-I373 WeakPolarHBondContact O-CG2 3.43Å; S370-I373 PolarHBondContact O-N 3.25Å; S370-I373 VanDerWaalsContact O-N 3.09Å
371T97.3Very high93.4Very high0 Ų019.2 Ų19.20%09%0.086CC..G310 helixtrans-63.7-16.8173.154.20000112.8G307 R308 L310 I373 Q374 Y439 Q443G307-T371 WeakPolarHBondContact CA-OG1 3.17Å; R308-T371 PolarHBondContact N-OG1 2.97Å; R308-T371 PolarHBondContact O-N 3.07Å; R308-T371 PolarHBondContact O-OG1 3.48Å; L310-T371 HydrophobicContact CD2-CG2 4.03Å; L310-T371 HydrophobicContact CG-CG2 4.25Å; T371-I373 PolarHBondContact O-N 3Å; T371-Q374 WeakPolarHBondContact O-CB 3.49Å; T371-Q374 WeakPolarHBondContact O-CG 3.07Å; T371-Q374 PolarHBondContact O-N 2.74Å; T371-Q374 PolarHBondContact O-NE2 3.22Å; T371-Y439 HydrophobicContact CG2-CD1 4.19Å; T371-Y439 WeakPolarHBondContact CG2-O 3.43Å; T371-Q443 HydrophobicContact CG2-CB 4.03Å; T371-Q443 WeakPolarHBondContact OG1-CG 3.33Å; T371-Q443 PolarHBondContact OG1-OE1 2.8Å; T371-Q443 VanDerWaalsContact OG1-OE1 3.12Å
372A96.6Very high93.1Very high1 Ų114.6 Ų14.61%0.0087%0.067CC..G310 helixtrans-62.5-18.5171.900000113.6M266 C302 D303 S370 Q374 E375M266-A372 HydrophobicContact SD-CB 4.39Å; C302-A372 HydrophobicContact CB-CB 4.33Å; C302-A372 WeakPolarHBondContact CB-O 3.34Å; C302-A372 PolarHBondContact SG-O 3.1Å; D303-A372 WeakPolarHBondContact O-CB 3.45Å; S370-A372 PolarHBondContact O-N 3.48Å; S370-A372 VanDerWaalsContact O-N 3.15Å; S370-A372 WeakPolarHBondContact OG-CB 3.47Å; S370-A372 PolarHBondContact OG-N 3.42Å; A372-Q374 PolarHBondContact O-N 3.17Å; A372-E375 WeakPolarHBondContact O-CB 3.48Å; A372-E375 WeakPolarHBondContact O-CG 3.33Å; A372-E375 PolarHBondContact O-N 3.1Å
373I95.9Very high92.5Very high0 Ų015.2 Ų15.20%07%0.07CC..G310 helixtrans-59.2-20.4174.9-163.757.4000112.3C200 F264 M266 A300 S370 T371 E375 L376 F377 Y439C200-I373 HydrophobicContact CB-CD1 4.08Å; F264-I373 HydrophobicContact CB-CG1 4.24Å; M266-I373 HydrophobicContact CG-CB 4.31Å; M266-I373 HydrophobicContact CG-CD1 3.75Å; M266-I373 HydrophobicContact CG-CG1 4.44Å; M266-I373 HydrophobicContact SD-CB 4.43Å; A300-I373 HydrophobicContact CB-CD1 4.19Å; S370-I373 WeakPolarHBondContact O-CB 3.33Å; S370-I373 WeakPolarHBondContact O-CG2 3.43Å; S370-I373 PolarHBondContact O-N 3.25Å; S370-I373 VanDerWaalsContact O-N 3.09Å; T371-I373 PolarHBondContact O-N 3Å; I373-E375 PolarHBondContact O-N 3.4Å; I373-E375 VanDerWaalsContact O-N 3.14Å; I373-L376 HydrophobicContact CD1-CB 4.06Å; I373-L376 HydrophobicContact CD1-CD1 4.02Å; I373-L376 WeakPolarHBondContact O-CB 3.48Å; I373-L376 PolarHBondContact O-N 2.79Å; I373-F377 HydrophobicContact CG1-CD2 4.5Å; I373-F377 HydrophobicContact CG1-CE2 3.91Å; I373-F377 HydrophobicContact CG2-CE2 4.15Å; I373-F377 WeakPolarHBondContact O-CD2 3.38Å; I373-F377 PolarHBondContact O-N 2.95Å; I373-Y439 HydrophobicContact CG2-CD1 4Å; I373-Y439 HydrophobicContact CG2-CD2 4.01Å; I373-Y439 HydrophobicContact CG2-CE1 3.52Å; I373-Y439 HydrophobicContact CG2-CE2 3.55Å; I373-Y439 HydrophobicContact CG2-CG 4.22Å
374Q94.1Very high91.5Very high5 Ų515.2 Ų15.22%0.0237%0.07CC..Hα-helixtrans-55.8-27.9172.875.3175.8-65.600113.2T371 A372 L376 F377 K378 V436T371-Q374 WeakPolarHBondContact O-CB 3.49Å; T371-Q374 WeakPolarHBondContact O-CG 3.07Å; T371-Q374 PolarHBondContact O-N 2.74Å; T371-Q374 PolarHBondContact O-NE2 3.22Å; A372-Q374 PolarHBondContact O-N 3.17Å; Q374-L376 VanDerWaalsContact C-N 3.3Å; Q374-L376 PolarHBondContact O-N 3.32Å; Q374-F377 PolarHBondContact O-N 3.06Å; Q374-K378 WeakPolarHBondContact O-CB 3.46Å; Q374-K378 VanDerWaalsContact O-CG 3.27Å; Q374-K378 WeakPolarHBondContact O-CG 2.86Å; Q374-K378 PolarHBondContact O-N 3.34Å; Q374-V436 HydrophobicContact CB-CG1 4.41Å
375E92.9Very high89.9Confident61 Ų6115.7 Ų15.729%0.2857%0.073SC..Hα-helixtrans-61.4-39.2175.7-64.7-171.6149.400111.8C302 D303 H306 A372 I373 R379C302-E375 VanDerWaalsContact CA-OE2 3.23Å; C302-E375 WeakPolarHBondContact CA-OE2 3.37Å; C302-E375 HydrophobicContact CB-CB 4.17Å; C302-E375 WeakPolarHBondContact CB-OE2 3.39Å; D303-E375 PolarHBondContact N-OE2 3.05Å; H306-E375 IonicContact CE1-OE1 2.7Å; H306-E375 IonicContact CG-OE1 3.76Å; H306-E375 IonicContact ND1-OE1 2.83Å; H306-E375 PolarHBondContact ND1-OE1 2.99Å; H306-E375 IonicContact ND1-OE2 3.41Å; A372-E375 WeakPolarHBondContact O-CB 3.48Å; A372-E375 WeakPolarHBondContact O-CG 3.33Å; A372-E375 PolarHBondContact O-N 3.1Å; I373-E375 PolarHBondContact O-N 3.4Å; I373-E375 VanDerWaalsContact O-N 3.14Å; E375-R379 WeakPolarHBondContact O-CB 3.32Å; E375-R379 PolarHBondContact O-N 3.32Å
376L92.4Very high87.9Confident1 Ų117 Ų171%0.0059%0.086CC..Hα-helixtrans-63.9-45.3176.8-179.7149.6000110.8V170 C200 D202 A300 I373 Q374 R379 I380V170-L376 HydrophobicContact CB-CD1 4.35Å; V170-L376 HydrophobicContact CG1-CD1 4.2Å; V170-L376 HydrophobicContact CG1-CD2 4.01Å; V170-L376 HydrophobicContact CG1-CG 4.12Å; V170-L376 HydrophobicContact CG2-CD1 4.08Å; V170-L376 HydrophobicContact CG2-CD2 4.1Å; C200-L376 HydrophobicContact CB-CD1 4.27Å; D202-L376 HydrophobicContact CB-CD1 4.31Å; A300-L376 HydrophobicContact CB-CD1 4.26Å; I373-L376 HydrophobicContact CD1-CB 4.06Å; I373-L376 HydrophobicContact CD1-CD1 4.02Å; I373-L376 WeakPolarHBondContact O-CB 3.48Å; I373-L376 PolarHBondContact O-N 2.79Å; Q374-L376 VanDerWaalsContact C-N 3.3Å; Q374-L376 PolarHBondContact O-N 3.32Å; L376-R379 PolarHBondContact O-N 3.36Å; L376-I380 HydrophobicContact CD2-CD1 3.74Å; L376-I380 WeakPolarHBondContact O-CG1 3.44Å; L376-I380 PolarHBondContact O-N 2.99Å
377F93Very high85.5Confident1 Ų123 Ų230%0.00411%0.112CC..Hα-helixtrans-70.3-40.4179-64.5-60.4000112.5V188 F264 I373 Q374 R379 I380 S381 M432 L435 V436 Y439V188-F377 HydrophobicContact CG1-CD1 4.1Å; V188-F377 HydrophobicContact CG1-CE1 3.74Å; V188-F377 HydrophobicContact CG2-CD1 4.43Å; V188-F377 HydrophobicContact CG2-CE1 3.99Å; F264-F377 HydrophobicContact CB-CE2 4.21Å; F264-F377 HydrophobicContact CB-CZ 4.02Å; F264-F377 HydrophobicContact CD1-CE1 4.48Å; F264-F377 AromaticContact CD1-CZ 3.71Å; F264-F377 HydrophobicContact CD1-CZ 3.71Å; F264-F377 HydrophobicContact CD2-CE2 4.17Å; F264-F377 AromaticContact CD2-CZ 3.8Å; F264-F377 HydrophobicContact CD2-CZ 3.8Å; F264-F377 HydrophobicContact CE1-CZ 4.07Å; F264-F377 HydrophobicContact CE2-CZ 4.17Å; F264-F377 HydrophobicContact CG-CE2 4.1Å; F264-F377 AromaticContact CG-CZ 3.56Å; F264-F377 HydrophobicContact CG-CZ 3.56Å; F264-F377 HydrophobicContact CZ-CZ 4.29Å; I373-F377 HydrophobicContact CG1-CD2 4.5Å; I373-F377 HydrophobicContact CG1-CE2 3.91Å; I373-F377 HydrophobicContact CG2-CE2 4.15Å; I373-F377 WeakPolarHBondContact O-CD2 3.38Å; I373-F377 PolarHBondContact O-N 2.95Å; Q374-F377 PolarHBondContact O-N 3.06Å; F377-R379 VanDerWaalsContact C-N 3.31Å; F377-R379 PolarHBondContact O-N 2.87Å; F377-I380 PolarHBondContact O-N 2.94Å; F377-S381 WeakPolarHBondContact O-CB 3.45Å; F377-S381 PolarHBondContact O-N 3.35Å; F377-M432 HydrophobicContact CB-CG 4.44Å; F377-L435 HydrophobicContact CD1-CD2 4.37Å; F377-L435 HydrophobicContact CD2-CD2 4.09Å; F377-L435 HydrophobicContact CE1-CD2 4.13Å; F377-L435 HydrophobicContact CE2-CD2 3.82Å; F377-L435 HydrophobicContact CG-CD2 4.36Å; F377-L435 HydrophobicContact CZ-CD2 3.85Å; F377-V436 HydrophobicContact CB-CG2 3.56Å; F377-Y439 HydrophobicContact CD2-CE2 4.34Å; F377-Y439 AromaticContact CE2-CE2 3.95Å; F377-Y439 HydrophobicContact CE2-CE2 3.95Å
378K91.6Very high82.9Confident78 Ų7829.5 Ų29.534%0.33914%0.141SC..Hα-helixtrans-57.1-45.3172.3-75.8176.8-174.1175.20110.8Q374 I380 S381 E382 V436Q374-K378 WeakPolarHBondContact O-CB 3.46Å; Q374-K378 VanDerWaalsContact O-CG 3.27Å; Q374-K378 WeakPolarHBondContact O-CG 2.86Å; Q374-K378 PolarHBondContact O-N 3.34Å; K378-I380 PolarHBondContact O-N 2.87Å; K378-S381 PolarHBondContact O-N 3.15Å; K378-E382 WeakPolarHBondContact O-CB 3.31Å; K378-E382 VanDerWaalsContact O-CG 3.27Å; K378-E382 WeakPolarHBondContact O-CG 3.49Å; K378-E382 PolarHBondContact O-N 3.33Å; K378-V436 HydrophobicContact CD-CG1 4.27Å; K378-V436 HydrophobicContact CG-CG1 3.87Å; K378-V436 HydrophobicContact CG-CG2 4.31Å
379R89.3Confident80.3Confident33 Ų3336 Ų3613%0.12517%0.174CC..Hα-helixtrans-60-43.3177.3-173.9-173.567.1-159-15.1112.8P173 D202 E204 E375 L376 F377 Q383P173-R379 HydrophobicContact CG-CG 4.24Å; D202-R379 VanDerWaalsContact CG-NH2 3.26Å; D202-R379 IonicContact OD1-CZ 3.95Å; D202-R379 IonicContact OD1-NH1 2.85Å; D202-R379 IonicContact OD1-NH2 2.73Å; D202-R379 PolarHBondContact OD1-NH2 3.46Å; D202-R379 IonicContact OD2-CZ 3.49Å; D202-R379 IonicContact OD2-NH1 3.85Å; D202-R379 PolarHBondContact OD2-NH1 3.02Å; D202-R379 IonicContact OD2-NH2 3.57Å; D202-R379 PolarHBondContact OD2-NH2 3.14Å; E204-R379 IonicContact OE2-CZ 3.29Å; E204-R379 IonicContact OE2-NE 2.74Å; E204-R379 IonicContact OE2-NH1 3Å; E204-R379 PolarHBondContact OE2-NH1 3.01Å; E375-R379 WeakPolarHBondContact O-CB 3.32Å; E375-R379 PolarHBondContact O-N 3.32Å; L376-R379 PolarHBondContact O-N 3.36Å; F377-R379 VanDerWaalsContact C-N 3.31Å; F377-R379 PolarHBondContact O-N 2.87Å; R379-Q383 WeakPolarHBondContact O-CG 3.49Å; R379-Q383 PolarHBondContact O-N 2.89Å
380I87.2Confident77.7Confident2 Ų238.5 Ų38.51%0.0120%0.2CC..Hα-helixtrans-65.4-46.3176.1-62.7166.8000110.1V170 A184 L376 F377 K378 E382 Q383 F384 M432V170-I380 HydrophobicContact CG1-CD1 3.71Å; V170-I380 HydrophobicContact CG1-CG1 4.31Å; A184-I380 HydrophobicContact CB-CG2 4Å; L376-I380 HydrophobicContact CD2-CD1 3.74Å; L376-I380 WeakPolarHBondContact O-CG1 3.44Å; L376-I380 PolarHBondContact O-N 2.99Å; F377-I380 PolarHBondContact O-N 2.94Å; K378-I380 PolarHBondContact O-N 2.87Å; I380-E382 VanDerWaalsContact C-N 3.35Å; I380-E382 PolarHBondContact O-N 2.7Å; I380-Q383 PolarHBondContact O-N 3.5Å; I380-F384 PolarHBondContact O-N 2.93Å; I380-M432 HydrophobicContact CB-SD 4.33Å; I380-M432 HydrophobicContact CG2-CE 4.49Å; I380-M432 HydrophobicContact CG2-SD 4.05Å
381S86.5Confident74.6Confident9 Ų946.8 Ų46.86%0.06324%0.244CC..Hα-helixtrans-59.9-41.3178.1-168.20000112.6F377 K378 Q383 F384 T385 M432 N433F377-S381 WeakPolarHBondContact O-CB 3.45Å; F377-S381 PolarHBondContact O-N 3.35Å; K378-S381 PolarHBondContact O-N 3.15Å; S381-Q383 VanDerWaalsContact C-N 3.34Å; S381-Q383 PolarHBondContact O-N 3.44Å; S381-F384 PolarHBondContact O-N 2.92Å; S381-T385 WeakPolarHBondContact O-CB 3.29Å; S381-T385 WeakPolarHBondContact O-CG2 3.47Å; S381-T385 PolarHBondContact O-N 3.33Å; S381-T385 PolarHBondContact O-OG1 3.39Å; S381-M432 VanDerWaalsContact CA-CE 3.48Å; S381-M432 VanDerWaalsContact CB-CE 3.49Å; S381-N433 PolarHBondContact OG-OD1 3.17Å; S381-N433 VanDerWaalsContact OG-OD1 3.07Å
382E83.9Confident71.9Confident84 Ų8455 Ų5539%0.39328%0.282SS..Hα-helixtrans-64-38177.4-77.7177.5-178.100112.2K378 I380 G386K378-E382 WeakPolarHBondContact O-CB 3.31Å; K378-E382 VanDerWaalsContact O-CG 3.27Å; K378-E382 WeakPolarHBondContact O-CG 3.49Å; K378-E382 PolarHBondContact O-N 3.33Å; I380-E382 VanDerWaalsContact C-N 3.35Å; I380-E382 PolarHBondContact O-N 2.7Å; E382-G386 WeakPolarHBondContact O-CA 3.38Å; E382-G386 PolarHBondContact O-N 3.4Å
383Q77.6Confident69Low44 Ų4462.8 Ų62.821%0.20632%0.323CS..Hα-helixtrans-70.1-38.6175.5-69.2175.3-5.100112.1P173 P181 R379 I380 S381P173-Q383 VanDerWaalsContact CA-NE2 3.31Å; P173-Q383 VanDerWaalsContact CG-NE2 3.27Å; P181-Q383 HydrophobicContact CB-CB 3.86Å; P181-Q383 HydrophobicContact CG-CB 3.66Å; R379-Q383 WeakPolarHBondContact O-CG 3.49Å; R379-Q383 PolarHBondContact O-N 2.89Å; I380-Q383 PolarHBondContact O-N 3.5Å; S381-Q383 VanDerWaalsContact C-N 3.34Å; S381-Q383 PolarHBondContact O-N 3.44Å
384F73.8Confident66.4Low0 Ų070 Ų700%036%0.361CS..Hα-helixtrans-64.2-52.5177-175.2-80.6000111.8P181 Y182 T185 I380 S381 F406 F425 E429P181-F384 HydrophobicContact CB-CB 4.49Å; Y182-F384 AromaticContact CD1-CD2 3.61Å; Y182-F384 HydrophobicContact CD1-CD2 3.61Å; Y182-F384 AromaticContact CD1-CE2 3.46Å; Y182-F384 HydrophobicContact CD1-CE2 3.46Å; Y182-F384 VanDerWaalsContact CD1-CE2 3.46Å; Y182-F384 HydrophobicContact CD1-CG 4.48Å; Y182-F384 HydrophobicContact CD1-CZ 4.2Å; Y182-F384 HydrophobicContact CE1-CD2 4.2Å; Y182-F384 HydrophobicContact CE1-CE2 4.04Å; Y182-F384 HydrophobicContact CE1-CZ 4.39Å; T185-F384 HydrophobicContact CG2-CD2 3.86Å; T185-F384 HydrophobicContact CG2-CE2 3.71Å; T185-F384 HydrophobicContact CG2-CG 4.5Å; T185-F384 HydrophobicContact CG2-CZ 4.26Å; T185-F384 WeakPolarHBondContact OG1-CD2 3.48Å; I380-F384 PolarHBondContact O-N 2.93Å; S381-F384 PolarHBondContact O-N 2.92Å; F384-F406 HydrophobicContact CD1-CB 4.01Å; F384-F406 HydrophobicContact CD1-CG 4.46Å; F384-F406 HydrophobicContact CE1-CB 3.76Å; F384-F406 AromaticContact CE1-CD1 3.9Å; F384-F406 HydrophobicContact CE1-CD1 3.9Å; F384-F406 HydrophobicContact CE1-CD2 4.32Å; F384-F406 AromaticContact CE1-CG 3.74Å; F384-F406 HydrophobicContact CE1-CG 3.74Å; F384-F406 HydrophobicContact CZ-CB 4.38Å; F384-F406 HydrophobicContact CZ-CD2 4.31Å; F384-F406 HydrophobicContact CZ-CG 4.18Å; F384-F406 WeakPolarHBondContact O-CB 3.42Å; F384-F406 PolarHBondContact O-N 2.96Å; F384-F406 VanDerWaalsContact O-N 3.12Å; F384-F425 AromaticContact CE2-CD1 3.94Å; F384-F425 HydrophobicContact CE2-CD1 3.94Å; F384-F425 HydrophobicContact CZ-CB 4.09Å; F384-F425 AromaticContact CZ-CD1 3.84Å; F384-F425 HydrophobicContact CZ-CD1 3.84Å; F384-F425 HydrophobicContact CZ-CG 4.49Å; F384-E429 HydrophobicContact CD1-CB 4.38Å; F384-E429 HydrophobicContact CD1-CG 4.13Å; F384-E429 HydrophobicContact CE1-CB 3.81Å; F384-E429 HydrophobicContact CE1-CG 3.99Å; F384-E429 WeakPolarHBondContact CE1-OE2 3.49Å; F384-E429 HydrophobicContact CZ-CB 4.3Å
385T59.3Low64Low11 Ų1172.5 Ų72.57%0.06738%0.378CS..Hα-helixtrans-89.6-24-172.263.40000113.8S381 K387 R407 E429S381-T385 WeakPolarHBondContact O-CB 3.29Å; S381-T385 WeakPolarHBondContact O-CG2 3.47Å; S381-T385 PolarHBondContact O-N 3.33Å; S381-T385 PolarHBondContact O-OG1 3.39Å; T385-K387 VanDerWaalsContact C-N 3.28Å; T385-K387 PolarHBondContact O-N 3.39Å; T385-K387 PolarHBondContact OG1-N 2.98Å; T385-R407 VanDerWaalsContact O-CZ 3.31Å; T385-R407 PolarHBondContact O-NE 2.72Å; T385-R407 PolarHBondContact O-NH2 2.88Å; T385-E429 HydrophobicContact CG2-CG 3.87Å; T385-E429 WeakPolarHBondContact CG2-OE1 3.4Å
386G53Low61.4Low27 Ų2778.5 Ų78.528%0.27840%0.404SS..  trans65.422.1-169.900000114.9E382 F388 R407E382-G386 WeakPolarHBondContact O-CA 3.38Å; E382-G386 PolarHBondContact O-N 3.4Å; G386-F388 PolarHBondContact O-N 3.48Å; G386-R407 PolarHBondContact O-NH2 3.2Å
387K45.3Very low58.8Low126 Ų12686 Ų8655%0.54844%0.443SS..  trans-92.491.7-175.9-153.3178.4-177.9-175.10109.7T385 I389T385-K387 VanDerWaalsContact C-N 3.28Å; T385-K387 PolarHBondContact O-N 3.39Å; T385-K387 PolarHBondContact OG1-N 2.98Å; K387-I389 HydrophobicContact CD-CD1 4.31Å; K387-I389 HydrophobicContact CD-CG1 4.37Å; K387-I389 HydrophobicContact CG-CG1 4.12Å; K387-I389 PolarHBondContact O-N 3.04Å
388F40.8Very low56.5Low136 Ų13693.2 Ų93.260%0.59648%0.48SS*.  trans-62.3103.6164.2-107.7-98.1000108.7G386 C395G386-F388 PolarHBondContact O-N 3.48Å; F388-C395 HydrophobicContact CE1-CB 3.64Å; F388-C395 HydrophobicContact CZ-CB 3.52Å
389I41.1Very low54.2Low137 Ų13793.7 Ų93.770%0.70349%0.489SS*.  trans-99.881.8168.5-55.6177.8000106.4K387K387-I389 HydrophobicContact CD-CD1 4.31Å; K387-I389 HydrophobicContact CD-CG1 4.37Å; K387-I389 HydrophobicContact CG-CG1 4.12Å; K387-I389 PolarHBondContact O-N 3.04Å
390G42.5Very low51.7Low52 Ų5297.4 Ų97.454%0.53652%0.517SS..  trans179.6109.6178.600000112E392G390-E392 VanDerWaalsContact C-N 3.32Å; G390-E392 PolarHBondContact O-N 2.92Å
391N32.4Very low49.7Very low174 Ų174104 Ų10493%0.9355%0.552SS**  trans-69.288.2166.5-97.3-23.5000108.4
392E40.8Very low47.5Very low172 Ų172107.3 Ų107.380%0.80457%0.565SS**  trans-160127.6152.8-112.9171.8-153.900112G390 L394G390-E392 VanDerWaalsContact C-N 3.32Å; G390-E392 PolarHBondContact O-N 2.92Å; E392-L394 PolarHBondContact O-N 3.22Å
393L35.3Very low45.6Very low166 Ų166106.3 Ų106.387%0.86957%0.566SS**THydrogen-bonded Turntrans-67.417.1-165.9-155.171.2000114.8
394L41.4Very low44.6Very low151 Ų151105.1 Ų105.179%0.79156%0.564SS**THydrogen-bonded Turntrans-100.8-16.3-165.6-134.478.8000115.4E392 F396E392-L394 PolarHBondContact O-N 3.22Å; L394-F396 PolarHBondContact O-N 2.79Å
395C43.3Very low44.4Very low57 Ų57105.4 Ų105.439%0.38557%0.565SS.*G310 helixtrans-84.6-5.9-173.8-111.70000115.6F388 L397F388-C395 HydrophobicContact CE1-CB 3.64Å; F388-C395 HydrophobicContact CZ-CB 3.52Å; C395-L397 PolarHBondContact O-N 2.95Å; C395-L397 VanDerWaalsContact O-N 3.16Å
396F38.2Very low44.9Very low188 Ų188106.4 Ų106.483%0.82557%0.569SS**G310 helixtrans-67.1-13.5-179.8-97-82.2000114.8L394L394-F396 PolarHBondContact O-N 2.79Å
397L39.4Very low45.9Very low158 Ų158112.6 Ų112.683%0.82758%0.584SS**G310 helixtrans-103.9-7-173.1-99.6124.4000115.6C395C395-L397 PolarHBondContact O-N 2.95Å; C395-L397 VanDerWaalsContact O-N 3.16Å
398I43.6Very low47.5Very low152 Ų152114.6 Ų114.678%0.77959%0.588SS**THydrogen-bonded Turntrans-132.3-11.9-176-48.9-179.7000113.1P400I398-P400 VanDerWaalsContact C-CD 3.44Å
399V43.6Very low49.4Very low89 Ų89113.4 Ų113.454%0.53958%0.582SS.*  trans-122.859.8-177.2-163.50000113.9
400P37.6Very low51.3Low110 Ų110108.1 Ų108.171%0.71456%0.559SS**  trans-97.411.517937.5-33.4000115.8I398I398-P400 VanDerWaalsContact C-CD 3.44Å
401L43.6Very low53.4Low141 Ų141109 Ų10974%0.73855%0.549SS*.SBendtrans-111.6-2.4-170.4-102.6143.1000117.5P403L401-P403 WeakPolarHBondContact O-CD 3.33Å
402F41.5Very low56Low78 Ų78101 Ų10134%0.34251%0.506SS..  trans-117.698.3176.6-85.3-94.9000112.3V178 A404V178-F402 VanDerWaalsContact CA-CE1 3.47Å; V178-F402 HydrophobicContact CB-CE1 3.88Å; V178-F402 HydrophobicContact CB-CZ 4.4Å; V178-F402 HydrophobicContact CG1-CE1 3.91Å; V178-F402 HydrophobicContact CG1-CZ 4.04Å; F402-A404 PolarHBondContact O-N 3.22Å
403P44.3Very low58.4Low63 Ų6398.6 Ų98.641%0.40949%0.494SS..  trans-52.4125160.4-29.839.6000111.3L401 M405 R408L401-P403 WeakPolarHBondContact O-CD 3.33Å; P403-M405 WeakPolarHBondContact O-CA 3.43Å; P403-M405 WeakPolarHBondContact O-CG 3.35Å; P403-M405 PolarHBondContact O-N 3.38Å; P403-R408 VanDerWaalsContact CB-NH1 3.32Å
404A56.3Low61.1Low20 Ų2096 Ų9617%0.16547%0.473CS..  trans-35.3103.8162.400000111.1F402 R408F402-A404 PolarHBondContact O-N 3.22Å; A404-R408 WeakPolarHBondContact O-CB 3.4Å; A404-R408 WeakPolarHBondContact O-CD 3.34Å; A404-R408 VanDerWaalsContact O-CG 3.24Å; A404-R408 WeakPolarHBondContact O-CG 3.25Å; A404-R408 PolarHBondContact O-N 3.16Å
405M68.5Low63.6Low5 Ų588.9 Ų88.93%0.02544%0.435CS..THydrogen-bonded Turntrans-75-56.3-160.6-68.2-171.27900112.1V178 V179 P181 Y182 P403 R407 R408 K409 A410 F411V178-M405 WeakPolarHBondContact O-CE 3.15Å; V179-M405 HydrophobicContact CB-CE 4.38Å; V179-M405 HydrophobicContact CG1-CE 3.97Å; P181-M405 HydrophobicContact CG-SD 4.34Å; Y182-M405 HydrophobicContact CD2-CE 3.63Å; Y182-M405 HydrophobicContact CD2-SD 4.28Å; Y182-M405 HydrophobicContact CE1-CB 3.99Å; Y182-M405 HydrophobicContact CE2-CB 4.1Å; Y182-M405 HydrophobicContact CE2-CE 3.32Å; Y182-M405 HydrophobicContact CE2-SD 4.13Å; Y182-M405 WeakPolarHBondContact OH-CB 3.35Å; Y182-M405 PolarHBondContact OH-O 2.91Å; P403-M405 WeakPolarHBondContact O-CA 3.43Å; P403-M405 WeakPolarHBondContact O-CG 3.35Å; P403-M405 PolarHBondContact O-N 3.38Å; M405-R407 PolarHBondContact O-N 3.24Å; M405-R408 CarbonylContact O-C 3.55Å; M405-R408 PolarHBondContact O-N 3.11Å; M405-R408 VanDerWaalsContact O-N 3.14Å; M405-K409 PolarHBondContact O-N 2.66Å; M405-A410 PolarHBondContact O-N 3.28Å; M405-F411 HydrophobicContact CE-CD2 3.76Å
406F70.6Confident65.9Low33 Ų3388.8 Ų88.815%0.14543%0.433CS..G310 helixtrans-66.5-43.1-173.2-167.7-121.5000111.6Y182 F384 R408 K409 L412 F425Y182-F406 HydrophobicContact CE1-CB 3.96Å; Y182-F406 HydrophobicContact CE1-CD2 4.12Å; Y182-F406 WeakPolarHBondContact OH-CA 3.3Å; Y182-F406 PolarHBondContact OH-N 3.44Å; F384-F406 HydrophobicContact CD1-CB 4.01Å; F384-F406 HydrophobicContact CD1-CG 4.46Å; F384-F406 HydrophobicContact CE1-CB 3.76Å; F384-F406 AromaticContact CE1-CD1 3.9Å; F384-F406 HydrophobicContact CE1-CD1 3.9Å; F384-F406 HydrophobicContact CE1-CD2 4.32Å; F384-F406 AromaticContact CE1-CG 3.74Å; F384-F406 HydrophobicContact CE1-CG 3.74Å; F384-F406 HydrophobicContact CZ-CB 4.38Å; F384-F406 HydrophobicContact CZ-CD2 4.31Å; F384-F406 HydrophobicContact CZ-CG 4.18Å; F384-F406 WeakPolarHBondContact O-CB 3.42Å; F384-F406 PolarHBondContact O-N 2.96Å; F384-F406 VanDerWaalsContact O-N 3.12Å; F406-R408 PolarHBondContact O-N 3.1Å; F406-K409 WeakPolarHBondContact O-CA 3.32Å; F406-K409 PolarHBondContact O-N 3.48Å; F406-L412 HydrophobicContact CD2-CD1 4.47Å; F406-L412 HydrophobicContact CE2-CD1 4.19Å; F406-L412 HydrophobicContact CE2-CD2 4.46Å; F406-F425 HydrophobicContact CD2-CB 4.09Å; F406-F425 HydrophobicContact CD2-CD1 4.32Å; F406-F425 HydrophobicContact CD2-CG 4.32Å; F406-F425 HydrophobicContact CE2-CB 3.36Å; F406-F425 HydrophobicContact CE2-CD1 4.26Å; F406-F425 HydrophobicContact CE2-CD2 4.46Å; F406-F425 AromaticContact CE2-CG 3.8Å; F406-F425 HydrophobicContact CE2-CG 3.8Å; F406-F425 HydrophobicContact CZ-CB 3.66Å
407R73.9Confident68.5Low157 Ų15782.6 Ų82.659%0.59242%0.423SS*.G310 helixtrans-60.8-26.8175.7-89.3-164.7-83174.5-8113.9T385 G386 M405T385-R407 VanDerWaalsContact O-CZ 3.31Å; T385-R407 PolarHBondContact O-NE 2.72Å; T385-R407 PolarHBondContact O-NH2 2.88Å; G386-R407 PolarHBondContact O-NH2 3.2Å; M405-R407 PolarHBondContact O-N 3.24Å
408R78.8Confident71.1Confident167 Ų16777.5 Ų77.563%0.6340%0.395SS*.G310 helixtrans-93.9-0.6174.5-66.7179-174.7-163.75.7112.7P403 A404 M405 F406 A410P403-R408 VanDerWaalsContact CB-NH1 3.32Å; A404-R408 WeakPolarHBondContact O-CB 3.4Å; A404-R408 WeakPolarHBondContact O-CD 3.34Å; A404-R408 VanDerWaalsContact O-CG 3.24Å; A404-R408 WeakPolarHBondContact O-CG 3.25Å; A404-R408 PolarHBondContact O-N 3.16Å; M405-R408 CarbonylContact O-C 3.55Å; M405-R408 PolarHBondContact O-N 3.11Å; M405-R408 VanDerWaalsContact O-N 3.14Å; F406-R408 PolarHBondContact O-N 3.1Å; R408-A410 HydrophobicContact CB-CB 4.45Å; R408-A410 PolarHBondContact O-N 3.41Å; R408-A410 VanDerWaalsContact O-N 3.11Å
409K80.5Confident73.4Confident111 Ų11173.4 Ų73.448%0.48339%0.39SS..THydrogen-bonded Turntrans48.932.5-170.3-58.8-170166.6-152.70112.3M405 F406 F411 L412 E422M405-K409 PolarHBondContact O-N 2.66Å; F406-K409 WeakPolarHBondContact O-CA 3.32Å; F406-K409 PolarHBondContact O-N 3.48Å; K409-F411 PolarHBondContact O-N 3.36Å; K409-L412 HydrophobicContact CB-CB 4.43Å; K409-L412 HydrophobicContact CB-CD2 4Å; K409-L412 HydrophobicContact CD-CD2 4.22Å; K409-L412 HydrophobicContact CG-CD2 4.05Å; K409-E422 IonicContact NZ-OE1 2.89Å; K409-E422 PolarHBondContact NZ-OE1 2.75Å; K409-E422 IonicContact NZ-OE2 3.94Å; K409-E422 PolarHBondContact NZ-OE2 2.75Å
410A80.5Confident75.8Confident26 Ų2669.4 Ų69.422%0.21537%0.365CS..THydrogen-bonded Turntrans-68.4134.2-17800000109.1Y182 M405 R408 L412Y182-A410 WeakPolarHBondContact CE2-O 3.42Å; Y182-A410 PolarHBondContact OH-O 2.97Å; M405-A410 PolarHBondContact O-N 3.28Å; R408-A410 HydrophobicContact CB-CB 4.45Å; R408-A410 PolarHBondContact O-N 3.41Å; R408-A410 VanDerWaalsContact O-N 3.11Å; A410-L412 PolarHBondContact O-N 3.24Å
411F87.2Confident78.4Confident72 Ų7268.7 Ų68.732%0.31636%0.356SS..THydrogen-bonded Turntrans58.34.3-179.6-53.9-76.9000116.4V178 V179 M405 K409 H413 W414V178-F411 HydrophobicContact CB-CE2 4.37Å; V178-F411 HydrophobicContact CG2-CD2 3.99Å; V178-F411 HydrophobicContact CG2-CE2 3.41Å; V178-F411 VanDerWaalsContact CG2-CE2 3.41Å; V178-F411 HydrophobicContact CG2-CZ 3.71Å; V179-F411 HydrophobicContact CG1-CB 3.84Å; V179-F411 HydrophobicContact CG1-CD2 4.13Å; V179-F411 HydrophobicContact CG1-CG 3.92Å; M405-F411 HydrophobicContact CE-CD2 3.76Å; K409-F411 PolarHBondContact O-N 3.36Å; F411-H413 VanDerWaalsContact C-N 3.25Å; F411-H413 PolarHBondContact O-N 3.4Å; F411-W414 HydrophobicContact CB-CD2 4.31Å; F411-W414 HydrophobicContact CB-CE3 4.17Å; F411-W414 HydrophobicContact CD1-CD2 4.07Å; F411-W414 AromaticContact CD1-CE2 3.84Å; F411-W414 AromaticContact CD1-CE3 3.98Å; F411-W414 HydrophobicContact CD1-CE3 3.98Å; F411-W414 AromaticContact CD1-CH2 3.48Å; F411-W414 HydrophobicContact CD1-CH2 3.48Å; F411-W414 VanDerWaalsContact CD1-CH2 3.48Å; F411-W414 AromaticContact CD1-CZ2 3.56Å; F411-W414 HydrophobicContact CD1-CZ2 3.56Å; F411-W414 AromaticContact CD1-CZ3 3.7Å; F411-W414 HydrophobicContact CD1-CZ3 3.7Å; F411-W414 AromaticContact CE1-CH2 3.69Å; F411-W414 HydrophobicContact CE1-CH2 3.69Å; F411-W414 AromaticContact CE1-CZ2 3.87Å; F411-W414 HydrophobicContact CE1-CZ2 3.87Å; F411-W414 HydrophobicContact CE1-CZ3 4.25Å; F411-W414 HydrophobicContact CG-CE3 4.43Å; F411-W414 HydrophobicContact CG-CZ3 4.35Å; F411-W414 WeakPolarHBondContact O-CB 3.41Å; F411-W414 PolarHBondContact O-N 3.37Å
412L88.2Confident80.6Confident5 Ų565.6 Ų65.63%0.02634%0.337CS..THydrogen-bonded Turntrans-59.3-36.5-175.9-168.861.2000112.6F406 K409 A410 W414 Y415 T416 E422 F425F406-L412 HydrophobicContact CD2-CD1 4.47Å; F406-L412 HydrophobicContact CE2-CD1 4.19Å; F406-L412 HydrophobicContact CE2-CD2 4.46Å; K409-L412 HydrophobicContact CB-CB 4.43Å; K409-L412 HydrophobicContact CB-CD2 4Å; K409-L412 HydrophobicContact CD-CD2 4.22Å; K409-L412 HydrophobicContact CG-CD2 4.05Å; A410-L412 PolarHBondContact O-N 3.24Å; L412-W414 PolarHBondContact O-N 3.3Å; L412-W414 VanDerWaalsContact O-N 3.1Å; L412-Y415 PolarHBondContact O-N 2.79Å; L412-T416 HydrophobicContact CG-CG2 4.12Å; L412-T416 PolarHBondContact O-N 3.48Å; L412-E422 HydrophobicContact CD2-CG 3.83Å; L412-E422 VanDerWaalsContact CD2-OE1 3.32Å; L412-E422 WeakPolarHBondContact CD2-OE1 3.41Å; L412-F425 HydrophobicContact CD1-CD1 4.36Å; L412-F425 HydrophobicContact CD1-CD2 3.67Å; L412-F425 HydrophobicContact CD1-CE1 4.15Å; L412-F425 HydrophobicContact CD1-CE2 3.41Å; L412-F425 VanDerWaalsContact CD1-CE2 3.41Å; L412-F425 HydrophobicContact CD1-CG 4.15Å; L412-F425 HydrophobicContact CD1-CZ 3.68Å
413H90.2Very high82.9Confident121 Ų12167.5 Ų67.556%0.5635%0.348SS*.Hα-helixtrans-58.9-20.6176.270.8-73.6000114.7F411 Y415 T416 G417F411-H413 VanDerWaalsContact C-N 3.25Å; F411-H413 PolarHBondContact O-N 3.4Å; H413-Y415 VanDerWaalsContact C-N 3.31Å; H413-T416 WeakPolarHBondContact CA-OG1 3.48Å; H413-G417 PolarHBondContact O-N 2.88Å; H413-G417 VanDerWaalsContact O-N 3.08Å
414W91.7Very high85.2Confident112 Ų11266.9 Ų66.942%0.42434%0.34SS..Hα-helixtrans-70.9-29.9173-66.2-5.2000111.9N100 V179 F411 L412 E418N100-W414 PolarHBondContact ND2-O 3.18Å; V179-W414 HydrophobicContact CG1-CE3 4.16Å; V179-W414 HydrophobicContact CG1-CZ3 4Å; F411-W414 HydrophobicContact CB-CD2 4.31Å; F411-W414 HydrophobicContact CB-CE3 4.17Å; F411-W414 HydrophobicContact CD1-CD2 4.07Å; F411-W414 AromaticContact CD1-CE2 3.84Å; F411-W414 AromaticContact CD1-CE3 3.98Å; F411-W414 HydrophobicContact CD1-CE3 3.98Å; F411-W414 AromaticContact CD1-CH2 3.48Å; F411-W414 HydrophobicContact CD1-CH2 3.48Å; F411-W414 VanDerWaalsContact CD1-CH2 3.48Å; F411-W414 AromaticContact CD1-CZ2 3.56Å; F411-W414 HydrophobicContact CD1-CZ2 3.56Å; F411-W414 AromaticContact CD1-CZ3 3.7Å; F411-W414 HydrophobicContact CD1-CZ3 3.7Å; F411-W414 AromaticContact CE1-CH2 3.69Å; F411-W414 HydrophobicContact CE1-CH2 3.69Å; F411-W414 AromaticContact CE1-CZ2 3.87Å; F411-W414 HydrophobicContact CE1-CZ2 3.87Å; F411-W414 HydrophobicContact CE1-CZ3 4.25Å; F411-W414 HydrophobicContact CG-CE3 4.43Å; F411-W414 HydrophobicContact CG-CZ3 4.35Å; F411-W414 WeakPolarHBondContact O-CB 3.41Å; F411-W414 PolarHBondContact O-N 3.37Å; L412-W414 PolarHBondContact O-N 3.3Å; L412-W414 VanDerWaalsContact O-N 3.1Å; W414-E418 WeakPolarHBondContact O-CG 3.26Å
415Y93.9Very high86.8Confident1 Ų165.9 Ų65.90%0.00433%0.332CS..Hα-helixtrans-90.4-45.7-179.5-62.6-103.3000110.7W101 A102 V179 Y182 N183 L186 L412 H413 G417 E418 M420 F425W101-Y415 HydrophobicContact CB-CE1 3.99Å; A102-Y415 HydrophobicContact CB-CD1 3.96Å; A102-Y415 HydrophobicContact CB-CG 4.46Å; V179-Y415 WeakPolarHBondContact CB-OH 3.32Å; Y182-Y415 WeakPolarHBondContact CB-OH 3.43Å; Y182-Y415 AromaticContact CD2-CE2 3.74Å; Y182-Y415 HydrophobicContact CD2-CE2 3.74Å; Y182-Y415 HydrophobicContact CE2-CE2 4.42Å; Y182-Y415 HydrophobicContact CG-CE2 4.42Å; N183-Y415 WeakPolarHBondContact OD1-CE1 3.33Å; N183-Y415 PolarHBondContact OD1-OH 3.36Å; L186-Y415 HydrophobicContact CD1-CD1 4.22Å; L186-Y415 HydrophobicContact CD1-CE1 4.19Å; L412-Y415 PolarHBondContact O-N 2.79Å; H413-Y415 VanDerWaalsContact C-N 3.31Å; Y415-G417 PolarHBondContact O-N 3.48Å; Y415-E418 PolarHBondContact O-N 2.62Å; Y415-M420 HydrophobicContact CD1-SD 4.25Å; Y415-M420 WeakPolarHBondContact O-CB 3.45Å; Y415-M420 PolarHBondContact O-N 3.21Å; Y415-F425 HydrophobicContact CD1-CE1 4.43Å; Y415-F425 AromaticContact CD1-CZ 3.71Å; Y415-F425 HydrophobicContact CD1-CZ 3.71Å; Y415-F425 AromaticContact CD2-CZ 3.96Å; Y415-F425 HydrophobicContact CD2-CZ 3.96Å; Y415-F425 HydrophobicContact CE1-CZ 4.37Å; Y415-F425 HydrophobicContact CG-CE1 4.43Å; Y415-F425 HydrophobicContact CG-CE2 4.28Å; Y415-F425 AromaticContact CG-CZ 3.49Å; Y415-F425 HydrophobicContact CG-CZ 3.49Å; Y415-F425 VanDerWaalsContact CG-CZ 3.49Å
416T92.5Very high87.9Confident55 Ų5569.1 Ų69.134%0.33735%0.352SS..Hα-helixtrans-66.9-26.2177.967.30000112.4L412 H413 E418 G419 M420 E422L412-T416 HydrophobicContact CG-CG2 4.12Å; L412-T416 PolarHBondContact O-N 3.48Å; H413-T416 WeakPolarHBondContact CA-OG1 3.48Å; T416-E418 PolarHBondContact O-N 3.38Å; T416-G419 PolarHBondContact O-N 3.47Å; T416-M420 VanDerWaalsContact CA-O 3.26Å; T416-M420 WeakPolarHBondContact CA-O 3.48Å; T416-M420 WeakPolarHBondContact CG2-O 3.48Å; T416-E422 HydrophobicContact CG2-CG 4.34Å
417G93.1Very high89Confident59 Ų5972.3 Ų72.361%0.60837%0.367SS*.THydrogen-bonded Turntrans-65.8-20.3172.400000114H413 Y415H413-G417 PolarHBondContact O-N 2.88Å; H413-G417 VanDerWaalsContact O-N 3.08Å; Y415-G417 PolarHBondContact O-N 3.48Å
418E94.2Very high89.9Confident51 Ų5164.8 Ų64.824%0.23834%0.339CS..THydrogen-bonded Turntrans-97.77.3177.9-54.7-65147.400112.2A102 K103 T107 W414 Y415 T416A102-E418 HydrophobicContact CB-CB 3.8Å; A102-E418 HydrophobicContact CB-CG 4.25Å; K103-E418 VanDerWaalsContact CE-CD 3.43Å; K103-E418 WeakPolarHBondContact CE-OE1 3.36Å; K103-E418 HydrophobicContact CG-CG 3.7Å; K103-E418 WeakPolarHBondContact CG-OE2 3.33Å; K103-E418 IonicContact NZ-OE1 2.86Å; T107-E418 HydrophobicContact CG2-CB 4.11Å; T107-E418 VanDerWaalsContact CG2-OE2 3.23Å; T107-E418 WeakPolarHBondContact CG2-OE2 3.43Å; T107-E418 PolarHBondContact OG1-OE2 2.96Å; W414-E418 WeakPolarHBondContact O-CG 3.26Å; Y415-E418 PolarHBondContact O-N 2.62Å; T416-E418 PolarHBondContact O-N 3.38Å
419G91.1Very high90.4Very high65 Ų6559 Ų5967%0.6732%0.319SS*.THydrogen-bonded Turntrans104-0.4174.700000116T416T416-G419 PolarHBondContact O-N 3.47Å
420M93.7Very high91Very high6 Ų656.5 Ų56.53%0.0332%0.316CS..  trans-77.6140.8-179.1-163.4-178.8163.900112.5W101 A102 Y106 L186 Y415 T416 E424 F425W101-M420 HydrophobicContact CE3-SD 4.49Å; W101-M420 HydrophobicContact CZ3-SD 4.44Å; A102-M420 HydrophobicContact CB-CB 4.47Å; A102-M420 HydrophobicContact CB-SD 4.4Å; Y106-M420 HydrophobicContact CE2-CB 4.37Å; Y106-M420 HydrophobicContact CE2-CG 4.19Å; L186-M420 HydrophobicContact CD1-CE 3.69Å; L186-M420 HydrophobicContact CD1-SD 4.02Å; L186-M420 HydrophobicContact CD2-CE 3.32Å; L186-M420 HydrophobicContact CG-CE 4.15Å; Y415-M420 HydrophobicContact CD1-SD 4.25Å; Y415-M420 WeakPolarHBondContact O-CB 3.45Å; Y415-M420 PolarHBondContact O-N 3.21Å; T416-M420 VanDerWaalsContact CA-O 3.26Å; T416-M420 WeakPolarHBondContact CA-O 3.48Å; T416-M420 WeakPolarHBondContact CG2-O 3.48Å; M420-E424 HydrophobicContact CE-CB 3.51Å; M420-E424 HydrophobicContact CG-CB 4.21Å; M420-E424 HydrophobicContact CG-CG 4.46Å; M420-E424 VanDerWaalsContact CG-OE2 3.3Å; M420-E424 WeakPolarHBondContact CG-OE2 3.4Å; M420-F425 HydrophobicContact CE-CD1 4.4Å; M420-F425 HydrophobicContact CE-CD2 3.39Å; M420-F425 HydrophobicContact CE-CE1 4.31Å; M420-F425 HydrophobicContact CE-CE2 3.27Å; M420-F425 HydrophobicContact CE-CG 3.98Å; M420-F425 HydrophobicContact CE-CZ 3.76Å; M420-F425 HydrophobicContact CG-CE2 4.25Å; M420-F425 HydrophobicContact SD-CD2 4.15Å; M420-F425 HydrophobicContact SD-CE2 3.41Å; M420-F425 WeakPolarHBondContact SD-CE2 3.3Å; M420-F425 HydrophobicContact SD-CZ 3.77Å
421D91.8Very high91.7Very high95 Ų9556 Ų5651%0.50831%0.31SS..  trans-87.3151.9173.9-162.5-80.7000112.2M423 E424D421-M423 PolarHBondContact O-N 3.04Å; D421-M423 VanDerWaalsContact OD1-CB 3.23Å; D421-M423 WeakPolarHBondContact OD1-CB 3.34Å; D421-M423 PolarHBondContact OD1-N 3.47Å; D421-E424 HydrophobicContact CB-CG 4.44Å; D421-E424 PolarHBondContact N-OE1 2.91Å; D421-E424 PolarHBondContact O-N 3.5Å
422E89.3Confident91.9Very high75 Ų7552.6 Ų52.635%0.3530%0.295SS..Hα-helixtrans-62.6-25.9173.5-61.4-164.7165.700112.2K409 L412 T416 E424 F425 T426K409-E422 IonicContact NZ-OE1 2.89Å; K409-E422 PolarHBondContact NZ-OE1 2.75Å; K409-E422 IonicContact NZ-OE2 3.94Å; K409-E422 PolarHBondContact NZ-OE2 2.75Å; L412-E422 HydrophobicContact CD2-CG 3.83Å; L412-E422 VanDerWaalsContact CD2-OE1 3.32Å; L412-E422 WeakPolarHBondContact CD2-OE1 3.41Å; T416-E422 HydrophobicContact CG2-CG 4.34Å; E422-E424 VanDerWaalsContact C-N 3.31Å; E422-E424 PolarHBondContact O-N 3.32Å; E422-F425 WeakPolarHBondContact O-CB 3.41Å; E422-F425 PolarHBondContact O-N 3.47Å; E422-T426 PolarHBondContact O-N 3.08Å; E422-T426 PolarHBondContact O-OG1 3.28Å
423M91.6Very high92.2Very high118 Ų11855.1 Ų55.158%0.58131%0.308SS*.Hα-helixtrans-62.8-36.8176.9-171.2167.5-69.500111.8D421 F425 T426 E427D421-M423 PolarHBondContact O-N 3.04Å; D421-M423 VanDerWaalsContact OD1-CB 3.23Å; D421-M423 WeakPolarHBondContact OD1-CB 3.34Å; D421-M423 PolarHBondContact OD1-N 3.47Å; M423-F425 VanDerWaalsContact C-N 3.28Å; M423-F425 PolarHBondContact O-N 3.01Å; M423-T426 CarbonylContact O-C 3.53Å; M423-T426 WeakPolarHBondContact O-CA 3.23Å; M423-T426 WeakPolarHBondContact O-CB 3.4Å; M423-T426 PolarHBondContact O-N 2.88Å; M423-E427 HydrophobicContact CG-CG 4.41Å; M423-E427 WeakPolarHBondContact O-CG 3.26Å; M423-E427 PolarHBondContact O-N 3.41Å
424E92.5Very high92.4Very high50 Ų5053 Ų5323%0.23430%0.301CS..Hα-helixtrans-63-34.6179.1-65.5177.4-128.600112.3Y106 M420 D421 E422 T426 E427 A428Y106-E424 PolarHBondContact OH-OE2 3.25Å; M420-E424 HydrophobicContact CE-CB 3.51Å; M420-E424 HydrophobicContact CG-CB 4.21Å; M420-E424 HydrophobicContact CG-CG 4.46Å; M420-E424 VanDerWaalsContact CG-OE2 3.3Å; M420-E424 WeakPolarHBondContact CG-OE2 3.4Å; D421-E424 HydrophobicContact CB-CG 4.44Å; D421-E424 PolarHBondContact N-OE1 2.91Å; D421-E424 PolarHBondContact O-N 3.5Å; E422-E424 VanDerWaalsContact C-N 3.31Å; E422-E424 PolarHBondContact O-N 3.32Å; E424-T426 VanDerWaalsContact C-N 3.31Å; E424-T426 PolarHBondContact O-N 2.93Å; E424-E427 PolarHBondContact O-N 2.81Å; E424-A428 WeakPolarHBondContact O-CB 3.43Å; E424-A428 PolarHBondContact O-N 3.3Å
425F90.2Very high92.6Very high0 Ų047.6 Ų47.60%028%0.28CS..Hα-helixtrans-63.5-40.2171.8-77.2-90.6000111.9Y182 L186 F384 F406 L412 Y415 M420 E422 M423 E429Y182-F425 AromaticContact CD1-CD1 3.98Å; Y182-F425 HydrophobicContact CD1-CD1 3.98Å; Y182-F425 AromaticContact CD1-CE1 3.73Å; Y182-F425 HydrophobicContact CD1-CE1 3.73Å; Y182-F425 HydrophobicContact CE1-CD1 4.27Å; Y182-F425 HydrophobicContact CE1-CE1 4.2Å; Y182-F425 AromaticContact CG-CE1 3.91Å; Y182-F425 HydrophobicContact CG-CE1 3.91Å; L186-F425 HydrophobicContact CD1-CE1 3.96Å; L186-F425 HydrophobicContact CD1-CZ 4.17Å; F384-F425 AromaticContact CE2-CD1 3.94Å; F384-F425 HydrophobicContact CE2-CD1 3.94Å; F384-F425 HydrophobicContact CZ-CB 4.09Å; F384-F425 AromaticContact CZ-CD1 3.84Å; F384-F425 HydrophobicContact CZ-CD1 3.84Å; F384-F425 HydrophobicContact CZ-CG 4.49Å; F406-F425 HydrophobicContact CD2-CB 4.09Å; F406-F425 HydrophobicContact CD2-CD1 4.32Å; F406-F425 HydrophobicContact CD2-CG 4.32Å; F406-F425 HydrophobicContact CE2-CB 3.36Å; F406-F425 HydrophobicContact CE2-CD1 4.26Å; F406-F425 HydrophobicContact CE2-CD2 4.46Å; F406-F425 AromaticContact CE2-CG 3.8Å; F406-F425 HydrophobicContact CE2-CG 3.8Å; F406-F425 HydrophobicContact CZ-CB 3.66Å; L412-F425 HydrophobicContact CD1-CD1 4.36Å; L412-F425 HydrophobicContact CD1-CD2 3.67Å; L412-F425 HydrophobicContact CD1-CE1 4.15Å; L412-F425 HydrophobicContact CD1-CE2 3.41Å; L412-F425 VanDerWaalsContact CD1-CE2 3.41Å; L412-F425 HydrophobicContact CD1-CG 4.15Å; L412-F425 HydrophobicContact CD1-CZ 3.68Å; Y415-F425 HydrophobicContact CD1-CE1 4.43Å; Y415-F425 AromaticContact CD1-CZ 3.71Å; Y415-F425 HydrophobicContact CD1-CZ 3.71Å; Y415-F425 AromaticContact CD2-CZ 3.96Å; Y415-F425 HydrophobicContact CD2-CZ 3.96Å; Y415-F425 HydrophobicContact CE1-CZ 4.37Å; Y415-F425 HydrophobicContact CG-CE1 4.43Å; Y415-F425 HydrophobicContact CG-CE2 4.28Å; Y415-F425 AromaticContact CG-CZ 3.49Å; Y415-F425 HydrophobicContact CG-CZ 3.49Å; Y415-F425 VanDerWaalsContact CG-CZ 3.49Å; M420-F425 HydrophobicContact CE-CD1 4.4Å; M420-F425 HydrophobicContact CE-CD2 3.39Å; M420-F425 HydrophobicContact CE-CE1 4.31Å; M420-F425 HydrophobicContact CE-CE2 3.27Å; M420-F425 HydrophobicContact CE-CG 3.98Å; M420-F425 HydrophobicContact CE-CZ 3.76Å; M420-F425 HydrophobicContact CG-CE2 4.25Å; M420-F425 HydrophobicContact SD-CD2 4.15Å; M420-F425 HydrophobicContact SD-CE2 3.41Å; M420-F425 WeakPolarHBondContact SD-CE2 3.3Å; M420-F425 HydrophobicContact SD-CZ 3.77Å; E422-F425 WeakPolarHBondContact O-CB 3.41Å; E422-F425 PolarHBondContact O-N 3.47Å; M423-F425 VanDerWaalsContact C-N 3.28Å; M423-F425 PolarHBondContact O-N 3.01Å; F425-E429 WeakPolarHBondContact O-CB 3.29Å; F425-E429 PolarHBondContact O-N 2.98Å
426T90.4Very high92.6Very high72 Ų7248.2 Ų48.244%0.44228%0.284SS..Hα-helixtrans-69.6-40.1-179.7-53.10000110.7E422 M423 E424 E429 S430E422-T426 PolarHBondContact O-N 3.08Å; E422-T426 PolarHBondContact O-OG1 3.28Å; M423-T426 CarbonylContact O-C 3.53Å; M423-T426 WeakPolarHBondContact O-CA 3.23Å; M423-T426 WeakPolarHBondContact O-CB 3.4Å; M423-T426 PolarHBondContact O-N 2.88Å; E424-T426 VanDerWaalsContact C-N 3.31Å; E424-T426 PolarHBondContact O-N 2.93Å; T426-E429 PolarHBondContact O-N 3.34Å; T426-S430 WeakPolarHBondContact O-CB 3.48Å; T426-S430 PolarHBondContact O-N 3.4Å
427E93.2Very high92.8Very high100 Ų10048.9 Ų48.947%0.46729%0.291SS..Hα-helixtrans-63.5-46.2175.1-70.9175.3-176.800111.6M423 E424 E429 S430 N431M423-E427 HydrophobicContact CG-CG 4.41Å; M423-E427 WeakPolarHBondContact O-CG 3.26Å; M423-E427 PolarHBondContact O-N 3.41Å; E424-E427 PolarHBondContact O-N 2.81Å; E427-E429 PolarHBondContact O-N 3.19Å; E427-S430 PolarHBondContact O-N 3.32Å; E427-N431 WeakPolarHBondContact O-CB 3.4Å; E427-N431 PolarHBondContact O-N 3.1Å
428A93.4Very high92.9Very high0 Ų048.2 Ų48.20%027%0.272CS..Hα-helixtrans-64.3-40.1177.400000112.4T185 L186 H189 E424 M432T185-A428 HydrophobicContact CG2-CB 3.98Å; L186-A428 HydrophobicContact CD2-CB 3.76Å; H189-A428 HydrophobicContact CB-CB 3.81Å; E424-A428 WeakPolarHBondContact O-CB 3.43Å; E424-A428 PolarHBondContact O-N 3.3Å; A428-M432 WeakPolarHBondContact O-CB 3.23Å; A428-M432 PolarHBondContact O-N 3.2Å; A428-M432 VanDerWaalsContact O-N 3.08Å
429E90Very high93Very high44 Ų4445.8 Ų45.821%0.20626%0.261CS..Hα-helixtrans-61.5-47172.9-173.4-168158.300111.3F384 T385 F425 T426 E427 M432 N433F384-E429 HydrophobicContact CD1-CB 4.38Å; F384-E429 HydrophobicContact CD1-CG 4.13Å; F384-E429 HydrophobicContact CE1-CB 3.81Å; F384-E429 HydrophobicContact CE1-CG 3.99Å; F384-E429 WeakPolarHBondContact CE1-OE2 3.49Å; F384-E429 HydrophobicContact CZ-CB 4.3Å; T385-E429 HydrophobicContact CG2-CG 3.87Å; T385-E429 WeakPolarHBondContact CG2-OE1 3.4Å; F425-E429 WeakPolarHBondContact O-CB 3.29Å; F425-E429 PolarHBondContact O-N 2.98Å; T426-E429 PolarHBondContact O-N 3.34Å; E427-E429 PolarHBondContact O-N 3.19Å; E429-M432 PolarHBondContact O-N 3.04Å; E429-N433 VanDerWaalsContact O-CG 3.3Å; E429-N433 PolarHBondContact O-N 2.99Å; E429-N433 PolarHBondContact O-ND2 2.96Å; E429-N433 VanDerWaalsContact O-ND2 3.16Å
430S92.9Very high93.1Very high59 Ų5945 Ų4541%0.41324%0.24SC..Hα-helixtrans-59.2-51.5178.5-166.50000110.9T426 E427 M432 N433 D434T426-S430 WeakPolarHBondContact O-CB 3.48Å; T426-S430 PolarHBondContact O-N 3.4Å; E427-S430 PolarHBondContact O-N 3.32Å; S430-M432 VanDerWaalsContact C-N 3.28Å; S430-M432 PolarHBondContact O-N 3.45Å; S430-N433 CarbonylContact O-C 3.55Å; S430-N433 WeakPolarHBondContact O-CB 3.45Å; S430-N433 PolarHBondContact O-N 3.37Å; S430-D434 VanDerWaalsContact O-CG 3.24Å; S430-D434 PolarHBondContact O-N 3.49Å
431N94Very high93.2Very high17 Ų1750.5 Ų50.59%0.09127%0.265CS..Hα-helixtrans-61.9-36.1-178.2-169.645.3000112.4H189 R261 E427 D434 L435H189-N431 PolarHBondContact ND1-ND2 2.97Å; H189-N431 VanDerWaalsContact ND1-ND2 3.17Å; R261-N431 PolarHBondContact NH1-OD1 2.96Å; R261-N431 PolarHBondContact NH2-OD1 3.34Å; E427-N431 WeakPolarHBondContact O-CB 3.4Å; E427-N431 PolarHBondContact O-N 3.1Å; N431-D434 PolarHBondContact O-N 2.86Å; N431-L435 WeakPolarHBondContact O-CB 3.47Å; N431-L435 PolarHBondContact O-N 3.31Å
432M92.9Very high93.3Very high0 Ų048.4 Ų48.40%025%0.251CS..Hα-helixtrans-67.8-37.1175-174.7173.655.800112T185 F377 I380 S381 A428 E429 S430 V436T185-M432 HydrophobicContact CG2-CE 3.65Å; T185-M432 HydrophobicContact CG2-SD 4.3Å; T185-M432 VanDerWaalsContact OG1-CE 3.3Å; T185-M432 WeakPolarHBondContact OG1-CE 3.43Å; F377-M432 HydrophobicContact CB-CG 4.44Å; I380-M432 HydrophobicContact CB-SD 4.33Å; I380-M432 HydrophobicContact CG2-CE 4.49Å; I380-M432 HydrophobicContact CG2-SD 4.05Å; S381-M432 VanDerWaalsContact CA-CE 3.48Å; S381-M432 VanDerWaalsContact CB-CE 3.49Å; A428-M432 WeakPolarHBondContact O-CB 3.23Å; A428-M432 PolarHBondContact O-N 3.2Å; A428-M432 VanDerWaalsContact O-N 3.08Å; E429-M432 PolarHBondContact O-N 3.04Å; S430-M432 VanDerWaalsContact C-N 3.28Å; S430-M432 PolarHBondContact O-N 3.45Å; M432-V436 WeakPolarHBondContact O-CG2 3.38Å; M432-V436 PolarHBondContact O-N 3.2Å; M432-V436 VanDerWaalsContact O-N 3.1Å
433N93Very high93.5Very high58 Ų5846.8 Ų46.831%0.3124%0.243SC..Hα-helixtrans-70.9-35.1174.7-67.4-33.9000112.1S381 E429 S430 V436 S437S381-N433 PolarHBondContact OG-OD1 3.17Å; S381-N433 VanDerWaalsContact OG-OD1 3.07Å; E429-N433 VanDerWaalsContact O-CG 3.3Å; E429-N433 PolarHBondContact O-N 2.99Å; E429-N433 PolarHBondContact O-ND2 2.96Å; E429-N433 VanDerWaalsContact O-ND2 3.16Å; S430-N433 CarbonylContact O-C 3.55Å; S430-N433 WeakPolarHBondContact O-CB 3.45Å; S430-N433 PolarHBondContact O-N 3.37Å; N433-V436 PolarHBondContact O-N 3.45Å; N433-S437 PolarHBondContact O-N 3.27Å; N433-S437 PolarHBondContact O-OG 3.49Å
434D95.1Very high93.5Very high75 Ų7547.4 Ų47.440%0.40125%0.245SC..Hα-helixtrans-64.4-45.3174-64.3-26.5000110.2S430 N431 V436 S437 E438S430-D434 VanDerWaalsContact O-CG 3.24Å; S430-D434 PolarHBondContact O-N 3.49Å; N431-D434 PolarHBondContact O-N 2.86Å; D434-V436 VanDerWaalsContact C-N 3.33Å; D434-V436 PolarHBondContact O-N 2.87Å; D434-S437 CarbonylContact O-C 3.44Å; D434-S437 WeakPolarHBondContact O-CA 3.45Å; D434-S437 WeakPolarHBondContact O-CB 3.41Å; D434-S437 PolarHBondContact O-N 3.04Å; D434-E438 WeakPolarHBondContact O-CG 3.4Å; D434-E438 PolarHBondContact O-N 3.37Å
435L95.5Very high93.3Very high0 Ų046 Ų460%024%0.242CC..Hα-helixtrans-56.6-44.2173-179.969.1000112.4V188 V192 R261 L262 F264 F377 N431 S437 E438 Y439V188-L435 HydrophobicContact CG1-CD2 4.37Å; V192-L435 HydrophobicContact CG2-CD1 4.46Å; V192-L435 HydrophobicContact CG2-CD2 3.84Å; R261-L435 HydrophobicContact CB-CD1 4.45Å; R261-L435 WeakPolarHBondContact O-CD1 3.42Å; L262-L435 HydrophobicContact CD2-CD1 3.77Å; F264-L435 HydrophobicContact CD2-CD2 4.16Å; F264-L435 HydrophobicContact CE2-CD1 4.31Å; F264-L435 HydrophobicContact CE2-CD2 3.75Å; F264-L435 HydrophobicContact CZ-CD2 4.43Å; F377-L435 HydrophobicContact CD1-CD2 4.37Å; F377-L435 HydrophobicContact CD2-CD2 4.09Å; F377-L435 HydrophobicContact CE1-CD2 4.13Å; F377-L435 HydrophobicContact CE2-CD2 3.82Å; F377-L435 HydrophobicContact CG-CD2 4.36Å; F377-L435 HydrophobicContact CZ-CD2 3.85Å; N431-L435 WeakPolarHBondContact O-CB 3.47Å; N431-L435 PolarHBondContact O-N 3.31Å; L435-S437 VanDerWaalsContact C-N 3.28Å; L435-S437 PolarHBondContact O-N 3.39Å; L435-E438 PolarHBondContact O-N 3.26Å; L435-Y439 HydrophobicContact CD1-CD2 4.29Å; L435-Y439 HydrophobicContact CD1-CE2 3.84Å; L435-Y439 HydrophobicContact CD2-CE2 4.4Å; L435-Y439 HydrophobicContact CG-CD2 4.14Å; L435-Y439 HydrophobicContact CG-CE2 3.91Å; L435-Y439 VanDerWaalsContact O-CD2 3.28Å; L435-Y439 WeakPolarHBondContact O-CD2 3.49Å; L435-Y439 PolarHBondContact O-N 3.35Å; L435-Y439 VanDerWaalsContact O-N 3.1Å
436V94.7Very high92.9Very high14 Ų1448.5 Ų48.59%0.08526%0.257CS..Hα-helixtrans-61.5-39.9175.41670000111.2Q374 F377 K378 M432 N433 D434 Y439 Q440Q374-V436 HydrophobicContact CB-CG1 4.41Å; F377-V436 HydrophobicContact CB-CG2 3.56Å; K378-V436 HydrophobicContact CD-CG1 4.27Å; K378-V436 HydrophobicContact CG-CG1 3.87Å; K378-V436 HydrophobicContact CG-CG2 4.31Å; M432-V436 WeakPolarHBondContact O-CG2 3.38Å; M432-V436 PolarHBondContact O-N 3.2Å; M432-V436 VanDerWaalsContact O-N 3.1Å; N433-V436 PolarHBondContact O-N 3.45Å; D434-V436 VanDerWaalsContact C-N 3.33Å; D434-V436 PolarHBondContact O-N 2.87Å; V436-Y439 PolarHBondContact O-N 2.77Å; V436-Q440 WeakPolarHBondContact O-CB 3.5Å; V436-Q440 PolarHBondContact O-N 3.46Å
437S95.5Very high92.2Very high69 Ų6948 Ų4848%0.48325%0.253SS..Hα-helixtrans-68.1-38.9179-55.90000111.8N433 D434 L435 Q440 Q441N433-S437 PolarHBondContact O-N 3.27Å; N433-S437 PolarHBondContact O-OG 3.49Å; D434-S437 CarbonylContact O-C 3.44Å; D434-S437 WeakPolarHBondContact O-CA 3.45Å; D434-S437 WeakPolarHBondContact O-CB 3.41Å; D434-S437 PolarHBondContact O-N 3.04Å; L435-S437 VanDerWaalsContact C-N 3.28Å; L435-S437 PolarHBondContact O-N 3.39Å; S437-Q440 WeakPolarHBondContact O-CB 3.36Å; S437-Q440 PolarHBondContact O-N 2.87Å; S437-Q441 PolarHBondContact O-N 3.1Å
438E95.5Very high90.8Very high45 Ų4550.4 Ų50.421%0.2127%0.265CS..Hα-helixtrans-60.4-48.1173-72.1172.5-135.100111.4R261 L262 D434 L435 Q440 Q441 Y442R261-E438 IonicContact CZ-OE1 3.22Å; R261-E438 VanDerWaalsContact CZ-OE1 3.27Å; R261-E438 IonicContact NE-OE1 3.51Å; R261-E438 PolarHBondContact NE-OE1 3.5Å; R261-E438 IonicContact NE-OE2 2.95Å; R261-E438 PolarHBondContact NE-OE2 3.34Å; R261-E438 IonicContact NH2-OE1 3.24Å; R261-E438 PolarHBondContact NH2-OE1 2.77Å; L262-E438 HydrophobicContact CD2-CB 4.07Å; D434-E438 WeakPolarHBondContact O-CG 3.4Å; D434-E438 PolarHBondContact O-N 3.37Å; L435-E438 PolarHBondContact O-N 3.26Å; E438-Q440 VanDerWaalsContact C-N 3.27Å; E438-Q440 PolarHBondContact O-N 2.99Å; E438-Q441 WeakPolarHBondContact O-CB 3.34Å; E438-Q441 PolarHBondContact O-N 2.83Å; E438-Y442 WeakPolarHBondContact O-CD2 3.4Å; E438-Y442 PolarHBondContact O-N 3.14Å; E438-Y442 VanDerWaalsContact O-N 3.15Å
439Y96.5Very high89.2Confident0 Ų054.8 Ų54.80%029%0.288CS..Hα-helixtrans-58.9-39.4174.5-82.2-63.4000112.4L262 T371 I373 F377 L435 V436 Q443L262-Y439 HydrophobicContact CB-CE1 3.92Å; L262-Y439 HydrophobicContact CD1-CD1 4.14Å; L262-Y439 HydrophobicContact CD1-CE1 4.18Å; L262-Y439 HydrophobicContact CD2-CD1 4Å; L262-Y439 HydrophobicContact CD2-CD2 3.96Å; L262-Y439 HydrophobicContact CD2-CE1 3.81Å; L262-Y439 HydrophobicContact CD2-CE2 3.74Å; L262-Y439 HydrophobicContact CD2-CG 4.08Å; L262-Y439 HydrophobicContact CG-CE1 4.18Å; T371-Y439 HydrophobicContact CG2-CD1 4.19Å; T371-Y439 WeakPolarHBondContact CG2-O 3.43Å; I373-Y439 HydrophobicContact CG2-CD1 4Å; I373-Y439 HydrophobicContact CG2-CD2 4.01Å; I373-Y439 HydrophobicContact CG2-CE1 3.52Å; I373-Y439 HydrophobicContact CG2-CE2 3.55Å; I373-Y439 HydrophobicContact CG2-CG 4.22Å; F377-Y439 HydrophobicContact CD2-CE2 4.34Å; F377-Y439 AromaticContact CE2-CE2 3.95Å; F377-Y439 HydrophobicContact CE2-CE2 3.95Å; L435-Y439 HydrophobicContact CD1-CD2 4.29Å; L435-Y439 HydrophobicContact CD1-CE2 3.84Å; L435-Y439 HydrophobicContact CD2-CE2 4.4Å; L435-Y439 HydrophobicContact CG-CD2 4.14Å; L435-Y439 HydrophobicContact CG-CE2 3.91Å; L435-Y439 VanDerWaalsContact O-CD2 3.28Å; L435-Y439 WeakPolarHBondContact O-CD2 3.49Å; L435-Y439 PolarHBondContact O-N 3.35Å; L435-Y439 VanDerWaalsContact O-N 3.1Å; V436-Y439 PolarHBondContact O-N 2.77Å; Y439-Q443 WeakPolarHBondContact O-CB 3.3Å; Y439-Q443 PolarHBondContact O-N 3.39Å
440Q94.7Very high87.4Confident47 Ų4758.2 Ų58.222%0.2230%0.304CS..Hα-helixtrans-66.1-40.6178-174.460.46700112V436 S437 E438 Q443 E444V436-Q440 WeakPolarHBondContact O-CB 3.5Å; V436-Q440 PolarHBondContact O-N 3.46Å; S437-Q440 WeakPolarHBondContact O-CB 3.36Å; S437-Q440 PolarHBondContact O-N 2.87Å; E438-Q440 VanDerWaalsContact C-N 3.27Å; E438-Q440 PolarHBondContact O-N 2.99Å; Q440-Q443 WeakPolarHBondContact O-CB 3.47Å; Q440-Q443 PolarHBondContact O-N 3.4Å; Q440-E444 VanDerWaalsContact NE2-CD 3.29Å; Q440-E444 PolarHBondContact NE2-OE1 3.22Å; Q440-E444 PolarHBondContact O-N 3.27Å
441Q94.9Very high85.1Confident123 Ų12361 Ų6158%0.57531%0.314SS*.Hα-helixtrans-58.3-51.4176.1179.4-177.2-11.100111S437 E438 Q443 E444 A445S437-Q441 PolarHBondContact O-N 3.1Å; E438-Q441 WeakPolarHBondContact O-CB 3.34Å; E438-Q441 PolarHBondContact O-N 2.83Å; Q441-Q443 VanDerWaalsContact C-N 3.28Å; Q441-Q443 PolarHBondContact O-N 3.07Å; Q441-E444 PolarHBondContact O-N 3.35Å; Q441-A445 PolarHBondContact O-N 3.25Å
442Y93.5Very high82.7Confident50 Ų5068.4 Ų68.420%0.19635%0.346CS..Hα-helixtrans-73.3-18.3179.9-65.3-66.1000114.2F259 L262 W343 E438F259-Y442 HydrophobicContact CD1-CE1 4.43Å; F259-Y442 HydrophobicContact CD1-CE2 4.49Å; F259-Y442 AromaticContact CD1-CZ 3.89Å; F259-Y442 WeakPolarHBondContact CD1-OH 3.23Å; F259-Y442 HydrophobicContact CD2-CD1 4.43Å; F259-Y442 HydrophobicContact CD2-CD2 4.14Å; F259-Y442 HydrophobicContact CD2-CE1 4.12Å; F259-Y442 AromaticContact CD2-CE2 3.78Å; F259-Y442 HydrophobicContact CD2-CE2 3.78Å; F259-Y442 HydrophobicContact CD2-CG 4.44Å; F259-Y442 AromaticContact CD2-CZ 3.76Å; F259-Y442 AromaticContact CE1-CE1 3.74Å; F259-Y442 HydrophobicContact CE1-CE1 3.74Å; F259-Y442 AromaticContact CE1-CZ 3.65Å; F259-Y442 VanDerWaalsContact CE1-OH 3.32Å; F259-Y442 WeakPolarHBondContact CE1-OH 3.43Å; F259-Y442 AromaticContact CE2-CD1 3.54Å; F259-Y442 HydrophobicContact CE2-CD1 3.54Å; F259-Y442 HydrophobicContact CE2-CD2 4.02Å; F259-Y442 AromaticContact CE2-CE1 3.32Å; F259-Y442 HydrophobicContact CE2-CE1 3.32Å; F259-Y442 AromaticContact CE2-CE2 3.81Å; F259-Y442 HydrophobicContact CE2-CE2 3.81Å; F259-Y442 AromaticContact CE2-CG 3.89Å; F259-Y442 HydrophobicContact CE2-CG 3.89Å; F259-Y442 AromaticContact CE2-CZ 3.45Å; F259-Y442 VanDerWaalsContact CE2-CZ 3.45Å; F259-Y442 HydrophobicContact CG-CE2 4.11Å; F259-Y442 AromaticContact CG-CZ 3.95Å; F259-Y442 AromaticContact CZ-CD1 3.73Å; F259-Y442 HydrophobicContact CZ-CD1 3.73Å; F259-Y442 AromaticContact CZ-CE1 3.12Å; F259-Y442 HydrophobicContact CZ-CE1 3.12Å; F259-Y442 HydrophobicContact CZ-CE2 4.25Å; F259-Y442 HydrophobicContact CZ-CG 4.5Å; F259-Y442 AromaticContact CZ-CZ 3.42Å; F259-Y442 VanDerWaalsContact CZ-CZ 3.42Å; L262-Y442 HydrophobicContact CD1-CD2 3.38Å; L262-Y442 HydrophobicContact CD1-CE2 3.66Å; L262-Y442 HydrophobicContact CD1-CG 4.39Å; W343-Y442 HydrophobicContact CH2-CD1 4.32Å; W343-Y442 HydrophobicContact CZ2-CD1 4.19Å; E438-Y442 WeakPolarHBondContact O-CD2 3.4Å; E438-Y442 PolarHBondContact O-N 3.14Å; E438-Y442 VanDerWaalsContact O-N 3.15Å
443Q93.4Very high80.5Confident41 Ų4177 Ų7719%0.19239%0.386CS..Hα-helixtrans-69.7-37.5170.8-171.9174-68.800111.5H306 G307 R308 T371 Y439 Q440 Q441H306-Q443 PolarHBondContact O-NE2 2.83Å; H306-Q443 PolarHBondContact O-OE1 3.32Å; G307-Q443 VanDerWaalsContact CA-OE1 3.27Å; R308-Q443 WeakPolarHBondContact CD-O 3.48Å; T371-Q443 HydrophobicContact CG2-CB 4.03Å; T371-Q443 WeakPolarHBondContact OG1-CG 3.33Å; T371-Q443 PolarHBondContact OG1-OE1 2.8Å; T371-Q443 VanDerWaalsContact OG1-OE1 3.12Å; Y439-Q443 WeakPolarHBondContact O-CB 3.3Å; Y439-Q443 PolarHBondContact O-N 3.39Å; Q440-Q443 WeakPolarHBondContact O-CB 3.47Å; Q440-Q443 PolarHBondContact O-N 3.4Å; Q441-Q443 VanDerWaalsContact C-N 3.28Å; Q441-Q443 PolarHBondContact O-N 3.07Å
444E91.7Very high78.1Confident131 Ų13182.5 Ų82.561%0.61241%0.41SS*.Hα-helixtrans-87.9-20.6-178-69.8173.6-174.800113.1Q440 Q441Q440-E444 VanDerWaalsContact NE2-CD 3.29Å; Q440-E444 PolarHBondContact NE2-OE1 3.22Å; Q440-E444 PolarHBondContact O-N 3.27Å; Q441-E444 PolarHBondContact O-N 3.35Å
445A88.5Confident75.5Confident21 Ų2187.7 Ų87.717%0.17443%0.432CS..  trans-57.1135.5179.100000113.2R308 Q441R308-A445 PolarHBondContact NH1-O 3.13Å; Q441-A445 PolarHBondContact O-N 3.25Å
446T82.6Confident73.1Confident53 Ų5390.7 Ų90.733%0.32546%0.463SS..  trans-121.7162176650000110.6E448 D449T446-E448 PolarHBondContact O-N 2.8Å; T446-D449 PolarHBondContact N-OD2 2.76Å; T446-D449 WeakPolarHBondContact O-CB 3.39Å; T446-D449 PolarHBondContact O-N 3.25Å; T446-D449 VanDerWaalsContact O-N 3.08Å; T446-D449 PolarHBondContact OG1-OD2 3.13Å
447V75.9Confident70.7Confident60 Ų6097.4 Ų97.436%0.36450%0.499SS..G310 helixtrans-59.4-29.9177.5172.50000112E342 W343 D449 E450E342-V447 HydrophobicContact CB-CG2 4.09Å; E342-V447 HydrophobicContact CG-CG2 3.68Å; E342-V447 WeakPolarHBondContact OE1-CG2 3.42Å; E342-V447 PolarHBondContact OE1-N 2.91Å; W343-V447 HydrophobicContact CB-CG2 4.15Å; V447-D449 PolarHBondContact O-N 2.95Å; V447-E450 PolarHBondContact O-N 2.89Å
448E62.9Low68.3Low152 Ų152104.4 Ų104.471%0.7152%0.516SS*.G310 helixtrans-65.6-18.9178.5-64.3-176.6-179.800113T446 F452T446-E448 PolarHBondContact O-N 2.8Å; E448-F452 VanDerWaalsContact O-CD2 3.24Å; E448-F452 WeakPolarHBondContact O-CD2 3.24Å; E448-F452 WeakPolarHBondContact O-CE2 3.44Å
449D60.7Low65.6Low91 Ų91111.4 Ų111.449%0.48755%0.549SS..G310 helixtrans-80.6-21.9-179.8-59.6-55000112.9T446 V447T446-D449 PolarHBondContact N-OD2 2.76Å; T446-D449 WeakPolarHBondContact O-CB 3.39Å; T446-D449 PolarHBondContact O-N 3.25Å; T446-D449 VanDerWaalsContact O-N 3.08Å; T446-D449 PolarHBondContact OG1-OD2 3.13Å; V447-D449 PolarHBondContact O-N 2.95Å
450E52Low62.9Low117 Ų117123.3 Ų123.355%0.54759%0.594SS.*THydrogen-bonded Turntrans-78.4-28.4178.2-74.1-175.7168.900112.7V447 F452V447-E450 PolarHBondContact O-N 2.89Å; E450-F452 PolarHBondContact O-N 2.74Å
451D44.1Very low60.4Low116 Ų116134.1 Ų134.162%0.6264%0.644SS**THydrogen-bonded Turntrans-71.3-12.9-176.6-75.2-28.8000113.6
452F42.3Very low58.7Low173 Ų173134.7 Ų134.776%0.75965%0.648SS**THydrogen-bonded Turntrans-88.6-12.3-178.1-75.2-77.7000115E448 E450E448-F452 VanDerWaalsContact O-CD2 3.24Å; E448-F452 WeakPolarHBondContact O-CD2 3.24Å; E448-F452 WeakPolarHBondContact O-CE2 3.44Å; E450-F452 PolarHBondContact O-N 2.74Å
453E46.8Very low56.9Low181 Ų181139.2 Ų139.285%0.84667%0.672SS**SBendtrans-91.4-15.7-179.3-68.8-167.1167.300113.9
454E43.7Very low54.8Low173 Ų173144.6 Ų144.681%0.80870%0.698SS**SBendtrans-94.5-10.2-178.7-74.3-164.615900115.6
455E41Very low52.7Low184 Ų184145.4 Ų145.486%0.8670%0.703SS**SBendtrans-95.59.6-178.8-72.5-163157.700115.2
456G43.3Very low50.4Low64 Ų64153.2 Ų153.266%0.6674%0.736SS**SBendtrans-94-15.8-170.200000118.6
457D44.8Very low48.3Very low155 Ų155159.9 Ų159.983%0.82976%0.764SS**SBendtrans-122.816.8-162.4-97.3-18.9000116.4
458Y46.3Very low46.3Very low215 Ų215167 Ų16784%0.84379%0.792SS**SBendtrans-125.751.4179.1-64.8-73.3000114.2
459E39Very low45Very low192 Ų192168.2 Ų168.290%0.89780%0.799SS**  trans-161.674164.6-113.3176.6-147.100112.4
460R39.7Very low43.7Very low250 Ų250174.6 Ų174.694%0.94383%0.825SS**  trans-175.584.3157-106.6173.1-165.1-1747.3112.7
461E41.9Very low43Very low275 Ų275179.8 Ų179.8100%1.28585%0.85SS**  trans179.10130.3-99.9-174.1179.900111

Retrieved 461 of 461 residues in 179.4 ms (Link to these results)

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